A0A3Q0KG24_SCHMA Loading...

Putative trim56 protein

AlphaFold DB , UniProt , Accession A0A3Q0KG24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 843 aa.

						>A0A3Q0KG24_SCHMA|A0A3Q0KG24
MLDESCESSDGLDNIFSDDFSKISTLEEAGGLPTLCGICEKPFTNPVILSCLHIFDRECVRNFEKNDSMVPYTKCPRCDTLSGSVRTLEAYDLSVAQTRSEGDGSHKVNGAAVKCSVCTDGNDALYRCLHCAGTLCERCRDIHKVMKVFSNHEILDLTEEEKGNAEILQRNMLNTKPVICTIHPESTFTSFCLQCHIPLCETCFECEHKGHITILLGLVPTHIDSLLSDMVECCRLRQKDFRDSIEMMHSLLSELSSSRDANKSLINKTCKQWITSIERIKDQFIHKNREIHDELEMKIWSRINTMSKTVDHVDFACDFVKVYLKKCSNIEICKLFKNVLACFDKLSKQQVVNDPSAKAVFSPGLSAYDVIHQHFGTFSFTNGLEQDLQQVSNSLLEGFPAPNPHIAVLSSVGDITNDLKQLTLKVDGHMDPDPLSGLDHSVTVHLPPVSLVQQDGTCENINPSAVGNGNINNYISRSSNSGASGRHNSNWCDLNVTLPNLEPSDFLCNVTQVDPIFSNPFITTDNLRAPGSNVSTLDVDSSLILKQKLPVSYNATLYEYSRMRAARCSQMNLLTKWGSLGCELGRLNSPHGFCLGFEEEIVVADTYNHRIQIFTKRGDFVSFFGVSGRVDGLMWYPRKVAIIRQSQRYVVCDRGNERSRMQLFSRSGHFVRRIPIRYIDIVAGLAINQHGHIVAIDSVSPSVFVVSEEGDLIRWFDCSNHMREPSDVAIHGREYYICDFKAHCVIVFQEDGSFIRRIGGESITDFPNGIDVSDHGDVLVGDSHGNRFHIAVFSRSGELLSEFVCNQTKVSRSCCLKITTEGYVVTLARSSNNVLVLNTLYIC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	29.1	Very low	228 Å²	228	141.4 Å²	141.4	100%	1.123	81%	0.814	S	S	*	*				0	100.9	0	-73.6	-111.5	-68	0	0	106.5
2	L	30.8	Very low	29	Very low	147 Å²	147	141.5 Å²	141.5	77%	0.77	81%	0.809	S	S	*	*			cis	-152.8	121.4	14.6	-74.5	155.8	0	0	0	105.7
3	D	31.1	Very low	28.9	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	80%	0.8	S	S	*	*				-179	119	119.9	-91	-13.5	0	0	0	109.2	S5	D3-S5 PolarHBondContact O-N 3.24Å
4	E	27.8	Very low	28.8	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	79%	0.791	S	S	*	*			trans	-69.8	104.3	174.8	-68.3	174.2	151.8	0	0	109
5	S	32.3	Very low	28.8	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	78%	0.78	S	S	*	*			trans	-141.9	72.3	150.8	49.2	0	0	0	0	107.6	D3 E7	D3-S5 PolarHBondContact O-N 3.24Å; S5-E7 PolarHBondContact O-N 3.36Å
6	C	27.4	Very low	28.8	Very low	119 Å²	119	139.9 Å²	139.9	80%	0.804	78%	0.776	S	S	*	*			trans	-65.8	104	177.2	-70.7	0	0	0	0	110.5
7	E	26.6	Very low	28.7	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	77%	0.766	S	S	*	*				40.8	85.3	123.1	-63.4	-177.7	171.2	0	0	116.3	S5 S9	S5-E7 PolarHBondContact O-N 3.36Å; E7-S9 PolarHBondContact O-N 2.8Å
8	S	28.1	Very low	28.6	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	76%	0.763	S	S	*	*			trans	-64.2	104.8	149.2	52.7	0	0	0	0	109.3	D10	S8-D10 VanDerWaalsContact C-N 3.32Å
9	S	30.3	Very low	28.5	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	75%	0.75	S	S	*	*			trans	-91.4	11.7	169.1	43.5	0	0	0	0	113.4	E7 G11	E7-S9 PolarHBondContact O-N 2.8Å; S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 2.98Å; S9-G11 VanDerWaalsContact O-N 3.11Å
10	D	27.7	Very low	28.6	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	74%	0.743	S	S	*	*			trans	-87	67.3	171.9	-70.1	-25.2	0	0	0	110.9	S8	S8-D10 VanDerWaalsContact C-N 3.32Å
11	G	28.1	Very low	28.6	Very low	55 Å²	55	133.1 Å²	133.1	57%	0.567	74%	0.741	S	S	*	*			trans	-111.5	-7.1	177.3	0	0	0	0	0	115.4	S9	S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 2.98Å; S9-G11 VanDerWaalsContact O-N 3.11Å
12	L	28.5	Very low	28.5	Very low	143 Å²	143	129.7 Å²	129.7	75%	0.749	72%	0.72	S	S	*	*	S	Bend	trans	-107.9	-26.4	-175.4	-108.4	91.6	0	0	0	115.4
13	D	28.2	Very low	28.4	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-9.4	-172.8	-78.8	-17.4	0	0	0	114.5
14	N	26.8	Very low	28.4	Very low	125 Å²	125	124.7 Å²	124.7	67%	0.668	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-0.4	176.3	-77.6	-22.9	0	0	0	114.4
15	I	28.6	Very low	28.4	Very low	122 Å²	122	120.3 Å²	120.3	63%	0.626	69%	0.685	S	S	*	*	S	Bend	trans	-85.5	-22.6	175.6	-61.5	175.7	0	0	0	111.6
16	F	28.6	Very low	28.4	Very low	162 Å²	162	123 Å²	123	71%	0.711	69%	0.69	S	S	*	*	S	Bend	trans	-101.5	4.5	-176.6	-70.4	-74.1	0	0	0	114.7
17	S	27.3	Very low	28.5	Very low	87 Å²	87	124.3 Å²	124.3	61%	0.608	68%	0.684	S	S	*	*			trans	-99.8	-2	-178.8	-60.6	0	0	0	0	114.1	D19	S17-D19 PolarHBondContact O-N 3.03Å
18	D	28	Very low	28.8	Very low	133 Å²	133	125 Å²	125	71%	0.711	69%	0.688	S	S	*	*	S	Bend	trans	-84.6	101.8	170.5	-81	-21.9	0	0	0	110.1	F20	D18-F20 PolarHBondContact O-N 2.94Å
19	D	25.4	Very low	29.4	Very low	96 Å²	96	123.3 Å²	123.3	51%	0.513	68%	0.681	S	S	.	*			trans	-3.8	85.9	156.5	-81.8	-27.7	0	0	0	115.1	S17 S21 K22	S17-D19 PolarHBondContact O-N 3.03Å; D19-S21 PolarHBondContact O-N 3.18Å; D19-S21 VanDerWaalsContact O-N 3.07Å; D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 HydrophobicContact CB-CD 4.42Å; D19-K22 HydrophobicContact CB-CG 4.3Å; D19-K22 PolarHBondContact O-N 3.36Å; D19-K22 IonicContact OD2-NZ 3.58Å
20	F	30.1	Very low	30.1	Very low	140 Å²	140	122 Å²	122	61%	0.614	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-63	-9.8	165.4	-82.6	-83.3	0	0	0	112.5	D18 K22 I23	D18-F20 PolarHBondContact O-N 2.94Å; F20-K22 PolarHBondContact O-N 3.06Å; F20-I23 HydrophobicContact CD1-CD1 4.28Å
21	S	30.5	Very low	31.6	Very low	101 Å²	101	116.9 Å²	116.9	71%	0.706	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-76.1	-3.8	168.3	49.3	0	0	0	0	114.2	D19	D19-S21 PolarHBondContact O-N 3.18Å; D19-S21 VanDerWaalsContact O-N 3.07Å
22	K	26.3	Very low	33.6	Very low	156 Å²	156	118 Å²	118	68%	0.678	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-107.1	22.9	171.2	-75.7	-176.4	-174.2	161.5	0	113.6	D19 F20 S24	D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 HydrophobicContact CB-CD 4.42Å; D19-K22 HydrophobicContact CB-CG 4.3Å; D19-K22 PolarHBondContact O-N 3.36Å; D19-K22 IonicContact OD2-NZ 3.58Å; F20-K22 PolarHBondContact O-N 3.06Å; K22-S24 PolarHBondContact O-N 3.4Å
23	I	29.3	Very low	35.7	Very low	124 Å²	124	114 Å²	114	64%	0.636	64%	0.641	S	S	*	*	S	Bend	trans	-67	78.2	143.1	-57.9	171.5	0	0	0	104.6	F20 T25	F20-I23 HydrophobicContact CD1-CD1 4.28Å; I23-T25 PolarHBondContact O-N 3.09Å
24	S	29.7	Very low	38	Very low	75 Å²	75	110.3 Å²	110.3	52%	0.524	62%	0.623	S	S	.	*			trans	-41	117	160.7	49.2	0	0	0	0	104.5	K22 L26	K22-S24 PolarHBondContact O-N 3.4Å; S24-L26 PolarHBondContact O-N 3.38Å
25	T	28.2	Very low	40.7	Very low	100 Å²	100	108.9 Å²	108.9	61%	0.613	62%	0.615	S	S	*	*			trans	-30.2	93.8	153.4	38.7	0	0	0	0	107.1	I23 E27	I23-T25 PolarHBondContact O-N 3.09Å; T25-E27 HydrophobicContact CG2-CG 4.31Å; T25-E27 PolarHBondContact O-N 3.05Å
26	L	31.9	Very low	43.2	Very low	167 Å²	167	103.1 Å²	103.1	87%	0.874	59%	0.585	S	S	*	*			trans	-71.7	50.5	162.1	-112.7	95.7	0	0	0	105.8	S24 E28	S24-L26 PolarHBondContact O-N 3.38Å; L26-E28 PolarHBondContact O-N 3.18Å
27	E	29.9	Very low	45.6	Very low	147 Å²	147	97.5 Å²	97.5	69%	0.687	57%	0.573	S	S	*	*			trans	-71.6	104.9	165.2	-78.8	178.4	167.3	0	0	104.4	T25 A29	T25-E27 HydrophobicContact CG2-CG 4.31Å; T25-E27 PolarHBondContact O-N 3.05Å; E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 2.7Å
28	E	33.8	Very low	48.2	Very low	190 Å²	190	96.4 Å²	96.4	89%	0.888	56%	0.56	S	S	*	*			trans	56.9	33.4	144.4	-59.1	-174.4	155.4	0	0	117.5	L26 G30	L26-E28 PolarHBondContact O-N 3.18Å; E28-G30 PolarHBondContact O-N 3.33Å
29	A	39.8	Very low	50.7	Low	82 Å²	82	92 Å²	92	68%	0.678	54%	0.538	S	S	*	.			trans	-73.6	62.9	152.6	0	0	0	0	0	109	E27 G31	E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 2.7Å; A29-G31 PolarHBondContact O-N 3.46Å
30	G	45.8	Very low	53.4	Low	85 Å²	85	95.1 Å²	95.1	88%	0.876	55%	0.55	S	S	*	*			trans	-69.4	41	-176	0	0	0	0	0	114.6	E28	E28-G30 PolarHBondContact O-N 3.33Å
31	G	58.1	Low	55.9	Low	33 Å²	33	94.9 Å²	94.9	34%	0.34	55%	0.549	S	S	.	.	S	Bend	trans	-141	156.8	175	0	0	0	0	0	111.8	A29	A29-G31 PolarHBondContact O-N 3.46Å
32	L	71	Confident	58.3	Low	78 Å²	78	94.2 Å²	94.2	41%	0.408	54%	0.542	S	S	.	.			trans	-54.1	145.5	174.2	-72.7	154	0	0	0	110.9	Y91 V95 A96	L32-Y91 VanDerWaalsContact CB-OH 3.31Å; L32-Y91 WeakPolarHBondContact CB-OH 3.5Å; L32-Y91 WeakPolarHBondContact CD1-OH 3.31Å; L32-V95 HydrophobicContact CD1-CB 4.26Å; L32-V95 HydrophobicContact CD1-CG1 3.59Å; L32-A96 HydrophobicContact CB-CB 3.92Å
33	P	73.5	Confident	60.9	Low	60 Å²	60	87.5 Å²	87.5	39%	0.39	51%	0.513	S	S	.	.			trans	-63.1	140.4	-179	26.9	-33.9	0	0	0	110.7	F43 I54	P33-F43 HydrophobicContact CB-CE2 4.32Å; P33-F43 WeakPolarHBondContact O-CE2 3.3Å; P33-I54 HydrophobicContact CG-CB 4.41Å; P33-I54 HydrophobicContact CG-CD1 3.75Å
34	T	76.6	Confident	63.3	Low	54 Å²	54	87.4 Å²	87.4	33%	0.331	52%	0.518	S	S	.	.			trans	-109.8	-8	173.5	54.9	0	0	0	0	112.9	P42 F43 A96	T34-P42 WeakPolarHBondContact O-CA 3.06Å; T34-F43 VanDerWaalsContact O-CD2 3.28Å; T34-F43 WeakPolarHBondContact O-CD2 3.09Å; T34-F43 PolarHBondContact O-N 3.08Å; T34-A96 HydrophobicContact CG2-CB 4.16Å
35	L	82.4	Confident	65.7	Low	94 Å²	94	87.7 Å²	87.7	49%	0.492	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-118.8	142.8	-178.3	-57	174.1	0	0	0	110.1	K41 P42 F43	L35-K41 WeakPolarHBondContact CA-O 3.37Å; L35-P42 HydrophobicContact CD2-CB 4.24Å; L35-F43 VanDerWaalsContact C-CZ 3.41Å; L35-F43 WeakPolarHBondContact O-CE2 3.45Å; L35-F43 WeakPolarHBondContact O-CZ 3.36Å
36	C	80.7	Confident	68.3	Low	1 Å²	1	83.2 Å²	83.2	1%	0.007	49%	0.487	C	S	.	.			trans	-73.7	127.8	174.7	176.7	0	0	0	0	111.2	I38 C39 E40 K41 F43 D56	C36-I38 PolarHBondContact O-N 3.43Å; C36-I38 VanDerWaalsContact O-N 3.14Å; C36-C39 WeakPolarHBondContact CB-SG 3.5Å; C36-C39 VanDerWaalsContact SG-SG 3.67Å; C36-E40 WeakPolarHBondContact O-CA 3.44Å; C36-E40 PolarHBondContact O-N 3.02Å; C36-K41 PolarHBondContact N-O 3.03Å; C36-F43 HydrophobicContact CB-CD1 3.8Å; C36-F43 HydrophobicContact CB-CE1 3.54Å; C36-F43 HydrophobicContact CB-CZ 4.42Å; C36-D56 HydrophobicContact CB-CB 4.47Å; C36-D56 PolarHBondContact SG-N 3.3Å; C36-D56 VanDerWaalsContact SG-N 3.38Å
37	G	79.6	Confident	70.7	Confident	44 Å²	44	75.3 Å²	75.3	45%	0.454	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.3	179.5	0	0	0	0	0	115.9
38	I	81.4	Confident	73.2	Confident	65 Å²	65	70.3 Å²	70.3	33%	0.333	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-43.7	178.4	-61.7	163.9	0	0	0	111.4	C36 F55 C59 P76	C36-I38 PolarHBondContact O-N 3.43Å; C36-I38 VanDerWaalsContact O-N 3.14Å; I38-F55 HydrophobicContact CD1-CB 4.19Å; I38-F55 HydrophobicContact CD1-CD1 3.59Å; I38-F55 HydrophobicContact CD1-CE1 4.15Å; I38-F55 HydrophobicContact CD1-CG 3.98Å; I38-F55 HydrophobicContact CG1-CD1 3.61Å; I38-F55 HydrophobicContact CG1-CE1 3.87Å; I38-F55 HydrophobicContact CG1-CG 4.49Å; I38-C59 HydrophobicContact CB-CB 3.87Å; I38-C59 HydrophobicContact CD1-CB 3.77Å; I38-C59 HydrophobicContact CG1-CB 4.43Å; I38-C59 HydrophobicContact CG2-CB 3.93Å; I38-P76 HydrophobicContact CD1-CG 4.1Å
39	C	81.7	Confident	75.6	Confident	39 Å²	39	61.5 Å²	61.5	26%	0.264	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-5.1	-176.6	68.8	0	0	0	0	114	C36 K41 C59	C36-C39 WeakPolarHBondContact CB-SG 3.5Å; C36-C39 VanDerWaalsContact SG-SG 3.67Å; C39-K41 WeakPolarHBondContact O-CG 3.29Å; C39-K41 PolarHBondContact O-N 3.41Å; C39-C59 VanDerWaalsContact CB-SG 3.59Å
40	E	81.9	Confident	77.4	Confident	162 Å²	162	61.4 Å²	61.4	76%	0.757	38%	0.376	S	S	*	.			trans	55.7	16	-178.3	-58.3	-176.7	170.3	0	0	114.7	C36	C36-E40 WeakPolarHBondContact O-CA 3.44Å; C36-E40 PolarHBondContact O-N 3.02Å
41	K	82.8	Confident	79.2	Confident	136 Å²	136	58.9 Å²	58.9	59%	0.591	35%	0.345	S	S	*	.	S	Bend	trans	-97.1	156	178.4	-69.8	169.1	-172.2	-180	0	110.9	L35 C36 C39 F43	L35-K41 WeakPolarHBondContact CA-O 3.37Å; C36-K41 PolarHBondContact N-O 3.03Å; C39-K41 WeakPolarHBondContact O-CG 3.29Å; C39-K41 PolarHBondContact O-N 3.41Å; K41-F43 PolarHBondContact O-N 3.2Å
42	P	80.7	Confident	80.4	Confident	87 Å²	87	63.6 Å²	63.6	57%	0.565	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-56.3	138.8	169.1	24.8	-33.9	0	0	0	110.1	T34 L35 T44	T34-P42 WeakPolarHBondContact O-CA 3.06Å; L35-P42 HydrophobicContact CD2-CB 4.24Å; P42-T44 PolarHBondContact O-N 2.83Å
43	F	79.5	Confident	80.9	Confident	15 Å²	15	62.3 Å²	62.3	7%	0.066	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-57.7	129.5	-176.5	-71.3	-60.2	0	0	0	111.7	P33 T34 L35 C36 K41 P46 I54 L93	P33-F43 HydrophobicContact CB-CE2 4.32Å; P33-F43 WeakPolarHBondContact O-CE2 3.3Å; T34-F43 VanDerWaalsContact O-CD2 3.28Å; T34-F43 WeakPolarHBondContact O-CD2 3.09Å; T34-F43 PolarHBondContact O-N 3.08Å; L35-F43 VanDerWaalsContact C-CZ 3.41Å; L35-F43 WeakPolarHBondContact O-CE2 3.45Å; L35-F43 WeakPolarHBondContact O-CZ 3.36Å; C36-F43 HydrophobicContact CB-CD1 3.8Å; C36-F43 HydrophobicContact CB-CE1 3.54Å; C36-F43 HydrophobicContact CB-CZ 4.42Å; K41-F43 PolarHBondContact O-N 3.2Å; F43-P46 HydrophobicContact CB-CB 3.88Å; F43-P46 HydrophobicContact CB-CG 3.84Å; F43-P46 HydrophobicContact CD1-CB 3.61Å; F43-P46 HydrophobicContact CD1-CG 4.5Å; F43-P46 HydrophobicContact CD2-CB 4.38Å; F43-P46 HydrophobicContact CE1-CB 4.16Å; F43-P46 HydrophobicContact CG-CB 3.72Å; F43-P46 HydrophobicContact CG-CG 4.17Å; F43-I54 HydrophobicContact CE1-CG2 3.84Å; F43-I54 HydrophobicContact CE2-CG2 3.94Å; F43-I54 HydrophobicContact CZ-CB 3.99Å; F43-I54 HydrophobicContact CZ-CG2 3.51Å; F43-L93 HydrophobicContact CB-CD1 4.19Å; F43-L93 HydrophobicContact CB-CD2 3.94Å; F43-L93 HydrophobicContact CB-CG 4.46Å; F43-L93 HydrophobicContact CD2-CD2 4.26Å
44	T	80.1	Confident	81.5	Confident	121 Å²	121	60.1 Å²	60.1	74%	0.742	34%	0.338	S	S	*	.	S	Bend	trans	-106.3	-33.8	178.2	52.6	0	0	0	0	111.5	P42 D56	P42-T44 PolarHBondContact O-N 2.83Å; T44-D56 PolarHBondContact N-OD1 3.29Å; T44-D56 PolarHBondContact OG1-OD1 3.1Å; T44-D56 PolarHBondContact OG1-OD2 3.39Å
45	N	79.5	Confident	81.9	Confident	81 Å²	81	57.8 Å²	57.8	43%	0.433	32%	0.323	S	S	.	.	S	Bend	trans	-155.9	75.4	174.9	-173.7	5	0	0	0	109.3	D56 R57	N45-D56 VanDerWaalsContact C-OD1 3.29Å; N45-D56 PolarHBondContact N-OD1 2.99Å; N45-R57 PolarHBondContact O-N 2.99Å
46	P	82.9	Confident	82	Confident	7 Å²	7	53.6 Å²	53.6	5%	0.045	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.3	-172.3	31.3	-33.9	0	0	0	112.7	F43 I54 F55 Y91 L93	F43-P46 HydrophobicContact CB-CB 3.88Å; F43-P46 HydrophobicContact CB-CG 3.84Å; F43-P46 HydrophobicContact CD1-CB 3.61Å; F43-P46 HydrophobicContact CD1-CG 4.5Å; F43-P46 HydrophobicContact CD2-CB 4.38Å; F43-P46 HydrophobicContact CE1-CB 4.16Å; F43-P46 HydrophobicContact CG-CB 3.72Å; F43-P46 HydrophobicContact CG-CG 4.17Å; P46-I54 HydrophobicContact CB-CG2 3.8Å; P46-F55 CarbonylContact C-O 3.51Å; P46-F55 WeakPolarHBondContact CA-O 3.37Å; P46-Y91 HydrophobicContact CB-CD1 4.13Å; P46-Y91 HydrophobicContact CG-CD1 3.94Å; P46-Y91 HydrophobicContact CG-CG 4.48Å; P46-Y91 WeakPolarHBondContact CG-O 3.5Å; P46-Y91 PolarHBondContact O-N 3.31Å; P46-L93 HydrophobicContact CG-CD1 3.98Å; P46-L93 HydrophobicContact CG-CG 4.1Å
47	V	82.7	Confident	82.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.7	171	-69.9	0	0	0	0	109.6	I54 F55 R57 V60 L88 E89	V47-I54 WeakPolarHBondContact O-CA 3.27Å; V47-F55 VanDerWaalsContact CG2-O 3.29Å; V47-F55 WeakPolarHBondContact CG2-O 3.47Å; V47-F55 PolarHBondContact N-O 3.35Å; V47-F55 PolarHBondContact O-N 3.29Å; V47-F55 VanDerWaalsContact O-N 3.1Å; V47-R57 HydrophobicContact CG1-CB 3.83Å; V47-R57 HydrophobicContact CG1-CG 3.93Å; V47-R57 HydrophobicContact CG2-CB 4.39Å; V47-V60 HydrophobicContact CG2-CG2 4.16Å; V47-L88 HydrophobicContact CB-CB 4.1Å; V47-L88 HydrophobicContact CB-CD1 4.31Å; V47-L88 HydrophobicContact CG1-CB 4.28Å; V47-L88 HydrophobicContact CG2-CD1 4.05Å; V47-E89 WeakPolarHBondContact CA-O 3.11Å
48	I	83.3	Confident	82.2	Confident	42 Å²	42	58.3 Å²	58.3	22%	0.215	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.4	174.3	-171.3	164.8	0	0	0	110	L52 I54 E89 Y91	I48-L52 HydrophobicContact CD1-CD2 4.14Å; I48-I54 HydrophobicContact CB-CG1 4.4Å; I48-I54 HydrophobicContact CD1-CG1 4.42Å; I48-I54 HydrophobicContact CG1-CG1 4.21Å; I48-E89 HydrophobicContact CG2-CB 3.92Å; I48-E89 PolarHBondContact N-O 3.19Å; I48-E89 VanDerWaalsContact N-O 3.07Å; I48-Y91 HydrophobicContact CD1-CD2 4.48Å
49	L	82.7	Confident	82.4	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.299	C	S	.	.			trans	-85.9	165.5	175.8	-64.2	-178.3	0	0	0	111.3	C51 L52 H53 F55 C75 S82 L88	L49-C51 PolarHBondContact O-N 3.2Å; L49-L52 WeakPolarHBondContact O-CA 3.36Å; L49-L52 PolarHBondContact O-N 3.13Å; L49-H53 PolarHBondContact N-O 2.85Å; L49-F55 HydrophobicContact CD1-CD2 3.78Å; L49-F55 HydrophobicContact CD1-CE2 3.74Å; L49-F55 HydrophobicContact CG-CD2 4.33Å; L49-C75 HydrophobicContact CD1-CB 3.83Å; L49-S82 WeakPolarHBondContact CB-OG 3.5Å; L49-L88 HydrophobicContact CD2-CD1 3.52Å; L49-L88 HydrophobicContact CD2-CD2 3.9Å; L49-L88 HydrophobicContact CD2-CG 4.36Å
50	S	79.3	Confident	82.4	Confident	81 Å²	81	54.4 Å²	54.4	57%	0.566	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.9	176.5	61.1	0	0	0	0	112.8	L52 L81 S82	S50-L52 VanDerWaalsContact C-N 3.25Å; S50-L52 PolarHBondContact O-N 3.04Å; S50-L81 PolarHBondContact OG-O 3.24Å; S50-S82 PolarHBondContact N-OG 3.4Å; S50-S82 VanDerWaalsContact N-OG 3.1Å; S50-S82 PolarHBondContact OG-OG 3.01Å
51	C	81.9	Confident	82.3	Confident	31 Å²	31	52 Å²	52	21%	0.209	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	9.3	173.1	61.9	0	0	0	0	114.3	L49 H53 C75 C78 T80	L49-C51 PolarHBondContact O-N 3.2Å; C51-H53 PolarHBondContact O-N 2.95Å; C51-H53 VanDerWaalsContact O-N 3.15Å; C51-H53 PolarHBondContact SG-ND1 3.48Å; C51-C75 PolarHBondContact SG-SG 3.38Å; C51-C78 VanDerWaalsContact CB-SG 3.52Å; C51-T80 HydrophobicContact CB-CG2 4.34Å
52	L	83.2	Confident	82	Confident	133 Å²	133	48.8 Å²	48.8	70%	0.696	26%	0.261	S	S	*	.	S	Bend	trans	66.1	5.4	-179.3	-51	176.1	0	0	0	115.7	I48 L49 S50	I48-L52 HydrophobicContact CD1-CD2 4.14Å; L49-L52 WeakPolarHBondContact O-CA 3.36Å; L49-L52 PolarHBondContact O-N 3.13Å; S50-L52 VanDerWaalsContact C-N 3.25Å; S50-L52 PolarHBondContact O-N 3.04Å
53	H	83	Confident	81.7	Confident	51 Å²	51	49.9 Å²	49.9	24%	0.236	26%	0.257	C	S	.	.			trans	-74.2	140.8	169.4	-70.3	126.6	0	0	0	111.5	L49 C51 F55 C75	L49-H53 PolarHBondContact N-O 2.85Å; C51-H53 PolarHBondContact O-N 2.95Å; C51-H53 VanDerWaalsContact O-N 3.15Å; C51-H53 PolarHBondContact SG-ND1 3.48Å; H53-F55 HydrophobicContact CB-CD2 4.37Å; H53-F55 HydrophobicContact CB-CE2 3.57Å; H53-F55 HydrophobicContact CB-CZ 4.14Å; H53-C75 PolarHBondContact ND1-SG 3.1Å
54	I	84.6	Confident	81.1	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.7	-173.9	-56.7	157.6	0	0	0	109.7	P33 F43 P46 V47 I48 Y91	P33-I54 HydrophobicContact CG-CB 4.41Å; P33-I54 HydrophobicContact CG-CD1 3.75Å; F43-I54 HydrophobicContact CE1-CG2 3.84Å; F43-I54 HydrophobicContact CE2-CG2 3.94Å; F43-I54 HydrophobicContact CZ-CB 3.99Å; F43-I54 HydrophobicContact CZ-CG2 3.51Å; P46-I54 HydrophobicContact CB-CG2 3.8Å; V47-I54 WeakPolarHBondContact O-CA 3.27Å; I48-I54 HydrophobicContact CB-CG1 4.4Å; I48-I54 HydrophobicContact CD1-CG1 4.42Å; I48-I54 HydrophobicContact CG1-CG1 4.21Å; I54-Y91 HydrophobicContact CD1-CD1 4.17Å; I54-Y91 HydrophobicContact CD1-CD2 3.61Å; I54-Y91 HydrophobicContact CD1-CE1 3.94Å; I54-Y91 HydrophobicContact CD1-CE2 3.36Å; I54-Y91 HydrophobicContact CD1-CG 4.01Å; I54-Y91 HydrophobicContact CG1-CD2 4.04Å; I54-Y91 HydrophobicContact CG1-CE2 4.28Å; I54-Y91 HydrophobicContact CG1-CG 4.23Å; I54-Y91 HydrophobicContact CG2-CD1 3.83Å; I54-Y91 HydrophobicContact CG2-CD2 4.49Å; I54-Y91 HydrophobicContact CG2-CE1 4.45Å; I54-Y91 HydrophobicContact CG2-CG 3.85Å
55	F	86.3	Confident	80.1	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.2	-179.6	-61.5	-76.6	0	0	0	110.3	I38 P46 V47 L49 H53 R57 V60 P76 R77	I38-F55 HydrophobicContact CD1-CB 4.19Å; I38-F55 HydrophobicContact CD1-CD1 3.59Å; I38-F55 HydrophobicContact CD1-CE1 4.15Å; I38-F55 HydrophobicContact CD1-CG 3.98Å; I38-F55 HydrophobicContact CG1-CD1 3.61Å; I38-F55 HydrophobicContact CG1-CE1 3.87Å; I38-F55 HydrophobicContact CG1-CG 4.49Å; P46-F55 CarbonylContact C-O 3.51Å; P46-F55 WeakPolarHBondContact CA-O 3.37Å; V47-F55 VanDerWaalsContact CG2-O 3.29Å; V47-F55 WeakPolarHBondContact CG2-O 3.47Å; V47-F55 PolarHBondContact N-O 3.35Å; V47-F55 PolarHBondContact O-N 3.29Å; V47-F55 VanDerWaalsContact O-N 3.1Å; L49-F55 HydrophobicContact CD1-CD2 3.78Å; L49-F55 HydrophobicContact CD1-CE2 3.74Å; L49-F55 HydrophobicContact CG-CD2 4.33Å; H53-F55 HydrophobicContact CB-CD2 4.37Å; H53-F55 HydrophobicContact CB-CE2 3.57Å; H53-F55 HydrophobicContact CB-CZ 4.14Å; F55-R57 PolarHBondContact O-N 3.37Å; F55-V60 HydrophobicContact CB-CG2 3.42Å; F55-V60 VanDerWaalsContact CB-CG2 3.42Å; F55-V60 HydrophobicContact CD2-CG2 4.35Å; F55-V60 HydrophobicContact CG-CG2 4.15Å; F55-P76 HydrophobicContact CZ-CB 4.48Å; F55-P76 HydrophobicContact CZ-CG 4.38Å; F55-R77 HydrophobicContact CZ-CB 4.44Å; F55-R77 HydrophobicContact CZ-CG 4.03Å
56	D	84.9	Confident	78.8	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.032	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.3	169	-88.9	-34.9	0	0	0	110.3	C36 T44 N45 E58 C59 V60	C36-D56 HydrophobicContact CB-CB 4.47Å; C36-D56 PolarHBondContact SG-N 3.3Å; C36-D56 VanDerWaalsContact SG-N 3.38Å; T44-D56 PolarHBondContact N-OD1 3.29Å; T44-D56 PolarHBondContact OG1-OD1 3.1Å; T44-D56 PolarHBondContact OG1-OD2 3.39Å; N45-D56 VanDerWaalsContact C-OD1 3.29Å; N45-D56 PolarHBondContact N-OD1 2.99Å; D56-E58 PolarHBondContact O-N 3.09Å; D56-E58 VanDerWaalsContact O-N 3.15Å; D56-C59 HydrophobicContact CB-CB 4.16Å; D56-C59 WeakPolarHBondContact O-CA 3.34Å; D56-C59 WeakPolarHBondContact O-CB 3.4Å; D56-C59 PolarHBondContact O-N 3.1Å; D56-V60 PolarHBondContact O-N 3.42Å
57	R	82.8	Confident	77.1	Confident	53 Å²	53	62.5 Å²	62.5	20%	0.2	31%	0.312	C	S	.	.	H	α-helix	trans	-53.8	-39.1	-178.1	-167.4	175.9	-120.1	130.8	-1.2	112.7	N45 V47 F55 R61 V85 L88	N45-R57 PolarHBondContact O-N 2.99Å; V47-R57 HydrophobicContact CG1-CB 3.83Å; V47-R57 HydrophobicContact CG1-CG 3.93Å; V47-R57 HydrophobicContact CG2-CB 4.39Å; F55-R57 PolarHBondContact O-N 3.37Å; R57-R61 WeakPolarHBondContact O-CB 3.25Å; R57-R61 PolarHBondContact O-N 3.36Å; R57-R61 VanDerWaalsContact O-N 3.08Å; R57-V85 HydrophobicContact CG-CG1 3.83Å; R57-V85 PolarHBondContact NE-O 3Å; R57-L88 PolarHBondContact NH2-O 2.85Å
58	E	82	Confident	75.6	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-73.1	-29.2	178.7	-169.9	53	-147.4	0	0	112.3	D56 R61 N62	D56-E58 PolarHBondContact O-N 3.09Å; D56-E58 VanDerWaalsContact O-N 3.15Å; E58-R61 IonicContact OE2-CZ 3.42Å; E58-R61 IonicContact OE2-NH1 3.95Å; E58-R61 PolarHBondContact OE2-NH1 3.01Å; E58-N62 WeakPolarHBondContact O-CB 3.44Å; E58-N62 PolarHBondContact O-N 2.96Å; E58-N62 PolarHBondContact O-ND2 3.36Å; E58-N62 PolarHBondContact OE1-ND2 2.98Å
59	C	84.4	Confident	74.1	Confident	19 Å²	19	74.2 Å²	74.2	13%	0.128	38%	0.38	C	S	.	.	H	α-helix	trans	-70.7	-42.9	174.6	-66.2	0	0	0	0	111.8	I38 C39 D56 N62 F63	I38-C59 HydrophobicContact CB-CB 3.87Å; I38-C59 HydrophobicContact CD1-CB 3.77Å; I38-C59 HydrophobicContact CG1-CB 4.43Å; I38-C59 HydrophobicContact CG2-CB 3.93Å; C39-C59 VanDerWaalsContact CB-SG 3.59Å; D56-C59 HydrophobicContact CB-CB 4.16Å; D56-C59 WeakPolarHBondContact O-CA 3.34Å; D56-C59 WeakPolarHBondContact O-CB 3.4Å; D56-C59 PolarHBondContact O-N 3.1Å; C59-N62 PolarHBondContact O-N 3.45Å; C59-F63 PolarHBondContact O-N 3.01Å
60	V	81.7	Confident	72.8	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.018	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-44.8	174.7	-177.2	0	0	0	0	110.6	V47 F55 D56 N62 F63 E64 T73 V85	V47-V60 HydrophobicContact CG2-CG2 4.16Å; F55-V60 HydrophobicContact CB-CG2 3.42Å; F55-V60 VanDerWaalsContact CB-CG2 3.42Å; F55-V60 HydrophobicContact CD2-CG2 4.35Å; F55-V60 HydrophobicContact CG-CG2 4.15Å; D56-V60 PolarHBondContact O-N 3.42Å; V60-N62 VanDerWaalsContact C-N 3.31Å; V60-N62 PolarHBondContact O-N 2.95Å; V60-F63 WeakPolarHBondContact O-CB 3.35Å; V60-F63 PolarHBondContact O-N 3.42Å; V60-F63 VanDerWaalsContact O-N 3.17Å; V60-E64 PolarHBondContact O-N 2.91Å; V60-T73 HydrophobicContact CG1-CG2 3.92Å; V60-V85 HydrophobicContact CG1-CG2 4.02Å
61	R	79.4	Confident	72	Confident	111 Å²	111	78 Å²	78	42%	0.419	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-40	176.3	-177.7	-177	-76.5	142.4	-7.6	112.5	R57 E58 V85	R57-R61 WeakPolarHBondContact O-CB 3.25Å; R57-R61 PolarHBondContact O-N 3.36Å; R57-R61 VanDerWaalsContact O-N 3.08Å; E58-R61 IonicContact OE2-CZ 3.42Å; E58-R61 IonicContact OE2-NH1 3.95Å; E58-R61 PolarHBondContact OE2-NH1 3.01Å; R61-V85 HydrophobicContact CB-CG1 4.49Å
62	N	77	Confident	71.5	Confident	69 Å²	69	82.1 Å²	82.1	37%	0.369	41%	0.413	S	S	.	.	H	α-helix	trans	-72.7	-29.9	178.1	-76.7	-49.4	0	0	0	112.7	E58 C59 V60 K65	E58-N62 WeakPolarHBondContact O-CB 3.44Å; E58-N62 PolarHBondContact O-N 2.96Å; E58-N62 PolarHBondContact O-ND2 3.36Å; E58-N62 PolarHBondContact OE1-ND2 2.98Å; C59-N62 PolarHBondContact O-N 3.45Å; V60-N62 VanDerWaalsContact C-N 3.31Å; V60-N62 PolarHBondContact O-N 2.95Å; N62-K65 PolarHBondContact O-N 3.48Å; N62-K65 WeakPolarHBondContact OD1-CE 3.4Å; N62-K65 PolarHBondContact OD1-NZ 3.43Å
63	F	73.9	Confident	71	Confident	110 Å²	110	75.8 Å²	75.8	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-36.8	173.6	-173.6	-99	0	0	0	112.3	C59 V60 K65 P76	C59-F63 PolarHBondContact O-N 3.01Å; V60-F63 WeakPolarHBondContact O-CB 3.35Å; V60-F63 PolarHBondContact O-N 3.42Å; V60-F63 VanDerWaalsContact O-N 3.17Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.22Å; F63-P76 HydrophobicContact CD1-CG 3.92Å; F63-P76 HydrophobicContact CD2-CG 4.34Å; F63-P76 HydrophobicContact CE1-CB 4.28Å; F63-P76 HydrophobicContact CE1-CG 3.92Å; F63-P76 HydrophobicContact CE2-CB 4.17Å; F63-P76 HydrophobicContact CE2-CG 4.34Å; F63-P76 HydrophobicContact CG-CG 4.13Å; F63-P76 HydrophobicContact CZ-CB 4.02Å; F63-P76 HydrophobicContact CZ-CG 4.14Å
64	E	68.2	Low	70.8	Confident	58 Å²	58	78 Å²	78	27%	0.271	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-70	-13.9	177.9	-78.3	-173.6	155.1	0	0	115.2	V60 N66 D67 T73 V85	V60-E64 PolarHBondContact O-N 2.91Å; E64-N66 PolarHBondContact O-N 3.29Å; E64-D67 PolarHBondContact O-N 2.81Å; E64-T73 WeakPolarHBondContact OE1-CA 3.43Å; E64-T73 WeakPolarHBondContact OE1-CG2 3.42Å; E64-V85 VanDerWaalsContact OE2-CG2 3.25Å; E64-V85 WeakPolarHBondContact OE2-CG2 3.5Å
65	K	57.6	Low	70.5	Confident	146 Å²	146	77.3 Å²	77.3	64%	0.635	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-58.6	-8.4	-172.8	-84.9	179.1	175.6	163.3	0	115.2	N62 F63	N62-K65 PolarHBondContact O-N 3.48Å; N62-K65 WeakPolarHBondContact OD1-CE 3.4Å; N62-K65 PolarHBondContact OD1-NZ 3.43Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.22Å
66	N	52.5	Low	70.2	Confident	158 Å²	158	79 Å²	79	85%	0.845	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-95.4	-11	175.4	-84.8	2.2	0	0	0	115.6	E64	E64-N66 PolarHBondContact O-N 3.29Å
67	D	47.4	Very low	70	Confident	127 Å²	127	87 Å²	87	68%	0.679	43%	0.426	S	S	*	.			trans	-127.4	77.9	-176.8	-120.1	-18.5	0	0	0	111.2	E64 M69	E64-D67 PolarHBondContact O-N 2.81Å; D67-M69 PolarHBondContact O-N 2.92Å
68	S	51.1	Low	69.9	Low	111 Å²	111	87 Å²	87	78%	0.776	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	4	-165.8	-44.4	0	0	0	0	116.8
69	M	51.5	Low	69.8	Low	177 Å²	177	87.2 Å²	87.2	87%	0.872	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	8.2	-166.9	-72.1	-63.8	-127	0	0	116.9	D67	D67-M69 PolarHBondContact O-N 2.92Å
70	V	56.2	Low	69.6	Low	81 Å²	81	89.3 Å²	89.3	49%	0.491	45%	0.451	S	S	.	.			trans	-114	126	179.9	-160.9	0	0	0	0	111.2	Y72	V70-Y72 HydrophobicContact CG1-CD2 4.03Å; V70-Y72 PolarHBondContact O-N 3.39Å; V70-Y72 VanDerWaalsContact O-N 3.13Å
71	P	63.5	Low	69.5	Low	85 Å²	85	94.4 Å²	94.4	55%	0.552	48%	0.477	S	S	*	.	S	Bend	trans	-76.6	9.5	-178.8	30.9	-34.5	0	0	0	114.4	S84	P71-S84 WeakPolarHBondContact O-CA 3.46Å; P71-S84 WeakPolarHBondContact O-CB 3.45Å; P71-S84 PolarHBondContact O-N 2.75Å
72	Y	70.2	Confident	69.5	Low	117 Å²	117	89.3 Å²	89.3	46%	0.459	46%	0.459	S	S	.	.	S	Bend	trans	-119.5	137.8	-174	-61.5	-73.6	0	0	0	110.6	V70 S82	V70-Y72 HydrophobicContact CG1-CD2 4.03Å; V70-Y72 PolarHBondContact O-N 3.39Å; V70-Y72 VanDerWaalsContact O-N 3.13Å; Y72-S82 CarbonylContact C-O 3.5Å; Y72-S82 WeakPolarHBondContact CA-O 3.46Å; Y72-S82 WeakPolarHBondContact CB-O 3.34Å
73	T	73	Confident	69.2	Low	0 Å²	0	87.4 Å²	87.4	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.8	177.9	49.8	0	0	0	0	109.6	V60 E64 S82 G83 V85 L88	V60-T73 HydrophobicContact CG1-CG2 3.92Å; E64-T73 WeakPolarHBondContact OE1-CA 3.43Å; E64-T73 WeakPolarHBondContact OE1-CG2 3.42Å; T73-S82 PolarHBondContact N-O 3.3Å; T73-S82 PolarHBondContact O-N 3.22Å; T73-S82 WeakPolarHBondContact OG1-CB 3.25Å; T73-S82 PolarHBondContact OG1-O 2.9Å; T73-G83 WeakPolarHBondContact CG2-O 3.37Å; T73-G83 PolarHBondContact N-O 3.16Å; T73-G83 PolarHBondContact OG1-O 3.48Å; T73-V85 HydrophobicContact CG2-CB 4.27Å; T73-V85 HydrophobicContact CG2-CG2 3.26Å; T73-L88 HydrophobicContact CG2-CD1 4.42Å
74	K	79.3	Confident	69.1	Low	97 Å²	97	84.2 Å²	84.2	42%	0.422	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.5	171	-165.6	179.7	-174.5	-150.1	0	109.3	P76 D79 L81	K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.42Å; K74-D79 WeakPolarHBondContact CE-OD1 3.38Å; K74-D79 WeakPolarHBondContact CE-OD2 3.38Å; K74-D79 WeakPolarHBondContact CG-O 3.46Å; K74-D79 IonicContact NZ-OD1 3.55Å; K74-D79 PolarHBondContact NZ-OD1 2.86Å; K74-D79 IonicContact NZ-OD2 2.7Å; K74-D79 PolarHBondContact NZ-OD2 2.94Å; K74-L81 HydrophobicContact CB-CD2 4.48Å
75	C	78.6	Confident	69.1	Low	0 Å²	0	81.7 Å²	81.7	0%	0	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64.5	123	177.2	-178.6	0	0	0	0	110.6	L49 C51 H53 R77 D79 T80	L49-C75 HydrophobicContact CD1-CB 3.83Å; C51-C75 PolarHBondContact SG-SG 3.38Å; H53-C75 PolarHBondContact ND1-SG 3.1Å; C75-R77 PolarHBondContact O-N 3.03Å; C75-R77 PolarHBondContact SG-N 3.49Å; C75-R77 VanDerWaalsContact SG-N 3.44Å; C75-D79 VanDerWaalsContact O-CA 3.28Å; C75-D79 WeakPolarHBondContact O-CA 3.3Å; C75-D79 PolarHBondContact O-N 2.83Å; C75-T80 WeakPolarHBondContact CB-O 3.39Å; C75-T80 PolarHBondContact N-O 3.04Å
76	P	79.2	Confident	69.6	Low	40 Å²	40	85 Å²	85	26%	0.26	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.8	179.1	-23.2	34.4	0	0	0	114.8	I38 F55 F63 K74	I38-P76 HydrophobicContact CD1-CG 4.1Å; F55-P76 HydrophobicContact CZ-CB 4.48Å; F55-P76 HydrophobicContact CZ-CG 4.38Å; F63-P76 HydrophobicContact CD1-CG 3.92Å; F63-P76 HydrophobicContact CD2-CG 4.34Å; F63-P76 HydrophobicContact CE1-CB 4.28Å; F63-P76 HydrophobicContact CE1-CG 3.92Å; F63-P76 HydrophobicContact CE2-CB 4.17Å; F63-P76 HydrophobicContact CE2-CG 4.34Å; F63-P76 HydrophobicContact CG-CG 4.13Å; F63-P76 HydrophobicContact CZ-CB 4.02Å; F63-P76 HydrophobicContact CZ-CG 4.14Å; K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.42Å
77	R	79.8	Confident	70.4	Confident	173 Å²	173	82.6 Å²	82.6	65%	0.653	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-37.5	-176.8	-88.3	-173.3	161.9	-167.1	-3.8	114.7	F55 C75	F55-R77 HydrophobicContact CZ-CB 4.44Å; F55-R77 HydrophobicContact CZ-CG 4.03Å; C75-R77 PolarHBondContact O-N 3.03Å; C75-R77 PolarHBondContact SG-N 3.49Å; C75-R77 VanDerWaalsContact SG-N 3.44Å
78	C	82.1	Confident	71.7	Confident	54 Å²	54	77.3 Å²	77.3	37%	0.365	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	7.3	-173.4	65.7	0	0	0	0	113.2	C51 T80	C51-C78 VanDerWaalsContact CB-SG 3.52Å; C78-T80 PolarHBondContact O-N 2.86Å; C78-T80 PolarHBondContact O-OG1 3.36Å; C78-T80 PolarHBondContact SG-OG1 3.08Å
79	D	80.2	Confident	72.7	Confident	95 Å²	95	79.1 Å²	79.1	51%	0.508	40%	0.403	S	S	.	.			trans	59.9	4.1	177	-80.6	-9.1	0	0	0	116.2	K74 C75 L81	K74-D79 WeakPolarHBondContact CE-OD1 3.38Å; K74-D79 WeakPolarHBondContact CE-OD2 3.38Å; K74-D79 WeakPolarHBondContact CG-O 3.46Å; K74-D79 IonicContact NZ-OD1 3.55Å; K74-D79 PolarHBondContact NZ-OD1 2.86Å; K74-D79 IonicContact NZ-OD2 2.7Å; K74-D79 PolarHBondContact NZ-OD2 2.94Å; C75-D79 VanDerWaalsContact O-CA 3.28Å; C75-D79 WeakPolarHBondContact O-CA 3.3Å; C75-D79 PolarHBondContact O-N 2.83Å; D79-L81 PolarHBondContact O-N 2.97Å
80	T	80.1	Confident	73.9	Confident	64 Å²	64	74 Å²	74	39%	0.393	39%	0.389	S	S	.	.			trans	-65.2	130.8	175.8	-48.8	0	0	0	0	110.2	C51 C75 C78	C51-T80 HydrophobicContact CB-CG2 4.34Å; C75-T80 WeakPolarHBondContact CB-O 3.39Å; C75-T80 PolarHBondContact N-O 3.04Å; C78-T80 PolarHBondContact O-N 2.86Å; C78-T80 PolarHBondContact O-OG1 3.36Å; C78-T80 PolarHBondContact SG-OG1 3.08Å
81	L	79.7	Confident	74.9	Confident	109 Å²	109	71.4 Å²	71.4	57%	0.571	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	129.2	173.9	-70.5	161.1	0	0	0	110	S50 K74 D79	S50-L81 PolarHBondContact OG-O 3.24Å; K74-L81 HydrophobicContact CB-CD2 4.48Å; D79-L81 PolarHBondContact O-N 2.97Å
82	S	78.1	Confident	75.1	Confident	4 Å²	4	71.9 Å²	71.9	3%	0.028	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	168.7	175.6	-76.3	0	0	0	0	109.8	L49 S50 Y72 T73	L49-S82 WeakPolarHBondContact CB-OG 3.5Å; S50-S82 PolarHBondContact N-OG 3.4Å; S50-S82 VanDerWaalsContact N-OG 3.1Å; S50-S82 PolarHBondContact OG-OG 3.01Å; Y72-S82 CarbonylContact C-O 3.5Å; Y72-S82 WeakPolarHBondContact CA-O 3.46Å; Y72-S82 WeakPolarHBondContact CB-O 3.34Å; T73-S82 PolarHBondContact N-O 3.3Å; T73-S82 PolarHBondContact O-N 3.22Å; T73-S82 WeakPolarHBondContact OG1-CB 3.25Å; T73-S82 PolarHBondContact OG1-O 2.9Å
83	G	71.8	Confident	74.9	Confident	29 Å²	29	68.8 Å²	68.8	30%	0.299	36%	0.359	S	S	.	.			trans	-61.1	174.5	176.9	0	0	0	0	0	113.6	T73	T73-G83 WeakPolarHBondContact CG2-O 3.37Å; T73-G83 PolarHBondContact N-O 3.16Å; T73-G83 PolarHBondContact OG1-O 3.48Å
84	S	71	Confident	74.5	Confident	43 Å²	43	71.9 Å²	71.9	30%	0.301	38%	0.381	S	S	.	.			trans	-57.7	144.8	176.3	-178.3	0	0	0	0	111.7	P71 R86 T87 L88	P71-S84 WeakPolarHBondContact O-CA 3.46Å; P71-S84 WeakPolarHBondContact O-CB 3.45Å; P71-S84 PolarHBondContact O-N 2.75Å; S84-R86 PolarHBondContact O-N 3.34Å; S84-T87 PolarHBondContact N-OG1 3.05Å; S84-T87 PolarHBondContact O-N 2.71Å; S84-T87 PolarHBondContact O-OG1 3.22Å; S84-L88 PolarHBondContact O-N 2.91Å
85	V	68.4	Low	73.7	Confident	6 Å²	6	71 Å²	71	4%	0.036	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-28.9	177.2	-177.2	0	0	0	0	113.3	R57 V60 R61 E64 T73	R57-V85 HydrophobicContact CG-CG1 3.83Å; R57-V85 PolarHBondContact NE-O 3Å; V60-V85 HydrophobicContact CG1-CG2 4.02Å; R61-V85 HydrophobicContact CB-CG1 4.49Å; E64-V85 VanDerWaalsContact OE2-CG2 3.25Å; E64-V85 WeakPolarHBondContact OE2-CG2 3.5Å; T73-V85 HydrophobicContact CG2-CB 4.27Å; T73-V85 HydrophobicContact CG2-CG2 3.26Å
86	R	67.2	Low	72.6	Confident	214 Å²	214	71.3 Å²	71.3	81%	0.808	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-31.9	179.2	-62.6	-174.1	-177.5	-138.1	2.3	113.4	S84	S84-R86 PolarHBondContact O-N 3.34Å
87	T	69.9	Low	71.3	Confident	108 Å²	108	76.4 Å²	76.4	66%	0.663	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.2	-175.8	56.6	0	0	0	0	113.2	S84	S84-T87 PolarHBondContact N-OG1 3.05Å; S84-T87 PolarHBondContact O-N 2.71Å; S84-T87 PolarHBondContact O-OG1 3.22Å
88	L	75.3	Confident	69.7	Low	16 Å²	16	73.7 Å²	73.7	8%	0.084	41%	0.409	C	S	.	.	S	Bend	trans	-65.3	139.4	177.5	-65.6	174.3	0	0	0	112	V47 L49 R57 T73 S84	V47-L88 HydrophobicContact CB-CB 4.1Å; V47-L88 HydrophobicContact CB-CD1 4.31Å; V47-L88 HydrophobicContact CG1-CB 4.28Å; V47-L88 HydrophobicContact CG2-CD1 4.05Å; L49-L88 HydrophobicContact CD2-CD1 3.52Å; L49-L88 HydrophobicContact CD2-CD2 3.9Å; L49-L88 HydrophobicContact CD2-CG 4.36Å; R57-L88 PolarHBondContact NH2-O 2.85Å; T73-L88 HydrophobicContact CG2-CD1 4.42Å; S84-L88 PolarHBondContact O-N 2.91Å
89	E	72.2	Confident	67.7	Low	149 Å²	149	77.1 Å²	77.1	70%	0.696	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-69.2	140.8	177	-65.4	-173.2	164.1	0	0	110.8	V47 I48	V47-E89 WeakPolarHBondContact CA-O 3.11Å; I48-E89 HydrophobicContact CG2-CB 3.92Å; I48-E89 PolarHBondContact N-O 3.19Å; I48-E89 VanDerWaalsContact N-O 3.07Å
90	A	75.2	Confident	65.6	Low	71 Å²	71	78.1 Å²	78.1	59%	0.587	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-73.8	134.1	173.2	0	0	0	0	0	109
91	Y	77.9	Confident	63.5	Low	26 Å²	26	84.5 Å²	84.5	10%	0.102	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-84.3	125.4	176.5	177.1	-103.8	0	0	0	110	L32 P46 I48 I54 L93	L32-Y91 VanDerWaalsContact CB-OH 3.31Å; L32-Y91 WeakPolarHBondContact CB-OH 3.5Å; L32-Y91 WeakPolarHBondContact CD1-OH 3.31Å; P46-Y91 HydrophobicContact CB-CD1 4.13Å; P46-Y91 HydrophobicContact CG-CD1 3.94Å; P46-Y91 HydrophobicContact CG-CG 4.48Å; P46-Y91 WeakPolarHBondContact CG-O 3.5Å; P46-Y91 PolarHBondContact O-N 3.31Å; I48-Y91 HydrophobicContact CD1-CD2 4.48Å; I54-Y91 HydrophobicContact CD1-CD1 4.17Å; I54-Y91 HydrophobicContact CD1-CD2 3.61Å; I54-Y91 HydrophobicContact CD1-CE1 3.94Å; I54-Y91 HydrophobicContact CD1-CE2 3.36Å; I54-Y91 HydrophobicContact CD1-CG 4.01Å; I54-Y91 HydrophobicContact CG1-CD2 4.04Å; I54-Y91 HydrophobicContact CG1-CE2 4.28Å; I54-Y91 HydrophobicContact CG1-CG 4.23Å; I54-Y91 HydrophobicContact CG2-CD1 3.83Å; I54-Y91 HydrophobicContact CG2-CD2 4.49Å; I54-Y91 HydrophobicContact CG2-CE1 4.45Å; I54-Y91 HydrophobicContact CG2-CG 3.85Å; Y91-L93 PolarHBondContact O-N 3.11Å
92	D	67.6	Low	61	Low	95 Å²	95	83 Å²	83	51%	0.508	47%	0.466	S	S	.	.			trans	-80.4	113.3	177.3	-173.2	1.3	0	0	0	110.9	S94 V95	D92-S94 PolarHBondContact O-N 2.94Å; D92-S94 VanDerWaalsContact OD1-CB 3.29Å; D92-S94 WeakPolarHBondContact OD1-CB 3.49Å; D92-S94 PolarHBondContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 3.49Å; D92-S94 VanDerWaalsContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.32Å; D92-V95 HydrophobicContact CB-CG2 4.27Å; D92-V95 PolarHBondContact O-N 3.23Å
93	L	67.3	Low	58.8	Low	51 Å²	51	89.8 Å²	89.8	27%	0.267	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.8	177.5	-84.4	150.4	0	0	0	113.4	F43 P46 Y91 V95 A96	F43-L93 HydrophobicContact CB-CD1 4.19Å; F43-L93 HydrophobicContact CB-CD2 3.94Å; F43-L93 HydrophobicContact CB-CG 4.46Å; F43-L93 HydrophobicContact CD2-CD2 4.26Å; P46-L93 HydrophobicContact CG-CD1 3.98Å; P46-L93 HydrophobicContact CG-CG 4.1Å; Y91-L93 PolarHBondContact O-N 3.11Å; L93-V95 PolarHBondContact O-N 3.37Å; L93-A96 PolarHBondContact O-N 3.1Å
94	S	62.7	Low	57.1	Low	66 Å²	66	92.2 Å²	92.2	46%	0.462	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-59.4	-29.8	178.5	77.9	0	0	0	0	112.3	D92 A96	D92-S94 PolarHBondContact O-N 2.94Å; D92-S94 VanDerWaalsContact OD1-CB 3.29Å; D92-S94 WeakPolarHBondContact OD1-CB 3.49Å; D92-S94 PolarHBondContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 3.49Å; D92-S94 VanDerWaalsContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 3.32Å; S94-A96 PolarHBondContact O-N 3.08Å
95	V	62.9	Low	55.3	Low	79 Å²	79	94.5 Å²	94.5	48%	0.479	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-71.6	-29.7	-178.5	-169	0	0	0	0	112	L32 D92 L93 T98	L32-V95 HydrophobicContact CD1-CB 4.26Å; L32-V95 HydrophobicContact CD1-CG1 3.59Å; D92-V95 HydrophobicContact CB-CG2 4.27Å; D92-V95 PolarHBondContact O-N 3.23Å; L93-V95 PolarHBondContact O-N 3.37Å; V95-T98 PolarHBondContact O-OG1 2.94Å
96	A	56.7	Low	53.4	Low	5 Å²	5	102.5 Å²	102.5	4%	0.041	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-18.5	-178.3	0	0	0	0	0	114.2	L32 T34 L93 S94 T98	L32-A96 HydrophobicContact CB-CB 3.92Å; T34-A96 HydrophobicContact CG2-CB 4.16Å; L93-A96 PolarHBondContact O-N 3.1Å; S94-A96 PolarHBondContact O-N 3.08Å; A96-T98 PolarHBondContact O-N 3.43Å
97	Q	51.9	Low	51.7	Low	148 Å²	148	101.7 Å²	101.7	69%	0.692	58%	0.581	S	S	*	*			trans	-81	5.4	-173.7	-73.1	-179.6	-2.2	0	0	114.5	R99	Q97-R99 PolarHBondContact O-N 3.2Å
98	T	45.3	Very low	50.1	Low	116 Å²	116	101.8 Å²	101.8	71%	0.712	58%	0.582	S	S	*	*			trans	-78.5	61.5	171.5	51.2	0	0	0	0	110.7	V95 A96	V95-T98 PolarHBondContact O-OG1 2.94Å; A96-T98 PolarHBondContact O-N 3.43Å
99	R	40	Very low	48.2	Very low	125 Å²	125	108.1 Å²	108.1	47%	0.472	62%	0.616	S	S	.	*			trans	-121.1	108.8	174.9	-84.9	-172.3	171.4	179.9	0.7	111.8	Q97 E101	Q97-R99 PolarHBondContact O-N 3.2Å; R99-E101 PolarHBondContact O-N 3.35Å
100	S	37.4	Very low	46.9	Very low	117 Å²	117	104.5 Å²	104.5	82%	0.818	62%	0.618	S	S	*	*				35.2	73.6	123	-44.3	0	0	0	0	118	G102	S100-G102 PolarHBondContact O-N 2.83Å
101	E	34.5	Very low	45.9	Very low	197 Å²	197	104.2 Å²	104.2	92%	0.921	62%	0.616	S	S	*	*			trans	-85.7	77.4	148.8	-75.7	-170.2	172.8	0	0	108.9	R99 D103	R99-E101 PolarHBondContact O-N 3.35Å; E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 3.31Å
102	G	28.3	Very low	45.3	Very low	78 Å²	78	105.2 Å²	105.2	80%	0.804	63%	0.63	S	S	*	*			trans	-77.9	81.9	152.3	0	0	0	0	0	108.7	S100	S100-G102 PolarHBondContact O-N 2.83Å
103	D	30.5	Very low	45.7	Very low	147 Å²	147	101.4 Å²	101.4	79%	0.786	61%	0.61	S	S	*	*			trans	-126.1	119.3	144.4	-157.8	4.8	0	0	0	107.9	E101 S105	E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 3.31Å; D103-S105 VanDerWaalsContact C-N 3.28Å; D103-S105 PolarHBondContact O-N 3.26Å
104	G	36	Very low	46.4	Very low	80 Å²	80	105.2 Å²	105.2	83%	0.825	62%	0.624	S	S	*	*	S	Bend	trans	-74.9	70.6	-161	0	0	0	0	0	113.1
105	S	34.1	Very low	47.3	Very low	91 Å²	91	102.5 Å²	102.5	64%	0.636	61%	0.605	S	S	*	*	S	Bend	trans	-164	83.7	159.9	58.2	0	0	0	0	110.8	D103	D103-S105 VanDerWaalsContact C-N 3.28Å; D103-S105 PolarHBondContact O-N 3.26Å
106	H	28.8	Very low	48.2	Very low	173 Å²	173	102.5 Å²	102.5	80%	0.801	61%	0.608	S	S	*	*			trans	160.1	80.2	140.3	-83.1	-62.8	0	0	0	107.6	V108	H106-V108 HydrophobicContact CB-CG2 4.23Å; H106-V108 PolarHBondContact O-N 2.86Å
107	K	30.3	Very low	49.2	Very low	197 Å²	197	105.9 Å²	105.9	86%	0.857	63%	0.629	S	S	*	*			trans	-57	91.4	149.1	-81.5	-179.2	174.3	179.2	0	106.2	N109	K107-N109 PolarHBondContact O-N 3.32Å
108	V	36.6	Very low	50.4	Low	110 Å²	110	100 Å²	100	67%	0.667	60%	0.603	S	S	*	*			trans	-70.8	89.5	166.3	-177.1	0	0	0	0	105.1	H106 G110 A111	H106-V108 HydrophobicContact CB-CG2 4.23Å; H106-V108 PolarHBondContact O-N 2.86Å; V108-G110 PolarHBondContact O-N 3.45Å; V108-A111 HydrophobicContact CG1-CB 4.15Å
109	N	36.5	Very low	52	Low	149 Å²	149	101.2 Å²	101.2	80%	0.797	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.9	119.6	167.8	-77.6	-22.2	0	0	0	108.9	K107 A111	K107-N109 PolarHBondContact O-N 3.32Å; N109-A111 PolarHBondContact O-N 3.06Å
110	G	44.7	Very low	53.9	Low	73 Å²	73	99.4 Å²	99.4	75%	0.753	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.2	54	160	0	0	0	0	0	115.5	V108 A112	V108-G110 PolarHBondContact O-N 3.45Å; G110-A112 VanDerWaalsContact C-N 3.3Å; G110-A112 PolarHBondContact O-N 2.8Å
111	A	53.3	Low	55.8	Low	66 Å²	66	94.9 Å²	94.9	55%	0.545	58%	0.583	S	S	.	*			trans	-66.6	93.5	167.2	0	0	0	0	0	109.1	V108 N109 V113	V108-A111 HydrophobicContact CG1-CB 4.15Å; N109-A111 PolarHBondContact O-N 3.06Å; A111-V113 PolarHBondContact O-N 2.92Å
112	A	66.8	Low	58.2	Low	46 Å²	46	88.2 Å²	88.2	38%	0.38	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-52.9	132.5	172.6	0	0	0	0	0	109.9	G110 K114	G110-A112 VanDerWaalsContact C-N 3.3Å; G110-A112 PolarHBondContact O-N 2.8Å; A112-K114 PolarHBondContact O-N 3.16Å
113	V	76	Confident	60.8	Low	16 Å²	16	89 Å²	89	10%	0.097	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-58.2	127.1	175.6	175.7	0	0	0	0	109.3	A111 A124 T134 E161 K162 A165 L168	A111-V113 PolarHBondContact O-N 2.92Å; V113-A124 HydrophobicContact CB-CB 4.44Å; V113-A124 HydrophobicContact CG1-CB 3.95Å; V113-A124 WeakPolarHBondContact O-CB 3.39Å; V113-A124 PolarHBondContact O-N 3.32Å; V113-T134 HydrophobicContact CG1-CG2 3.82Å; V113-E161 VanDerWaalsContact CG2-O 3.24Å; V113-E161 WeakPolarHBondContact CG2-O 3.38Å; V113-K162 PolarHBondContact N-O 2.89Å; V113-A165 HydrophobicContact CG2-CB 4.18Å; V113-L168 HydrophobicContact CB-CD2 4.21Å; V113-L168 HydrophobicContact CG1-CD2 3.4Å; V113-L168 VanDerWaalsContact CG1-CD2 3.4Å; V113-L168 HydrophobicContact CG2-CD2 3.95Å
114	K	81.2	Confident	63.3	Low	131 Å²	131	82.2 Å²	82.2	57%	0.57	50%	0.503	S	S	*	.	B	Isolated β-bridge	trans	-91.5	152.4	178.7	-64.5	-167.4	170.2	-154.5	0	112.2	A112 S116 G121 T134	A112-K114 PolarHBondContact O-N 3.16Å; K114-S116 PolarHBondContact O-N 3.35Å; K114-G121 WeakPolarHBondContact CD-O 3.34Å; K114-T134 PolarHBondContact O-OG1 3.04Å
115	C	81.8	Confident	65.5	Low	8 Å²	8	81.5 Å²	81.5	5%	0.054	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-64.5	126.3	172.5	175.1	0	0	0	0	110.4	V117 C118 N122 T134 C136 C139	C115-V117 VanDerWaalsContact C-N 3.32Å; C115-V117 PolarHBondContact SG-N 3.35Å; C115-C118 WeakPolarHBondContact CB-SG 3.42Å; C115-C118 PolarHBondContact SG-N 3.4Å; C115-C118 VanDerWaalsContact SG-N 3.36Å; C115-C118 PolarHBondContact SG-SG 3.12Å; C115-N122 VanDerWaalsContact CB-O 3.25Å; C115-N122 WeakPolarHBondContact CB-O 3.18Å; C115-N122 PolarHBondContact N-O 3.39Å; C115-T134 PolarHBondContact SG-O 2.82Å; C115-T134 VanDerWaalsContact SG-O 3.36Å; C115-C136 HydrophobicContact CB-CB 3.82Å; C115-C136 PolarHBondContact SG-N 3.12Å; C115-C139 VanDerWaalsContact SG-SG 3.66Å
116	S	81.2	Confident	67.9	Low	79 Å²	79	78.5 Å²	78.5	55%	0.552	46%	0.455	S	S	*	.	S	Bend	trans	-79.4	-16.2	-179.7	66.8	0	0	0	0	113.3	K114 G133 T134	K114-S116 PolarHBondContact O-N 3.35Å; S116-G133 WeakPolarHBondContact OG-CA 3.19Å; S116-T134 PolarHBondContact N-O 3.36Å; S116-T134 PolarHBondContact N-OG1 3.05Å; S116-T134 PolarHBondContact OG-N 3.38Å; S116-T134 VanDerWaalsContact OG-N 3.1Å; S116-T134 PolarHBondContact OG-O 2.83Å
117	V	77.5	Confident	70.5	Confident	77 Å²	77	71.6 Å²	71.6	47%	0.467	42%	0.422	S	S	.	.	S	Bend	trans	-98.4	-33	-172.7	-179	0	0	0	0	112.8	C115 L135 C139	C115-V117 VanDerWaalsContact C-N 3.32Å; C115-V117 PolarHBondContact SG-N 3.35Å; V117-L135 HydrophobicContact CB-CD2 4.04Å; V117-L135 HydrophobicContact CG2-CD2 3.5Å; V117-C139 HydrophobicContact CB-CB 4.49Å
118	C	77.7	Confident	72.7	Confident	23 Å²	23	62.3 Å²	62.3	16%	0.155	38%	0.382	C	S	.	.			trans	-85.7	139.3	179.8	68.3	0	0	0	0	111.8	C115 D120 G121 N122	C115-C118 WeakPolarHBondContact CB-SG 3.42Å; C115-C118 PolarHBondContact SG-N 3.4Å; C115-C118 VanDerWaalsContact SG-N 3.36Å; C115-C118 PolarHBondContact SG-SG 3.12Å; C118-D120 HydrophobicContact CB-CB 4.45Å; C118-D120 PolarHBondContact O-N 2.75Å; C118-G121 PolarHBondContact O-N 3.14Å; C118-G121 PolarHBondContact SG-N 3.44Å; C118-N122 PolarHBondContact SG-N 2.88Å; C118-N122 VanDerWaalsContact SG-N 3.45Å
119	T	79.7	Confident	74.4	Confident	143 Å²	143	58.7 Å²	58.7	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.3	167.7	48.7	0	0	0	0	112.9	G121	T119-G121 PolarHBondContact O-N 2.85Å
120	D	78.6	Confident	76	Confident	87 Å²	87	56.5 Å²	56.5	47%	0.465	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.4	-177.8	-63.3	-8.2	0	0	0	112.8	C118 N122 R138	C118-D120 HydrophobicContact CB-CB 4.45Å; C118-D120 PolarHBondContact O-N 2.75Å; D120-N122 PolarHBondContact O-N 2.84Å; D120-R138 IonicContact OD2-CZ 2.83Å; D120-R138 IonicContact OD2-NH1 3.47Å; D120-R138 PolarHBondContact OD2-NH1 2.91Å; D120-R138 IonicContact OD2-NH2 2.8Å
121	G	77.2	Confident	77.1	Confident	22 Å²	22	55.4 Å²	55.4	23%	0.227	32%	0.324	C	S	.	.			trans	59.2	32	-178.5	0	0	0	0	0	113.8	K114 C118 T119	K114-G121 WeakPolarHBondContact CD-O 3.34Å; C118-G121 PolarHBondContact O-N 3.14Å; C118-G121 PolarHBondContact SG-N 3.44Å; T119-G121 PolarHBondContact O-N 2.85Å
122	N	84.5	Confident	77.8	Confident	56 Å²	56	55.2 Å²	55.2	30%	0.299	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.7	153.9	177.4	-65.6	-36.5	0	0	0	111.2	C115 C118 D120 A124 C136	C115-N122 VanDerWaalsContact CB-O 3.25Å; C115-N122 WeakPolarHBondContact CB-O 3.18Å; C115-N122 PolarHBondContact N-O 3.39Å; C118-N122 PolarHBondContact SG-N 2.88Å; C118-N122 VanDerWaalsContact SG-N 3.45Å; D120-N122 PolarHBondContact O-N 2.84Å; N122-A124 PolarHBondContact O-N 3.29Å; N122-C136 HydrophobicContact CB-CB 3.62Å
123	D	83.8	Confident	78.2	Confident	95 Å²	95	53.3 Å²	53.3	51%	0.508	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-59.6	132.5	176.3	-59.6	-27.6	0	0	0	110.7	C136	D123-C136 VanDerWaalsContact O-CB 3.29Å; D123-C136 WeakPolarHBondContact O-CB 3.42Å
124	A	83.4	Confident	78.6	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-75.4	127.5	174.9	0	0	0	0	0	109.4	V113 N122 T134 L157	V113-A124 HydrophobicContact CB-CB 4.44Å; V113-A124 HydrophobicContact CG1-CB 3.95Å; V113-A124 WeakPolarHBondContact O-CB 3.39Å; V113-A124 PolarHBondContact O-N 3.32Å; N122-A124 PolarHBondContact O-N 3.29Å; A124-T134 HydrophobicContact CB-CG2 4.24Å; A124-L157 HydrophobicContact CB-CD1 3.77Å
125	L	82.5	Confident	78.7	Confident	65 Å²	65	47 Å²	47	34%	0.34	28%	0.279	S	S	.	.			trans	-112.4	-16.2	172.9	-65.5	176.4	0	0	0	111.6	L135 L157	L125-L135 PolarHBondContact N-O 2.79Å; L125-L157 PolarHBondContact O-N 2.77Å
126	Y	84	Confident	79	Confident	28 Å²	28	46.8 Å²	46.8	11%	0.11	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.4	-172.5	-50.2	-85.6	0	0	0	110.4	L135 E137 R140 I154 L155 D156	Y126-L135 PolarHBondContact N-O 3.34Å; Y126-L135 PolarHBondContact O-N 2.83Å; Y126-E137 HydrophobicContact CE2-CB 4.26Å; Y126-R140 HydrophobicContact CD1-CG 4.27Å; Y126-R140 HydrophobicContact CD2-CB 3.84Å; Y126-R140 HydrophobicContact CD2-CG 4.11Å; Y126-R140 VanDerWaalsContact CE1-NE 3.32Å; Y126-R140 HydrophobicContact CE2-CB 4.23Å; Y126-R140 HydrophobicContact CE2-CG 4.4Å; Y126-R140 HydrophobicContact CG-CB 4.21Å; Y126-R140 HydrophobicContact CG-CG 4.06Å; Y126-I154 HydrophobicContact CG-CG2 4.4Å; Y126-L155 CarbonylContact C-O 3.54Å; Y126-L155 WeakPolarHBondContact CA-O 3.49Å; Y126-D156 HydrophobicContact CD1-CB 4.45Å; Y126-D156 WeakPolarHBondContact CD1-OD1 3.12Å; Y126-D156 WeakPolarHBondContact CE1-OD1 3.33Å
127	R	82.5	Confident	79.2	Confident	28 Å²	28	48.7 Å²	48.7	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.7	168.6	63.5	-177.7	-179.6	89.2	1	110.5	L129 I154 L155 L157 E161	R127-L129 VanDerWaalsContact NH1-CD2 3.26Å; R127-I154 WeakPolarHBondContact O-CA 3.17Å; R127-L155 HydrophobicContact CG-CB 4.27Å; R127-L155 PolarHBondContact N-O 3.45Å; R127-L155 PolarHBondContact O-N 2.91Å; R127-L157 HydrophobicContact CB-CD2 3.8Å; R127-L157 HydrophobicContact CG-CD2 3.84Å; R127-E161 IonicContact NE-OE1 3.98Å
128	C	77.8	Confident	79.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	175.2	177.1	0	0	0	0	110.3	H130 C131 A132 G133 L135	C128-H130 PolarHBondContact O-N 3.44Å; C128-H130 PolarHBondContact SG-N 2.9Å; C128-C131 HydrophobicContact CB-CB 3.93Å; C128-C131 PolarHBondContact SG-N 2.84Å; C128-A132 PolarHBondContact O-N 3.12Å; C128-G133 PolarHBondContact N-O 2.86Å; C128-L135 HydrophobicContact CB-CD1 3.89Å; C128-L135 HydrophobicContact CB-CG 4.49Å
129	L	71	Confident	80	Confident	34 Å²	34	51.5 Å²	51.5	18%	0.178	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.7	179.4	-72.9	173.1	0	0	0	112.8	R127 E153 L155 T175	R127-L129 VanDerWaalsContact NH1-CD2 3.26Å; L129-E153 HydrophobicContact CB-CB 4.5Å; L129-E153 HydrophobicContact CD1-CB 3.91Å; L129-E153 HydrophobicContact CD1-CG 3.86Å; L129-E153 WeakPolarHBondContact CD1-OE2 3.21Å; L129-E153 PolarHBondContact N-O 3.45Å; L129-L155 HydrophobicContact CD1-CD1 3.88Å; L129-L155 HydrophobicContact CD1-CG 4.18Å; L129-L155 HydrophobicContact CD2-CD1 4.01Å; L129-L155 HydrophobicContact CG-CD1 4.05Å; L129-L155 HydrophobicContact CG-CG 4.35Å; L129-T175 HydrophobicContact CD2-CG2 3.98Å
130	H	69.9	Low	80.3	Confident	104 Å²	104	47.5 Å²	47.5	48%	0.481	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-35.9	-175.5	-61.3	-100.4	0	0	0	113.4	C128 A132 N151 H152 E153	C128-H130 PolarHBondContact O-N 3.44Å; C128-H130 PolarHBondContact SG-N 2.9Å; H130-A132 VanDerWaalsContact C-N 3.3Å; H130-N151 PolarHBondContact NE2-O 2.71Å; H130-H152 HydrophobicContact CB-CB 4.21Å; H130-H152 VanDerWaalsContact CD2-CA 3.45Å; H130-H152 WeakPolarHBondContact CD2-CA 3.42Å; H130-H152 AromaticContact CG-CD2 3.97Å; H130-E153 PolarHBondContact CD2-N 3.02Å; H130-E153 PolarHBondContact NE2-N 3.17Å
131	C	69.7	Low	80.5	Confident	50 Å²	50	47.1 Å²	47.1	34%	0.338	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-14.4	175.9	-68.2	0	0	0	0	112.9	C128 G133 H143 H152	C128-C131 HydrophobicContact CB-CB 3.93Å; C128-C131 PolarHBondContact SG-N 2.84Å; C131-G133 PolarHBondContact O-N 2.76Å; C131-G133 VanDerWaalsContact O-N 3.16Å; C131-H143 PolarHBondContact SG-NE2 3.22Å; C131-H152 PolarHBondContact SG-CE1 3.12Å; C131-H152 PolarHBondContact SG-ND1 3.34Å
132	A	66.9	Low	80.8	Confident	61 Å²	61	50 Å²	50	50%	0.504	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	41.8	-169.1	0	0	0	0	0	111.8	C128 H130 M172	C128-A132 PolarHBondContact O-N 3.12Å; H130-A132 VanDerWaalsContact C-N 3.3Å; A132-M172 WeakPolarHBondContact O-CE 3.48Å
133	G	74.9	Confident	80.7	Confident	7 Å²	7	47.6 Å²	47.6	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.7	-178.5	0	0	0	0	0	112.8	S116 C128 C131 M172	S116-G133 WeakPolarHBondContact OG-CA 3.19Å; C128-G133 PolarHBondContact N-O 2.86Å; C131-G133 PolarHBondContact O-N 2.76Å; C131-G133 VanDerWaalsContact O-N 3.16Å; G133-M172 VanDerWaalsContact C-CE 3.47Å; G133-M172 VanDerWaalsContact CA-CE 3.42Å
134	T	83.9	Confident	80.5	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.1	176.4	52.1	0	0	0	0	110.8	V113 K114 C115 S116 A124 L168 M172	V113-T134 HydrophobicContact CG1-CG2 3.82Å; K114-T134 PolarHBondContact O-OG1 3.04Å; C115-T134 PolarHBondContact SG-O 2.82Å; C115-T134 VanDerWaalsContact SG-O 3.36Å; S116-T134 PolarHBondContact N-O 3.36Å; S116-T134 PolarHBondContact N-OG1 3.05Å; S116-T134 PolarHBondContact OG-N 3.38Å; S116-T134 VanDerWaalsContact OG-N 3.1Å; S116-T134 PolarHBondContact OG-O 2.83Å; A124-T134 HydrophobicContact CB-CG2 4.24Å; T134-L168 HydrophobicContact CG2-CD2 3.53Å; T134-L168 HydrophobicContact CG2-CG 4.48Å; T134-M172 HydrophobicContact CG2-CE 4.46Å; T134-M172 HydrophobicContact CG2-SD 4.12Å
135	L	83.8	Confident	80.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.6	-174	-53.2	176.1	0	0	0	110.4	V117 L125 Y126 C128 C139 H143 I154	V117-L135 HydrophobicContact CB-CD2 4.04Å; V117-L135 HydrophobicContact CG2-CD2 3.5Å; L125-L135 PolarHBondContact N-O 2.79Å; Y126-L135 PolarHBondContact N-O 3.34Å; Y126-L135 PolarHBondContact O-N 2.83Å; C128-L135 HydrophobicContact CB-CD1 3.89Å; C128-L135 HydrophobicContact CB-CG 4.49Å; L135-C139 HydrophobicContact CB-CB 4.05Å; L135-C139 HydrophobicContact CD2-CB 3.89Å; L135-H143 HydrophobicContact CD1-CB 4.45Å; L135-H143 VanDerWaalsContact CD2-CE1 3.42Å; L135-H143 WeakPolarHBondContact CD2-CE1 3.49Å; L135-I154 HydrophobicContact CD1-CD1 4.21Å; L135-I154 HydrophobicContact CD1-CG1 4.36Å; L135-I154 HydrophobicContact CD1-CG2 4.15Å
136	C	88.2	Confident	80.1	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.027	28%	0.281	C	S	.	.			trans	-77.7	170.8	161.3	66.4	0	0	0	0	110	C115 N122 D123 R138 C139 R140	C115-C136 HydrophobicContact CB-CB 3.82Å; C115-C136 PolarHBondContact SG-N 3.12Å; N122-C136 HydrophobicContact CB-CB 3.62Å; D123-C136 VanDerWaalsContact O-CB 3.29Å; D123-C136 WeakPolarHBondContact O-CB 3.42Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 2.82Å; C136-C139 PolarHBondContact O-N 2.86Å; C136-R140 PolarHBondContact O-N 3.42Å
137	E	85.9	Confident	79.9	Confident	120 Å²	120	63.4 Å²	63.4	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-50.8	-45.7	179	-170.5	174	-159.2	0	0	112.9	Y126 C139 R140 D141	Y126-E137 HydrophobicContact CE2-CB 4.26Å; E137-C139 PolarHBondContact O-N 3.37Å; E137-R140 WeakPolarHBondContact O-CB 3.41Å; E137-R140 PolarHBondContact O-N 3.08Å; E137-D141 PolarHBondContact O-N 3.35Å
138	R	85.5	Confident	79.5	Confident	150 Å²	150	67.2 Å²	67.2	57%	0.566	34%	0.341	S	S	*	.	H	α-helix	trans	-61.9	-41.4	178	-164.2	-175.5	-60.2	160.8	8.1	112.7	D120 C136 D141 I142	D120-R138 IonicContact OD2-CZ 2.83Å; D120-R138 IonicContact OD2-NH1 3.47Å; D120-R138 PolarHBondContact OD2-NH1 2.91Å; D120-R138 IonicContact OD2-NH2 2.8Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 2.82Å; R138-D141 PolarHBondContact O-N 2.92Å; R138-I142 HydrophobicContact CG-CD1 4.39Å; R138-I142 WeakPolarHBondContact O-CD1 3.38Å; R138-I142 VanDerWaalsContact O-CG1 3.3Å; R138-I142 WeakPolarHBondContact O-CG1 3.21Å; R138-I142 PolarHBondContact O-N 3.46Å
139	C	86.6	Confident	79.4	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	35%	0.353	C	S	.	.	H	α-helix	trans	-73.2	-29.2	-179.7	-73.1	0	0	0	0	112.9	C115 V117 L135 C136 E137 H143	C115-C139 VanDerWaalsContact SG-SG 3.66Å; V117-C139 HydrophobicContact CB-CB 4.49Å; L135-C139 HydrophobicContact CB-CB 4.05Å; L135-C139 HydrophobicContact CD2-CB 3.89Å; C136-C139 PolarHBondContact O-N 2.86Å; E137-C139 PolarHBondContact O-N 3.37Å; C139-H143 PolarHBondContact O-N 3.35Å; C139-H143 PolarHBondContact O-ND1 2.99Å
140	R	85.3	Confident	79.5	Confident	59 Å²	59	71.7 Å²	71.7	22%	0.223	37%	0.368	C	S	.	.	H	α-helix	trans	-62.7	-46	172.1	-176.1	-147.5	-165.3	-163	10.2	111	Y126 C136 E137 H143 K144 I154	Y126-R140 HydrophobicContact CD1-CG 4.27Å; Y126-R140 HydrophobicContact CD2-CB 3.84Å; Y126-R140 HydrophobicContact CD2-CG 4.11Å; Y126-R140 VanDerWaalsContact CE1-NE 3.32Å; Y126-R140 HydrophobicContact CE2-CB 4.23Å; Y126-R140 HydrophobicContact CE2-CG 4.4Å; Y126-R140 HydrophobicContact CG-CB 4.21Å; Y126-R140 HydrophobicContact CG-CG 4.06Å; C136-R140 PolarHBondContact O-N 3.42Å; E137-R140 WeakPolarHBondContact O-CB 3.41Å; E137-R140 PolarHBondContact O-N 3.08Å; R140-H143 WeakPolarHBondContact O-CB 3.42Å; R140-H143 PolarHBondContact O-N 3.18Å; R140-K144 PolarHBondContact O-N 3.34Å; R140-I154 HydrophobicContact CG-CD1 4.05Å; R140-I154 HydrophobicContact CG-CG2 4.14Å
141	D	84.3	Confident	79.7	Confident	79 Å²	79	73.1 Å²	73.1	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-66.7	-39.9	179.9	-65.5	-23	0	0	0	111.4	E137 R138 H143 K144 V145	E137-D141 PolarHBondContact O-N 3.35Å; R138-D141 PolarHBondContact O-N 2.92Å; D141-H143 VanDerWaalsContact C-N 3.32Å; D141-H143 PolarHBondContact O-N 3.1Å; D141-K144 PolarHBondContact O-N 2.73Å; D141-K144 VanDerWaalsContact O-N 3.16Å; D141-V145 VanDerWaalsContact O-CG2 3.31Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.39Å; D141-V145 VanDerWaalsContact O-N 3.07Å
142	I	83.2	Confident	80	Confident	83 Å²	83	73.2 Å²	73.2	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-60	-43.3	172.6	-65.4	165	0	0	0	110.7	R138 K144 V145 M146	R138-I142 HydrophobicContact CG-CD1 4.39Å; R138-I142 WeakPolarHBondContact O-CD1 3.38Å; R138-I142 VanDerWaalsContact O-CG1 3.3Å; R138-I142 WeakPolarHBondContact O-CG1 3.21Å; R138-I142 PolarHBondContact O-N 3.46Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 2.81Å; I142-V145 PolarHBondContact O-N 3.41Å; I142-M146 HydrophobicContact CG2-CG 3.82Å; I142-M146 WeakPolarHBondContact O-CB 3.46Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 2.89Å
143	H	82.4	Confident	80.6	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.028	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-35.6	176	-86.6	71.3	0	0	0	112.9	C131 L135 C139 R140 D141 F149 I154	C131-H143 PolarHBondContact SG-NE2 3.22Å; L135-H143 HydrophobicContact CD1-CB 4.45Å; L135-H143 VanDerWaalsContact CD2-CE1 3.42Å; L135-H143 WeakPolarHBondContact CD2-CE1 3.49Å; C139-H143 PolarHBondContact O-N 3.35Å; C139-H143 PolarHBondContact O-ND1 2.99Å; R140-H143 WeakPolarHBondContact O-CB 3.42Å; R140-H143 PolarHBondContact O-N 3.18Å; D141-H143 VanDerWaalsContact C-N 3.32Å; D141-H143 PolarHBondContact O-N 3.1Å; H143-F149 HydrophobicContact CB-CB 4.27Å; H143-F149 AromaticContact CD2-CG 3.77Å; H143-F149 VanDerWaalsContact O-CB 3.3Å; H143-F149 WeakPolarHBondContact O-CB 3.48Å; H143-I154 HydrophobicContact CB-CD1 3.57Å
144	K	79.7	Confident	80.9	Confident	120 Å²	120	76.9 Å²	76.9	52%	0.522	38%	0.38	S	S	.	.	H	α-helix	trans	-73.4	-32.3	178.5	-73	-177.2	177.2	-177.5	0	113.7	R140 D141 I142 I154	R140-K144 PolarHBondContact O-N 3.34Å; D141-K144 PolarHBondContact O-N 2.73Å; D141-K144 VanDerWaalsContact O-N 3.16Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 2.81Å; K144-I154 HydrophobicContact CG-CD1 4.33Å
145	V	80.6	Confident	80.7	Confident	124 Å²	124	79 Å²	79	75%	0.752	39%	0.391	S	S	*	.	H	α-helix	trans	-89.4	-28.7	-174	179.5	0	0	0	0	112.1	D141 I142 K147	D141-V145 VanDerWaalsContact O-CG2 3.31Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.39Å; D141-V145 VanDerWaalsContact O-N 3.07Å; I142-V145 PolarHBondContact O-N 3.41Å; V145-K147 PolarHBondContact O-N 2.94Å
146	M	77.2	Confident	80.6	Confident	88 Å²	88	83.9 Å²	83.9	43%	0.433	42%	0.417	S	S	.	.			trans	-76.5	123.3	-177.7	-70	-68.4	-74.4	0	0	111.4	I142 V148 F149 S150	I142-M146 HydrophobicContact CG2-CG 3.82Å; I142-M146 WeakPolarHBondContact O-CB 3.46Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 2.89Å; M146-V148 PolarHBondContact O-N 3.47Å; M146-F149 HydrophobicContact CB-CD2 3.66Å; M146-F149 HydrophobicContact CB-CE2 4.3Å; M146-F149 HydrophobicContact CB-CG 4.45Å; M146-F149 HydrophobicContact CG-CD2 4.23Å; M146-F149 CarbonylContact O-C 3.4Å; M146-F149 PolarHBondContact O-N 2.87Å; M146-S150 PolarHBondContact O-N 3.44Å; M146-S150 VanDerWaalsContact O-N 3.12Å
147	K	78.4	Confident	80.2	Confident	191 Å²	191	84.1 Å²	84.1	83%	0.83	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.7	175.7	-164.6	177.6	-177.7	-178.3	0	113.4	V145 F149 S150	V145-K147 PolarHBondContact O-N 2.94Å; K147-F149 VanDerWaalsContact C-N 3.28Å; K147-F149 PolarHBondContact O-N 3.31Å; K147-S150 PolarHBondContact O-OG 2.8Å
148	V	74.2	Confident	79.7	Confident	109 Å²	109	81.8 Å²	81.8	66%	0.661	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.4	176.6	-176.8	0	0	0	0	111.8	M146	M146-V148 PolarHBondContact O-N 3.47Å
149	F	76.5	Confident	79.1	Confident	57 Å²	57	81.4 Å²	81.4	25%	0.25	42%	0.417	C	S	.	.	S	Bend	trans	-110.7	10.3	-176.5	-52.5	-50.4	0	0	0	112.4	H143 M146 K147 N151 H152	H143-F149 HydrophobicContact CB-CB 4.27Å; H143-F149 AromaticContact CD2-CG 3.77Å; H143-F149 VanDerWaalsContact O-CB 3.3Å; H143-F149 WeakPolarHBondContact O-CB 3.48Å; M146-F149 HydrophobicContact CB-CD2 3.66Å; M146-F149 HydrophobicContact CB-CE2 4.3Å; M146-F149 HydrophobicContact CB-CG 4.45Å; M146-F149 HydrophobicContact CG-CD2 4.23Å; M146-F149 CarbonylContact O-C 3.4Å; M146-F149 PolarHBondContact O-N 2.87Å; K147-F149 VanDerWaalsContact C-N 3.28Å; K147-F149 PolarHBondContact O-N 3.31Å; F149-N151 PolarHBondContact O-N 3.47Å; F149-H152 HydrophobicContact CB-CB 4.44Å; F149-H152 AromaticContact CD1-CE1 3.6Å; F149-H152 AromaticContact CD1-ND1 3.76Å; F149-H152 VanDerWaalsContact O-CB 3.27Å; F149-H152 WeakPolarHBondContact O-CB 3.38Å; F149-H152 PolarHBondContact O-N 3.47Å
150	S	72.9	Confident	78.3	Confident	72 Å²	72	87.6 Å²	87.6	50%	0.503	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.7	-174.2	61.4	0	0	0	0	113.7	M146 K147	M146-S150 PolarHBondContact O-N 3.44Å; M146-S150 VanDerWaalsContact O-N 3.12Å; K147-S150 PolarHBondContact O-OG 2.8Å
151	N	73.1	Confident	77.5	Confident	135 Å²	135	85.1 Å²	85.1	72%	0.722	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	6.9	-179.2	-58.1	-0.1	0	0	0	112.1	H130 F149	H130-N151 PolarHBondContact NE2-O 2.71Å; F149-N151 PolarHBondContact O-N 3.47Å
152	H	77.6	Confident	76.9	Confident	51 Å²	51	84.2 Å²	84.2	24%	0.236	43%	0.428	C	S	.	.			trans	-87.3	120	-178.7	-72.7	-155	0	0	0	110.8	H130 C131 F149	H130-H152 HydrophobicContact CB-CB 4.21Å; H130-H152 VanDerWaalsContact CD2-CA 3.45Å; H130-H152 WeakPolarHBondContact CD2-CA 3.42Å; H130-H152 AromaticContact CG-CD2 3.97Å; C131-H152 PolarHBondContact SG-CE1 3.12Å; C131-H152 PolarHBondContact SG-ND1 3.34Å; F149-H152 HydrophobicContact CB-CB 4.44Å; F149-H152 AromaticContact CD1-CE1 3.6Å; F149-H152 AromaticContact CD1-ND1 3.76Å; F149-H152 VanDerWaalsContact O-CB 3.27Å; F149-H152 WeakPolarHBondContact O-CB 3.38Å; F149-H152 PolarHBondContact O-N 3.47Å
153	E	77.7	Confident	76.1	Confident	114 Å²	114	82.5 Å²	82.5	53%	0.533	43%	0.431	S	S	.	.			trans	-77.8	131.8	171.4	-167.9	175.8	-174.3	0	0	111.6	L129 H130	L129-E153 HydrophobicContact CB-CB 4.5Å; L129-E153 HydrophobicContact CD1-CB 3.91Å; L129-E153 HydrophobicContact CD1-CG 3.86Å; L129-E153 WeakPolarHBondContact CD1-OE2 3.21Å; L129-E153 PolarHBondContact N-O 3.45Å; H130-E153 PolarHBondContact CD2-N 3.02Å; H130-E153 PolarHBondContact NE2-N 3.17Å
154	I	82.1	Confident	75.5	Confident	31 Å²	31	86.4 Å²	86.4	16%	0.159	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.7	-176.3	-52.3	170.3	0	0	0	108.9	Y126 R127 L135 R140 H143 K144	Y126-I154 HydrophobicContact CG-CG2 4.4Å; R127-I154 WeakPolarHBondContact O-CA 3.17Å; L135-I154 HydrophobicContact CD1-CD1 4.21Å; L135-I154 HydrophobicContact CD1-CG1 4.36Å; L135-I154 HydrophobicContact CD1-CG2 4.15Å; R140-I154 HydrophobicContact CG-CD1 4.05Å; R140-I154 HydrophobicContact CG-CG2 4.14Å; H143-I154 HydrophobicContact CB-CD1 3.57Å; K144-I154 HydrophobicContact CG-CD1 4.33Å
155	L	80.7	Confident	74.6	Confident	59 Å²	59	83.4 Å²	83.4	31%	0.309	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.8	179.6	-60.6	177.4	0	0	0	110.9	Y126 R127 L129	Y126-L155 CarbonylContact C-O 3.54Å; Y126-L155 WeakPolarHBondContact CA-O 3.49Å; R127-L155 HydrophobicContact CG-CB 4.27Å; R127-L155 PolarHBondContact N-O 3.45Å; R127-L155 PolarHBondContact O-N 2.91Å; L129-L155 HydrophobicContact CD1-CD1 3.88Å; L129-L155 HydrophobicContact CD1-CG 4.18Å; L129-L155 HydrophobicContact CD2-CD1 4.01Å; L129-L155 HydrophobicContact CG-CD1 4.05Å; L129-L155 HydrophobicContact CG-CG 4.35Å
156	D	81.3	Confident	73.7	Confident	102 Å²	102	85.2 Å²	85.2	55%	0.545	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.9	173.2	-60.3	-3.8	0	0	0	109.2	Y126	Y126-D156 HydrophobicContact CD1-CB 4.45Å; Y126-D156 WeakPolarHBondContact CD1-OD1 3.12Å; Y126-D156 WeakPolarHBondContact CE1-OD1 3.33Å
157	L	78.7	Confident	73	Confident	8 Å²	8	83.3 Å²	83.3	4%	0.042	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-71.1	131.3	175.8	-69.2	-178.5	0	0	0	110.4	A124 L125 R127 E161 K162 L168	A124-L157 HydrophobicContact CB-CD1 3.77Å; L125-L157 PolarHBondContact O-N 2.77Å; R127-L157 HydrophobicContact CB-CD2 3.8Å; R127-L157 HydrophobicContact CG-CD2 3.84Å; L157-E161 HydrophobicContact CB-CB 4.38Å; L157-E161 HydrophobicContact CD2-CB 4.17Å; L157-K162 HydrophobicContact CB-CG 3.93Å; L157-K162 WeakPolarHBondContact O-CE 3.36Å; L157-L168 HydrophobicContact CD1-CD2 4.43Å; L157-L168 HydrophobicContact CD2-CD1 3.35Å; L157-L168 HydrophobicContact CD2-CD2 4.4Å
158	T	75	Confident	72.2	Confident	72 Å²	72	74.5 Å²	74.5	44%	0.442	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-68	157.4	171.8	58.8	0	0	0	0	111	E160 E161 K162	T158-E160 PolarHBondContact O-N 3.08Å; T158-E161 PolarHBondContact N-OE2 3.5Å; T158-E161 WeakPolarHBondContact O-CB 3.32Å; T158-E161 PolarHBondContact O-N 3Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 VanDerWaalsContact OG1-CD 3.28Å; T158-E161 WeakPolarHBondContact OG1-CG 3.4Å; T158-E161 PolarHBondContact OG1-N 3.19Å; T158-E161 PolarHBondContact OG1-OE2 3.29Å; T158-K162 WeakPolarHBondContact O-CG 3.41Å; T158-K162 PolarHBondContact O-N 3.22Å
159	E	74.1	Confident	71.6	Confident	142 Å²	142	75.5 Å²	75.5	66%	0.664	40%	0.4	S	S	*	.	H	α-helix	trans	-60.1	-30.5	178.5	-64.2	-57.2	120.8	0	0	112.4	K162 G163	E159-K162 IonicContact OE1-NZ 3.73Å; E159-K162 PolarHBondContact OE1-NZ 3.27Å; E159-G163 PolarHBondContact O-N 2.98Å
160	E	70.5	Confident	70.8	Confident	138 Å²	138	79.2 Å²	79.2	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-65.6	-42.1	172.6	-64.8	-178.9	-178	0	0	112.1	T158 G163 N164	T158-E160 PolarHBondContact O-N 3.08Å; E160-G163 PolarHBondContact O-N 3.44Å; E160-N164 PolarHBondContact O-N 3.13Å
161	E	68.4	Low	70.4	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.028	40%	0.399	C	S	.	.	H	α-helix	trans	-71	-33.6	177.7	-75.5	169.8	149.3	0	0	112.7	V113 R127 L157 T158 G163 L168 N171	V113-E161 VanDerWaalsContact CG2-O 3.24Å; V113-E161 WeakPolarHBondContact CG2-O 3.38Å; R127-E161 IonicContact NE-OE1 3.98Å; L157-E161 HydrophobicContact CB-CB 4.38Å; L157-E161 HydrophobicContact CD2-CB 4.17Å; T158-E161 PolarHBondContact N-OE2 3.5Å; T158-E161 WeakPolarHBondContact O-CB 3.32Å; T158-E161 PolarHBondContact O-N 3Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 VanDerWaalsContact OG1-CD 3.28Å; T158-E161 WeakPolarHBondContact OG1-CG 3.4Å; T158-E161 PolarHBondContact OG1-N 3.19Å; T158-E161 PolarHBondContact OG1-OE2 3.29Å; E161-G163 VanDerWaalsContact C-N 3.31Å; E161-L168 HydrophobicContact CB-CB 4.23Å; E161-L168 HydrophobicContact CB-CD1 4.08Å; E161-L168 HydrophobicContact CG-CB 4.32Å; E161-L168 HydrophobicContact CG-CD1 4.09Å; E161-N171 PolarHBondContact OE1-ND2 3.22Å
162	K	70.7	Confident	69.9	Low	61 Å²	61	72.3 Å²	72.3	27%	0.265	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-33.6	175.3	-71	177.8	-172.3	166.6	0	112.4	V113 L157 T158 E159	V113-K162 PolarHBondContact N-O 2.89Å; L157-K162 HydrophobicContact CB-CG 3.93Å; L157-K162 WeakPolarHBondContact O-CE 3.36Å; T158-K162 WeakPolarHBondContact O-CG 3.41Å; T158-K162 PolarHBondContact O-N 3.22Å; E159-K162 IonicContact OE1-NZ 3.73Å; E159-K162 PolarHBondContact OE1-NZ 3.27Å
163	G	67.3	Low	69.1	Low	46 Å²	46	75.7 Å²	75.7	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-85.7	-29.4	-179.2	0	0	0	0	0	114.4	E159 E160 E161	E159-G163 PolarHBondContact O-N 2.98Å; E160-G163 PolarHBondContact O-N 3.44Å; E161-G163 VanDerWaalsContact C-N 3.31Å
164	N	68.3	Low	68.2	Low	89 Å²	89	75.6 Å²	75.6	48%	0.476	39%	0.392	S	S	.	.			trans	-125.7	101.2	-175.8	-79.1	-34.8	0	0	0	112.1	E160 E166 I167 L168	E160-N164 PolarHBondContact O-N 3.13Å; N164-E166 PolarHBondContact O-N 2.82Å; N164-I167 HydrophobicContact CB-CB 4.03Å; N164-I167 HydrophobicContact CB-CD1 3.77Å; N164-I167 HydrophobicContact CB-CG1 3.8Å; N164-I167 WeakPolarHBondContact ND2-CD1 3.18Å; N164-I167 PolarHBondContact O-N 2.93Å; N164-L168 PolarHBondContact O-N 3.46Å; N164-L168 VanDerWaalsContact O-N 3.14Å
165	A	62.5	Low	67.1	Low	56 Å²	56	76.7 Å²	76.7	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-56.6	-32	174.4	0	0	0	0	0	112.9	V113 L168 Q169	V113-A165 HydrophobicContact CG2-CB 4.18Å; A165-L168 PolarHBondContact O-N 2.99Å; A165-Q169 WeakPolarHBondContact O-CB 3.28Å; A165-Q169 PolarHBondContact O-N 2.87Å
166	E	61.6	Low	66.2	Low	163 Å²	163	80.8 Å²	80.8	76%	0.762	42%	0.415	S	S	*	.	H	α-helix	trans	-68.1	-45.8	178.1	-65.9	-179.4	178.7	0	0	112.9	N164 L168 Q169 R170	N164-E166 PolarHBondContact O-N 2.82Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 2.8Å; E166-Q169 PolarHBondContact O-N 2.81Å; E166-R170 WeakPolarHBondContact O-CB 3.44Å; E166-R170 PolarHBondContact O-N 2.81Å
167	I	60.9	Low	65.3	Low	47 Å²	47	80 Å²	80	24%	0.241	42%	0.416	C	S	.	.	H	α-helix	trans	-61.3	-43.6	176.5	-64.1	178.9	0	0	0	109.2	N164 R170 N171	N164-I167 HydrophobicContact CB-CB 4.03Å; N164-I167 HydrophobicContact CB-CD1 3.77Å; N164-I167 HydrophobicContact CB-CG1 3.8Å; N164-I167 WeakPolarHBondContact ND2-CD1 3.18Å; N164-I167 PolarHBondContact O-N 2.93Å; I167-R170 PolarHBondContact O-N 2.82Å; I167-N171 WeakPolarHBondContact O-CB 3.42Å; I167-N171 PolarHBondContact O-N 2.85Å; I167-N171 PolarHBondContact O-OD1 2.85Å
168	L	61.9	Low	64.9	Low	6 Å²	6	83.9 Å²	83.9	3%	0.031	44%	0.44	C	S	.	.	H	α-helix	trans	-61.3	-49.4	176.7	174.9	66	0	0	0	112.1	V113 T134 L157 E161 N164 A165 E166 R170 N171 M172	V113-L168 HydrophobicContact CB-CD2 4.21Å; V113-L168 HydrophobicContact CG1-CD2 3.4Å; V113-L168 VanDerWaalsContact CG1-CD2 3.4Å; V113-L168 HydrophobicContact CG2-CD2 3.95Å; T134-L168 HydrophobicContact CG2-CD2 3.53Å; T134-L168 HydrophobicContact CG2-CG 4.48Å; L157-L168 HydrophobicContact CD1-CD2 4.43Å; L157-L168 HydrophobicContact CD2-CD1 3.35Å; L157-L168 HydrophobicContact CD2-CD2 4.4Å; E161-L168 HydrophobicContact CB-CB 4.23Å; E161-L168 HydrophobicContact CB-CD1 4.08Å; E161-L168 HydrophobicContact CG-CB 4.32Å; E161-L168 HydrophobicContact CG-CD1 4.09Å; N164-L168 PolarHBondContact O-N 3.46Å; N164-L168 VanDerWaalsContact O-N 3.14Å; A165-L168 PolarHBondContact O-N 2.99Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 2.8Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 2.88Å; L168-N171 PolarHBondContact O-N 3.46Å; L168-M172 HydrophobicContact CD1-CG 3.96Å; L168-M172 HydrophobicContact CD1-SD 3.74Å; L168-M172 HydrophobicContact CD2-SD 4.23Å; L168-M172 HydrophobicContact CG-CG 4.3Å; L168-M172 HydrophobicContact CG-SD 3.67Å; L168-M172 WeakPolarHBondContact O-CB 3.47Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.44Å
169	Q	61.3	Low	65	Low	131 Å²	131	85.4 Å²	85.4	61%	0.612	44%	0.444	S	S	*	.	H	α-helix	trans	-64.2	-38.4	-178.6	-169.3	146.5	-3.9	0	0	111.6	A165 E166 M172 L173	A165-Q169 WeakPolarHBondContact O-CB 3.28Å; A165-Q169 PolarHBondContact O-N 2.87Å; E166-Q169 PolarHBondContact O-N 2.81Å; Q169-M172 PolarHBondContact O-N 2.88Å; Q169-L173 HydrophobicContact CG-CD1 4.46Å; Q169-L173 WeakPolarHBondContact O-CB 3.04Å; Q169-L173 WeakPolarHBondContact O-CG 3.2Å; Q169-L173 PolarHBondContact O-N 3.24Å
170	R	60.6	Low	65.1	Low	135 Å²	135	78.8 Å²	78.8	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-46.4	171.6	-172	-176.5	64.2	82.6	9.7	112.1	E166 I167 L168 M172 L173 N174	E166-R170 WeakPolarHBondContact O-CB 3.44Å; E166-R170 PolarHBondContact O-N 2.81Å; I167-R170 PolarHBondContact O-N 2.82Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 2.88Å; R170-M172 VanDerWaalsContact C-N 3.33Å; R170-M172 PolarHBondContact O-N 3.28Å; R170-L173 PolarHBondContact O-N 3.45Å; R170-N174 WeakPolarHBondContact O-CB 2.87Å; R170-N174 PolarHBondContact O-N 2.9Å; R170-N174 PolarHBondContact O-ND2 3.49Å
171	N	63.5	Low	65.3	Low	40 Å²	40	78.5 Å²	78.5	21%	0.214	42%	0.421	C	S	.	.	H	α-helix	trans	-62.8	-40.5	176.7	-74.5	-5.9	0	0	0	111.5	E161 I167 L168 N174 T175	E161-N171 PolarHBondContact OE1-ND2 3.22Å; I167-N171 WeakPolarHBondContact O-CB 3.42Å; I167-N171 PolarHBondContact O-N 2.85Å; I167-N171 PolarHBondContact O-OD1 2.85Å; L168-N171 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact O-N 3.01Å; N171-T175 WeakPolarHBondContact O-CG2 3.46Å; N171-T175 PolarHBondContact O-N 2.76Å; N171-T175 VanDerWaalsContact O-N 3.11Å; N171-T175 PolarHBondContact O-OG1 2.78Å
172	M	62.3	Low	65.7	Low	22 Å²	22	83.6 Å²	83.6	11%	0.108	45%	0.447	C	S	.	.	H	α-helix	trans	-64.8	-42.9	178.2	-72.2	174.9	74.6	0	0	112.1	A132 G133 T134 L168 Q169 R170 T175	A132-M172 WeakPolarHBondContact O-CE 3.48Å; G133-M172 VanDerWaalsContact C-CE 3.47Å; G133-M172 VanDerWaalsContact CA-CE 3.42Å; T134-M172 HydrophobicContact CG2-CE 4.46Å; T134-M172 HydrophobicContact CG2-SD 4.12Å; L168-M172 HydrophobicContact CD1-CG 3.96Å; L168-M172 HydrophobicContact CD1-SD 3.74Å; L168-M172 HydrophobicContact CD2-SD 4.23Å; L168-M172 HydrophobicContact CG-CG 4.3Å; L168-M172 HydrophobicContact CG-SD 3.67Å; L168-M172 WeakPolarHBondContact O-CB 3.47Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.44Å; Q169-M172 PolarHBondContact O-N 2.88Å; R170-M172 VanDerWaalsContact C-N 3.33Å; R170-M172 PolarHBondContact O-N 3.28Å; M172-T175 PolarHBondContact O-N 2.8Å; M172-T175 PolarHBondContact O-OG1 2.98Å
173	L	61.5	Low	66	Low	122 Å²	122	82.4 Å²	82.4	64%	0.639	44%	0.443	S	S	*	.	H	α-helix	trans	-61.7	-42.4	173.6	-74.5	164.7	0	0	0	111.9	Q169 R170 T175 K176	Q169-L173 HydrophobicContact CG-CD1 4.46Å; Q169-L173 WeakPolarHBondContact O-CB 3.04Å; Q169-L173 WeakPolarHBondContact O-CG 3.2Å; Q169-L173 PolarHBondContact O-N 3.24Å; R170-L173 PolarHBondContact O-N 3.45Å; L173-T175 VanDerWaalsContact C-N 3.28Å; L173-T175 PolarHBondContact O-N 2.94Å; L173-K176 PolarHBondContact O-N 3.2Å
174	N	59.2	Low	66.5	Low	111 Å²	111	84.3 Å²	84.3	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-69.4	-21.4	-179.8	-70.7	-13.8	0	0	0	114	R170 N171	R170-N174 WeakPolarHBondContact O-CB 2.87Å; R170-N174 PolarHBondContact O-N 2.9Å; R170-N174 PolarHBondContact O-ND2 3.49Å; N171-N174 PolarHBondContact O-N 3.01Å
175	T	57.9	Low	66.9	Low	54 Å²	54	86.8 Å²	86.8	33%	0.331	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.5	178.6	53.1	0	0	0	0	114.5	L129 N171 M172 L173 P177	L129-T175 HydrophobicContact CD2-CG2 3.98Å; N171-T175 WeakPolarHBondContact O-CG2 3.46Å; N171-T175 PolarHBondContact O-N 2.76Å; N171-T175 VanDerWaalsContact O-N 3.11Å; N171-T175 PolarHBondContact O-OG1 2.78Å; M172-T175 PolarHBondContact O-N 2.8Å; M172-T175 PolarHBondContact O-OG1 2.98Å; L173-T175 VanDerWaalsContact C-N 3.28Å; L173-T175 PolarHBondContact O-N 2.94Å; T175-P177 VanDerWaalsContact O-CD 3.31Å; T175-P177 WeakPolarHBondContact O-CD 3.48Å
176	K	61.6	Low	67.8	Low	145 Å²	145	85 Å²	85	63%	0.63	44%	0.44	S	S	*	.	S	Bend	trans	-69.5	119.8	178	-173.7	178.8	178.7	-177.9	0	109.2	L173 V178	L173-K176 PolarHBondContact O-N 3.2Å; K176-V178 PolarHBondContact O-N 2.81Å; K176-V178 VanDerWaalsContact O-N 3.15Å
177	P	63.9	Low	68.7	Low	86 Å²	86	80.1 Å²	80.1	56%	0.558	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-63.9	119.3	176	23.6	-30.7	0	0	0	109.9	T175 T187	T175-P177 VanDerWaalsContact O-CD 3.31Å; T175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-T187 HydrophobicContact CB-CG2 3.83Å
178	V	70.4	Confident	69.6	Low	90 Å²	90	79.6 Å²	79.6	55%	0.545	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-93.4	123.4	175.1	-175.4	0	0	0	0	108.4	K176 T187 F188	K176-V178 PolarHBondContact O-N 2.81Å; K176-V178 VanDerWaalsContact O-N 3.15Å; V178-T187 WeakPolarHBondContact O-CA 3.39Å; V178-F188 HydrophobicContact CB-CD2 4.15Å; V178-F188 HydrophobicContact CG1-CD2 3.89Å; V178-F188 HydrophobicContact CG1-CE2 4.09Å; V178-F188 WeakPolarHBondContact O-CD2 3.39Å; V178-F188 PolarHBondContact O-N 2.89Å
179	I	75.9	Confident	70.5	Confident	103 Å²	103	82.5 Å²	82.5	53%	0.528	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-76.8	148	-179.6	54.5	169.9	0	0	0	111.6	T187 F188	I179-T187 HydrophobicContact CG2-CG2 4.31Å; I179-F188 WeakPolarHBondContact O-CE2 3.27Å
180	C	75.8	Confident	71.4	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.02	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-69.8	137.3	175.3	179	0	0	0	0	111	I182 H183 P184 S186 F188 C200 C203	C180-I182 VanDerWaalsContact C-N 3.3Å; C180-I182 PolarHBondContact O-N 3.09Å; C180-I182 PolarHBondContact SG-N 3.48Å; C180-I182 VanDerWaalsContact SG-N 3.43Å; C180-H183 HydrophobicContact CB-CB 4.09Å; C180-H183 WeakPolarHBondContact CB-O 3.48Å; C180-H183 CarbonylContact O-C 3.6Å; C180-H183 PolarHBondContact SG-N 3.42Å; C180-H183 VanDerWaalsContact SG-N 3.38Å; C180-P184 WeakPolarHBondContact O-CA 2.83Å; C180-S186 PolarHBondContact N-O 3.3Å; C180-F188 VanDerWaalsContact CA-CZ 3.48Å; C180-F188 HydrophobicContact CB-CD1 4.24Å; C180-F188 HydrophobicContact CB-CE1 3.8Å; C180-F188 HydrophobicContact CB-CZ 4.02Å; C180-C200 HydrophobicContact CB-CB 3.93Å; C180-C200 VanDerWaalsContact SG-SG 3.63Å; C180-C203 VanDerWaalsContact SG-SG 3.69Å
181	T	76.6	Confident	72.6	Confident	132 Å²	132	71.7 Å²	71.7	81%	0.81	39%	0.392	S	S	*	.	S	Bend	trans	-69.7	-28.5	178.3	48.6	0	0	0	0	112.8
182	I	76.5	Confident	73.4	Confident	113 Å²	113	69.8 Å²	69.8	58%	0.579	38%	0.381	S	S	*	.	S	Bend	trans	-90.8	-35.4	178.9	-56.3	170.4	0	0	0	110.6	C180 P184	C180-I182 VanDerWaalsContact C-N 3.3Å; C180-I182 PolarHBondContact O-N 3.09Å; C180-I182 PolarHBondContact SG-N 3.48Å; C180-I182 VanDerWaalsContact SG-N 3.43Å; I182-P184 WeakPolarHBondContact O-CD 3.2Å
183	H	77.1	Confident	74.2	Confident	37 Å²	37	70.7 Å²	70.7	17%	0.171	39%	0.386	C	S	.	.			trans	-124.1	79.2	-176.4	-55.8	111.5	0	0	0	110	C180 E185 S186 T202 C203	C180-H183 HydrophobicContact CB-CB 4.09Å; C180-H183 WeakPolarHBondContact CB-O 3.48Å; C180-H183 CarbonylContact O-C 3.6Å; C180-H183 PolarHBondContact SG-N 3.42Å; C180-H183 VanDerWaalsContact SG-N 3.38Å; H183-E185 WeakPolarHBondContact CB-OE1 3.25Å; H183-E185 IonicContact CD2-OE1 2.98Å; H183-E185 IonicContact CG-OE1 3.53Å; H183-E185 PolarHBondContact O-N 2.95Å; H183-S186 VanDerWaalsContact CB-OG 3.23Å; H183-S186 WeakPolarHBondContact CB-OG 3.5Å; H183-S186 PolarHBondContact O-N 3.44Å; H183-S186 PolarHBondContact O-OG 3.07Å; H183-T202 WeakPolarHBondContact CB-OG1 3.41Å; H183-T202 PolarHBondContact ND1-OG1 3.48Å; H183-T202 VanDerWaalsContact ND1-OG1 3.16Å; H183-C203 PolarHBondContact CE1-SG 3.22Å; H183-C203 PolarHBondContact ND1-SG 3.21Å
184	P	77.6	Confident	75	Confident	86 Å²	86	69.7 Å²	69.7	56%	0.558	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.4	-175.2	23.6	-33.5	0	0	0	114.1	C180 I182 S186	C180-P184 WeakPolarHBondContact O-CA 2.83Å; I182-P184 WeakPolarHBondContact O-CD 3.2Å; P184-S186 VanDerWaalsContact C-N 3.35Å
185	E	76.8	Confident	75.8	Confident	140 Å²	140	66.7 Å²	66.7	65%	0.654	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.2	173.8	66.4	-80.3	-177.4	0	0	114.6	H183	H183-E185 WeakPolarHBondContact CB-OE1 3.25Å; H183-E185 IonicContact CD2-OE1 2.98Å; H183-E185 IonicContact CG-OE1 3.53Å; H183-E185 PolarHBondContact O-N 2.95Å
186	S	81.2	Confident	76.8	Confident	19 Å²	19	69.6 Å²	69.6	13%	0.133	38%	0.375	C	S	.	.	S	Bend	trans	-121.5	148.2	-175.5	62.7	0	0	0	0	112.1	C180 H183 P184 C200 T202	C180-S186 PolarHBondContact N-O 3.3Å; H183-S186 VanDerWaalsContact CB-OG 3.23Å; H183-S186 WeakPolarHBondContact CB-OG 3.5Å; H183-S186 PolarHBondContact O-N 3.44Å; H183-S186 PolarHBondContact O-OG 3.07Å; P184-S186 VanDerWaalsContact C-N 3.35Å; S186-C200 WeakPolarHBondContact OG-CB 3.47Å; S186-C200 PolarHBondContact OG-SG 3.38Å; S186-T202 PolarHBondContact OG-OG1 2.98Å
187	T	79.5	Confident	77.7	Confident	61 Å²	61	66.2 Å²	66.2	37%	0.374	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-99.3	151.6	179.3	56.8	0	0	0	0	109.9	P177 V178 I179 T189 C200	P177-T187 HydrophobicContact CB-CG2 3.83Å; V178-T187 WeakPolarHBondContact O-CA 3.39Å; I179-T187 HydrophobicContact CG2-CG2 4.31Å; T187-T189 PolarHBondContact O-N 3.49Å; T187-C200 WeakPolarHBondContact O-CA 3.41Å; T187-C200 WeakPolarHBondContact O-CB 3.45Å
188	F	81.1	Confident	78.6	Confident	36 Å²	36	64.7 Å²	64.7	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.2	175.2	-65.1	-61.8	0	0	0	110.2	V178 I179 C180 P198	V178-F188 HydrophobicContact CB-CD2 4.15Å; V178-F188 HydrophobicContact CG1-CD2 3.89Å; V178-F188 HydrophobicContact CG1-CE2 4.09Å; V178-F188 WeakPolarHBondContact O-CD2 3.39Å; V178-F188 PolarHBondContact O-N 2.89Å; I179-F188 WeakPolarHBondContact O-CE2 3.27Å; C180-F188 VanDerWaalsContact CA-CZ 3.48Å; C180-F188 HydrophobicContact CB-CD1 4.24Å; C180-F188 HydrophobicContact CB-CE1 3.8Å; C180-F188 HydrophobicContact CB-CZ 4.02Å; F188-P198 HydrophobicContact CB-CB 4.14Å; F188-P198 HydrophobicContact CD1-CB 3.75Å; F188-P198 HydrophobicContact CD1-CG 4.1Å; F188-P198 WeakPolarHBondContact CD1-O 3.38Å; F188-P198 HydrophobicContact CD2-CB 4.35Å; F188-P198 HydrophobicContact CD2-CG 4.39Å; F188-P198 HydrophobicContact CE1-CB 4.12Å; F188-P198 HydrophobicContact CE1-CG 3.97Å; F188-P198 VanDerWaalsContact CE1-O 3.27Å; F188-P198 WeakPolarHBondContact CE1-O 3.44Å; F188-P198 HydrophobicContact CE2-CG 4.27Å; F188-P198 HydrophobicContact CG-CB 3.85Å; F188-P198 HydrophobicContact CG-CG 4.29Å; F188-P198 HydrophobicContact CZ-CG 4.03Å
189	T	79.4	Confident	79.1	Confident	67 Å²	67	60.4 Å²	60.4	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-30.4	-177.9	54.1	0	0	0	0	112.4	T187 L199 L216	T187-T189 PolarHBondContact O-N 3.49Å; T189-L199 PolarHBondContact N-O 3.49Å; T189-L216 PolarHBondContact O-N 2.86Å; T189-L216 VanDerWaalsContact O-N 3.08Å
190	S	81.9	Confident	79.6	Confident	13 Å²	13	55.5 Å²	55.5	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	167.3	-176.1	58	0	0	0	0	111.6	P198 L199 I214	S190-P198 CarbonylContact O-C 3.57Å; S190-L199 PolarHBondContact N-O 2.8Å; S190-L199 PolarHBondContact O-N 3.25Å; S190-L199 WeakPolarHBondContact OG-CB 3.34Å; S190-I214 CarbonylContact C-O 3.59Å; S190-I214 WeakPolarHBondContact CA-O 3.45Å; S190-I214 WeakPolarHBondContact CB-O 3.46Å
191	F	84.2	Confident	79.9	Confident	26 Å²	26	62.1 Å²	62.1	11%	0.114	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.8	176.3	178.6	-96.4	0	0	0	109.1	L193 H196 T213 I214 L216 V219	F191-L193 HydrophobicContact CD1-CD2 3.97Å; F191-L193 HydrophobicContact CE1-CD2 4.01Å; F191-H196 HydrophobicContact CZ-CB 4.21Å; F191-T213 CarbonylContact O-C 3.44Å; F191-T213 WeakPolarHBondContact O-CA 3.36Å; F191-I214 HydrophobicContact CB-CG1 4.13Å; F191-I214 HydrophobicContact CD1-CD1 4.45Å; F191-I214 HydrophobicContact CD1-CG1 4.3Å; F191-I214 PolarHBondContact N-O 2.78Å; F191-I214 PolarHBondContact O-N 2.91Å; F191-L216 HydrophobicContact CB-CD1 4.41Å; F191-V219 HydrophobicContact CB-CG2 3.39Å; F191-V219 HydrophobicContact CD1-CG2 4.28Å; F191-V219 HydrophobicContact CG-CG1 4.4Å; F191-V219 HydrophobicContact CG-CG2 3.85Å
192	C	80.7	Confident	80.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.9	178.4	-170.3	0	0	0	0	110.6	Q194 C195 H196 I197 L199 H211	C192-Q194 VanDerWaalsContact C-N 3.32Å; C192-C195 HydrophobicContact CB-CB 4.09Å; C192-C195 PolarHBondContact SG-N 3.19Å; C192-C195 VanDerWaalsContact SG-N 3.37Å; C192-C195 VanDerWaalsContact SG-SG 3.68Å; C192-H196 VanDerWaalsContact O-CA 3.31Å; C192-H196 WeakPolarHBondContact O-CA 3.28Å; C192-H196 PolarHBondContact O-N 3.36Å; C192-I197 HydrophobicContact CB-CG1 4.5Å; C192-I197 PolarHBondContact N-O 2.93Å; C192-L199 HydrophobicContact CB-CD1 3.73Å; C192-L199 HydrophobicContact CB-CD2 4.36Å; C192-L199 HydrophobicContact CB-CG 3.99Å; C192-H211 VanDerWaalsContact SG-CB 3.52Å; C192-H211 PolarHBondContact SG-ND1 2.88Å; C192-H211 VanDerWaalsContact SG-ND1 3.41Å
193	L	79.4	Confident	80.5	Confident	41 Å²	41	53.2 Å²	53.2	22%	0.215	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.1	176.7	-66.8	179.8	0	0	0	112.5	F191 I212 I214	F191-L193 HydrophobicContact CD1-CD2 3.97Å; F191-L193 HydrophobicContact CE1-CD2 4.01Å; L193-I212 HydrophobicContact CB-CB 4.45Å; L193-I212 WeakPolarHBondContact CB-O 3.23Å; L193-I212 HydrophobicContact CD1-CG2 3.89Å; L193-I212 PolarHBondContact N-O 3.49Å; L193-I214 HydrophobicContact CD1-CG2 3.89Å; L193-I214 HydrophobicContact CD2-CD1 3.96Å; L193-I214 HydrophobicContact CD2-CG1 4.24Å; L193-I214 HydrophobicContact CG-CG1 4.43Å; L193-I214 HydrophobicContact CG-CG2 4.33Å
194	Q	78.1	Confident	80.8	Confident	100 Å²	100	54.9 Å²	54.9	47%	0.467	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-43.4	174.2	-98.9	88.2	-10.4	0	0	112.8	C192 H211 I212	C192-Q194 VanDerWaalsContact C-N 3.32Å; Q194-H211 HydrophobicContact CB-CB 4.32Å; Q194-I212 VanDerWaalsContact OE1-CG1 3.3Å
195	C	75.3	Confident	81	Confident	48 Å²	48	57 Å²	57	32%	0.324	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-8.9	-171.4	-59.3	0	0	0	0	113.9	C192 I197 H208 H211	C192-C195 HydrophobicContact CB-CB 4.09Å; C192-C195 PolarHBondContact SG-N 3.19Å; C192-C195 VanDerWaalsContact SG-N 3.37Å; C192-C195 VanDerWaalsContact SG-SG 3.68Å; C195-I197 VanDerWaalsContact C-N 3.27Å; C195-I197 HydrophobicContact CB-CD1 4.18Å; C195-I197 HydrophobicContact CB-CG1 3.73Å; C195-I197 PolarHBondContact O-N 3.38Å; C195-H208 PolarHBondContact SG-CE1 3.34Å; C195-H208 PolarHBondContact SG-ND1 2.85Å; C195-H208 VanDerWaalsContact SG-ND1 3.41Å; C195-H211 PolarHBondContact SG-CE1 3.05Å; C195-H211 PolarHBondContact SG-ND1 2.83Å
196	H	80.7	Confident	81.2	Confident	115 Å²	115	54.8 Å²	54.8	53%	0.532	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	35.7	-177.4	-56.1	92.8	0	0	0	114.5	F191 C192	F191-H196 HydrophobicContact CZ-CB 4.21Å; C192-H196 VanDerWaalsContact O-CA 3.31Å; C192-H196 WeakPolarHBondContact O-CA 3.28Å; C192-H196 PolarHBondContact O-N 3.36Å
197	I	79.9	Confident	81	Confident	75 Å²	75	61.1 Å²	61.1	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.9	179	52.9	170.1	0	0	0	111.7	C192 C195 L199 H208	C192-I197 HydrophobicContact CB-CG1 4.5Å; C192-I197 PolarHBondContact N-O 2.93Å; C195-I197 VanDerWaalsContact C-N 3.27Å; C195-I197 HydrophobicContact CB-CD1 4.18Å; C195-I197 HydrophobicContact CB-CG1 3.73Å; C195-I197 PolarHBondContact O-N 3.38Å; I197-L199 HydrophobicContact CD1-CD2 4.43Å; I197-L199 HydrophobicContact CG1-CD2 4.36Å; I197-H208 WeakPolarHBondContact CD1-NE2 3.23Å
198	P	82.3	Confident	81	Confident	53 Å²	53	59 Å²	59	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.8	173.3	31.5	-35	0	0	0	110.7	F188 S190 L216	F188-P198 HydrophobicContact CB-CB 4.14Å; F188-P198 HydrophobicContact CD1-CB 3.75Å; F188-P198 HydrophobicContact CD1-CG 4.1Å; F188-P198 WeakPolarHBondContact CD1-O 3.38Å; F188-P198 HydrophobicContact CD2-CB 4.35Å; F188-P198 HydrophobicContact CD2-CG 4.39Å; F188-P198 HydrophobicContact CE1-CB 4.12Å; F188-P198 HydrophobicContact CE1-CG 3.97Å; F188-P198 VanDerWaalsContact CE1-O 3.27Å; F188-P198 WeakPolarHBondContact CE1-O 3.44Å; F188-P198 HydrophobicContact CE2-CG 4.27Å; F188-P198 HydrophobicContact CG-CB 3.85Å; F188-P198 HydrophobicContact CG-CG 4.29Å; F188-P198 HydrophobicContact CZ-CG 4.03Å; S190-P198 CarbonylContact O-C 3.57Å; P198-L216 HydrophobicContact CB-CD1 4.31Å
199	L	81.6	Confident	80.9	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.9	-176.3	-59	-179.1	0	0	0	110.6	T189 S190 C192 I197 C203 F204 H208 T213	T189-L199 PolarHBondContact N-O 3.49Å; S190-L199 PolarHBondContact N-O 2.8Å; S190-L199 PolarHBondContact O-N 3.25Å; S190-L199 WeakPolarHBondContact OG-CB 3.34Å; C192-L199 HydrophobicContact CB-CD1 3.73Å; C192-L199 HydrophobicContact CB-CD2 4.36Å; C192-L199 HydrophobicContact CB-CG 3.99Å; I197-L199 HydrophobicContact CD1-CD2 4.43Å; I197-L199 HydrophobicContact CG1-CD2 4.36Å; L199-C203 HydrophobicContact CB-CB 4.4Å; L199-C203 HydrophobicContact CD2-CB 3.99Å; L199-F204 HydrophobicContact CD1-CB 4.35Å; L199-F204 HydrophobicContact CD1-CD2 4.07Å; L199-H208 HydrophobicContact CD1-CB 3.81Å; L199-H208 HydrophobicContact CD2-CB 4.23Å; L199-H208 WeakPolarHBondContact CD2-CD2 3.4Å; L199-T213 HydrophobicContact CD1-CG2 3.72Å
200	C	85.8	Confident	81	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	169.6	158.2	63.1	0	0	0	0	110	C180 S186 T187 T202 C203 F204	C180-C200 HydrophobicContact CB-CB 3.93Å; C180-C200 VanDerWaalsContact SG-SG 3.63Å; S186-C200 WeakPolarHBondContact OG-CB 3.47Å; S186-C200 PolarHBondContact OG-SG 3.38Å; T187-C200 WeakPolarHBondContact O-CA 3.41Å; T187-C200 WeakPolarHBondContact O-CB 3.45Å; C200-T202 VanDerWaalsContact C-N 3.26Å; C200-T202 PolarHBondContact O-N 3.48Å; C200-T202 PolarHBondContact SG-OG1 3.16Å; C200-C203 PolarHBondContact O-N 3.25Å; C200-C203 PolarHBondContact SG-N 2.75Å; C200-C203 VanDerWaalsContact SG-N 3.37Å; C200-C203 PolarHBondContact SG-SG 2.85Å; C200-F204 PolarHBondContact O-N 2.89Å
201	E	82.6	Confident	81.1	Confident	142 Å²	142	68.1 Å²	68.1	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-57.3	-39.1	-179.2	-165.1	168.8	-165.5	0	0	112.2	F204 E205	E201-F204 PolarHBondContact O-N 2.81Å; E201-E205 PolarHBondContact O-N 2.83Å
202	T	81.6	Confident	81	Confident	45 Å²	45	71.6 Å²	71.6	28%	0.276	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-42	176.7	50	0	0	0	0	112.9	H183 S186 C200 F204 E205 C206	H183-T202 WeakPolarHBondContact CB-OG1 3.41Å; H183-T202 PolarHBondContact ND1-OG1 3.48Å; H183-T202 VanDerWaalsContact ND1-OG1 3.16Å; S186-T202 PolarHBondContact OG-OG1 2.98Å; C200-T202 VanDerWaalsContact C-N 3.26Å; C200-T202 PolarHBondContact O-N 3.48Å; C200-T202 PolarHBondContact SG-OG1 3.16Å; T202-F204 VanDerWaalsContact C-N 3.29Å; T202-F204 PolarHBondContact O-N 3.04Å; T202-E205 PolarHBondContact O-N 3.17Å; T202-C206 WeakPolarHBondContact O-CB 3.36Å; T202-C206 PolarHBondContact O-N 2.99Å; T202-C206 PolarHBondContact O-SG 2.69Å
203	C	84.7	Confident	81.1	Confident	12 Å²	12	73.9 Å²	73.9	8%	0.081	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-38.4	174.6	-80.4	0	0	0	0	112.4	C180 H183 L199 C200 E207 H208	C180-C203 VanDerWaalsContact SG-SG 3.69Å; H183-C203 PolarHBondContact CE1-SG 3.22Å; H183-C203 PolarHBondContact ND1-SG 3.21Å; L199-C203 HydrophobicContact CB-CB 4.4Å; L199-C203 HydrophobicContact CD2-CB 3.99Å; C200-C203 PolarHBondContact O-N 3.25Å; C200-C203 PolarHBondContact SG-N 2.75Å; C200-C203 VanDerWaalsContact SG-N 3.37Å; C200-C203 PolarHBondContact SG-SG 2.85Å; C203-E207 PolarHBondContact O-N 3.18Å; C203-H208 PolarHBondContact O-N 3.06Å
204	F	82.6	Confident	81.3	Confident	73 Å²	73	73.6 Å²	73.6	32%	0.32	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-42	177.6	178.1	-104.3	0	0	0	111.9	L199 C200 E201 T202 H208 K209 T213	L199-F204 HydrophobicContact CD1-CB 4.35Å; L199-F204 HydrophobicContact CD1-CD2 4.07Å; C200-F204 PolarHBondContact O-N 2.89Å; E201-F204 PolarHBondContact O-N 2.81Å; T202-F204 VanDerWaalsContact C-N 3.29Å; T202-F204 PolarHBondContact O-N 3.04Å; F204-H208 CarbonylContact O-C 3.28Å; F204-H208 VanDerWaalsContact O-C 3.28Å; F204-K209 WeakPolarHBondContact O-CA 3.46Å; F204-K209 PolarHBondContact O-N 3.4Å; F204-T213 HydrophobicContact CD2-CG2 3.77Å; F204-T213 HydrophobicContact CE2-CG2 3.68Å
205	E	80.7	Confident	81.4	Confident	131 Å²	131	74.5 Å²	74.5	61%	0.612	40%	0.397	S	S	*	.	H	α-helix	trans	-76	-34.4	-179.9	-68	-168.2	157.3	0	0	113.9	E201 T202	E201-E205 PolarHBondContact O-N 2.83Å; T202-E205 PolarHBondContact O-N 3.17Å
206	C	82	Confident	81.4	Confident	92 Å²	92	75.6 Å²	75.6	62%	0.622	40%	0.399	S	S	*	.	H	α-helix	trans	-79.2	-62.7	-175	-67.3	0	0	0	0	113.2	T202	T202-C206 WeakPolarHBondContact O-CB 3.36Å; T202-C206 PolarHBondContact O-N 2.99Å; T202-C206 PolarHBondContact O-SG 2.69Å
207	E	77.6	Confident	81	Confident	152 Å²	152	73.4 Å²	73.4	71%	0.71	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-19	-168.9	-64.8	-166.5	166.3	0	0	113.8	C203	C203-E207 PolarHBondContact O-N 3.18Å
208	H	79.5	Confident	80.9	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.079	41%	0.414	C	S	.	.			trans	-114.7	18.5	-172.7	-63.5	-70.5	0	0	0	114.2	C195 I197 L199 C203 F204 G210 H211	C195-H208 PolarHBondContact SG-CE1 3.34Å; C195-H208 PolarHBondContact SG-ND1 2.85Å; C195-H208 VanDerWaalsContact SG-ND1 3.41Å; I197-H208 WeakPolarHBondContact CD1-NE2 3.23Å; L199-H208 HydrophobicContact CD1-CB 3.81Å; L199-H208 HydrophobicContact CD2-CB 4.23Å; L199-H208 WeakPolarHBondContact CD2-CD2 3.4Å; C203-H208 PolarHBondContact O-N 3.06Å; F204-H208 CarbonylContact O-C 3.28Å; F204-H208 VanDerWaalsContact O-C 3.28Å; H208-G210 PolarHBondContact O-N 3.06Å; H208-G210 VanDerWaalsContact O-N 3.11Å; H208-H211 AromaticContact CG-ND1 3.86Å; H208-H211 AromaticContact ND1-CE1 3.46Å; H208-H211 PolarHBondContact ND1-CE1 3.48Å; H208-H211 AromaticContact ND1-ND1 3.12Å; H208-H211 PolarHBondContact ND1-ND1 3.21Å; H208-H211 VanDerWaalsContact ND1-ND1 3.12Å; H208-H211 WeakPolarHBondContact O-CB 3.35Å; H208-H211 PolarHBondContact O-N 2.84Å
209	K	79.2	Confident	80.6	Confident	172 Å²	172	72.8 Å²	72.8	75%	0.748	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	113.5	-179.4	-170.7	174.7	-176.1	172.2	0	110.3	F204	F204-K209 WeakPolarHBondContact O-CA 3.46Å; F204-K209 PolarHBondContact O-N 3.4Å
210	G	80.3	Confident	80.3	Confident	71 Å²	71	76.8 Å²	76.8	73%	0.732	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	0.1	-178.1	0	0	0	0	0	114.8	H208	H208-G210 PolarHBondContact O-N 3.06Å; H208-G210 VanDerWaalsContact O-N 3.11Å
211	H	84.7	Confident	79.9	Confident	64 Å²	64	81.1 Å²	81.1	30%	0.296	46%	0.455	S	S	.	.	S	Bend	trans	-79.2	156.7	170.2	-64.5	-179.7	0	0	0	111.6	C192 Q194 C195 H208 T213	C192-H211 VanDerWaalsContact SG-CB 3.52Å; C192-H211 PolarHBondContact SG-ND1 2.88Å; C192-H211 VanDerWaalsContact SG-ND1 3.41Å; Q194-H211 HydrophobicContact CB-CB 4.32Å; C195-H211 PolarHBondContact SG-CE1 3.05Å; C195-H211 PolarHBondContact SG-ND1 2.83Å; H208-H211 AromaticContact CG-ND1 3.86Å; H208-H211 AromaticContact ND1-CE1 3.46Å; H208-H211 PolarHBondContact ND1-CE1 3.48Å; H208-H211 AromaticContact ND1-ND1 3.12Å; H208-H211 PolarHBondContact ND1-ND1 3.21Å; H208-H211 VanDerWaalsContact ND1-ND1 3.12Å; H208-H211 WeakPolarHBondContact O-CB 3.35Å; H208-H211 PolarHBondContact O-N 2.84Å; H211-T213 PolarHBondContact O-N 2.81Å
212	I	82.1	Confident	79.8	Confident	100 Å²	100	78 Å²	78	51%	0.513	44%	0.44	S	S	.	.			trans	-79	121.1	175.9	-53.6	169	0	0	0	107.7	L193 Q194	L193-I212 HydrophobicContact CB-CB 4.45Å; L193-I212 WeakPolarHBondContact CB-O 3.23Å; L193-I212 HydrophobicContact CD1-CG2 3.89Å; L193-I212 PolarHBondContact N-O 3.49Å; Q194-I212 VanDerWaalsContact OE1-CG1 3.3Å
213	T	82.1	Confident	79.7	Confident	48 Å²	48	79 Å²	79	29%	0.294	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.9	-178.6	60.6	0	0	0	0	111.9	F191 L199 F204 H211	F191-T213 CarbonylContact O-C 3.44Å; F191-T213 WeakPolarHBondContact O-CA 3.36Å; L199-T213 HydrophobicContact CD1-CG2 3.72Å; F204-T213 HydrophobicContact CD2-CG2 3.77Å; F204-T213 HydrophobicContact CE2-CG2 3.68Å; H211-T213 PolarHBondContact O-N 2.81Å
214	I	83.8	Confident	79.3	Confident	35 Å²	35	83.5 Å²	83.5	18%	0.179	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.4	172.8	58.8	171	0	0	0	110	S190 F191 L193 V219 H222	S190-I214 CarbonylContact C-O 3.59Å; S190-I214 WeakPolarHBondContact CA-O 3.45Å; S190-I214 WeakPolarHBondContact CB-O 3.46Å; F191-I214 HydrophobicContact CB-CG1 4.13Å; F191-I214 HydrophobicContact CD1-CD1 4.45Å; F191-I214 HydrophobicContact CD1-CG1 4.3Å; F191-I214 PolarHBondContact N-O 2.78Å; F191-I214 PolarHBondContact O-N 2.91Å; L193-I214 HydrophobicContact CD1-CG2 3.89Å; L193-I214 HydrophobicContact CD2-CD1 3.96Å; L193-I214 HydrophobicContact CD2-CG1 4.24Å; L193-I214 HydrophobicContact CG-CG1 4.43Å; L193-I214 HydrophobicContact CG-CG2 4.33Å; I214-V219 HydrophobicContact CD1-CB 4.4Å; I214-V219 HydrophobicContact CD1-CG2 3.77Å; I214-V219 HydrophobicContact CG1-CG2 3.96Å; I214-H222 HydrophobicContact CD1-CB 3.87Å
215	L	80.1	Confident	79.3	Confident	118 Å²	118	83.3 Å²	83.3	62%	0.618	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.5	173.8	-71.4	168.8	0	0	0	110.4	G217 L218 V219	L215-G217 PolarHBondContact O-N 3.45Å; L215-G217 VanDerWaalsContact O-N 3.08Å; L215-L218 PolarHBondContact O-N 2.92Å; L215-V219 PolarHBondContact O-N 2.83Å
216	L	75.6	Confident	79.2	Confident	72 Å²	72	81.3 Å²	81.3	38%	0.377	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-55.9	-33	-175.6	-153.4	75.4	0	0	0	112.9	T189 F191 P198 L218 V219	T189-L216 PolarHBondContact O-N 2.86Å; T189-L216 VanDerWaalsContact O-N 3.08Å; F191-L216 HydrophobicContact CB-CD1 4.41Å; P198-L216 HydrophobicContact CB-CD1 4.31Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 3.05Å; L216-V219 HydrophobicContact CD1-CG2 4.33Å; L216-V219 WeakPolarHBondContact O-CB 3.37Å; L216-V219 WeakPolarHBondContact O-CG2 3.2Å; L216-V219 PolarHBondContact O-N 3.38Å
217	G	72.1	Confident	79.3	Confident	68 Å²	68	81.6 Å²	81.6	70%	0.701	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-66.8	-21.9	176.9	0	0	0	0	0	115.2	L215	L215-G217 PolarHBondContact O-N 3.45Å; L215-G217 VanDerWaalsContact O-N 3.08Å
218	L	77.3	Confident	79.5	Confident	100 Å²	100	77.2 Å²	77.2	52%	0.524	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-94.2	-5.8	176.4	-63.4	174.7	0	0	0	112.7	L215 L216 T221 H222	L215-L218 PolarHBondContact O-N 2.92Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 3.05Å; L218-T221 PolarHBondContact O-N 3.26Å; L218-T221 PolarHBondContact O-OG1 3.43Å; L218-H222 PolarHBondContact O-N 3.12Å
219	V	76.9	Confident	79.6	Confident	16 Å²	16	81.5 Å²	81.5	10%	0.097	47%	0.471	C	S	.	.	H	α-helix	trans	-61.9	-44.5	179.8	175.6	0	0	0	0	112.3	F191 I214 L215 L216 T221 H222 I223	F191-V219 HydrophobicContact CB-CG2 3.39Å; F191-V219 HydrophobicContact CD1-CG2 4.28Å; F191-V219 HydrophobicContact CG-CG1 4.4Å; F191-V219 HydrophobicContact CG-CG2 3.85Å; I214-V219 HydrophobicContact CD1-CB 4.4Å; I214-V219 HydrophobicContact CD1-CG2 3.77Å; I214-V219 HydrophobicContact CG1-CG2 3.96Å; L215-V219 PolarHBondContact O-N 2.83Å; L216-V219 HydrophobicContact CD1-CG2 4.33Å; L216-V219 WeakPolarHBondContact O-CB 3.37Å; L216-V219 WeakPolarHBondContact O-CG2 3.2Å; L216-V219 PolarHBondContact O-N 3.38Å; V219-T221 VanDerWaalsContact C-N 3.32Å; V219-T221 PolarHBondContact O-N 3.47Å; V219-H222 PolarHBondContact O-N 3.11Å; V219-I223 HydrophobicContact CG1-CD1 3.38Å; V219-I223 HydrophobicContact CG1-CG1 3.91Å; V219-I223 WeakPolarHBondContact O-CB 3.33Å; V219-I223 WeakPolarHBondContact O-CG1 3.34Å; V219-I223 PolarHBondContact O-N 3.09Å
220	P	75.6	Confident	79.8	Confident	84 Å²	84	78.4 Å²	78.4	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-41.3	-179.7	-25.6	35.7	0	0	0	113.1	D224	P220-D224 WeakPolarHBondContact O-CB 3.4Å; P220-D224 PolarHBondContact O-N 3.42Å
221	T	78	Confident	80	Confident	92 Å²	92	78 Å²	78	56%	0.564	44%	0.444	S	S	*	.	H	α-helix	trans	-70.9	-38.4	179.8	53.9	0	0	0	0	112.1	L218 V219 S225	L218-T221 PolarHBondContact O-N 3.26Å; L218-T221 PolarHBondContact O-OG1 3.43Å; V219-T221 VanDerWaalsContact C-N 3.32Å; V219-T221 PolarHBondContact O-N 3.47Å; T221-S225 PolarHBondContact O-N 2.87Å; T221-S225 VanDerWaalsContact O-N 3.1Å
222	H	78.6	Confident	80	Confident	76 Å²	76	79.4 Å²	79.4	35%	0.352	45%	0.451	S	S	.	.	H	α-helix	trans	-65.9	-46	175.2	-176.9	-70.6	0	0	0	111.8	I214 L218 V219 S225 L226	I214-H222 HydrophobicContact CD1-CB 3.87Å; L218-H222 PolarHBondContact O-N 3.12Å; V219-H222 PolarHBondContact O-N 3.11Å; H222-S225 PolarHBondContact O-N 3.16Å; H222-L226 WeakPolarHBondContact O-CB 3.33Å; H222-L226 PolarHBondContact O-N 3.11Å; H222-L226 VanDerWaalsContact O-N 3.08Å
223	I	79.4	Confident	80.1	Confident	66 Å²	66	78.2 Å²	78.2	34%	0.338	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-41.4	178.1	-69.5	-178.1	0	0	0	110.5	V219 S225 L226 L227	V219-I223 HydrophobicContact CG1-CD1 3.38Å; V219-I223 HydrophobicContact CG1-CG1 3.91Å; V219-I223 WeakPolarHBondContact O-CB 3.33Å; V219-I223 WeakPolarHBondContact O-CG1 3.34Å; V219-I223 PolarHBondContact O-N 3.09Å; I223-S225 PolarHBondContact O-N 2.92Å; I223-L226 PolarHBondContact O-N 3.45Å; I223-L227 HydrophobicContact CG2-CD1 3.48Å; I223-L227 VanDerWaalsContact CG2-CD1 3.48Å; I223-L227 HydrophobicContact CG2-CG 3.92Å; I223-L227 VanDerWaalsContact O-CB 3.29Å; I223-L227 WeakPolarHBondContact O-CB 3.31Å; I223-L227 VanDerWaalsContact O-CG 3.31Å; I223-L227 WeakPolarHBondContact O-CG 3.12Å; I223-L227 PolarHBondContact O-N 3.41Å
224	D	77.9	Confident	80.2	Confident	107 Å²	107	79.7 Å²	79.7	57%	0.572	46%	0.462	S	S	*	.	H	α-helix	trans	-61.4	-43.7	178.1	-171.8	54.6	0	0	0	112	P220 S228	P220-D224 WeakPolarHBondContact O-CB 3.4Å; P220-D224 PolarHBondContact O-N 3.42Å; D224-S228 WeakPolarHBondContact O-CB 3.32Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.49Å
225	S	81.3	Confident	80.3	Confident	69 Å²	69	84.9 Å²	84.9	48%	0.483	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-49.1	174.3	-173.2	0	0	0	0	112.1	T221 H222 I223 S228 D229	T221-S225 PolarHBondContact O-N 2.87Å; T221-S225 VanDerWaalsContact O-N 3.1Å; H222-S225 PolarHBondContact O-N 3.16Å; I223-S225 PolarHBondContact O-N 2.92Å; S225-S228 PolarHBondContact O-N 2.67Å; S225-D229 PolarHBondContact O-N 3.47Å; S225-D229 VanDerWaalsContact O-N 3.12Å
226	L	80.2	Confident	80.5	Confident	88 Å²	88	84.1 Å²	84.1	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-44.2	-177.9	-178.5	68.9	0	0	0	112	H222 I223 M230	H222-L226 WeakPolarHBondContact O-CB 3.33Å; H222-L226 PolarHBondContact O-N 3.11Å; H222-L226 VanDerWaalsContact O-N 3.08Å; I223-L226 PolarHBondContact O-N 3.45Å; L226-M230 WeakPolarHBondContact O-CB 3.23Å; L226-M230 PolarHBondContact O-N 3.34Å; L226-M230 VanDerWaalsContact O-N 3.17Å
227	L	83	Confident	81.1	Confident	99 Å²	99	88.5 Å²	88.5	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-70.5	-37.2	178.4	-69.9	-178.8	0	0	0	111.3	I223 M230 V231	I223-L227 HydrophobicContact CG2-CD1 3.48Å; I223-L227 VanDerWaalsContact CG2-CD1 3.48Å; I223-L227 HydrophobicContact CG2-CG 3.92Å; I223-L227 VanDerWaalsContact O-CB 3.29Å; I223-L227 WeakPolarHBondContact O-CB 3.31Å; I223-L227 VanDerWaalsContact O-CG 3.31Å; I223-L227 WeakPolarHBondContact O-CG 3.12Å; I223-L227 PolarHBondContact O-N 3.41Å; L227-M230 PolarHBondContact O-N 2.81Å; L227-V231 VanDerWaalsContact O-CB 3.25Å; L227-V231 WeakPolarHBondContact O-CB 3.26Å; L227-V231 WeakPolarHBondContact O-CG2 3.4Å; L227-V231 PolarHBondContact O-N 3.14Å
228	S	82.9	Confident	81.7	Confident	60 Å²	60	89.9 Å²	89.9	42%	0.42	48%	0.475	S	S	.	.	H	α-helix	trans	-60.6	-46	176.5	-69.5	0	0	0	0	111.8	D224 S225 M230 V231 E232	D224-S228 WeakPolarHBondContact O-CB 3.32Å; D224-S228 PolarHBondContact O-N 3.11Å; D224-S228 PolarHBondContact O-OG 3.49Å; S225-S228 PolarHBondContact O-N 2.67Å; S228-M230 VanDerWaalsContact C-N 3.35Å; S228-M230 PolarHBondContact O-N 3.42Å; S228-V231 PolarHBondContact O-N 3Å; S228-E232 PolarHBondContact O-N 3.38Å
229	D	80	Confident	82.2	Confident	106 Å²	106	91.2 Å²	91.2	57%	0.567	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-42.4	176.3	-70.8	-17.3	0	0	0	111.8	S225 E232 C233	S225-D229 PolarHBondContact O-N 3.47Å; S225-D229 VanDerWaalsContact O-N 3.12Å; D229-E232 PolarHBondContact O-N 3.05Å; D229-C233 PolarHBondContact O-N 3.29Å; D229-C233 VanDerWaalsContact O-N 3.08Å; D229-C233 PolarHBondContact O-SG 3.46Å
230	M	84	Confident	82.7	Confident	108 Å²	108	95.2 Å²	95.2	53%	0.532	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-39	179.3	-161.9	69.8	82.1	0	0	112.1	L226 L227 S228 E232 C233 C234	L226-M230 WeakPolarHBondContact O-CB 3.23Å; L226-M230 PolarHBondContact O-N 3.34Å; L226-M230 VanDerWaalsContact O-N 3.17Å; L227-M230 PolarHBondContact O-N 2.81Å; S228-M230 VanDerWaalsContact C-N 3.35Å; S228-M230 PolarHBondContact O-N 3.42Å; M230-E232 VanDerWaalsContact C-N 3.31Å; M230-E232 PolarHBondContact O-N 2.79Å; M230-C233 PolarHBondContact O-N 3.06Å; M230-C234 WeakPolarHBondContact O-CB 3.31Å; M230-C234 PolarHBondContact O-N 3.33Å; M230-C234 PolarHBondContact O-SG 2.83Å; M230-C234 VanDerWaalsContact O-SG 3.36Å
231	V	85	Confident	83.4	Confident	61 Å²	61	97.2 Å²	97.2	37%	0.37	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-41.8	175.3	166	0	0	0	0	110	L227 S228 C234 R235	L227-V231 VanDerWaalsContact O-CB 3.25Å; L227-V231 WeakPolarHBondContact O-CB 3.26Å; L227-V231 WeakPolarHBondContact O-CG2 3.4Å; L227-V231 PolarHBondContact O-N 3.14Å; S228-V231 PolarHBondContact O-N 3Å; V231-C234 PolarHBondContact O-N 2.97Å; V231-R235 HydrophobicContact CG1-CG 4.43Å; V231-R235 WeakPolarHBondContact O-CG 3.41Å; V231-R235 PolarHBondContact O-N 3.03Å
232	E	84.8	Confident	83.9	Confident	95 Å²	95	99.7 Å²	99.7	44%	0.444	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-41.9	176.5	-167.2	59.8	-163.8	0	0	112	S228 D229 M230 C234 R235 L236	S228-E232 PolarHBondContact O-N 3.38Å; D229-E232 PolarHBondContact O-N 3.05Å; M230-E232 VanDerWaalsContact C-N 3.31Å; M230-E232 PolarHBondContact O-N 2.79Å; E232-C234 VanDerWaalsContact C-N 3.32Å; E232-C234 PolarHBondContact O-N 3.17Å; E232-R235 PolarHBondContact O-N 3.13Å; E232-R235 IonicContact OE2-NH1 3.86Å; E232-L236 WeakPolarHBondContact O-CG 3.37Å; E232-L236 PolarHBondContact O-N 3.39Å
233	C	83.3	Confident	84.4	Confident	75 Å²	75	99.9 Å²	99.9	51%	0.507	50%	0.5	S	S	.	.	H	α-helix	trans	-59.8	-41.8	173	-68	0	0	0	0	112.4	D229 M230 R237	D229-C233 PolarHBondContact O-N 3.29Å; D229-C233 VanDerWaalsContact O-N 3.08Å; D229-C233 PolarHBondContact O-SG 3.46Å; M230-C233 PolarHBondContact O-N 3.06Å; C233-R237 PolarHBondContact O-N 3.12Å; C233-R237 VanDerWaalsContact O-N 3.16Å
234	C	84.6	Confident	84.8	Confident	79 Å²	79	99.5 Å²	99.5	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-38.2	176	-73.9	0	0	0	0	112.2	M230 V231 E232 R237 Q238	M230-C234 WeakPolarHBondContact O-CB 3.31Å; M230-C234 PolarHBondContact O-N 3.33Å; M230-C234 PolarHBondContact O-SG 2.83Å; M230-C234 VanDerWaalsContact O-SG 3.36Å; V231-C234 PolarHBondContact O-N 2.97Å; E232-C234 VanDerWaalsContact C-N 3.32Å; E232-C234 PolarHBondContact O-N 3.17Å; C234-R237 PolarHBondContact O-N 3.37Å; C234-Q238 VanDerWaalsContact O-CB 3.31Å; C234-Q238 WeakPolarHBondContact O-CB 3.25Å; C234-Q238 PolarHBondContact O-N 3.01Å
235	R	85.9	Confident	85.4	Confident	144 Å²	144	98.3 Å²	98.3	54%	0.543	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-42.3	176.3	-77.7	175.6	-179.4	145.8	1.7	112.2	V231 E232 Q238 K239	V231-R235 HydrophobicContact CG1-CG 4.43Å; V231-R235 WeakPolarHBondContact O-CG 3.41Å; V231-R235 PolarHBondContact O-N 3.03Å; E232-R235 PolarHBondContact O-N 3.13Å; E232-R235 IonicContact OE2-NH1 3.86Å; R235-Q238 WeakPolarHBondContact O-CB 3.33Å; R235-Q238 PolarHBondContact O-N 3.42Å; R235-K239 PolarHBondContact O-N 2.99Å; R235-K239 VanDerWaalsContact O-N 3.09Å
236	L	85.2	Confident	85.6	Confident	102 Å²	102	101.5 Å²	101.5	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-47.9	174.4	-71.2	172	0	0	0	111.1	E232 Q238 K239 D240	E232-L236 WeakPolarHBondContact O-CG 3.37Å; E232-L236 PolarHBondContact O-N 3.39Å; L236-Q238 VanDerWaalsContact C-N 3.33Å; L236-Q238 PolarHBondContact O-N 3.29Å; L236-K239 VanDerWaalsContact O-CB 3.3Å; L236-K239 WeakPolarHBondContact O-CB 3.29Å; L236-K239 PolarHBondContact O-N 2.72Å; L236-K239 VanDerWaalsContact O-N 3.11Å; L236-D240 PolarHBondContact O-N 3.03Å; L236-D240 VanDerWaalsContact O-N 3.17Å
237	R	86.6	Confident	86.1	Confident	163 Å²	163	103.4 Å²	103.4	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-65.6	-35.8	177.8	-169.8	175.8	-65.5	-143.2	-3	112.9	C233 C234 K239 D240 F241	C233-R237 PolarHBondContact O-N 3.12Å; C233-R237 VanDerWaalsContact O-N 3.16Å; C234-R237 PolarHBondContact O-N 3.37Å; R237-K239 PolarHBondContact O-N 2.83Å; R237-D240 PolarHBondContact O-N 2.77Å; R237-F241 HydrophobicContact CG-CD2 3.8Å; R237-F241 HydrophobicContact CG-CE2 3.46Å; R237-F241 VanDerWaalsContact CG-CE2 3.46Å; R237-F241 HydrophobicContact CG-CZ 4.25Å; R237-F241 WeakPolarHBondContact O-CD2 3.14Å; R237-F241 PolarHBondContact O-N 2.92Å
238	Q	86.2	Confident	86.4	Confident	97 Å²	97	103.6 Å²	103.6	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-59.1	-39	173.6	-176	-176	18.2	0	0	110.9	C234 R235 L236 R242	C234-Q238 VanDerWaalsContact O-CB 3.31Å; C234-Q238 WeakPolarHBondContact O-CB 3.25Å; C234-Q238 PolarHBondContact O-N 3.01Å; R235-Q238 WeakPolarHBondContact O-CB 3.33Å; R235-Q238 PolarHBondContact O-N 3.42Å; L236-Q238 VanDerWaalsContact C-N 3.33Å; L236-Q238 PolarHBondContact O-N 3.29Å; Q238-R242 VanDerWaalsContact O-CG 3.31Å; Q238-R242 WeakPolarHBondContact O-CG 3.42Å; Q238-R242 PolarHBondContact O-N 3.02Å
239	K	87	Confident	86.7	Confident	129 Å²	129	105.6 Å²	105.6	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-48.9	174.5	-172.8	-176.4	174.9	-177.7	0	111.6	R235 L236 R237 F241 R242 D243	R235-K239 PolarHBondContact O-N 2.99Å; R235-K239 VanDerWaalsContact O-N 3.09Å; L236-K239 VanDerWaalsContact O-CB 3.3Å; L236-K239 WeakPolarHBondContact O-CB 3.29Å; L236-K239 PolarHBondContact O-N 2.72Å; L236-K239 VanDerWaalsContact O-N 3.11Å; R237-K239 PolarHBondContact O-N 2.83Å; K239-F241 VanDerWaalsContact C-N 3.28Å; K239-F241 PolarHBondContact O-N 3.43Å; K239-R242 WeakPolarHBondContact O-CB 3.46Å; K239-R242 PolarHBondContact O-N 3.41Å; K239-D243 PolarHBondContact O-N 2.92Å
240	D	87.8	Confident	87	Confident	99 Å²	99	103.4 Å²	103.4	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-58.9	-39.8	178.4	-60.7	-25.9	0	0	0	112.5	L236 R237 S244	L236-D240 PolarHBondContact O-N 3.03Å; L236-D240 VanDerWaalsContact O-N 3.17Å; R237-D240 PolarHBondContact O-N 2.77Å; D240-S244 WeakPolarHBondContact O-CB 3.3Å; D240-S244 PolarHBondContact O-N 3.22Å; D240-S244 PolarHBondContact O-OG 2.82Å
241	F	89.9	Confident	87.3	Confident	126 Å²	126	102.1 Å²	102.1	55%	0.553	50%	0.502	S	S	*	.	H	α-helix	trans	-67	-40.2	174.4	-76	-53.1	0	0	0	112.2	R237 K239 S244 I245	R237-F241 HydrophobicContact CG-CD2 3.8Å; R237-F241 HydrophobicContact CG-CE2 3.46Å; R237-F241 VanDerWaalsContact CG-CE2 3.46Å; R237-F241 HydrophobicContact CG-CZ 4.25Å; R237-F241 WeakPolarHBondContact O-CD2 3.14Å; R237-F241 PolarHBondContact O-N 2.92Å; K239-F241 VanDerWaalsContact C-N 3.28Å; K239-F241 PolarHBondContact O-N 3.43Å; F241-S244 PolarHBondContact O-N 2.84Å; F241-I245 WeakPolarHBondContact O-CB 3.29Å; F241-I245 WeakPolarHBondContact O-CD1 3.19Å; F241-I245 WeakPolarHBondContact O-CG1 3.49Å; F241-I245 PolarHBondContact O-N 2.95Å
242	R	89.4	Confident	87.5	Confident	144 Å²	144	104.4 Å²	104.4	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-46.1	175.1	-75.9	-179.1	-172	-76.5	3	111.1	Q238 K239 S244 I245 E246	Q238-R242 VanDerWaalsContact O-CG 3.31Å; Q238-R242 WeakPolarHBondContact O-CG 3.42Å; Q238-R242 PolarHBondContact O-N 3.02Å; K239-R242 WeakPolarHBondContact O-CB 3.46Å; K239-R242 PolarHBondContact O-N 3.41Å; R242-S244 VanDerWaalsContact C-N 3.3Å; R242-S244 PolarHBondContact O-N 2.92Å; R242-I245 PolarHBondContact O-N 3.1Å; R242-E246 WeakPolarHBondContact O-CG 3.27Å; R242-E246 PolarHBondContact O-N 2.98Å
243	D	87.6	Confident	87.6	Confident	80 Å²	80	103.5 Å²	103.5	43%	0.428	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-39.9	177.5	-64.1	-9.2	0	0	0	111.1	K239 E246 M247	K239-D243 PolarHBondContact O-N 2.92Å; D243-E246 PolarHBondContact O-N 3.19Å; D243-M247 PolarHBondContact O-N 2.75Å
244	S	89.1	Confident	87.8	Confident	59 Å²	59	105.3 Å²	105.3	41%	0.413	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175.3	-60.1	0	0	0	0	112.6	D240 F241 R242 M247 M248	D240-S244 WeakPolarHBondContact O-CB 3.3Å; D240-S244 PolarHBondContact O-N 3.22Å; D240-S244 PolarHBondContact O-OG 2.82Å; F241-S244 PolarHBondContact O-N 2.84Å; R242-S244 VanDerWaalsContact C-N 3.3Å; R242-S244 PolarHBondContact O-N 2.92Å; S244-M247 PolarHBondContact O-N 2.89Å; S244-M248 WeakPolarHBondContact O-CG 3.49Å; S244-M248 PolarHBondContact O-N 2.94Å
245	I	89.5	Confident	87.9	Confident	82 Å²	82	107.1 Å²	107.1	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.2	-73.5	164.1	0	0	0	110	F241 R242 M247 M248 H249	F241-I245 WeakPolarHBondContact O-CB 3.29Å; F241-I245 WeakPolarHBondContact O-CD1 3.19Å; F241-I245 WeakPolarHBondContact O-CG1 3.49Å; F241-I245 PolarHBondContact O-N 2.95Å; R242-I245 PolarHBondContact O-N 3.1Å; I245-M247 PolarHBondContact O-N 2.74Å; I245-M248 HydrophobicContact CG1-CE 4.15Å; I245-M248 PolarHBondContact O-N 2.99Å; I245-H249 VanDerWaalsContact CG2-CD2 3.45Å; I245-H249 WeakPolarHBondContact CG2-CD2 3.39Å; I245-H249 PolarHBondContact O-CD2 2.8Å; I245-H249 PolarHBondContact O-N 2.97Å
246	E	86.8	Confident	88	Confident	135 Å²	135	102.2 Å²	102.2	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-60.8	-43.1	174.6	-72.9	-179.9	-170.4	0	0	112	R242 D243 H249 S250	R242-E246 WeakPolarHBondContact O-CG 3.27Å; R242-E246 PolarHBondContact O-N 2.98Å; D243-E246 PolarHBondContact O-N 3.19Å; E246-H249 PolarHBondContact O-N 2.83Å; E246-S250 PolarHBondContact O-N 2.9Å
247	M	89.9	Confident	88.2	Confident	128 Å²	128	100.7 Å²	100.7	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-44.5	174.7	-176.9	179.4	177.9	0	0	112.3	D243 S244 I245 H249 S250 L251	D243-M247 PolarHBondContact O-N 2.75Å; S244-M247 PolarHBondContact O-N 2.89Å; I245-M247 PolarHBondContact O-N 2.74Å; M247-H249 VanDerWaalsContact C-N 3.34Å; M247-H249 PolarHBondContact O-N 2.62Å; M247-S250 WeakPolarHBondContact O-CB 3.26Å; M247-S250 PolarHBondContact O-N 3.4Å; M247-S250 VanDerWaalsContact O-N 3.16Å; M247-L251 PolarHBondContact O-N 3.33Å
248	M	90	Very high	88.2	Confident	104 Å²	104	95.8 Å²	95.8	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-38.7	176.3	-74.1	-173.6	-71.9	0	0	112	S244 I245 S250 L251 L252	S244-M248 WeakPolarHBondContact O-CG 3.49Å; S244-M248 PolarHBondContact O-N 2.94Å; I245-M248 HydrophobicContact CG1-CE 4.15Å; I245-M248 PolarHBondContact O-N 2.99Å; M248-S250 VanDerWaalsContact C-N 3.31Å; M248-S250 PolarHBondContact O-N 2.98Å; M248-L251 PolarHBondContact O-N 3.42Å; M248-L252 WeakPolarHBondContact O-CG 3.19Å; M248-L252 PolarHBondContact O-N 2.92Å
249	H	88.5	Confident	88.3	Confident	101 Å²	101	98.8 Å²	98.8	47%	0.468	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-38.2	172.1	-78.3	-58.4	0	0	0	112.1	I245 E246 M247 L252 S253	I245-H249 VanDerWaalsContact CG2-CD2 3.45Å; I245-H249 WeakPolarHBondContact CG2-CD2 3.39Å; I245-H249 PolarHBondContact O-CD2 2.8Å; I245-H249 PolarHBondContact O-N 2.97Å; E246-H249 PolarHBondContact O-N 2.83Å; M247-H249 VanDerWaalsContact C-N 3.34Å; M247-H249 PolarHBondContact O-N 2.62Å; H249-L252 PolarHBondContact O-N 3.31Å; H249-S253 WeakPolarHBondContact O-CB 3.43Å; H249-S253 PolarHBondContact O-N 2.9Å
250	S	86.8	Confident	88.3	Confident	60 Å²	60	96.5 Å²	96.5	42%	0.42	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-48.1	173	-167.4	0	0	0	0	111.7	E246 M247 M248 L252 S253 E254	E246-S250 PolarHBondContact O-N 2.9Å; M247-S250 WeakPolarHBondContact O-CB 3.26Å; M247-S250 PolarHBondContact O-N 3.4Å; M247-S250 VanDerWaalsContact O-N 3.16Å; M248-S250 VanDerWaalsContact C-N 3.31Å; M248-S250 PolarHBondContact O-N 2.98Å; S250-L252 PolarHBondContact O-N 2.87Å; S250-S253 WeakPolarHBondContact O-CB 3.27Å; S250-S253 PolarHBondContact O-N 2.75Å; S250-S253 VanDerWaalsContact O-N 3.12Å; S250-E254 WeakPolarHBondContact O-CG 3.45Å; S250-E254 PolarHBondContact O-N 3.07Å; S250-E254 PolarHBondContact OG-OE1 3.09Å
251	L	89.9	Confident	88.4	Confident	81 Å²	81	94.6 Å²	94.6	42%	0.424	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-40.2	178.7	-69.2	174.8	0	0	0	112.5	M247 M248 S253 E254 L255	M247-L251 PolarHBondContact O-N 3.33Å; M248-L251 PolarHBondContact O-N 3.42Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 3.39Å; L251-E254 PolarHBondContact O-N 3.47Å; L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 WeakPolarHBondContact O-CG 3.1Å; L251-L255 PolarHBondContact O-N 3.32Å
252	L	88.4	Confident	88.5	Confident	110 Å²	110	91.7 Å²	91.7	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-38.9	173.9	-76.2	171.2	0	0	0	111.7	M248 H249 S250 S256	M248-L252 WeakPolarHBondContact O-CG 3.19Å; M248-L252 PolarHBondContact O-N 2.92Å; H249-L252 PolarHBondContact O-N 3.31Å; S250-L252 PolarHBondContact O-N 2.87Å; L252-S256 WeakPolarHBondContact O-CB 3.4Å; L252-S256 PolarHBondContact O-N 3.22Å
253	S	87	Confident	88.6	Confident	75 Å²	75	91.2 Å²	91.2	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-41.4	176.1	-164.3	0	0	0	0	112.2	H249 S250 L251 S256 S257	H249-S253 WeakPolarHBondContact O-CB 3.43Å; H249-S253 PolarHBondContact O-N 2.9Å; S250-S253 WeakPolarHBondContact O-CB 3.27Å; S250-S253 PolarHBondContact O-N 2.75Å; S250-S253 VanDerWaalsContact O-N 3.12Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 3.39Å; S253-S256 PolarHBondContact O-N 3.3Å; S253-S257 WeakPolarHBondContact O-CB 3.44Å; S253-S257 PolarHBondContact O-N 3.3Å; S253-S257 PolarHBondContact O-OG 3.33Å
254	E	87.3	Confident	88.6	Confident	114 Å²	114	91.1 Å²	91.1	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-44.7	174.4	-73.4	174.8	-152	0	0	112	S250 L251 S257 S258	S250-E254 WeakPolarHBondContact O-CG 3.45Å; S250-E254 PolarHBondContact O-N 3.07Å; S250-E254 PolarHBondContact OG-OE1 3.09Å; L251-E254 PolarHBondContact O-N 3.47Å; E254-S257 PolarHBondContact O-N 2.95Å; E254-S258 WeakPolarHBondContact O-CB 3.27Å; E254-S258 PolarHBondContact O-N 3.08Å
255	L	88	Confident	88.8	Confident	117 Å²	117	93.1 Å²	93.1	61%	0.613	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-41	175.5	-75.2	174	0	0	0	111.8	L251 S258 R259	L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 WeakPolarHBondContact O-CG 3.1Å; L251-L255 PolarHBondContact O-N 3.32Å; L255-S258 PolarHBondContact O-N 2.74Å; L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.45Å
256	S	88	Confident	88.9	Confident	41 Å²	41	92.9 Å²	92.9	29%	0.287	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.6	-171.1	0	0	0	0	111.3	L252 S253 S258 R259 D260	L252-S256 WeakPolarHBondContact O-CB 3.4Å; L252-S256 PolarHBondContact O-N 3.22Å; S253-S256 PolarHBondContact O-N 3.3Å; S256-S258 PolarHBondContact O-N 3.05Å; S256-R259 WeakPolarHBondContact O-CB 3.3Å; S256-R259 PolarHBondContact O-N 2.77Å; S256-R259 PolarHBondContact OG-NH2 2.64Å; S256-R259 VanDerWaalsContact OG-NH2 3.13Å; S256-D260 PolarHBondContact O-N 2.81Å
257	S	87.6	Confident	89.1	Confident	70 Å²	70	90.3 Å²	90.3	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-41.3	177.2	-60.4	0	0	0	0	111.9	S253 E254 D260 A261	S253-S257 WeakPolarHBondContact O-CB 3.44Å; S253-S257 PolarHBondContact O-N 3.3Å; S253-S257 PolarHBondContact O-OG 3.33Å; E254-S257 PolarHBondContact O-N 2.95Å; S257-D260 PolarHBondContact O-N 3.09Å; S257-A261 WeakPolarHBondContact O-CB 3.47Å; S257-A261 PolarHBondContact O-N 2.7Å
258	S	87.9	Confident	89.1	Confident	60 Å²	60	90.1 Å²	90.1	42%	0.42	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175	-179.7	0	0	0	0	111.9	E254 L255 S256 D260 A261 N262	E254-S258 WeakPolarHBondContact O-CB 3.27Å; E254-S258 PolarHBondContact O-N 3.08Å; L255-S258 PolarHBondContact O-N 2.74Å; S256-S258 PolarHBondContact O-N 3.05Å; S258-D260 VanDerWaalsContact C-N 3.34Å; S258-D260 PolarHBondContact O-N 2.83Å; S258-A261 PolarHBondContact O-N 3.26Å; S258-N262 WeakPolarHBondContact O-CB 3.26Å; S258-N262 PolarHBondContact O-N 3.44Å; S258-N262 PolarHBondContact O-ND2 2.82Å
259	R	88.3	Confident	89.1	Confident	159 Å²	159	86.7 Å²	86.7	60%	0.6	47%	0.469	S	S	*	.	H	α-helix	trans	-57.9	-45.5	174.1	178.5	-177.1	63.6	-171.7	-6.4	111.5	L255 S256 N262 K263	L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.45Å; S256-R259 WeakPolarHBondContact O-CB 3.3Å; S256-R259 PolarHBondContact O-N 2.77Å; S256-R259 PolarHBondContact OG-NH2 2.64Å; S256-R259 VanDerWaalsContact OG-NH2 3.13Å; R259-N262 PolarHBondContact O-N 3.28Å; R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.49Å; R259-K263 PolarHBondContact O-N 3.17Å
260	D	86.8	Confident	89.3	Confident	82 Å²	82	84.2 Å²	84.2	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-69.7	-38.4	179.7	-71	-29.2	0	0	0	112.3	S256 S257 S258 K263 S264	S256-D260 PolarHBondContact O-N 2.81Å; S257-D260 PolarHBondContact O-N 3.09Å; S258-D260 VanDerWaalsContact C-N 3.34Å; S258-D260 PolarHBondContact O-N 2.83Å; D260-K263 PolarHBondContact O-N 3Å; D260-S264 WeakPolarHBondContact O-CB 3.44Å; D260-S264 PolarHBondContact O-N 3.07Å
261	A	89.1	Confident	89.4	Confident	58 Å²	58	88.2 Å²	88.2	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-46.8	173.2	0	0	0	0	0	111.8	S257 S258 S264 L265	S257-A261 WeakPolarHBondContact O-CB 3.47Å; S257-A261 PolarHBondContact O-N 2.7Å; S258-A261 PolarHBondContact O-N 3.26Å; A261-S264 WeakPolarHBondContact O-CB 3.42Å; A261-S264 PolarHBondContact O-N 2.95Å; A261-L265 WeakPolarHBondContact O-CB 3.36Å; A261-L265 PolarHBondContact O-N 2.86Å
262	N	91.6	Very high	89.4	Confident	66 Å²	66	89.4 Å²	89.4	35%	0.353	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-44.8	176.5	-72.2	-25.9	0	0	0	111.4	S258 R259 S264 L265 I266	S258-N262 WeakPolarHBondContact O-CB 3.26Å; S258-N262 PolarHBondContact O-N 3.44Å; S258-N262 PolarHBondContact O-ND2 2.82Å; R259-N262 PolarHBondContact O-N 3.28Å; N262-S264 VanDerWaalsContact C-N 3.33Å; N262-S264 PolarHBondContact O-N 2.96Å; N262-L265 PolarHBondContact O-N 3.49Å; N262-I266 VanDerWaalsContact O-CG1 3.29Å; N262-I266 WeakPolarHBondContact O-CG1 3.45Å; N262-I266 PolarHBondContact O-N 2.8Å
263	K	91.4	Very high	89.5	Confident	133 Å²	133	88 Å²	88	58%	0.578	46%	0.462	S	S	*	.	H	α-helix	trans	-59.6	-42.6	174.6	-179.5	178.7	178.6	-178.8	0	111.8	R259 D260 N267	R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.49Å; R259-K263 PolarHBondContact O-N 3.17Å; D260-K263 PolarHBondContact O-N 3Å; K263-N267 WeakPolarHBondContact O-CB 3.49Å; K263-N267 PolarHBondContact O-N 3.36Å; K263-N267 VanDerWaalsContact O-N 3.08Å; K263-N267 PolarHBondContact O-ND2 3.27Å
264	S	89.3	Confident	89.7	Confident	78 Å²	78	88.3 Å²	88.3	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-44.1	176.6	-174.1	0	0	0	0	111.5	D260 A261 N262 N267 K268	D260-S264 WeakPolarHBondContact O-CB 3.44Å; D260-S264 PolarHBondContact O-N 3.07Å; A261-S264 WeakPolarHBondContact O-CB 3.42Å; A261-S264 PolarHBondContact O-N 2.95Å; N262-S264 VanDerWaalsContact C-N 3.33Å; N262-S264 PolarHBondContact O-N 2.96Å; S264-N267 PolarHBondContact O-N 2.83Å; S264-K268 WeakPolarHBondContact O-CB 3.43Å; S264-K268 PolarHBondContact O-N 3.08Å
265	L	92	Very high	89.8	Confident	102 Å²	102	87 Å²	87	53%	0.534	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-47.1	178.4	-173.8	60.1	0	0	0	112	A261 N262 N267 K268 T269	A261-L265 WeakPolarHBondContact O-CB 3.36Å; A261-L265 PolarHBondContact O-N 2.86Å; N262-L265 PolarHBondContact O-N 3.49Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 2.99Å; L265-K268 WeakPolarHBondContact O-CB 3.32Å; L265-K268 PolarHBondContact O-N 2.93Å; L265-K268 VanDerWaalsContact O-N 3.12Å; L265-T269 PolarHBondContact O-N 2.72Å; L265-T269 PolarHBondContact O-OG1 3Å; L265-T269 VanDerWaalsContact O-OG1 3.07Å
266	I	92.4	Very high	89.8	Confident	76 Å²	76	84.2 Å²	84.2	39%	0.39	45%	0.448	S	S	.	.	H	α-helix	trans	-57.4	-46.4	176.1	-68.9	165.4	0	0	0	110.8	N262 K268 T269 C270 F375 F378	N262-I266 VanDerWaalsContact O-CG1 3.29Å; N262-I266 WeakPolarHBondContact O-CG1 3.45Å; N262-I266 PolarHBondContact O-N 2.8Å; I266-K268 VanDerWaalsContact C-N 3.32Å; I266-K268 PolarHBondContact O-N 2.83Å; I266-T269 PolarHBondContact O-N 3.04Å; I266-C270 WeakPolarHBondContact O-CB 3.3Å; I266-C270 PolarHBondContact O-N 3.34Å; I266-F375 HydrophobicContact CG2-CE1 4.27Å; I266-F378 HydrophobicContact CD1-CZ 4.15Å
267	N	90.5	Very high	89.9	Confident	81 Å²	81	86.6 Å²	86.6	43%	0.433	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-36.4	177.9	-78.1	-54.5	0	0	0	112.6	K263 S264 L265 K271	K263-N267 WeakPolarHBondContact O-CB 3.49Å; K263-N267 PolarHBondContact O-N 3.36Å; K263-N267 VanDerWaalsContact O-N 3.08Å; K263-N267 PolarHBondContact O-ND2 3.27Å; S264-N267 PolarHBondContact O-N 2.83Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 2.99Å; N267-K271 VanDerWaalsContact O-CG 3.31Å; N267-K271 WeakPolarHBondContact O-CG 3.5Å; N267-K271 PolarHBondContact O-N 2.78Å; N267-K271 VanDerWaalsContact O-N 3.08Å
268	K	91	Very high	90	Very high	125 Å²	125	87.6 Å²	87.6	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-66.9	-46.5	176	-174.2	-178.9	177.7	-175.7	0	111.2	S264 L265 I266 K271 Q272	S264-K268 WeakPolarHBondContact O-CB 3.43Å; S264-K268 PolarHBondContact O-N 3.08Å; L265-K268 WeakPolarHBondContact O-CB 3.32Å; L265-K268 PolarHBondContact O-N 2.93Å; L265-K268 VanDerWaalsContact O-N 3.12Å; I266-K268 VanDerWaalsContact C-N 3.32Å; I266-K268 PolarHBondContact O-N 2.83Å; K268-K271 PolarHBondContact O-N 2.76Å; K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.31Å
269	T	89.7	Confident	90.1	Very high	32 Å²	32	90.8 Å²	90.8	20%	0.196	46%	0.456	C	S	.	.	H	α-helix	trans	-61.1	-44.8	176	-56	0	0	0	0	110.9	L265 I266 K271 Q272 W273 F375	L265-T269 PolarHBondContact O-N 2.72Å; L265-T269 PolarHBondContact O-OG1 3Å; L265-T269 VanDerWaalsContact O-OG1 3.07Å; I266-T269 PolarHBondContact O-N 3.04Å; T269-K271 PolarHBondContact O-N 3.21Å; T269-Q272 WeakPolarHBondContact O-CB 3.41Å; T269-Q272 PolarHBondContact O-N 2.74Å; T269-Q272 VanDerWaalsContact O-N 3.15Å; T269-W273 VanDerWaalsContact O-CD1 3.3Å; T269-W273 PolarHBondContact O-N 3.12Å; T269-F375 HydrophobicContact CG2-CD2 4.49Å; T269-F375 HydrophobicContact CG2-CE2 4.1Å; T269-F375 HydrophobicContact CG2-CZ 4.4Å
270	C	91.5	Very high	90.2	Very high	48 Å²	48	86.7 Å²	86.7	32%	0.324	45%	0.445	S	S	.	.	H	α-helix	trans	-56.1	-48.1	175.2	-175.7	0	0	0	0	112.2	I266 Q272 W273 I274 F375	I266-C270 WeakPolarHBondContact O-CB 3.3Å; I266-C270 PolarHBondContact O-N 3.34Å; C270-Q272 VanDerWaalsContact C-N 3.34Å; C270-Q272 PolarHBondContact O-N 2.99Å; C270-W273 PolarHBondContact O-N 3.02Å; C270-I274 WeakPolarHBondContact O-CG1 3.47Å; C270-I274 PolarHBondContact O-N 2.8Å; C270-F375 HydrophobicContact CB-CE2 4.39Å; C270-F375 HydrophobicContact CB-CZ 4.01Å
271	K	90.1	Very high	90.4	Very high	144 Å²	144	87.9 Å²	87.9	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-41.5	176.4	-73.2	172.8	-176.7	177	0	112.4	N267 K268 T269 W273 I274 T275	N267-K271 VanDerWaalsContact O-CG 3.31Å; N267-K271 WeakPolarHBondContact O-CG 3.5Å; N267-K271 PolarHBondContact O-N 2.78Å; N267-K271 VanDerWaalsContact O-N 3.08Å; K268-K271 PolarHBondContact O-N 2.76Å; T269-K271 PolarHBondContact O-N 3.21Å; K271-W273 VanDerWaalsContact C-N 3.35Å; K271-W273 PolarHBondContact O-N 3.39Å; K271-I274 PolarHBondContact O-N 3.05Å; K271-T275 PolarHBondContact O-N 3.46Å; K271-T275 PolarHBondContact O-OG1 3.18Å; K271-T275 VanDerWaalsContact O-OG1 3.1Å
272	Q	89.2	Confident	90.4	Very high	106 Å²	106	89.2 Å²	89.2	50%	0.495	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-40.9	177.4	-73	174	-17.3	0	0	112.3	K268 T269 C270 S276	K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.31Å; T269-Q272 WeakPolarHBondContact O-CB 3.41Å; T269-Q272 PolarHBondContact O-N 2.74Å; T269-Q272 VanDerWaalsContact O-N 3.15Å; C270-Q272 VanDerWaalsContact C-N 3.34Å; C270-Q272 PolarHBondContact O-N 2.99Å; Q272-S276 WeakPolarHBondContact O-CB 3.16Å; Q272-S276 PolarHBondContact O-N 3.22Å; Q272-S276 PolarHBondContact O-OG 2.94Å
273	W	90.4	Very high	90.5	Very high	80 Å²	80	91.1 Å²	91.1	30%	0.303	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-46.8	174.4	-86	72.4	0	0	0	111.6	T269 C270 K271 T275 S276 I277 I371 H374 F375	T269-W273 VanDerWaalsContact O-CD1 3.3Å; T269-W273 PolarHBondContact O-N 3.12Å; C270-W273 PolarHBondContact O-N 3.02Å; K271-W273 VanDerWaalsContact C-N 3.35Å; K271-W273 PolarHBondContact O-N 3.39Å; W273-T275 PolarHBondContact O-N 3.09Å; W273-S276 WeakPolarHBondContact O-CB 2.99Å; W273-S276 PolarHBondContact O-N 3.36Å; W273-S276 VanDerWaalsContact O-N 3.16Å; W273-I277 VanDerWaalsContact O-CG1 3.31Å; W273-I277 WeakPolarHBondContact O-CG1 3.34Å; W273-I277 PolarHBondContact O-N 2.94Å; W273-I371 HydrophobicContact CE3-CG1 4.15Å; W273-I371 HydrophobicContact CE3-CG2 4.5Å; W273-I371 HydrophobicContact CZ3-CB 4.28Å; W273-I371 HydrophobicContact CZ3-CG1 3.66Å; W273-I371 HydrophobicContact CZ3-CG2 4.34Å; W273-H374 HydrophobicContact CH2-CB 4.14Å; W273-H374 HydrophobicContact CZ2-CB 4.22Å; W273-F375 HydrophobicContact CD2-CD2 4.44Å; W273-F375 HydrophobicContact CG-CD2 4.42Å; W273-F375 HydrophobicContact CG-CE2 4.41Å
274	I	91	Very high	90.5	Very high	82 Å²	82	89.8 Å²	89.8	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-57.5	-51.2	177.5	-68.2	166.9	0	0	0	110.9	C270 K271 S276 I277 E278	C270-I274 WeakPolarHBondContact O-CG1 3.47Å; C270-I274 PolarHBondContact O-N 2.8Å; K271-I274 PolarHBondContact O-N 3.05Å; I274-S276 VanDerWaalsContact C-N 3.26Å; I274-S276 PolarHBondContact O-N 3.42Å; I274-I277 PolarHBondContact O-N 2.96Å; I274-I277 VanDerWaalsContact O-N 3.16Å; I274-E278 HydrophobicContact CG2-CG 4.36Å; I274-E278 WeakPolarHBondContact O-CB 2.98Å; I274-E278 WeakPolarHBondContact O-CG 3.14Å; I274-E278 PolarHBondContact O-N 3.07Å
275	T	89.7	Confident	90.7	Very high	88 Å²	88	89.5 Å²	89.5	54%	0.54	44%	0.438	S	S	.	.	H	α-helix	trans	-61.6	-35.6	178.8	-55.8	0	0	0	0	112.1	K271 W273 R279	K271-T275 PolarHBondContact O-N 3.46Å; K271-T275 PolarHBondContact O-OG1 3.18Å; K271-T275 VanDerWaalsContact O-OG1 3.1Å; W273-T275 PolarHBondContact O-N 3.09Å; T275-R279 WeakPolarHBondContact O-CB 3.33Å; T275-R279 PolarHBondContact O-N 3.05Å
276	S	89	Confident	90.6	Very high	58 Å²	58	89.7 Å²	89.7	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-67.7	-40.9	176.4	-60.8	0	0	0	0	112	Q272 W273 I274 R279 I280	Q272-S276 WeakPolarHBondContact O-CB 3.16Å; Q272-S276 PolarHBondContact O-N 3.22Å; Q272-S276 PolarHBondContact O-OG 2.94Å; W273-S276 WeakPolarHBondContact O-CB 2.99Å; W273-S276 PolarHBondContact O-N 3.36Å; W273-S276 VanDerWaalsContact O-N 3.16Å; I274-S276 VanDerWaalsContact C-N 3.26Å; I274-S276 PolarHBondContact O-N 3.42Å; S276-R279 PolarHBondContact O-N 3.28Å; S276-I280 WeakPolarHBondContact O-CG1 3.38Å; S276-I280 PolarHBondContact O-N 3.44Å; S276-I280 VanDerWaalsContact O-N 3.1Å
277	I	89.8	Confident	90.5	Very high	90 Å²	90	91.6 Å²	91.6	46%	0.462	44%	0.442	S	S	.	.	H	α-helix	trans	-67.1	-44.3	176	-68.6	166.7	0	0	0	110.6	W273 I274 R279 I280 K281	W273-I277 VanDerWaalsContact O-CG1 3.31Å; W273-I277 WeakPolarHBondContact O-CG1 3.34Å; W273-I277 PolarHBondContact O-N 2.94Å; I274-I277 PolarHBondContact O-N 2.96Å; I274-I277 VanDerWaalsContact O-N 3.16Å; I277-R279 VanDerWaalsContact C-N 3.31Å; I277-R279 PolarHBondContact O-N 2.96Å; I277-I280 PolarHBondContact O-N 3.25Å; I277-I280 VanDerWaalsContact O-N 3.16Å; I277-K281 WeakPolarHBondContact O-CB 3.24Å; I277-K281 PolarHBondContact O-N 2.93Å
278	E	89.1	Confident	90.6	Very high	91 Å²	91	91.4 Å²	91.4	43%	0.425	44%	0.441	S	S	.	.	H	α-helix	trans	-59.3	-42.2	175.5	-76.2	172.7	164.1	0	0	111.7	I274 I280 K281 D282	I274-E278 HydrophobicContact CG2-CG 4.36Å; I274-E278 WeakPolarHBondContact O-CB 2.98Å; I274-E278 WeakPolarHBondContact O-CG 3.14Å; I274-E278 PolarHBondContact O-N 3.07Å; E278-I280 VanDerWaalsContact C-N 3.35Å; E278-I280 PolarHBondContact O-N 2.7Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.19Å; E278-D282 PolarHBondContact O-N 3.45Å
279	R	90.8	Very high	90.6	Very high	128 Å²	128	93.2 Å²	93.2	48%	0.483	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-43.1	174.6	-173.4	-173.4	62.8	70.1	0.8	111.9	T275 S276 I277 D282 Q283	T275-R279 WeakPolarHBondContact O-CB 3.33Å; T275-R279 PolarHBondContact O-N 3.05Å; S276-R279 PolarHBondContact O-N 3.28Å; I277-R279 VanDerWaalsContact C-N 3.31Å; I277-R279 PolarHBondContact O-N 2.96Å; R279-D282 PolarHBondContact O-N 3.27Å; R279-Q283 VanDerWaalsContact NH1-CD 3.28Å; R279-Q283 VanDerWaalsContact NH1-OE1 3.11Å; R279-Q283 VanDerWaalsContact O-CG 3.31Å; R279-Q283 WeakPolarHBondContact O-CG 3.28Å; R279-Q283 PolarHBondContact O-N 3.07Å; R279-Q283 VanDerWaalsContact O-N 3.09Å
280	I	90.5	Very high	90.7	Very high	73 Å²	73	96.7 Å²	96.7	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-44	177.2	-68.6	166.3	0	0	0	110.3	S276 I277 E278 D282 Q283 F284	S276-I280 WeakPolarHBondContact O-CG1 3.38Å; S276-I280 PolarHBondContact O-N 3.44Å; S276-I280 VanDerWaalsContact O-N 3.1Å; I277-I280 PolarHBondContact O-N 3.25Å; I277-I280 VanDerWaalsContact O-N 3.16Å; E278-I280 VanDerWaalsContact C-N 3.35Å; E278-I280 PolarHBondContact O-N 2.7Å; I280-D282 PolarHBondContact O-N 3.33Å; I280-Q283 WeakPolarHBondContact O-CB 3.48Å; I280-Q283 PolarHBondContact O-N 3.47Å; I280-F284 HydrophobicContact CG2-CD2 3.79Å; I280-F284 HydrophobicContact CG2-CE2 3.79Å; I280-F284 WeakPolarHBondContact O-CD2 3.44Å; I280-F284 PolarHBondContact O-N 3.41Å
281	K	91	Very high	90.7	Very high	106 Å²	106	97.6 Å²	97.6	46%	0.461	46%	0.459	S	S	.	.	H	α-helix	trans	-54.5	-51.2	174.9	176.6	-157.5	71.6	-179	0	111	I277 E278 Q283 F284 I285	I277-K281 WeakPolarHBondContact O-CB 3.24Å; I277-K281 PolarHBondContact O-N 2.93Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.19Å; K281-Q283 VanDerWaalsContact C-N 3.29Å; K281-Q283 PolarHBondContact O-N 3.32Å; K281-F284 PolarHBondContact O-N 3.47Å; K281-I285 HydrophobicContact CD-CD1 4.35Å; K281-I285 HydrophobicContact CG-CD1 3.9Å; K281-I285 WeakPolarHBondContact O-CG1 3.27Å; K281-I285 PolarHBondContact O-N 2.83Å
282	D	89.2	Confident	90.7	Very high	87 Å²	87	94.5 Å²	94.5	47%	0.465	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-34.5	-178.4	-67.6	-18.9	0	0	0	112.1	E278 R279 I280 I285 H286	E278-D282 PolarHBondContact O-N 3.45Å; R279-D282 PolarHBondContact O-N 3.27Å; I280-D282 PolarHBondContact O-N 3.33Å; D282-I285 PolarHBondContact O-N 3.4Å; D282-H286 WeakPolarHBondContact O-CB 3.19Å; D282-H286 PolarHBondContact O-N 3.11Å
283	Q	92.2	Very high	90.7	Very high	105 Å²	105	93.9 Å²	93.9	49%	0.491	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-44.5	172.9	-74.6	178.2	-20	0	0	112.5	R279 I280 K281 H286 K287	R279-Q283 VanDerWaalsContact NH1-CD 3.28Å; R279-Q283 VanDerWaalsContact NH1-OE1 3.11Å; R279-Q283 VanDerWaalsContact O-CG 3.31Å; R279-Q283 WeakPolarHBondContact O-CG 3.28Å; R279-Q283 PolarHBondContact O-N 3.07Å; R279-Q283 VanDerWaalsContact O-N 3.09Å; I280-Q283 WeakPolarHBondContact O-CB 3.48Å; I280-Q283 PolarHBondContact O-N 3.47Å; K281-Q283 VanDerWaalsContact C-N 3.29Å; K281-Q283 PolarHBondContact O-N 3.32Å; Q283-H286 PolarHBondContact O-N 3.33Å; Q283-K287 WeakPolarHBondContact O-CB 3.19Å; Q283-K287 PolarHBondContact O-N 2.92Å
284	F	92.9	Very high	90.6	Very high	106 Å²	106	95.3 Å²	95.3	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-34.6	177.1	-84.3	-79	0	0	0	112.4	I280 K281 K287 N288 F361	I280-F284 HydrophobicContact CG2-CD2 3.79Å; I280-F284 HydrophobicContact CG2-CE2 3.79Å; I280-F284 WeakPolarHBondContact O-CD2 3.44Å; I280-F284 PolarHBondContact O-N 3.41Å; K281-F284 PolarHBondContact O-N 3.47Å; F284-K287 PolarHBondContact O-N 3.2Å; F284-N288 WeakPolarHBondContact O-CB 3.48Å; F284-N288 PolarHBondContact O-N 3.15Å; F284-F361 HydrophobicContact CD1-CD2 4.45Å; F284-F361 AromaticContact CD1-CE2 3.94Å; F284-F361 HydrophobicContact CD1-CE2 3.94Å; F284-F361 HydrophobicContact CE1-CE2 4.25Å; F284-F361 HydrophobicContact CG-CE2 4.35Å
285	I	92.5	Very high	90.5	Very high	71 Å²	71	93.4 Å²	93.4	36%	0.364	45%	0.447	S	S	.	.	H	α-helix	trans	-64.1	-44.4	173.1	-68.5	170	0	0	0	110.7	K281 D282 N288 R289	K281-I285 HydrophobicContact CD-CD1 4.35Å; K281-I285 HydrophobicContact CG-CD1 3.9Å; K281-I285 WeakPolarHBondContact O-CG1 3.27Å; K281-I285 PolarHBondContact O-N 2.83Å; D282-I285 PolarHBondContact O-N 3.4Å; I285-N288 WeakPolarHBondContact O-CB 3.21Å; I285-N288 PolarHBondContact O-N 2.82Å; I285-R289 PolarHBondContact O-N 3.42Å; I285-R289 VanDerWaalsContact O-N 3.09Å
286	H	89.2	Confident	90.4	Very high	107 Å²	107	94.1 Å²	94.1	50%	0.495	44%	0.444	S	S	.	.	H	α-helix	trans	-60.6	-48.7	176.1	-171.9	-75.3	0	0	0	111.4	D282 Q283 N288 R289 E290	D282-H286 WeakPolarHBondContact O-CB 3.19Å; D282-H286 PolarHBondContact O-N 3.11Å; Q283-H286 PolarHBondContact O-N 3.33Å; H286-N288 VanDerWaalsContact C-N 3.25Å; H286-N288 PolarHBondContact O-N 2.99Å; H286-R289 WeakPolarHBondContact O-CB 3.39Å; H286-R289 PolarHBondContact O-N 2.86Å; H286-R289 VanDerWaalsContact O-N 3.09Å; H286-E290 IonicContact CE1-OE1 3.13Å; H286-E290 PolarHBondContact CE1-OE1 2.86Å; H286-E290 IonicContact CE1-OE2 2.69Å; H286-E290 VanDerWaalsContact ND1-CD 3.28Å; H286-E290 IonicContact ND1-OE1 3.97Å; H286-E290 PolarHBondContact ND1-OE1 3.47Å; H286-E290 IonicContact ND1-OE2 3.49Å; H286-E290 PolarHBondContact ND1-OE2 2.91Å; H286-E290 PolarHBondContact O-N 3.07Å
287	K	91.8	Very high	90.3	Very high	116 Å²	116	97.6 Å²	97.6	50%	0.504	46%	0.456	S	S	.	.	H	α-helix	trans	-59.8	-37.1	177.5	-171.5	174.5	-177.7	177.6	0	112.2	Q283 F284 E290 I291	Q283-K287 WeakPolarHBondContact O-CB 3.19Å; Q283-K287 PolarHBondContact O-N 2.92Å; F284-K287 PolarHBondContact O-N 3.2Å; K287-E290 PolarHBondContact O-N 3.33Å; K287-I291 HydrophobicContact CG-CD1 4.17Å; K287-I291 VanDerWaalsContact O-CG1 3.28Å; K287-I291 WeakPolarHBondContact O-CG1 3.29Å; K287-I291 PolarHBondContact O-N 2.83Å; K287-I291 VanDerWaalsContact O-N 3.07Å
288	N	91.9	Very high	90.2	Very high	77 Å²	77	98.7 Å²	98.7	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.2	-166.8	17.8	0	0	0	111.2	F284 I285 H286 E290 I291 H292	F284-N288 WeakPolarHBondContact O-CB 3.48Å; F284-N288 PolarHBondContact O-N 3.15Å; I285-N288 WeakPolarHBondContact O-CB 3.21Å; I285-N288 PolarHBondContact O-N 2.82Å; H286-N288 VanDerWaalsContact C-N 3.25Å; H286-N288 PolarHBondContact O-N 2.99Å; N288-E290 PolarHBondContact O-N 2.97Å; N288-I291 PolarHBondContact O-N 3.38Å; N288-H292 PolarHBondContact O-CD2 2.66Å; N288-H292 VanDerWaalsContact O-CD2 3.22Å; N288-H292 PolarHBondContact O-N 2.76Å; N288-H292 PolarHBondContact OD1-CD2 3Å; N288-H292 PolarHBondContact OD1-NE2 2.86Å
289	R	91.8	Very high	90.1	Very high	163 Å²	163	98.6 Å²	98.6	62%	0.615	46%	0.459	S	S	*	.	H	α-helix	trans	-60.2	-45.6	175.4	-68.2	176.4	-176.9	165.2	1.6	112.1	I285 H286 I291 H292 D293	I285-R289 PolarHBondContact O-N 3.42Å; I285-R289 VanDerWaalsContact O-N 3.09Å; H286-R289 WeakPolarHBondContact O-CB 3.39Å; H286-R289 PolarHBondContact O-N 2.86Å; H286-R289 VanDerWaalsContact O-N 3.09Å; R289-I291 VanDerWaalsContact C-N 3.32Å; R289-I291 PolarHBondContact O-N 2.88Å; R289-H292 PolarHBondContact O-N 2.96Å; R289-H292 VanDerWaalsContact O-N 3.14Å; R289-D293 WeakPolarHBondContact O-CB 3.16Å; R289-D293 VanDerWaalsContact O-CG 3.26Å; R289-D293 PolarHBondContact O-N 3Å
290	E	90.8	Very high	90	Very high	104 Å²	104	100.5 Å²	100.5	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-44.1	177.3	-70.2	174.9	140.4	0	0	112.3	H286 K287 N288 E294	H286-E290 IonicContact CE1-OE1 3.13Å; H286-E290 PolarHBondContact CE1-OE1 2.86Å; H286-E290 IonicContact CE1-OE2 2.69Å; H286-E290 VanDerWaalsContact ND1-CD 3.28Å; H286-E290 IonicContact ND1-OE1 3.97Å; H286-E290 PolarHBondContact ND1-OE1 3.47Å; H286-E290 IonicContact ND1-OE2 3.49Å; H286-E290 PolarHBondContact ND1-OE2 2.91Å; H286-E290 PolarHBondContact O-N 3.07Å; K287-E290 PolarHBondContact O-N 3.33Å; N288-E290 PolarHBondContact O-N 2.97Å; E290-E294 WeakPolarHBondContact O-CB 3.4Å; E290-E294 PolarHBondContact O-N 2.79Å
291	I	91.3	Very high	89.9	Confident	67 Å²	67	100.3 Å²	100.3	34%	0.344	47%	0.471	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.6	-67.3	165.6	0	0	0	110.5	K287 N288 R289 E294 L295 A359	K287-I291 HydrophobicContact CG-CD1 4.17Å; K287-I291 VanDerWaalsContact O-CG1 3.28Å; K287-I291 WeakPolarHBondContact O-CG1 3.29Å; K287-I291 PolarHBondContact O-N 2.83Å; K287-I291 VanDerWaalsContact O-N 3.07Å; N288-I291 PolarHBondContact O-N 3.38Å; R289-I291 VanDerWaalsContact C-N 3.32Å; R289-I291 PolarHBondContact O-N 2.88Å; I291-E294 PolarHBondContact O-N 2.88Å; I291-L295 HydrophobicContact CG2-CD1 4.08Å; I291-L295 VanDerWaalsContact O-CG 3.29Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 2.89Å; I291-A359 HydrophobicContact CG2-CB 4Å
292	H	90.5	Very high	89.7	Confident	80 Å²	80	100 Å²	100	37%	0.37	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-46.2	178	-85.6	-76.3	0	0	0	112.5	N288 R289 E294 L295 E296	N288-H292 PolarHBondContact O-CD2 2.66Å; N288-H292 VanDerWaalsContact O-CD2 3.22Å; N288-H292 PolarHBondContact O-N 2.76Å; N288-H292 PolarHBondContact OD1-CD2 3Å; N288-H292 PolarHBondContact OD1-NE2 2.86Å; R289-H292 PolarHBondContact O-N 2.96Å; R289-H292 VanDerWaalsContact O-N 3.14Å; H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 PolarHBondContact O-N 2.82Å; H292-L295 PolarHBondContact O-N 2.84Å; H292-E296 WeakPolarHBondContact O-CB 3.41Å; H292-E296 WeakPolarHBondContact O-CG 3.33Å; H292-E296 PolarHBondContact O-N 3.27Å
293	D	88.7	Confident	89.7	Confident	92 Å²	92	100.1 Å²	100.1	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-58.6	-41	177.3	-68.8	-16.7	0	0	0	110.9	R289 E296 M297	R289-D293 WeakPolarHBondContact O-CB 3.16Å; R289-D293 VanDerWaalsContact O-CG 3.26Å; R289-D293 PolarHBondContact O-N 3Å; D293-E296 PolarHBondContact O-N 2.75Å; D293-M297 WeakPolarHBondContact O-CB 3.27Å; D293-M297 VanDerWaalsContact O-CG 3.23Å; D293-M297 WeakPolarHBondContact O-CG 3.42Å; D293-M297 PolarHBondContact O-N 2.73Å
294	E	88.3	Confident	89.6	Confident	110 Å²	110	98.9 Å²	98.9	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-43	177	-165.5	-171.6	156.4	0	0	112.1	E290 I291 H292 M297 K298	E290-E294 WeakPolarHBondContact O-CB 3.4Å; E290-E294 PolarHBondContact O-N 2.79Å; I291-E294 PolarHBondContact O-N 2.88Å; H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 PolarHBondContact O-N 2.82Å; E294-M297 PolarHBondContact O-N 2.8Å; E294-K298 WeakPolarHBondContact O-CG 3.25Å; E294-K298 PolarHBondContact O-N 2.86Å; E294-K298 VanDerWaalsContact O-N 3.07Å; E294-K298 VanDerWaalsContact OE1-CE 3.3Å; E294-K298 WeakPolarHBondContact OE1-CE 3.48Å; E294-K298 IonicContact OE1-NZ 3.3Å; E294-K298 PolarHBondContact OE1-NZ 2.94Å
295	L	89.3	Confident	89.4	Confident	43 Å²	43	97.3 Å²	97.3	23%	0.225	46%	0.463	C	S	.	.	H	α-helix	trans	-65	-42.6	175.8	-71.7	175.9	0	0	0	111.5	I291 H292 K298 I299 A357 A359	I291-L295 HydrophobicContact CG2-CD1 4.08Å; I291-L295 VanDerWaalsContact O-CG 3.29Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 2.89Å; H292-L295 PolarHBondContact O-N 2.84Å; L295-K298 PolarHBondContact O-N 2.8Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 3.49Å; L295-A357 HydrophobicContact CD2-CB 4.26Å; L295-A359 HydrophobicContact CD1-CB 4.49Å
296	E	88.7	Confident	89.3	Confident	102 Å²	102	97.2 Å²	97.2	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-45.1	176.4	-77.2	-175.6	-172.8	0	0	111.5	H292 D293 K298 I299 W300	H292-E296 WeakPolarHBondContact O-CB 3.41Å; H292-E296 WeakPolarHBondContact O-CG 3.33Å; H292-E296 PolarHBondContact O-N 3.27Å; D293-E296 PolarHBondContact O-N 2.75Å; E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.87Å; E296-I299 PolarHBondContact O-N 2.86Å; E296-W300 WeakPolarHBondContact O-CB 3.39Å; E296-W300 PolarHBondContact O-N 2.89Å
297	M	85.2	Confident	89.4	Confident	131 Å²	131	94.8 Å²	94.8	65%	0.645	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-41.6	176.3	-73.9	-67.9	138.6	0	0	112	D293 E294 W300 S301	D293-M297 WeakPolarHBondContact O-CB 3.27Å; D293-M297 VanDerWaalsContact O-CG 3.23Å; D293-M297 WeakPolarHBondContact O-CG 3.42Å; D293-M297 PolarHBondContact O-N 2.73Å; E294-M297 PolarHBondContact O-N 2.8Å; M297-W300 PolarHBondContact O-N 3.17Å; M297-S301 WeakPolarHBondContact O-CB 3.27Å; M297-S301 PolarHBondContact O-N 3.16Å
298	K	88.4	Confident	89.4	Confident	113 Å²	113	95.4 Å²	95.4	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-46.8	175	-74.2	172.7	-174.1	168.1	0	111.1	E294 L295 E296 S301 R302	E294-K298 WeakPolarHBondContact O-CG 3.25Å; E294-K298 PolarHBondContact O-N 2.86Å; E294-K298 VanDerWaalsContact O-N 3.07Å; E294-K298 VanDerWaalsContact OE1-CE 3.3Å; E294-K298 WeakPolarHBondContact OE1-CE 3.48Å; E294-K298 IonicContact OE1-NZ 3.3Å; E294-K298 PolarHBondContact OE1-NZ 2.94Å; L295-K298 PolarHBondContact O-N 2.8Å; E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.87Å; K298-S301 PolarHBondContact O-N 3.3Å; K298-S301 PolarHBondContact O-OG 3.16Å; K298-R302 PolarHBondContact O-N 3.46Å
299	I	87.5	Confident	89.4	Confident	90 Å²	90	93.2 Å²	93.2	46%	0.462	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-47.6	178.1	-67.7	165.9	0	0	0	110.9	L295 E296 S301 R302 I303	L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 3.49Å; E296-I299 PolarHBondContact O-N 2.86Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 2.98Å; I299-R302 WeakPolarHBondContact O-CB 3.42Å; I299-R302 PolarHBondContact O-N 3.46Å; I299-R302 VanDerWaalsContact O-N 3.1Å; I299-I303 HydrophobicContact CG2-CD1 3.78Å; I299-I303 HydrophobicContact CG2-CG1 4.34Å; I299-I303 WeakPolarHBondContact O-CG1 3.12Å; I299-I303 PolarHBondContact O-N 3.46Å
300	W	88	Confident	89.4	Confident	168 Å²	168	89.2 Å²	89.2	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-58.4	-42.9	177.3	-98.4	104.2	0	0	0	112.7	E296 M297 R302 I303 N304	E296-W300 WeakPolarHBondContact O-CB 3.39Å; E296-W300 PolarHBondContact O-N 2.89Å; M297-W300 PolarHBondContact O-N 3.17Å; W300-R302 VanDerWaalsContact C-N 3.25Å; W300-R302 PolarHBondContact O-N 3.44Å; W300-I303 PolarHBondContact O-N 2.98Å; W300-N304 WeakPolarHBondContact O-CB 3.34Å; W300-N304 PolarHBondContact O-N 3.01Å
301	S	87.9	Confident	89.5	Confident	68 Å²	68	88.8 Å²	88.8	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-37.1	177.3	78.7	0	0	0	0	112	M297 K298 I299 T305	M297-S301 WeakPolarHBondContact O-CB 3.27Å; M297-S301 PolarHBondContact O-N 3.16Å; K298-S301 PolarHBondContact O-N 3.3Å; K298-S301 PolarHBondContact O-OG 3.16Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 2.98Å; S301-T305 PolarHBondContact O-N 2.87Å; S301-T305 VanDerWaalsContact O-N 3.1Å; S301-T305 PolarHBondContact O-OG1 3.1Å
302	R	87.5	Confident	89.6	Confident	100 Å²	100	90 Å²	90	38%	0.377	45%	0.447	S	S	.	.	H	α-helix	trans	-71.9	-45	178	-167.1	65.9	173.7	122.2	-1.9	111.4	K298 I299 W300 N304 T305 M306	K298-R302 PolarHBondContact O-N 3.46Å; I299-R302 WeakPolarHBondContact O-CB 3.42Å; I299-R302 PolarHBondContact O-N 3.46Å; I299-R302 VanDerWaalsContact O-N 3.1Å; W300-R302 VanDerWaalsContact C-N 3.25Å; W300-R302 PolarHBondContact O-N 3.44Å; R302-N304 VanDerWaalsContact C-N 3.35Å; R302-N304 PolarHBondContact O-N 3.1Å; R302-T305 PolarHBondContact O-N 2.71Å; R302-M306 HydrophobicContact CG-SD 4.22Å; R302-M306 WeakPolarHBondContact O-CG 3.44Å; R302-M306 PolarHBondContact O-N 3.27Å
303	I	89.3	Confident	89.7	Confident	89 Å²	89	88.6 Å²	88.6	46%	0.456	44%	0.444	S	S	.	.	H	α-helix	trans	-57.2	-48.1	174.4	-69.1	172	0	0	0	110.3	I299 W300 T305 M306 S307	I299-I303 HydrophobicContact CG2-CD1 3.78Å; I299-I303 HydrophobicContact CG2-CG1 4.34Å; I299-I303 WeakPolarHBondContact O-CG1 3.12Å; I299-I303 PolarHBondContact O-N 3.46Å; W300-I303 PolarHBondContact O-N 2.98Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 3.2Å; I303-M306 PolarHBondContact O-N 2.77Å; I303-M306 VanDerWaalsContact O-N 3.16Å; I303-S307 WeakPolarHBondContact O-CB 3.35Å; I303-S307 PolarHBondContact O-N 2.77Å
304	N	90.5	Very high	89.9	Confident	79 Å²	79	88.5 Å²	88.5	42%	0.422	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-39.6	179.3	-174.4	37.5	0	0	0	112.2	W300 R302 S307 K308	W300-N304 WeakPolarHBondContact O-CB 3.34Å; W300-N304 PolarHBondContact O-N 3.01Å; R302-N304 VanDerWaalsContact C-N 3.35Å; R302-N304 PolarHBondContact O-N 3.1Å; N304-S307 PolarHBondContact O-N 2.84Å; N304-K308 WeakPolarHBondContact O-CG 3.35Å; N304-K308 PolarHBondContact O-N 3.42Å; N304-K308 VanDerWaalsContact O-N 3.08Å
305	T	89.4	Confident	90.2	Very high	73 Å²	73	89.7 Å²	89.7	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-42.5	175.6	-54.8	0	0	0	0	111.3	S301 R302 I303 K308 T309	S301-T305 PolarHBondContact O-N 2.87Å; S301-T305 VanDerWaalsContact O-N 3.1Å; S301-T305 PolarHBondContact O-OG1 3.1Å; R302-T305 PolarHBondContact O-N 2.71Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 3.2Å; T305-K308 PolarHBondContact O-N 3.16Å; T305-T309 PolarHBondContact O-N 3.43Å; T305-T309 PolarHBondContact O-OG1 2.85Å
306	M	89	Confident	90.3	Very high	69 Å²	69	88 Å²	88	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-65.7	-41.7	176.2	-70	170	64.4	0	0	111.8	R302 I303 K308 T309 V310 V351	R302-M306 HydrophobicContact CG-SD 4.22Å; R302-M306 WeakPolarHBondContact O-CG 3.44Å; R302-M306 PolarHBondContact O-N 3.27Å; I303-M306 PolarHBondContact O-N 2.77Å; I303-M306 VanDerWaalsContact O-N 3.16Å; M306-K308 PolarHBondContact O-N 3.05Å; M306-T309 WeakPolarHBondContact O-CB 3.21Å; M306-T309 PolarHBondContact O-N 3.16Å; M306-T309 VanDerWaalsContact O-N 3.11Å; M306-V310 WeakPolarHBondContact O-CG2 3.41Å; M306-V310 PolarHBondContact O-N 3.26Å; M306-V351 HydrophobicContact CE-CG1 3.94Å
307	S	92.5	Very high	90.5	Very high	56 Å²	56	85.2 Å²	85.2	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-57.6	-47.5	176.1	-167	0	0	0	0	111.3	I303 N304 T309 V310 D311	I303-S307 WeakPolarHBondContact O-CB 3.35Å; I303-S307 PolarHBondContact O-N 2.77Å; N304-S307 PolarHBondContact O-N 2.84Å; S307-T309 VanDerWaalsContact C-N 3.27Å; S307-T309 PolarHBondContact O-N 3.09Å; S307-V310 WeakPolarHBondContact O-CB 3.44Å; S307-V310 PolarHBondContact O-N 3.4Å; S307-D311 VanDerWaalsContact O-CG 3.27Å; S307-D311 PolarHBondContact O-N 3.35Å
308	K	91.4	Very high	90.8	Very high	130 Å²	130	83.1 Å²	83.1	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-60.4	-36.2	175.9	-70.5	174.4	-177.7	-178.8	0	112.7	N304 T305 M306 H312	N304-K308 WeakPolarHBondContact O-CG 3.35Å; N304-K308 PolarHBondContact O-N 3.42Å; N304-K308 VanDerWaalsContact O-N 3.08Å; T305-K308 PolarHBondContact O-N 3.16Å; M306-K308 PolarHBondContact O-N 3.05Å; K308-H312 WeakPolarHBondContact O-CB 3.39Å; K308-H312 PolarHBondContact O-N 2.71Å; K308-H312 VanDerWaalsContact O-N 3.08Å
309	T	90.7	Very high	91	Very high	31 Å²	31	81.9 Å²	81.9	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-66.5	-42.6	174.1	-62.7	0	0	0	0	111	T305 M306 S307 H312 V313 L346 Q349	T305-T309 PolarHBondContact O-N 3.43Å; T305-T309 PolarHBondContact O-OG1 2.85Å; M306-T309 WeakPolarHBondContact O-CB 3.21Å; M306-T309 PolarHBondContact O-N 3.16Å; M306-T309 VanDerWaalsContact O-N 3.11Å; S307-T309 VanDerWaalsContact C-N 3.27Å; S307-T309 PolarHBondContact O-N 3.09Å; T309-H312 PolarHBondContact O-N 2.91Å; T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.37Å; T309-L346 HydrophobicContact CG2-CD2 4.48Å; T309-Q349 HydrophobicContact CG2-CG 4.48Å; T309-Q349 PolarHBondContact OG1-OE1 3.49Å
310	V	92.3	Very high	91.1	Very high	79 Å²	79	79.2 Å²	79.2	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-59.5	-50.5	176	172.8	0	0	0	0	110.5	M306 S307 H312 V313 D314	M306-V310 WeakPolarHBondContact O-CG2 3.41Å; M306-V310 PolarHBondContact O-N 3.26Å; S307-V310 WeakPolarHBondContact O-CB 3.44Å; S307-V310 PolarHBondContact O-N 3.4Å; V310-H312 PolarHBondContact O-N 3.24Å; V310-V313 WeakPolarHBondContact O-CB 3.33Å; V310-V313 PolarHBondContact O-N 2.83Å; V310-D314 PolarHBondContact O-N 3.02Å
311	D	92.9	Very high	91.2	Very high	94 Å²	94	77 Å²	77	50%	0.503	40%	0.4	S	S	.	.	H	α-helix	trans	-57.8	-38.6	178.4	-61	-31.2	0	0	0	112	S307 D314 F315	S307-D311 VanDerWaalsContact O-CG 3.27Å; S307-D311 PolarHBondContact O-N 3.35Å; D311-D314 PolarHBondContact O-N 3.05Å; D311-F315 WeakPolarHBondContact O-CB 3.46Å; D311-F315 PolarHBondContact O-N 2.83Å
312	H	93.6	Very high	91.3	Very high	92 Å²	92	77.5 Å²	77.5	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-69.9	-36.4	177.8	-168.9	-168.6	0	0	0	112.3	K308 T309 V310 A316 L346	K308-H312 WeakPolarHBondContact O-CB 3.39Å; K308-H312 PolarHBondContact O-N 2.71Å; K308-H312 VanDerWaalsContact O-N 3.08Å; T309-H312 PolarHBondContact O-N 2.91Å; V310-H312 PolarHBondContact O-N 3.24Å; H312-A316 VanDerWaalsContact O-CB 3.25Å; H312-A316 WeakPolarHBondContact O-CB 3.49Å; H312-A316 PolarHBondContact O-N 3.2Å; H312-L346 HydrophobicContact CB-CD2 4.46Å
313	V	92.5	Very high	91.3	Very high	51 Å²	51	73.4 Å²	73.4	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-45.6	173.5	170.9	0	0	0	0	110.6	T309 V310 A316 C317 L346	T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.37Å; V310-V313 WeakPolarHBondContact O-CB 3.33Å; V310-V313 PolarHBondContact O-N 2.83Å; V313-A316 PolarHBondContact O-N 2.78Å; V313-C317 WeakPolarHBondContact O-CB 3.31Å; V313-C317 PolarHBondContact O-N 2.68Å; V313-C317 PolarHBondContact O-SG 2.94Å; V313-L346 HydrophobicContact CG2-CB 4.24Å; V313-L346 HydrophobicContact CG2-CD1 4.11Å; V313-L346 HydrophobicContact CG2-CD2 4.07Å; V313-L346 HydrophobicContact CG2-CG 4.37Å
314	D	92.8	Very high	91.2	Very high	90 Å²	90	74.3 Å²	74.3	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-48	178.6	-73.8	-24.1	0	0	0	111.3	V310 D311 A316 C317 D318	V310-D314 PolarHBondContact O-N 3.02Å; D311-D314 PolarHBondContact O-N 3.05Å; D314-A316 PolarHBondContact O-N 3.47Å; D314-C317 PolarHBondContact O-N 3.13Å; D314-D318 PolarHBondContact O-N 2.83Å
315	F	93.9	Very high	91.1	Very high	136 Å²	136	79.1 Å²	79.1	60%	0.596	41%	0.407	S	S	*	.	H	α-helix	trans	-58.7	-45.9	175	176.4	-97.4	0	0	0	112.2	D311 C317 D318 F319	D311-F315 WeakPolarHBondContact O-CB 3.46Å; D311-F315 PolarHBondContact O-N 2.83Å; F315-C317 VanDerWaalsContact C-N 3.31Å; F315-C317 PolarHBondContact O-N 2.81Å; F315-D318 PolarHBondContact O-N 2.84Å; F315-F319 VanDerWaalsContact O-CB 3.27Å; F315-F319 WeakPolarHBondContact O-CB 3.44Å; F315-F319 PolarHBondContact O-N 3.16Å
316	A	92.3	Very high	91	Very high	7 Å²	7	84 Å²	84	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178.8	0	0	0	0	0	111.5	H312 V313 D314 V320 F343 L346	H312-A316 VanDerWaalsContact O-CB 3.25Å; H312-A316 WeakPolarHBondContact O-CB 3.49Å; H312-A316 PolarHBondContact O-N 3.2Å; V313-A316 PolarHBondContact O-N 2.78Å; D314-A316 PolarHBondContact O-N 3.47Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 2.87Å; A316-V320 VanDerWaalsContact O-N 3.1Å; A316-F343 HydrophobicContact CB-CE1 4.45Å; A316-F343 HydrophobicContact CB-CE2 4.04Å; A316-F343 HydrophobicContact CB-CZ 3.85Å; A316-F343 WeakPolarHBondContact O-CZ 3.45Å; A316-L346 HydrophobicContact CB-CD1 3.99Å
317	C	92.1	Very high	90.9	Very high	44 Å²	44	82.8 Å²	82.8	30%	0.297	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-46.5	177.4	-70.4	0	0	0	0	111.9	V313 D314 F315 V320 K321	V313-C317 WeakPolarHBondContact O-CB 3.31Å; V313-C317 PolarHBondContact O-N 2.68Å; V313-C317 PolarHBondContact O-SG 2.94Å; D314-C317 PolarHBondContact O-N 3.13Å; F315-C317 VanDerWaalsContact C-N 3.31Å; F315-C317 PolarHBondContact O-N 2.81Å; C317-V320 PolarHBondContact O-N 2.85Å; C317-K321 WeakPolarHBondContact O-CG 3.42Å; C317-K321 PolarHBondContact O-N 2.83Å; C317-K321 VanDerWaalsContact O-N 3.1Å
318	D	92.1	Very high	90.6	Very high	87 Å²	87	83 Å²	83	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-37.5	179.4	-76.4	-12	0	0	0	112.5	D314 F315 V320 K321 V322	D314-D318 PolarHBondContact O-N 2.83Å; F315-D318 PolarHBondContact O-N 2.84Å; D318-V320 VanDerWaalsContact C-N 3.33Å; D318-V320 PolarHBondContact O-N 2.82Å; D318-K321 PolarHBondContact O-N 3.29Å; D318-K321 IonicContact OD1-NZ 2.81Å; D318-K321 PolarHBondContact OD1-NZ 3.27Å; D318-V322 WeakPolarHBondContact O-CG2 3.37Å; D318-V322 PolarHBondContact O-N 3.36Å; D318-V322 VanDerWaalsContact O-N 3.1Å
319	F	92.1	Very high	90.3	Very high	87 Å²	87	83.3 Å²	83.3	38%	0.382	43%	0.429	S	S	.	.	H	α-helix	trans	-54.5	-49.8	171.4	177.7	-92.8	0	0	0	110.9	F315 K321 V322 Y323 V339	F315-F319 VanDerWaalsContact O-CB 3.27Å; F315-F319 WeakPolarHBondContact O-CB 3.44Å; F315-F319 PolarHBondContact O-N 3.16Å; F319-K321 PolarHBondContact O-N 3.25Å; F319-V322 PolarHBondContact O-N 3.44Å; F319-Y323 HydrophobicContact CE1-CD2 4.31Å; F319-Y323 HydrophobicContact CE1-CG 4.19Å; F319-Y323 HydrophobicContact CZ-CD2 4.22Å; F319-Y323 WeakPolarHBondContact O-CB 3.14Å; F319-Y323 PolarHBondContact O-N 3.32Å; F319-V339 HydrophobicContact CE1-CG2 3.92Å
320	V	90.7	Very high	90.2	Very high	33 Å²	33	87.8 Å²	87.8	20%	0.2	45%	0.45	C	S	.	.	H	α-helix	trans	-64.4	-41	-179.9	171.6	0	0	0	0	112.3	A316 C317 D318 V322 Y323 L324 V339 F343	A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 2.87Å; A316-V320 VanDerWaalsContact O-N 3.1Å; C317-V320 PolarHBondContact O-N 2.85Å; D318-V320 VanDerWaalsContact C-N 3.33Å; D318-V320 PolarHBondContact O-N 2.82Å; V320-V322 VanDerWaalsContact C-N 3.28Å; V320-V322 PolarHBondContact O-N 3.36Å; V320-Y323 PolarHBondContact O-N 3.07Å; V320-L324 HydrophobicContact CG1-CD1 3.7Å; V320-L324 HydrophobicContact CG1-CG 4.15Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.09Å; V320-V339 HydrophobicContact CG2-CG1 3.58Å; V320-F343 HydrophobicContact CB-CE2 4.5Å; V320-F343 HydrophobicContact CB-CZ 4.42Å; V320-F343 HydrophobicContact CG2-CD2 4.44Å; V320-F343 HydrophobicContact CG2-CE2 3.36Å; V320-F343 HydrophobicContact CG2-CZ 3.7Å
321	K	90.2	Very high	89.8	Confident	123 Å²	123	88.6 Å²	88.6	54%	0.535	45%	0.449	S	S	.	.	H	α-helix	trans	-58.6	-39.8	176.9	-71.5	172.7	-162.6	157.3	0	112.2	C317 D318 F319 K325	C317-K321 WeakPolarHBondContact O-CG 3.42Å; C317-K321 PolarHBondContact O-N 2.83Å; C317-K321 VanDerWaalsContact O-N 3.1Å; D318-K321 PolarHBondContact O-N 3.29Å; D318-K321 IonicContact OD1-NZ 2.81Å; D318-K321 PolarHBondContact OD1-NZ 3.27Å; F319-K321 PolarHBondContact O-N 3.25Å; K321-K325 WeakPolarHBondContact O-CG 3.28Å
322	V	89.9	Confident	89.5	Confident	77 Å²	77	85.7 Å²	85.7	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-79.2	-43.9	179.7	177.8	0	0	0	0	111.1	D318 F319 V320 L324 K325 K326	D318-V322 WeakPolarHBondContact O-CG2 3.37Å; D318-V322 PolarHBondContact O-N 3.36Å; D318-V322 VanDerWaalsContact O-N 3.1Å; F319-V322 PolarHBondContact O-N 3.44Å; V320-V322 VanDerWaalsContact C-N 3.28Å; V320-V322 PolarHBondContact O-N 3.36Å; V322-L324 PolarHBondContact O-N 3.35Å; V322-K325 PolarHBondContact O-N 2.6Å; V322-K325 VanDerWaalsContact O-N 3.08Å; V322-K326 HydrophobicContact CG1-CD 3.92Å; V322-K326 HydrophobicContact CG1-CG 4.34Å; V322-K326 PolarHBondContact O-N 3.35Å
323	Y	87.8	Confident	89.2	Confident	14 Å²	14	86.1 Å²	86.1	6%	0.055	45%	0.445	C	S	.	.	H	α-helix	trans	-55.8	-48	179.9	176.4	-109.6	0	0	0	112.3	F319 V320 K325 C327 E331 I332 L335	F319-Y323 HydrophobicContact CE1-CD2 4.31Å; F319-Y323 HydrophobicContact CE1-CG 4.19Å; F319-Y323 HydrophobicContact CZ-CD2 4.22Å; F319-Y323 WeakPolarHBondContact O-CB 3.14Å; F319-Y323 PolarHBondContact O-N 3.32Å; V320-Y323 PolarHBondContact O-N 3.07Å; Y323-K325 PolarHBondContact O-N 2.92Å; Y323-C327 HydrophobicContact CD2-CB 4.17Å; Y323-C327 WeakPolarHBondContact CD2-SG 3.38Å; Y323-C327 HydrophobicContact CE2-CB 4.22Å; Y323-C327 WeakPolarHBondContact O-CB 3.2Å; Y323-C327 PolarHBondContact O-N 2.57Å; Y323-E331 PolarHBondContact OH-O 2.88Å; Y323-E331 VanDerWaalsContact OH-O 3.05Å; Y323-I332 HydrophobicContact CE1-CB 4.38Å; Y323-I332 HydrophobicContact CE1-CG1 4.22Å; Y323-I332 HydrophobicContact CE1-CG2 4.1Å; Y323-I332 WeakPolarHBondContact OH-CA 2.91Å; Y323-I332 PolarHBondContact OH-O 3.41Å; Y323-L335 HydrophobicContact CE2-CB 4.29Å; Y323-L335 HydrophobicContact CE2-CD1 3.92Å; Y323-L335 VanDerWaalsContact OH-CB 3.29Å; Y323-L335 WeakPolarHBondContact OH-CB 3.4Å
324	L	87.5	Confident	88.9	Confident	109 Å²	109	91.2 Å²	91.2	57%	0.571	46%	0.463	S	S	*	.	H	α-helix	trans	-66.6	-24.2	178.2	-69.2	174.8	0	0	0	113.5	V320 V322	V320-L324 HydrophobicContact CG1-CD1 3.7Å; V320-L324 HydrophobicContact CG1-CG 4.15Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.09Å; V322-L324 PolarHBondContact O-N 3.35Å
325	K	88.2	Confident	88.7	Confident	180 Å²	180	90.6 Å²	90.6	78%	0.783	46%	0.459	S	S	*	.	H	α-helix	trans	-88.2	-30.9	-179.3	-74.5	-178.8	-179.3	-178	0	113.9	K321 V322 Y323	K321-K325 WeakPolarHBondContact O-CG 3.28Å; V322-K325 PolarHBondContact O-N 2.6Å; V322-K325 VanDerWaalsContact O-N 3.08Å; Y323-K325 PolarHBondContact O-N 2.92Å
326	K	86.9	Confident	88.5	Confident	175 Å²	175	89.8 Å²	89.8	76%	0.761	46%	0.456	S	S	*	.	H	α-helix	trans	-110.8	-25.3	-168.3	-69.4	-168.5	177.7	-177.4	0	115.3	V322	V322-K326 HydrophobicContact CG1-CD 3.92Å; V322-K326 HydrophobicContact CG1-CG 4.34Å; V322-K326 PolarHBondContact O-N 3.35Å
327	C	86	Confident	88.4	Confident	44 Å²	44	97.4 Å²	97.4	30%	0.297	49%	0.487	S	S	.	.	S	Bend	trans	-85	151.3	-173	-70.1	0	0	0	0	112.8	Y323 E331 I332	Y323-C327 HydrophobicContact CD2-CB 4.17Å; Y323-C327 WeakPolarHBondContact CD2-SG 3.38Å; Y323-C327 HydrophobicContact CE2-CB 4.22Å; Y323-C327 WeakPolarHBondContact O-CB 3.2Å; Y323-C327 PolarHBondContact O-N 2.57Å; C327-E331 HydrophobicContact CB-CB 4.22Å; C327-I332 HydrophobicContact CB-CD1 4.47Å; C327-I332 HydrophobicContact CB-CG1 3.83Å
328	S	86.3	Confident	88.3	Confident	59 Å²	59	100.2 Å²	100.2	41%	0.413	50%	0.499	S	S	.	.			trans	-71.1	153.5	171.9	65.1	0	0	0	0	111.4	I330 E331 I332	S328-I330 PolarHBondContact O-N 2.68Å; S328-E331 PolarHBondContact N-OE2 3.16Å; S328-E331 PolarHBondContact O-N 2.98Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.36Å; S328-E331 PolarHBondContact OG-OE2 3.01Å; S328-I332 WeakPolarHBondContact O-CG1 3.18Å; S328-I332 PolarHBondContact O-N 2.78Å
329	N	86.5	Confident	88.2	Confident	137 Å²	137	97.2 Å²	97.2	73%	0.733	48%	0.484	S	S	*	.	H	α-helix	trans	-52.3	-35.5	-178.4	-69.6	-16	0	0	0	113.5	I332 C333	N329-I332 PolarHBondContact O-N 3.15Å; N329-C333 PolarHBondContact O-N 3.31Å; N329-C333 PolarHBondContact O-SG 3.08Å; N329-C333 VanDerWaalsContact O-SG 3.33Å
330	I	87	Confident	88.1	Confident	125 Å²	125	97.4 Å²	97.4	64%	0.641	49%	0.489	S	S	*	.	H	α-helix	trans	-72	-41.4	179.5	-70.7	160.5	0	0	0	111.7	S328 I332 C333 K334	S328-I330 PolarHBondContact O-N 2.68Å; I330-I332 VanDerWaalsContact C-N 3.28Å; I330-C333 PolarHBondContact O-N 3.49Å; I330-K334 WeakPolarHBondContact O-CG 3.36Å; I330-K334 PolarHBondContact O-N 3.25Å
331	E	84.3	Confident	88.2	Confident	96 Å²	96	98.6 Å²	98.6	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-38.6	174.1	-70.1	165.2	152.1	0	0	110.7	Y323 C327 S328 C333 K334 L335	Y323-E331 PolarHBondContact OH-O 2.88Å; Y323-E331 VanDerWaalsContact OH-O 3.05Å; C327-E331 HydrophobicContact CB-CB 4.22Å; S328-E331 PolarHBondContact N-OE2 3.16Å; S328-E331 PolarHBondContact O-N 2.98Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.36Å; S328-E331 PolarHBondContact OG-OE2 3.01Å; E331-C333 VanDerWaalsContact C-N 3.31Å; E331-C333 PolarHBondContact O-N 3.39Å; E331-K334 PolarHBondContact O-N 3.34Å; E331-K334 VanDerWaalsContact O-N 3.09Å; E331-L335 PolarHBondContact O-N 2.9Å
332	I	87.3	Confident	88.3	Confident	34 Å²	34	94.6 Å²	94.6	17%	0.174	49%	0.489	C	S	.	.	H	α-helix	trans	-54.9	-48.2	175.3	-67.1	173.9	0	0	0	110.7	Y323 C327 S328 N329 I330 K334 F336	Y323-I332 HydrophobicContact CE1-CB 4.38Å; Y323-I332 HydrophobicContact CE1-CG1 4.22Å; Y323-I332 HydrophobicContact CE1-CG2 4.1Å; Y323-I332 WeakPolarHBondContact OH-CA 2.91Å; Y323-I332 PolarHBondContact OH-O 3.41Å; C327-I332 HydrophobicContact CB-CD1 4.47Å; C327-I332 HydrophobicContact CB-CG1 3.83Å; S328-I332 WeakPolarHBondContact O-CG1 3.18Å; S328-I332 PolarHBondContact O-N 2.78Å; N329-I332 PolarHBondContact O-N 3.15Å; I330-I332 VanDerWaalsContact C-N 3.28Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 2.97Å; I332-F336 WeakPolarHBondContact O-CB 3.41Å; I332-F336 PolarHBondContact O-N 2.81Å; I332-F336 VanDerWaalsContact O-N 3.13Å
333	C	86.9	Confident	88.4	Confident	100 Å²	100	94.2 Å²	94.2	68%	0.676	48%	0.481	S	S	*	.	H	α-helix	trans	-64.4	-32.4	178.6	-67.1	0	0	0	0	113.6	N329 I330 E331	N329-C333 PolarHBondContact O-N 3.31Å; N329-C333 PolarHBondContact O-SG 3.08Å; N329-C333 VanDerWaalsContact O-SG 3.33Å; I330-C333 PolarHBondContact O-N 3.49Å; E331-C333 VanDerWaalsContact C-N 3.31Å; E331-C333 PolarHBondContact O-N 3.39Å
334	K	86.5	Confident	88.6	Confident	159 Å²	159	97.2 Å²	97.2	69%	0.691	50%	0.499	S	S	*	.	H	α-helix	trans	-68.8	-42.9	-177.7	-74.6	178.7	-179.4	179.4	0	113	I330 E331 I332	I330-K334 WeakPolarHBondContact O-CG 3.36Å; I330-K334 PolarHBondContact O-N 3.25Å; E331-K334 PolarHBondContact O-N 3.34Å; E331-K334 VanDerWaalsContact O-N 3.09Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 2.97Å
335	L	88.2	Confident	88.9	Confident	77 Å²	77	99.4 Å²	99.4	40%	0.403	50%	0.503	S	S	.	.	H	α-helix	trans	-95.1	-6.4	-179	-56.5	163.2	0	0	0	113.5	Y323 E331 K337 N338 V339	Y323-L335 HydrophobicContact CE2-CB 4.29Å; Y323-L335 HydrophobicContact CE2-CD1 3.92Å; Y323-L335 VanDerWaalsContact OH-CB 3.29Å; Y323-L335 WeakPolarHBondContact OH-CB 3.4Å; E331-L335 PolarHBondContact O-N 2.9Å; L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.13Å; L335-N338 WeakPolarHBondContact O-CB 3.46Å; L335-N338 PolarHBondContact O-N 3.32Å; L335-V339 WeakPolarHBondContact O-CG2 3.44Å; L335-V339 PolarHBondContact O-N 2.81Å
336	F	89.4	Confident	89	Confident	118 Å²	118	91.8 Å²	91.8	52%	0.518	47%	0.471	S	S	.	.	H	α-helix	trans	-50.5	-45.7	-178.3	-175.9	-115.3	0	0	0	113.4	I332 N338 V339 L340	I332-F336 WeakPolarHBondContact O-CB 3.41Å; I332-F336 PolarHBondContact O-N 2.81Å; I332-F336 VanDerWaalsContact O-N 3.13Å; F336-N338 VanDerWaalsContact C-N 3.33Å; F336-N338 PolarHBondContact O-N 3.37Å; F336-V339 PolarHBondContact O-N 3.18Å; F336-L340 HydrophobicContact CD1-CD1 3.88Å; F336-L340 HydrophobicContact CD2-CG 4.47Å; F336-L340 HydrophobicContact CE1-CD1 3.32Å; F336-L340 HydrophobicContact CE1-CG 4.2Å; F336-L340 HydrophobicContact CE2-CD1 4.07Å; F336-L340 HydrophobicContact CE2-CD2 4.43Å; F336-L340 HydrophobicContact CE2-CG 4.11Å; F336-L340 HydrophobicContact CG-CD1 4.47Å; F336-L340 HydrophobicContact CZ-CD1 3.44Å; F336-L340 VanDerWaalsContact CZ-CD1 3.44Å; F336-L340 HydrophobicContact CZ-CD2 4.35Å; F336-L340 HydrophobicContact CZ-CG 3.98Å; F336-L340 PolarHBondContact O-N 3.17Å
337	K	90.5	Very high	89.1	Confident	167 Å²	167	87.9 Å²	87.9	73%	0.726	47%	0.466	S	S	*	.	H	α-helix	trans	-61.8	-39.5	178.9	-172.4	179.7	178.9	-177.8	0	112.5	L335 A341	L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.13Å; K337-A341 WeakPolarHBondContact O-CB 3.24Å; K337-A341 PolarHBondContact O-N 3.43Å
338	N	89.6	Confident	89.3	Confident	103 Å²	103	92.3 Å²	92.3	55%	0.551	48%	0.48	S	S	*	.	H	α-helix	trans	-71.7	-41	-179.2	-65.8	-16	0	0	0	111.2	L335 F336 A341 C342	L335-N338 WeakPolarHBondContact O-CB 3.46Å; L335-N338 PolarHBondContact O-N 3.32Å; F336-N338 VanDerWaalsContact C-N 3.33Å; F336-N338 PolarHBondContact O-N 3.37Å; N338-A341 PolarHBondContact O-N 2.77Å; N338-C342 WeakPolarHBondContact O-CB 3.34Å; N338-C342 PolarHBondContact O-N 3.38Å
339	V	90.7	Very high	89.2	Confident	24 Å²	24	94.3 Å²	94.3	15%	0.145	48%	0.483	C	S	.	.	H	α-helix	trans	-61.5	-51.6	175.2	175.6	0	0	0	0	109.8	F319 V320 L335 F336 A341 C342 F343	F319-V339 HydrophobicContact CE1-CG2 3.92Å; V320-V339 HydrophobicContact CG2-CG1 3.58Å; L335-V339 WeakPolarHBondContact O-CG2 3.44Å; L335-V339 PolarHBondContact O-N 2.81Å; F336-V339 PolarHBondContact O-N 3.18Å; V339-A341 VanDerWaalsContact C-N 3.34Å; V339-A341 PolarHBondContact O-N 2.78Å; V339-C342 WeakPolarHBondContact O-CB 3.17Å; V339-C342 PolarHBondContact O-N 2.99Å; V339-C342 VanDerWaalsContact O-N 3.09Å; V339-F343 HydrophobicContact CG1-CD2 3.8Å; V339-F343 HydrophobicContact CG1-CE2 3.84Å; V339-F343 WeakPolarHBondContact O-CD2 3.3Å; V339-F343 PolarHBondContact O-N 2.76Å
340	L	90.7	Very high	88.9	Confident	92 Å²	92	95.5 Å²	95.5	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-57.6	-44.7	177.8	-77.2	-178.5	0	0	0	112.7	F336 C342 F343 D344	F336-L340 HydrophobicContact CD1-CD1 3.88Å; F336-L340 HydrophobicContact CD2-CG 4.47Å; F336-L340 HydrophobicContact CE1-CD1 3.32Å; F336-L340 HydrophobicContact CE1-CG 4.2Å; F336-L340 HydrophobicContact CE2-CD1 4.07Å; F336-L340 HydrophobicContact CE2-CD2 4.43Å; F336-L340 HydrophobicContact CE2-CG 4.11Å; F336-L340 HydrophobicContact CG-CD1 4.47Å; F336-L340 HydrophobicContact CZ-CD1 3.44Å; F336-L340 VanDerWaalsContact CZ-CD1 3.44Å; F336-L340 HydrophobicContact CZ-CD2 4.35Å; F336-L340 HydrophobicContact CZ-CG 3.98Å; F336-L340 PolarHBondContact O-N 3.17Å; L340-C342 VanDerWaalsContact C-N 3.28Å; L340-C342 PolarHBondContact O-N 2.9Å; L340-F343 PolarHBondContact O-N 3.18Å; L340-D344 VanDerWaalsContact O-CB 3.3Å; L340-D344 WeakPolarHBondContact O-CB 3.44Å; L340-D344 PolarHBondContact O-N 3.43Å
341	A	92	Very high	88.6	Confident	58 Å²	58	94 Å²	94	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-36.2	177.3	0	0	0	0	0	112.5	K337 N338 V339 K345	K337-A341 WeakPolarHBondContact O-CB 3.24Å; K337-A341 PolarHBondContact O-N 3.43Å; N338-A341 PolarHBondContact O-N 2.77Å; V339-A341 VanDerWaalsContact C-N 3.34Å; V339-A341 PolarHBondContact O-N 2.78Å; A341-K345 WeakPolarHBondContact O-CB 3.34Å; A341-K345 PolarHBondContact O-N 3.08Å
342	C	91.8	Very high	88.1	Confident	39 Å²	39	93.9 Å²	93.9	26%	0.264	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-49.7	175.8	-171.7	0	0	0	0	111.7	N338 V339 L340 D344 K345 L346	N338-C342 WeakPolarHBondContact O-CB 3.34Å; N338-C342 PolarHBondContact O-N 3.38Å; V339-C342 WeakPolarHBondContact O-CB 3.17Å; V339-C342 PolarHBondContact O-N 2.99Å; V339-C342 VanDerWaalsContact O-N 3.09Å; L340-C342 VanDerWaalsContact C-N 3.28Å; L340-C342 PolarHBondContact O-N 2.9Å; C342-D344 PolarHBondContact O-N 3.04Å; C342-K345 PolarHBondContact O-N 3.45Å; C342-L346 WeakPolarHBondContact O-CG 3.07Å; C342-L346 PolarHBondContact O-N 3.31Å
343	F	92.6	Very high	87.2	Confident	68 Å²	68	98.1 Å²	98.1	30%	0.298	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-37.6	177.7	-83	-89.7	0	0	0	112.4	A316 V320 V339 L340 K345 L346 S347	A316-F343 HydrophobicContact CB-CE1 4.45Å; A316-F343 HydrophobicContact CB-CE2 4.04Å; A316-F343 HydrophobicContact CB-CZ 3.85Å; A316-F343 WeakPolarHBondContact O-CZ 3.45Å; V320-F343 HydrophobicContact CB-CE2 4.5Å; V320-F343 HydrophobicContact CB-CZ 4.42Å; V320-F343 HydrophobicContact CG2-CD2 4.44Å; V320-F343 HydrophobicContact CG2-CE2 3.36Å; V320-F343 HydrophobicContact CG2-CZ 3.7Å; V339-F343 HydrophobicContact CG1-CD2 3.8Å; V339-F343 HydrophobicContact CG1-CE2 3.84Å; V339-F343 WeakPolarHBondContact O-CD2 3.3Å; V339-F343 PolarHBondContact O-N 2.76Å; L340-F343 PolarHBondContact O-N 3.18Å; F343-K345 VanDerWaalsContact C-N 3.34Å; F343-K345 PolarHBondContact O-N 2.93Å; F343-L346 PolarHBondContact O-N 2.95Å; F343-S347 VanDerWaalsContact O-CB 3.25Å; F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 3.21Å; F343-S347 PolarHBondContact O-OG 3.06Å
344	D	92.4	Very high	86	Confident	78 Å²	78	99.1 Å²	99.1	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-42.4	173.6	-177.3	68.5	0	0	0	111.1	L340 C342 S347 K348	L340-D344 VanDerWaalsContact O-CB 3.3Å; L340-D344 WeakPolarHBondContact O-CB 3.44Å; L340-D344 PolarHBondContact O-N 3.43Å; C342-D344 PolarHBondContact O-N 3.04Å; D344-S347 WeakPolarHBondContact CA-OG 3.42Å; D344-S347 PolarHBondContact O-OG 3.14Å; D344-K348 WeakPolarHBondContact O-CB 3.28Å; D344-K348 VanDerWaalsContact O-CG 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.28Å; D344-K348 PolarHBondContact O-N 2.81Å; D344-K348 WeakPolarHBondContact OD1-CE 3.46Å; D344-K348 IonicContact OD1-NZ 2.71Å; D344-K348 PolarHBondContact OD1-NZ 2.69Å; D344-K348 WeakPolarHBondContact OD2-CE 3.34Å; D344-K348 IonicContact OD2-NZ 2.68Å; D344-K348 PolarHBondContact OD2-NZ 3.34Å
345	K	92.5	Very high	84.5	Confident	154 Å²	154	97.3 Å²	97.3	67%	0.67	51%	0.512	S	S	*	.	H	α-helix	trans	-65.7	-43.4	176	-175.3	177.5	-179.7	-178.7	0	112.8	A341 C342 F343	A341-K345 WeakPolarHBondContact O-CB 3.34Å; A341-K345 PolarHBondContact O-N 3.08Å; C342-K345 PolarHBondContact O-N 3.45Å; F343-K345 VanDerWaalsContact C-N 3.34Å; F343-K345 PolarHBondContact O-N 2.93Å
346	L	91.3	Very high	83.2	Confident	20 Å²	20	97.7 Å²	97.7	11%	0.105	52%	0.521	C	S	.	.	H	α-helix	trans	-68.4	-41.9	179.7	-71.9	172.2	0	0	0	111.8	T309 H312 V313 A316 C342 F343 K348 Q349	T309-L346 HydrophobicContact CG2-CD2 4.48Å; H312-L346 HydrophobicContact CB-CD2 4.46Å; V313-L346 HydrophobicContact CG2-CB 4.24Å; V313-L346 HydrophobicContact CG2-CD1 4.11Å; V313-L346 HydrophobicContact CG2-CD2 4.07Å; V313-L346 HydrophobicContact CG2-CG 4.37Å; A316-L346 HydrophobicContact CB-CD1 3.99Å; C342-L346 WeakPolarHBondContact O-CG 3.07Å; C342-L346 PolarHBondContact O-N 3.31Å; F343-L346 PolarHBondContact O-N 2.95Å; L346-K348 VanDerWaalsContact C-N 3.27Å; L346-K348 PolarHBondContact O-N 2.95Å; L346-Q349 PolarHBondContact O-N 2.88Å
347	S	88.3	Confident	82.1	Confident	93 Å²	93	95 Å²	95	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-67.8	-24.3	179.2	60.2	0	0	0	0	113.8	F343 D344	F343-S347 VanDerWaalsContact O-CB 3.25Å; F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 3.21Å; F343-S347 PolarHBondContact O-OG 3.06Å; D344-S347 WeakPolarHBondContact CA-OG 3.42Å; D344-S347 PolarHBondContact O-OG 3.14Å
348	K	90.1	Very high	81.3	Confident	137 Å²	137	95.5 Å²	95.5	60%	0.596	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.2	175.3	-72.1	172.5	-178.6	164.9	0	114.3	D344 L346 Q350	D344-K348 WeakPolarHBondContact O-CB 3.28Å; D344-K348 VanDerWaalsContact O-CG 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.28Å; D344-K348 PolarHBondContact O-N 2.81Å; D344-K348 WeakPolarHBondContact OD1-CE 3.46Å; D344-K348 IonicContact OD1-NZ 2.71Å; D344-K348 PolarHBondContact OD1-NZ 2.69Å; D344-K348 WeakPolarHBondContact OD2-CE 3.34Å; D344-K348 IonicContact OD2-NZ 2.68Å; D344-K348 PolarHBondContact OD2-NZ 3.34Å; L346-K348 VanDerWaalsContact C-N 3.27Å; L346-K348 PolarHBondContact O-N 2.95Å; K348-Q350 PolarHBondContact O-N 3.33Å
349	Q	85.4	Confident	80.8	Confident	101 Å²	101	92.7 Å²	92.7	47%	0.472	51%	0.514	S	S	.	.			trans	-69.1	123.8	176.4	-71	-140	-5.2	0	0	111.2	T309 L346	T309-Q349 HydrophobicContact CG2-CG 4.48Å; T309-Q349 PolarHBondContact OG1-OE1 3.49Å; L346-Q349 PolarHBondContact O-N 2.88Å
350	Q	79.7	Confident	80.5	Confident	162 Å²	162	97.2 Å²	97.2	76%	0.757	54%	0.542	S	S	*	.			trans	-90.7	131.5	176.6	-70.1	-174.3	-8.8	0	0	111.7	K348 V352	K348-Q350 PolarHBondContact O-N 3.33Å; Q350-V352 PolarHBondContact O-N 3.46Å
351	V	80.5	Confident	80.4	Confident	95 Å²	95	99.6 Å²	99.6	58%	0.576	55%	0.548	S	S	*	.			trans	-88.7	99	167.8	-176.8	0	0	0	0	108	M306 N353	M306-V351 HydrophobicContact CE-CG1 3.94Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.35Å
352	V	72.9	Confident	80	Confident	92 Å²	92	101.7 Å²	101.7	56%	0.558	56%	0.559	S	S	*	*			trans	-88.7	107.2	169.8	-175.3	0	0	0	0	107.5	Q350	Q350-V352 PolarHBondContact O-N 3.46Å
353	N	68.8	Low	79.5	Confident	123 Å²	123	104.9 Å²	104.9	66%	0.658	58%	0.58	S	S	*	*			trans	-92.2	119	168	-67	-25.9	0	0	0	107.4	V351 P355	V351-N353 WeakPolarHBondContact CG1-OD1 3.35Å; N353-P355 WeakPolarHBondContact O-CD 3.08Å
354	D	62.5	Low	78.7	Confident	122 Å²	122	105.2 Å²	105.2	65%	0.652	60%	0.602	S	S	*	*			trans	-102.3	95.7	166.9	-166.7	-12.4	0	0	0	108.4	S356	D354-S356 PolarHBondContact O-N 2.9Å; D354-S356 VanDerWaalsContact O-N 3.13Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.84Å; D354-S356 PolarHBondContact OD1-OG 2.85Å
355	P	55.4	Low	77.9	Confident	121 Å²	121	109.1 Å²	109.1	79%	0.786	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	10.3	-177	29.3	-33.7	0	0	0	113.8	N353	N353-P355 WeakPolarHBondContact O-CD 3.08Å
356	S	61	Low	77.1	Confident	84 Å²	84	104.9 Å²	104.9	59%	0.587	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	1.7	-166.4	72.3	0	0	0	0	116.8	D354 K358	D354-S356 PolarHBondContact O-N 2.9Å; D354-S356 VanDerWaalsContact O-N 3.13Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.84Å; D354-S356 PolarHBondContact OD1-OG 2.85Å; S356-K358 PolarHBondContact O-N 3.08Å
357	A	65.4	Low	76.4	Confident	62 Å²	62	107.1 Å²	107.1	51%	0.512	63%	0.633	S	S	.	*			trans	-71.3	85.2	179.3	0	0	0	0	0	112.2	L295	L295-A357 HydrophobicContact CD2-CB 4.26Å
358	K	74.8	Confident	75.9	Confident	178 Å²	178	110.4 Å²	110.4	77%	0.774	63%	0.633	S	S	*	*			trans	-122.4	116.6	171.8	-68.8	-175.2	-179.9	-179.7	0	110.1	S356	S356-K358 PolarHBondContact O-N 3.08Å
359	A	77.8	Confident	75.3	Confident	44 Å²	44	108.3 Å²	108.3	36%	0.364	63%	0.628	S	S	.	*			trans	-83.3	124.7	166.3	0	0	0	0	0	108.9	I291 L295	I291-A359 HydrophobicContact CG2-CB 4Å; L295-A359 HydrophobicContact CD1-CB 4.49Å
360	V	85.1	Confident	75	Confident	119 Å²	119	107 Å²	107	72%	0.721	63%	0.627	S	S	*	*			trans	-128.1	130.3	179	-177.6	0	0	0	0	109
361	F	89	Confident	75.2	Confident	142 Å²	142	102.2 Å²	102.2	62%	0.623	61%	0.606	S	S	*	*			trans	-87.7	120.4	173.1	176.5	-98.5	0	0	0	110	F284 P363	F284-F361 HydrophobicContact CD1-CD2 4.45Å; F284-F361 AromaticContact CD1-CE2 3.94Å; F284-F361 HydrophobicContact CD1-CE2 3.94Å; F284-F361 HydrophobicContact CE1-CE2 4.25Å; F284-F361 HydrophobicContact CG-CE2 4.35Å; F361-P363 HydrophobicContact CE1-CB 4.33Å
362	S	83.2	Confident	75.1	Confident	101 Å²	101	103.9 Å²	103.9	71%	0.706	61%	0.607	S	S	*	*			trans	-102	115.6	175.9	-55.7	0	0	0	0	110
363	P	80	Confident	75.4	Confident	107 Å²	107	106.8 Å²	106.8	70%	0.695	62%	0.615	S	S	*	*			trans	-67.6	149.5	176.3	27.6	-32.9	0	0	0	111.8	F361	F361-P363 HydrophobicContact CE1-CB 4.33Å
364	G	76.4	Confident	76	Confident	74 Å²	74	106.6 Å²	106.6	76%	0.763	61%	0.609	S	S	*	*			trans	-84	-155.9	177.3	0	0	0	0	0	114.1
365	L	76.6	Confident	77.2	Confident	161 Å²	161	104.2 Å²	104.2	84%	0.843	59%	0.593	S	S	*	*	S	Bend	trans	-57.6	163.8	177.6	-69.6	163.5	0	0	0	113.3	A367	L365-A367 PolarHBondContact O-N 3.03Å
366	S	75.3	Confident	78.6	Confident	64 Å²	64	101.3 Å²	101.3	45%	0.448	59%	0.585	S	S	.	*			trans	-55.5	120.1	176.9	43.3	0	0	0	0	111.5	Y368 D369	S366-Y368 PolarHBondContact O-N 3.41Å; S366-D369 WeakPolarHBondContact CB-OD2 3.49Å; S366-D369 PolarHBondContact OG-OD2 3.28Å
367	A	77.2	Confident	79.7	Confident	68 Å²	68	103.6 Å²	103.6	56%	0.562	60%	0.596	S	S	*	*	H	α-helix	trans	-61.8	-33	-179	0	0	0	0	0	112.8	L365 I371	L365-A367 PolarHBondContact O-N 3.03Å; A367-I371 HydrophobicContact CB-CD1 4.35Å; A367-I371 WeakPolarHBondContact O-CD1 3.41Å; A367-I371 WeakPolarHBondContact O-CG1 3.34Å; A367-I371 PolarHBondContact O-N 2.89Å; A367-I371 VanDerWaalsContact O-N 3.14Å
368	Y	76.5	Confident	80.7	Confident	161 Å²	161	107 Å²	107	63%	0.631	60%	0.6	S	S	*	*	H	α-helix	trans	-62.4	-48.8	-174.5	-177.2	-95.4	0	0	0	112.8	S366 V370 I371 H372	S366-Y368 PolarHBondContact O-N 3.41Å; Y368-V370 VanDerWaalsContact C-N 3.33Å; Y368-V370 PolarHBondContact O-N 3.1Å; Y368-I371 PolarHBondContact O-N 2.8Å; Y368-H372 HydrophobicContact CE1-CB 4.33Å; Y368-H372 WeakPolarHBondContact O-CB 3.43Å; Y368-H372 PolarHBondContact O-N 2.86Å
369	D	77.9	Confident	80.6	Confident	93 Å²	93	103.7 Å²	103.7	50%	0.497	60%	0.599	S	S	.	*	H	α-helix	trans	-64.3	-41	-173.9	-58.1	-42.4	0	0	0	111.4	S366 Q373	S366-D369 WeakPolarHBondContact CB-OD2 3.49Å; S366-D369 PolarHBondContact OG-OD2 3.28Å; D369-Q373 WeakPolarHBondContact O-CB 3.31Å; D369-Q373 PolarHBondContact O-N 2.87Å
370	V	80.1	Confident	80.5	Confident	75 Å²	75	107 Å²	107	46%	0.455	61%	0.605	S	S	.	*	H	α-helix	trans	-65.1	-43.9	177.5	-177.9	0	0	0	0	111	Y368 H374	Y368-V370 VanDerWaalsContact C-N 3.33Å; Y368-V370 PolarHBondContact O-N 3.1Å; V370-H374 PolarHBondContact O-N 3.41Å; V370-H374 PolarHBondContact O-ND1 3.07Å
371	I	81.9	Confident	79.2	Confident	60 Å²	60	108 Å²	108	31%	0.308	61%	0.611	S	S	.	*	H	α-helix	trans	-66.3	-49.7	180	-66.7	165.2	0	0	0	110	W273 A367 Y368 Q373 H374 F375	W273-I371 HydrophobicContact CE3-CG1 4.15Å; W273-I371 HydrophobicContact CE3-CG2 4.5Å; W273-I371 HydrophobicContact CZ3-CB 4.28Å; W273-I371 HydrophobicContact CZ3-CG1 3.66Å; W273-I371 HydrophobicContact CZ3-CG2 4.34Å; A367-I371 HydrophobicContact CB-CD1 4.35Å; A367-I371 WeakPolarHBondContact O-CD1 3.41Å; A367-I371 WeakPolarHBondContact O-CG1 3.34Å; A367-I371 PolarHBondContact O-N 2.89Å; A367-I371 VanDerWaalsContact O-N 3.14Å; Y368-I371 PolarHBondContact O-N 2.8Å; I371-Q373 VanDerWaalsContact C-N 3.28Å; I371-Q373 PolarHBondContact O-N 3.37Å; I371-H374 PolarHBondContact O-N 2.75Å; I371-H374 VanDerWaalsContact O-N 3.12Å; I371-F375 HydrophobicContact CG2-CB 4.49Å; I371-F375 HydrophobicContact CG2-CD2 4.48Å; I371-F375 VanDerWaalsContact O-CB 3.26Å; I371-F375 WeakPolarHBondContact O-CB 3.41Å; I371-F375 PolarHBondContact O-N 3.24Å
372	H	79.4	Confident	77.5	Confident	131 Å²	131	107.1 Å²	107.1	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-58.6	-40.6	-176.4	-174.6	-88.5	0	0	0	112.1	Y368 H374	Y368-H372 HydrophobicContact CE1-CB 4.33Å; Y368-H372 WeakPolarHBondContact O-CB 3.43Å; Y368-H372 PolarHBondContact O-N 2.86Å; H372-H374 VanDerWaalsContact C-N 3.34Å; H372-H374 PolarHBondContact O-N 3.18Å
373	Q	78.6	Confident	75.6	Confident	153 Å²	153	105.8 Å²	105.8	72%	0.715	62%	0.616	S	S	*	*	H	α-helix	trans	-69.6	-27.6	179.9	-170.3	177.6	16.5	0	0	113.6	D369 I371	D369-Q373 WeakPolarHBondContact O-CB 3.31Å; D369-Q373 PolarHBondContact O-N 2.87Å; I371-Q373 VanDerWaalsContact C-N 3.28Å; I371-Q373 PolarHBondContact O-N 3.37Å
374	H	82.8	Confident	74	Confident	119 Å²	119	104.5 Å²	104.5	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-114.8	0.1	-170.4	-62.3	85.1	0	0	0	114.5	W273 V370 I371 H372	W273-H374 HydrophobicContact CH2-CB 4.14Å; W273-H374 HydrophobicContact CZ2-CB 4.22Å; V370-H374 PolarHBondContact O-N 3.41Å; V370-H374 PolarHBondContact O-ND1 3.07Å; I371-H374 PolarHBondContact O-N 2.75Å; I371-H374 VanDerWaalsContact O-N 3.12Å; H372-H374 VanDerWaalsContact C-N 3.34Å; H372-H374 PolarHBondContact O-N 3.18Å
375	F	86.1	Confident	72.5	Confident	72 Å²	72	108.3 Å²	108.3	32%	0.316	60%	0.601	S	S	.	*	S	Bend	trans	-75.9	-40.2	-174.4	-169.7	-105.3	0	0	0	113.4	I266 T269 C270 W273 I371	I266-F375 HydrophobicContact CG2-CE1 4.27Å; T269-F375 HydrophobicContact CG2-CD2 4.49Å; T269-F375 HydrophobicContact CG2-CE2 4.1Å; T269-F375 HydrophobicContact CG2-CZ 4.4Å; C270-F375 HydrophobicContact CB-CE2 4.39Å; C270-F375 HydrophobicContact CB-CZ 4.01Å; W273-F375 HydrophobicContact CD2-CD2 4.44Å; W273-F375 HydrophobicContact CG-CD2 4.42Å; W273-F375 HydrophobicContact CG-CE2 4.41Å; I371-F375 HydrophobicContact CG2-CB 4.49Å; I371-F375 HydrophobicContact CG2-CD2 4.48Å; I371-F375 VanDerWaalsContact O-CB 3.26Å; I371-F375 WeakPolarHBondContact O-CB 3.41Å; I371-F375 PolarHBondContact O-N 3.24Å
376	G	84.7	Confident	71	Confident	60 Å²	60	108.7 Å²	108.7	62%	0.619	60%	0.598	S	S	*	*			trans	152	163.9	176.2	0	0	0	0	0	114
377	T	85.9	Confident	69.3	Low	131 Å²	131	109.8 Å²	109.8	80%	0.804	60%	0.599	S	S	*	*			trans	-137.3	160.6	177.5	58.4	0	0	0	0	110.5
378	F	84.7	Confident	67.7	Low	135 Å²	135	112 Å²	112	59%	0.592	60%	0.601	S	S	*	*			trans	-89.1	143.6	169.3	-64.6	-75.7	0	0	0	109.6	I266 F380	I266-F378 HydrophobicContact CD1-CZ 4.15Å; F378-F380 HydrophobicContact CB-CE2 4.37Å; F378-F380 HydrophobicContact CB-CZ 4.37Å
379	S	73.9	Confident	65.8	Low	108 Å²	108	113 Å²	113	76%	0.755	61%	0.611	S	S	*	*			trans	-127.3	131	172.8	-57	0	0	0	0	108.9
380	F	74.7	Confident	63.9	Low	112 Å²	112	115.4 Å²	115.4	49%	0.491	62%	0.619	S	S	.	*			trans	-102.5	133.7	179.8	-58.5	-83.4	0	0	0	109.4	F378 N382 E385 L388	F378-F380 HydrophobicContact CB-CE2 4.37Å; F378-F380 HydrophobicContact CB-CZ 4.37Å; F380-N382 PolarHBondContact O-N 3.12Å; F380-E385 HydrophobicContact CD2-CG 4.36Å; F380-L388 HydrophobicContact CZ-CD1 4.3Å
381	T	59.3	Low	61.7	Low	140 Å²	140	117 Å²	117	86%	0.859	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-19.2	-177.5	53	0	0	0	0	113.3
382	N	52.3	Low	59.3	Low	125 Å²	125	119 Å²	119	67%	0.668	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	58.7	-169.5	-66	3.1	0	0	0	112.5	F380 L384	F380-N382 PolarHBondContact O-N 3.12Å; N382-L384 WeakPolarHBondContact O-CA 3.38Å; N382-L384 WeakPolarHBondContact O-CB 3.39Å; N382-L384 PolarHBondContact O-N 2.91Å
383	G	43.8	Very low	57	Low	73 Å²	73	119.4 Å²	119.4	75%	0.753	66%	0.655	S	S	*	*			trans	52.8	12.9	162.8	0	0	0	0	0	118	E385	G383-E385 PolarHBondContact O-N 3.44Å
384	L	46.8	Very low	54.7	Low	80 Å²	80	116.7 Å²	116.7	42%	0.419	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	24.5	-164.1	-128.4	132.4	0	0	0	112.7	N382 Q386 D387	N382-L384 WeakPolarHBondContact O-CA 3.38Å; N382-L384 WeakPolarHBondContact O-CB 3.39Å; N382-L384 PolarHBondContact O-N 2.91Å; L384-Q386 VanDerWaalsContact C-N 3.26Å; L384-D387 HydrophobicContact CD2-CB 4.29Å
385	E	44.3	Very low	52.1	Low	154 Å²	154	119.1 Å²	119.1	72%	0.72	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-23	174.5	-73.7	-174.4	163.7	0	0	111.8	F380 G383	F380-E385 HydrophobicContact CD2-CG 4.36Å; G383-E385 PolarHBondContact O-N 3.44Å
386	Q	44.1	Very low	49.3	Very low	168 Å²	168	124.1 Å²	124.1	79%	0.785	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-19.1	-177.1	-73.1	-175.6	-12.5	0	0	115.4	L384	L384-Q386 VanDerWaalsContact C-N 3.26Å
387	D	40.9	Very low	46.5	Very low	88 Å²	88	129.3 Å²	129.3	47%	0.471	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-13.9	-173.1	-71.1	-24.8	0	0	0	115.1	L384 Q389 Q390 V391	L384-D387 HydrophobicContact CD2-CB 4.29Å; D387-Q389 PolarHBondContact O-N 3.4Å; D387-Q389 VanDerWaalsContact O-N 3.08Å; D387-Q390 PolarHBondContact O-N 2.86Å; D387-V391 VanDerWaalsContact O-CG2 3.3Å; D387-V391 WeakPolarHBondContact O-CG2 3.38Å; D387-V391 PolarHBondContact O-N 3.39Å
388	L	43.1	Very low	43.6	Very low	114 Å²	114	126.7 Å²	126.7	60%	0.597	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-14.9	176.8	-83.3	162.1	0	0	0	113.6	F380	F380-L388 HydrophobicContact CZ-CD1 4.3Å
389	Q	37.5	Very low	40.8	Very low	181 Å²	181	130 Å²	130	85%	0.846	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-7.1	171.6	-78.6	176.9	-12.4	0	0	114.2	D387	D387-Q389 PolarHBondContact O-N 3.4Å; D387-Q389 VanDerWaalsContact O-N 3.08Å
390	Q	36.6	Very low	38.5	Very low	144 Å²	144	130.5 Å²	130.5	67%	0.673	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-5.5	178.7	-84.9	-173.9	-15.7	0	0	115.5	D387 S392 N393	D387-Q390 PolarHBondContact O-N 2.86Å; Q390-S392 PolarHBondContact O-N 3.39Å; Q390-N393 PolarHBondContact O-N 2.88Å
391	V	35	Very low	36.1	Very low	110 Å²	110	129.6 Å²	129.6	67%	0.667	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-2.6	-178	-168.7	0	0	0	0	114	D387	D387-V391 VanDerWaalsContact O-CG2 3.3Å; D387-V391 WeakPolarHBondContact O-CG2 3.38Å; D387-V391 PolarHBondContact O-N 3.39Å
392	S	30.9	Very low	34.5	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-8.9	171.7	35.8	0	0	0	0	115	Q390	Q390-S392 PolarHBondContact O-N 3.39Å
393	N	32	Very low	33.3	Very low	141 Å²	141	129 Å²	129	75%	0.754	73%	0.732	S	S	*	*	S	Bend	trans	-149.5	86.7	177.5	-80.9	-37.2	0	0	0	111.1	Q390	Q390-N393 PolarHBondContact O-N 2.88Å
394	S	28.5	Very low	32.7	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	73%	0.728	S	S	*	*			trans	171.3	81.4	153.5	-78.2	0	0	0	0	111
395	L	28.6	Very low	31.8	Very low	169 Å²	169	135.1 Å²	135.1	89%	0.885	75%	0.747	S	S	*	*	S	Bend	trans	-125.3	16.5	165.5	-93.6	164.2	0	0	0	113
396	L	28.1	Very low	31.1	Very low	178 Å²	178	134 Å²	134	93%	0.932	75%	0.745	S	S	*	*			trans	-137.6	64.2	167.1	-90.2	112	0	0	0	110.2
397	E	24.6	Very low	30.3	Very low	169 Å²	169	130.2 Å²	130.2	79%	0.79	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-96.8	124.3	153.1	-83.1	-168.4	155.3	0	0	108.3
398	G	24.9	Very low	29.7	Very low	75 Å²	75	131.8 Å²	131.8	77%	0.773	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.2	132.8	-167.6	0	0	0	0	0	113.4
399	F	26.7	Very low	28.9	Very low	204 Å²	204	133.3 Å²	133.3	90%	0.895	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.1	140	161.8	-75.6	-86.9	0	0	0	109.9
400	P	25.5	Very low	28.4	Very low	120 Å²	120	130 Å²	130	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.6	-173.4	24.9	-32	0	0	0	111.2
401	A	25.2	Very low	27.9	Very low	92 Å²	92	128.4 Å²	128.4	76%	0.76	76%	0.764	S	S	*	*			trans	-41.3	130.6	-172.4	0	0	0	0	0	113.9
402	P	25.7	Very low	27.6	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	77%	0.769	S	S	*	*			trans	-68.3	145.9	168.1	29.9	-31.5	0	0	0	109.5
403	N	25.5	Very low	27.5	Very low	135 Å²	135	127.3 Å²	127.3	72%	0.722	77%	0.765	S	S	*	*			trans	-23.1	134.4	179.2	-101.1	-27.9	0	0	0	115.8	H405 I406	N403-H405 PolarHBondContact O-N 2.82Å; N403-I406 PolarHBondContact O-N 3.08Å
404	P	33.1	Very low	27.3	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	7.7	-171.8	27	-34.1	0	0	0	115.7
405	H	26.9	Very low	27.4	Very low	175 Å²	175	128.1 Å²	128.1	81%	0.81	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9	177.5	-78.6	-70.2	0	0	0	114.9	N403	N403-H405 PolarHBondContact O-N 2.82Å
406	I	30.4	Very low	27.5	Very low	131 Å²	131	124.4 Å²	124.4	67%	0.672	75%	0.746	S	S	*	*	S	Bend	trans	-118	3.9	-177.4	-56.3	178.8	0	0	0	112.7	N403 V408	N403-I406 PolarHBondContact O-N 3.08Å; I406-V408 VanDerWaalsContact C-N 3.28Å; I406-V408 PolarHBondContact O-N 3.29Å
407	A	27.6	Very low	27.7	Very low	88 Å²	88	122 Å²	122	73%	0.727	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	8.6	-179	0	0	0	0	0	115.4
408	V	26.8	Very low	28	Very low	122 Å²	122	119.7 Å²	119.7	74%	0.739	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-1.6	-175.8	-177.1	0	0	0	0	113.3	I406 S410	I406-V408 VanDerWaalsContact C-N 3.28Å; I406-V408 PolarHBondContact O-N 3.29Å; V408-S410 PolarHBondContact O-N 3.48Å
409	L	26.8	Very low	28.1	Very low	145 Å²	145	122 Å²	122	76%	0.759	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	13.3	-169.6	-85.2	162.5	0	0	0	117.3
410	S	27.5	Very low	28.2	Very low	111 Å²	111	121 Å²	121	78%	0.776	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.6	62.1	169	66.4	0	0	0	0	113.1	V408 V412	V408-S410 PolarHBondContact O-N 3.48Å; S410-V412 VanDerWaalsContact C-N 3.32Å; S410-V412 PolarHBondContact O-N 2.82Å; S410-V412 VanDerWaalsContact O-N 3.13Å
411	S	25.9	Very low	28.3	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	72%	0.717	S	S	*	*			trans	-80.8	75.3	168.2	60.4	0	0	0	0	110.9
412	V	28.8	Very low	28.2	Very low	127 Å²	127	125.4 Å²	125.4	77%	0.77	71%	0.714	S	S	*	*	S	Bend	trans	-142	85.2	159.9	-167.6	0	0	0	0	109.2	S410	S410-V412 VanDerWaalsContact C-N 3.32Å; S410-V412 PolarHBondContact O-N 2.82Å; S410-V412 VanDerWaalsContact O-N 3.13Å
413	G	27.7	Very low	28.2	Very low	61 Å²	61	125.4 Å²	125.4	63%	0.629	71%	0.712	S	S	*	*			trans	66.2	78.6	152.8	0	0	0	0	0	118.3	I415	G413-I415 VanDerWaalsContact C-N 3.28Å; G413-I415 PolarHBondContact O-N 3.01Å
414	D	28.5	Very low	28	Very low	137 Å²	137	126.3 Å²	126.3	73%	0.733	72%	0.716	S	S	*	*			trans	-68.3	84.2	156.7	-103.3	-34.2	0	0	0	109.9	T416	D414-T416 PolarHBondContact O-N 3.49Å; D414-T416 PolarHBondContact OD1-OG1 3.3Å
415	I	30.2	Very low	27.4	Very low	116 Å²	116	129.3 Å²	129.3	60%	0.595	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	1.9	173.5	-57.3	169.6	0	0	0	110.7	G413 N417 D418	G413-I415 VanDerWaalsContact C-N 3.28Å; G413-I415 PolarHBondContact O-N 3.01Å; I415-N417 VanDerWaalsContact C-N 3.33Å; I415-N417 PolarHBondContact O-N 3.44Å; I415-D418 PolarHBondContact O-N 2.82Å
416	T	30.7	Very low	27.3	Very low	92 Å²	92	127.6 Å²	127.6	56%	0.564	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-24.7	-179.7	51.7	0	0	0	0	113.3	D414	D414-T416 PolarHBondContact O-N 3.49Å; D414-T416 PolarHBondContact OD1-OG1 3.3Å
417	N	33.5	Very low	26.8	Very low	126 Å²	126	128 Å²	128	67%	0.674	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-22.7	176.4	-85.9	-22.7	0	0	0	114	I415	I415-N417 VanDerWaalsContact C-N 3.33Å; I415-N417 PolarHBondContact O-N 3.44Å
418	D	30.4	Very low	26.6	Very low	121 Å²	121	127.1 Å²	127.1	65%	0.647	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-18.7	179.5	-74.8	-15.5	0	0	0	113	I415	I415-D418 PolarHBondContact O-N 2.82Å
419	L	26.5	Very low	26.2	Very low	124 Å²	124	129.1 Å²	129.1	65%	0.649	72%	0.724	S	S	*	*	S	Bend	trans	-87.8	-9.4	-178.3	-87.4	155.6	0	0	0	114.9
420	K	29.9	Very low	26	Very low	183 Å²	183	130.9 Å²	130.9	80%	0.796	73%	0.731	S	S	*	*	S	Bend	trans	-94.9	-5.5	175	-78.4	-175.3	177.2	177.5	0	114.5
421	Q	27.6	Very low	25.7	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.813	73%	0.729	S	S	*	*	S	Bend	trans	-94.6	2.2	174.4	-78.8	-166.2	1.9	0	0	114.7	T423	Q421-T423 PolarHBondContact O-N 2.96Å; Q421-T423 VanDerWaalsContact O-N 3.13Å
422	L	22.3	Very low	26.1	Very low	130 Å²	130	132.3 Å²	132.3	68%	0.681	73%	0.727	S	S	*	*			trans	-88.8	60.6	171.8	-77.1	157.3	0	0	0	111.2	L424	L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 2.88Å
423	T	25.7	Very low	25.6	Very low	120 Å²	120	133.5 Å²	133.5	74%	0.736	73%	0.729	S	S	*	*			trans	-73	92.1	161.9	-54.1	0	0	0	0	107.5	Q421 K425	Q421-T423 PolarHBondContact O-N 2.96Å; Q421-T423 VanDerWaalsContact O-N 3.13Å; T423-K425 VanDerWaalsContact C-N 3.32Å; T423-K425 PolarHBondContact O-N 3.09Å
424	L	22.4	Very low	25.4	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	74%	0.735	S	S	*	*			trans	-64.5	95.5	168.6	-85.8	159.6	0	0	0	108.9	L422 V426	L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 2.88Å; L424-V426 PolarHBondContact O-N 3.3Å
425	K	20	Very low	25	Very low	169 Å²	169	137.5 Å²	137.5	74%	0.735	74%	0.741	S	S	*	*			trans	-51.9	117.9	154.9	-76.7	178.9	171.1	-176.7	0	108.5	T423	T423-K425 VanDerWaalsContact C-N 3.32Å; T423-K425 PolarHBondContact O-N 3.09Å
426	V	24.4	Very low	24.7	Very low	139 Å²	139	138 Å²	138	84%	0.842	76%	0.755	S	S	*	*			trans	-113.7	99.2	153.4	179.6	0	0	0	0	105.8	L424	L424-V426 PolarHBondContact O-N 3.3Å
427	D	20.2	Very low	24.2	Very low	138 Å²	138	136.7 Å²	136.7	74%	0.738	76%	0.76	S	S	*	*			trans	-64.1	148.3	169.5	-67.9	-56.1	0	0	0	111.1
428	G	22.3	Very low	23.7	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	77%	0.768	S	S	*	*			trans	155.3	67.7	173.9	0	0	0	0	0	111
429	H	19.9	Very low	23.2	Very low	164 Å²	164	139 Å²	139	76%	0.759	77%	0.771	S	S	*	*				61.5	97.8	80.8	-142.7	-55	0	0	0	112.5
430	M	22.7	Very low	23.1	Very low	182 Å²	182	141.8 Å²	141.8	90%	0.897	78%	0.781	S	S	*	*			trans	-173.2	109.3	139.7	-84.8	-42	171.8	0	0	109.5
431	D	20.3	Very low	22.7	Very low	139 Å²	139	137.8 Å²	137.8	74%	0.743	78%	0.776	S	S	*	*			trans	-66.5	-171.2	164.2	-68	-56.9	0	0	0	112.3
432	P	33.8	Very low	22.4	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	78%	0.775	S	S	*	*				-128.4	-179.6	-61.6	36.9	-20.4	0	0	0	111.9
433	D	19.5	Very low	22.3	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	78%	0.777	S	S	*	*			trans	9.1	138.8	158.9	-77.5	-32.9	0	0	0	120.8
434	P	22	Very low	22.1	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	78%	0.782	S	S	*	*				-144.1	127.9	104.2	33.1	-15.9	0	0	0	115.8
435	L	20.6	Very low	22	Very low	165 Å²	165	136.7 Å²	136.7	86%	0.864	78%	0.78	S	S	*	*				27.6	110.1	124.2	-73.7	153.2	0	0	0	119.2
436	S	24.3	Very low	22	Very low	127 Å²	127	136 Å²	136	89%	0.888	78%	0.784	S	S	*	*			trans	174.9	134.7	133.7	47.1	0	0	0	0	107.4
437	G	19.4	Very low	21.9	Very low	64 Å²	64	135 Å²	135	66%	0.66	78%	0.78	S	S	*	*			cis	128.6	134.4	23.3	0	0	0	0	0	107.5
438	L	24.2	Very low	21.8	Very low	161 Å²	161	133.8 Å²	133.8	84%	0.843	78%	0.78	S	S	*	*			trans	84.7	101.3	176.5	-65.9	103.2	0	0	0	116.4
439	D	19.3	Very low	21.8	Very low	135 Å²	135	137 Å²	137	72%	0.722	79%	0.785	S	S	*	*				81.5	102.2	76.2	-79.7	-32	0	0	0	112.3
440	H	25.1	Very low	21.6	Very low	183 Å²	183	134.4 Å²	134.4	85%	0.847	79%	0.786	S	S	*	*				-167.5	113.6	116.1	-99.8	-61.6	0	0	0	111.8
441	S	21.5	Very low	21.5	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	78%	0.782	S	S	*	*			trans	66.1	99.5	142.7	58.3	0	0	0	0	121.3
442	V	21.5	Very low	21.5	Very low	131 Å²	131	131.2 Å²	131.2	79%	0.794	77%	0.774	S	S	*	*				67	89.3	128.6	-165	0	0	0	0	117.4	V444	V442-V444 PolarHBondContact O-N 2.81Å
443	T	20.1	Very low	20.7	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	77%	0.772	S	S	*	*			trans	-48.4	121.6	151.2	21.8	0	0	0	0	112.4
444	V	21.1	Very low	20.7	Very low	141 Å²	141	132.4 Å²	132.4	86%	0.855	77%	0.765	S	S	*	*			trans	-91.5	97.6	154.6	176.9	0	0	0	0	106.7	V442	V442-V444 PolarHBondContact O-N 2.81Å
445	H	19.9	Very low	20.5	Very low	164 Å²	164	133.8 Å²	133.8	76%	0.759	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-72.5	138.4	166.8	-101.5	-72.1	0	0	0	110.1
446	L	20.3	Very low	20.4	Very low	155 Å²	155	128.6 Å²	128.6	81%	0.812	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.6	156.7	171.1	-107.2	85.8	0	0	0	112.7
447	P	21.2	Very low	20.1	Very low	118 Å²	118	129.9 Å²	129.9	77%	0.766	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-77	145.9	-168.1	33.2	-33.8	0	0	0	112
448	P	19.3	Very low	20.2	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	76%	0.757	S	S	*	*			trans	-117.3	123.7	157.2	33.6	-20.6	0	0	0	110.1
449	V	21.2	Very low	19.9	Very low	137 Å²	137	132.5 Å²	132.5	83%	0.83	76%	0.757	S	S	*	*			trans	-150.5	102.5	145.8	-178	0	0	0	0	108.7	L451	V449-L451 HydrophobicContact CG1-CB 4.48Å
450	S	17.1	Very low	19.8	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	76%	0.759	S	S	*	*			trans	-69.2	139.3	144.2	-66.7	0	0	0	0	108.9
451	L	19.2	Very low	19.9	Very low	156 Å²	156	131.1 Å²	131.1	82%	0.817	75%	0.754	S	S	*	*			trans	154.4	139.6	157.8	-109.4	90.3	0	0	0	106.5	V449	V449-L451 HydrophobicContact CG1-CB 4.48Å
452	V	20.3	Very low	19.8	Very low	97 Å²	97	133.7 Å²	133.7	59%	0.588	76%	0.76	S	S	*	*			cis	-178.1	155.2	8.4	94.4	0	0	0	0	108.3
453	Q	18.1	Very low	19.9	Very low	145 Å²	145	133.2 Å²	133.2	68%	0.678	76%	0.759	S	S	*	*			trans	50.1	138.4	146.5	-70.3	164.2	-35.2	0	0	123.8
454	Q	18.3	Very low	19.9	Very low	145 Å²	145	132.6 Å²	132.6	68%	0.678	76%	0.76	S	S	*	*				92.1	120.1	126.1	-86.3	169.7	-27	0	0	120.7
455	D	18.9	Very low	20	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	76%	0.755	S	S	*	*			trans	94.1	130.4	132.6	-63.6	-21	0	0	0	120.9
456	G	18.7	Very low	20.5	Very low	56 Å²	56	129.7 Å²	129.7	58%	0.577	76%	0.763	S	S	*	*			trans	77.3	106.1	158.1	0	0	0	0	0	114.4
457	T	17.8	Very low	20.5	Very low	153 Å²	153	125.5 Å²	125.5	94%	0.939	76%	0.757	S	S	*	*				36.9	70.1	51.9	62.2	0	0	0	0	114.8
458	C	20.6	Very low	20.5	Very low	104 Å²	104	127.4 Å²	127.4	70%	0.703	76%	0.761	S	S	*	*			trans	-150.8	107.5	155.1	44.6	0	0	0	0	106.3
459	E	18	Very low	20.6	Very low	176 Å²	176	125.8 Å²	125.8	82%	0.822	77%	0.765	S	S	*	*				63	103.6	91.3	-71	-172.6	166.5	0	0	110
460	N	18.1	Very low	20.6	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	76%	0.758	S	S	*	*				61.5	112.9	103	-90.6	-12.6	0	0	0	110.7
461	I	26.3	Very low	20.6	Very low	147 Å²	147	126.6 Å²	126.6	75%	0.754	75%	0.754	S	S	*	*			cis	-156.5	137.4	35.9	-73.6	113.4	0	0	0	107.6
462	N	19.8	Very low	20.6	Very low	153 Å²	153	125.7 Å²	125.7	82%	0.818	75%	0.75	S	S	*	*			trans	-36.9	130	170.3	-102.2	-19	0	0	0	111.4	S464	N462-S464 PolarHBondContact O-N 2.98Å
463	P	23.4	Very low	20.7	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	75%	0.753	S	S	*	*			trans	-69.3	125.8	171.5	29	-29.4	0	0	0	108.1
464	S	20.3	Very low	20.8	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	76%	0.764	S	S	*	*			trans	-36.1	146	161.5	46.3	0	0	0	0	113	N462	N462-S464 PolarHBondContact O-N 2.98Å
465	A	23.6	Very low	20.9	Very low	89 Å²	89	130.1 Å²	130.1	74%	0.736	76%	0.763	S	S	*	*			trans	-0.5	132	141.6	0	0	0	0	0	115.6
466	V	29.3	Very low	21	Very low	155 Å²	155	128.3 Å²	128.3	94%	0.939	76%	0.762	S	S	*	*			trans	143.7	116.8	162.9	162	0	0	0	0	107.9
467	G	21.1	Very low	21	Very low	67 Å²	67	136.9 Å²	136.9	69%	0.691	78%	0.777	S	S	*	*			cis	-149.4	139.3	-17.7	0	0	0	0	0	106
468	N	20.7	Very low	21.1	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	77%	0.769	S	S	*	*			cis	42.4	62.9	32.5	-81.4	13	0	0	0	112.8
469	G	21.1	Very low	21.1	Very low	79 Å²	79	134.5 Å²	134.5	81%	0.814	77%	0.767	S	S	*	*			trans	-97.1	90	147	0	0	0	0	0	108.7
470	N	21.2	Very low	21.3	Very low	128 Å²	128	133.7 Å²	133.7	68%	0.684	77%	0.769	S	S	*	*			trans	-37.9	137.5	169.3	-77	-30.5	0	0	0	112.3
471	I	18.4	Very low	21.4	Very low	137 Å²	137	132.2 Å²	132.2	70%	0.703	77%	0.769	S	S	*	*	S	Bend		37.5	111.5	93.5	-64.5	172.3	0	0	0	112.3
472	N	19.5	Very low	21.3	Very low	137 Å²	137	128.5 Å²	128.5	73%	0.733	77%	0.767	S	S	*	*			trans	78.3	132.1	157.8	-67	-16.3	0	0	0	120.1
473	N	21.9	Very low	21.4	Very low	119 Å²	119	125.7 Å²	125.7	64%	0.636	77%	0.765	S	S	*	*			trans	73.6	92.8	144.1	-66.2	-14.9	0	0	0	118.8
474	Y	19.7	Very low	21.4	Very low	232 Å²	232	125.9 Å²	125.9	91%	0.91	77%	0.769	S	S	*	*				-152.9	90.9	123.9	-90.4	-78.2	0	0	0	106.1
475	I	20.1	Very low	21.5	Very low	129 Å²	129	124.6 Å²	124.6	66%	0.662	77%	0.773	S	S	*	*				27.2	93.9	89.6	-57.3	-178.3	0	0	0	112.4
476	S	20.9	Very low	21.5	Very low	107 Å²	107	128 Å²	128	75%	0.748	77%	0.767	S	S	*	*				44.3	80.9	122.3	-30	0	0	0	0	116.7
477	R	19.2	Very low	21.4	Very low	237 Å²	237	129.9 Å²	129.9	89%	0.894	77%	0.765	S	S	*	*			trans	-152.8	93.6	152	-76.5	-161.3	178.1	171	-0.9	112.4
478	S	20.6	Very low	21.5	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	77%	0.767	S	S	*	*				-179.1	114.3	115.6	52.7	0	0	0	0	106.9
479	S	20.7	Very low	21.6	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	76%	0.756	S	S	*	*				66.2	85.2	67.2	-55.7	0	0	0	0	111
480	N	21.6	Very low	21.7	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	76%	0.756	S	S	*	*			trans	-179.9	61.1	145.6	-96.7	-2.7	0	0	0	106.1	G482	N480-G482 VanDerWaalsContact C-N 3.28Å
481	S	20.7	Very low	21.6	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	76%	0.762	S	S	*	*				-9.4	77.4	81	67.1	0	0	0	0	116.5
482	G	22.9	Very low	21.8	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	76%	0.763	S	S	*	*			trans	-86.2	132.3	147.4	0	0	0	0	0	109.3	N480	N480-G482 VanDerWaalsContact C-N 3.28Å
483	A	22.6	Very low	21.9	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	76%	0.764	S	S	*	*			trans	-59.4	161.6	-179	0	0	0	0	0	114.6
484	S	23.4	Very low	21.9	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	77%	0.772	S	S	*	*			trans	80.1	96.3	155.3	-54.1	0	0	0	0	119.3
485	G	23	Very low	22.1	Very low	78 Å²	78	133.9 Å²	133.9	80%	0.804	77%	0.767	S	S	*	*				96.1	73.2	115.2	0	0	0	0	0	120.7
486	R	23.5	Very low	22.3	Very low	161 Å²	161	134.6 Å²	134.6	61%	0.608	78%	0.776	S	S	*	*				-71.3	147.9	126.4	-90.5	-175.3	165.6	169.9	3.1	107	S489	R486-S489 VanDerWaalsContact NH2-C 3.25Å; R486-S489 PolarHBondContact NH2-O 2.85Å
487	H	26.1	Very low	22.4	Very low	194 Å²	194	135.8 Å²	135.8	90%	0.898	78%	0.779	S	S	*	*			cis	19.3	100.5	11.6	-76.4	-67.7	0	0	0	118.9
488	N	23.4	Very low	22.7	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	78%	0.778	S	S	*	*			trans	-52	131.6	-178.4	-88.2	-20.1	0	0	0	116.8
489	S	23.3	Very low	22.9	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	78%	0.776	S	S	*	*			trans	-167.9	133.7	142.2	53.5	0	0	0	0	113.2	R486	R486-S489 VanDerWaalsContact NH2-C 3.25Å; R486-S489 PolarHBondContact NH2-O 2.85Å
490	N	23.6	Very low	22.9	Very low	153 Å²	153	135.3 Å²	135.3	82%	0.818	78%	0.784	S	S	*	*			trans	-13.1	132.7	166.7	-59.2	-19.5	0	0	0	120.4
491	W	19.5	Very low	23.2	Very low	211 Å²	211	136.3 Å²	136.3	80%	0.799	79%	0.788	S	S	*	*			trans	-136	121.1	161.3	-91.1	59.1	0	0	0	110.1	L494	W491-L494 HydrophobicContact CZ3-CD1 4.23Å
492	C	21.1	Very low	23.3	Very low	110 Å²	110	140 Å²	140	74%	0.743	79%	0.793	S	S	*	*			trans	-80.6	168.7	140.1	-67.5	0	0	0	0	108.7
493	D	21.9	Very low	23.5	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	79%	0.793	S	S	*	*			trans	81.6	112.1	170.7	-56.7	-23.3	0	0	0	117.5
494	L	22.4	Very low	23.6	Very low	153 Å²	153	143.4 Å²	143.4	80%	0.801	80%	0.798	S	S	*	*				-174.4	141	103.9	-103	144	0	0	0	113.4	W491	W491-L494 HydrophobicContact CZ3-CD1 4.23Å
495	N	23	Very low	23.6	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.3	142.9	179.5	-78.6	-35	0	0	0	113.6
496	V	25.5	Very low	23.7	Very low	143 Å²	143	150.9 Å²	150.9	87%	0.867	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.5	117.2	158.6	175.6	0	0	0	0	108.3
497	T	22	Very low	23.6	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-67.3	124.1	175	33.1	0	0	0	0	112.5
498	L	26.9	Very low	23.5	Very low	165 Å²	165	147.5 Å²	147.5	86%	0.864	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-98.5	148.2	159.5	-134.6	87.7	0	0	0	108.5
499	P	23.2	Very low	23.4	Very low	112 Å²	112	146.8 Å²	146.8	73%	0.727	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.5	138.2	-166.1	31.6	-28.2	0	0	0	113.6
500	N	22.2	Very low	23.4	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	82%	0.819	S	S	*	*			trans	28.9	93.9	150.3	-67.1	-10.5	0	0	0	118.2
501	L	26.4	Very low	23.4	Very low	179 Å²	179	147.8 Å²	147.8	94%	0.937	81%	0.812	S	S	*	*			trans	-134.5	111.7	140.2	-141.2	79.7	0	0	0	107.3
502	E	23.3	Very low	23.6	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68	157.2	-179.8	-90	-167.8	161	0	0	112.9
503	P	28	Very low	23.8	Very low	107 Å²	107	147.4 Å²	147.4	70%	0.695	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97.5	159.7	-154.9	37.1	-32.2	0	0	0	114.3
504	S	23.8	Very low	23.9	Very low	126 Å²	126	147.5 Å²	147.5	88%	0.881	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-95.4	120.9	159.5	-60	0	0	0	0	109.4
505	D	23.6	Very low	24	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-52.8	129.9	-179.2	-65.4	-53.3	0	0	0	113.9
506	F	25.2	Very low	24	Very low	218 Å²	218	145.4 Å²	145.4	96%	0.956	81%	0.812	S	S	*	*			trans	-160.3	76.2	139.3	-104.2	-74.2	0	0	0	108.9
507	L	21.2	Very low	24	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	81%	0.814	S	S	*	*			trans	-104.9	117.4	163.4	-157.5	84.3	0	0	0	107.1
508	C	24.1	Very low	24.1	Very low	127 Å²	127	147 Å²	147	86%	0.858	81%	0.81	S	S	*	*			trans	-126.4	126.4	165.5	-140.2	0	0	0	0	109
509	N	21.2	Very low	24.3	Very low	124 Å²	124	146.6 Å²	146.6	66%	0.663	81%	0.809	S	S	*	*			trans	-70.1	140.6	-167.2	-64.7	-42.9	0	0	0	113.1
510	V	23.9	Very low	24.5	Very low	152 Å²	152	146.1 Å²	146.1	92%	0.921	81%	0.806	S	S	*	*			trans	-131.9	101.8	146.3	-177.5	0	0	0	0	108.4
511	T	23.4	Very low	24.7	Very low	108 Å²	108	147.8 Å²	147.8	66%	0.663	81%	0.806	S	S	*	*			trans	-87.8	139	172.4	42.4	0	0	0	0	111.1
512	Q	22.8	Very low	24.6	Very low	172 Å²	172	145.7 Å²	145.7	80%	0.804	79%	0.794	S	S	*	*			trans	62.5	115.1	146.8	-71.1	-179.7	-22.4	0	0	120.3
513	V	26.1	Very low	24.5	Very low	141 Å²	141	142.1 Å²	142.1	86%	0.855	79%	0.786	S	S	*	*			trans	-137.7	107.9	136.4	-174.5	0	0	0	0	108.4
514	D	23.3	Very low	24.4	Very low	140 Å²	140	143 Å²	143	75%	0.749	79%	0.789	S	S	*	*			trans	-84.3	144.9	155.9	-81.2	-45.2	0	0	0	108.5
515	P	26.1	Very low	24.3	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	78%	0.782	S	S	*	*				-148.3	146.6	112.5	32.8	-14	0	0	0	116
516	I	21	Very low	24.3	Very low	140 Å²	140	143.4 Å²	143.4	72%	0.718	78%	0.781	S	S	*	*			trans	-79.5	129	165.2	-67.9	159.4	0	0	0	109.6
517	F	26.9	Very low	24.3	Very low	205 Å²	205	141.5 Å²	141.5	90%	0.899	78%	0.78	S	S	*	*			trans	176.1	97.1	149.4	-98.7	-72	0	0	0	106.7
518	S	23.1	Very low	24.3	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	78%	0.784	S	S	*	*				68.2	102.2	62.9	-59.9	0	0	0	0	116.1
519	N	31.4	Very low	24.3	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	78%	0.779	S	S	*	*			trans	-11.7	155.7	154.9	-108.8	-3	0	0	0	120.4
520	P	28.6	Very low	24.9	Very low	103 Å²	103	144.2 Å²	144.2	67%	0.669	79%	0.789	S	S	*	*				-158.6	152.5	90.6	35.3	-13.4	0	0	0	120.8
521	F	24.7	Very low	25	Very low	192 Å²	192	140.2 Å²	140.2	84%	0.842	78%	0.779	S	S	*	*			trans	64.8	139.4	144.9	-73.3	-56.3	0	0	0	119.7
522	I	25.3	Very low	25.1	Very low	136 Å²	136	140.2 Å²	140.2	70%	0.697	78%	0.783	S	S	*	*			cis	-172.3	126	25	-99.9	154.8	0	0	0	106.7
523	T	21.8	Very low	25.2	Very low	115 Å²	115	139 Å²	139	71%	0.706	78%	0.782	S	S	*	*				49.3	123.3	96.2	61.8	0	0	0	0	121.1
524	T	24.1	Very low	25.1	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	78%	0.777	S	S	*	*			trans	77.6	109.4	142.8	59.6	0	0	0	0	123.8
525	D	22.5	Very low	25	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	77%	0.772	S	S	*	*				46.3	115.2	123.3	-74.9	-28.3	0	0	0	124.3
526	N	23.8	Very low	24.9	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	77%	0.769	S	S	*	*				66.6	90.3	123.5	-62.4	-36.2	0	0	0	122.4
527	L	24.7	Very low	25.1	Very low	177 Å²	177	136.3 Å²	136.3	93%	0.927	77%	0.773	S	S	*	*			trans	-150.2	108.7	143.3	-84.4	177.7	0	0	0	112.7
528	R	21.1	Very low	25.1	Very low	242 Å²	242	133.7 Å²	133.7	91%	0.913	77%	0.768	S	S	*	*			trans	30.2	136.1	138.3	-156.8	174.9	-175.2	171.3	1.5	122.8
529	A	25.2	Very low	25.3	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	77%	0.772	S	S	*	*			trans	88	151.8	148.3	0	0	0	0	0	120.4
530	P	32.8	Very low	25.1	Very low	134 Å²	134	134.3 Å²	134.3	87%	0.87	77%	0.768	S	S	*	*				-107.4	152.8	-127.4	39.3	-35.1	0	0	0	116.1
531	G	26.2	Very low	25.2	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	77%	0.773	S	S	*	*			trans	-171.5	107.9	168.5	0	0	0	0	0	112.3
532	S	25.3	Very low	25.5	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	76%	0.762	S	S	*	*			trans	31.1	129.5	149.3	58	0	0	0	0	121.8
533	N	25.1	Very low	25.7	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	77%	0.768	S	S	*	*			trans	101.4	99.2	144.5	-62.3	-14.2	0	0	0	119
534	V	23.4	Very low	26.1	Very low	126 Å²	126	133.3 Å²	133.3	76%	0.764	78%	0.775	S	S	*	*				65.2	101.1	121.6	-179.1	0	0	0	0	116.6
535	S	22.8	Very low	26.4	Very low	90 Å²	90	134.3 Å²	134.3	63%	0.629	78%	0.775	S	S	*	*			trans	53	115.1	143	67.2	0	0	0	0	117.4
536	T	23.3	Very low	26.6	Very low	120 Å²	120	137 Å²	137	74%	0.736	78%	0.781	S	S	*	*				166.2	136.2	101.5	36.8	0	0	0	0	110.1
537	L	25.4	Very low	26.9	Very low	150 Å²	150	138.6 Å²	138.6	79%	0.785	78%	0.783	S	S	*	*			trans	68.2	109.6	148.7	-57.8	159.9	0	0	0	117.9
538	D	26.4	Very low	27.2	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	78%	0.781	S	S	*	*				-173.6	107.2	102.5	-87	-24.8	0	0	0	110.4
539	V	26.9	Very low	27.6	Very low	134 Å²	134	134.2 Å²	134.2	81%	0.812	77%	0.769	S	S	*	*			trans	-111.6	98.6	157.1	174.5	0	0	0	0	105.2	S541	V539-S541 PolarHBondContact O-N 2.9Å
540	D	27.6	Very low	27.9	Very low	139 Å²	139	133.9 Å²	133.9	74%	0.743	76%	0.759	S	S	*	*			trans	-57.3	105.7	167.7	-100.4	-47.1	0	0	0	109.6	S542	D540-S542 PolarHBondContact OD1-OG 2.95Å
541	S	30.7	Very low	28.5	Very low	112 Å²	112	135 Å²	135	78%	0.783	76%	0.763	S	S	*	*			trans	-108.8	59.3	162.3	-72	0	0	0	0	108.7	V539	V539-S541 PolarHBondContact O-N 2.9Å
542	S	30.2	Very low	29.1	Very low	86 Å²	86	134.7 Å²	134.7	60%	0.601	75%	0.75	S	S	*	*			trans	-108.1	56.2	172.9	49	0	0	0	0	110.1	D540	D540-S542 PolarHBondContact OD1-OG 2.95Å
543	L	30.2	Very low	29.8	Very low	160 Å²	160	134.5 Å²	134.5	84%	0.838	73%	0.734	S	S	*	*			trans	-136.8	61.3	163.6	-74.1	175.9	0	0	0	110.8
544	I	31.2	Very low	30.7	Very low	167 Å²	167	133.9 Å²	133.9	86%	0.856	73%	0.73	S	S	*	*			trans	-119.6	59.9	151.8	-51.4	177.9	0	0	0	106.9	K546	I544-K546 PolarHBondContact O-N 3.12Å
545	L	29.6	Very low	31.8	Very low	147 Å²	147	130.5 Å²	130.5	77%	0.77	72%	0.716	S	S	*	*			trans	-69.9	115.3	159	-171.1	70.7	0	0	0	105.9	Q547	L545-Q547 VanDerWaalsContact C-N 3.27Å; L545-Q547 PolarHBondContact O-N 3.44Å
546	K	27.6	Very low	33.1	Very low	194 Å²	194	129.6 Å²	129.6	84%	0.843	71%	0.707	S	S	*	*			trans	-49.6	92.8	166.2	-72.6	177.8	175.9	179.1	0	108.6	I544 K548	I544-K546 PolarHBondContact O-N 3.12Å; K546-K548 PolarHBondContact O-N 3.42Å
547	Q	29.4	Very low	34.4	Very low	171 Å²	171	126.6 Å²	126.6	80%	0.799	69%	0.686	S	S	*	*			trans	-65.6	108.9	169.5	-89.3	-179.1	-19.9	0	0	106.9	L545 L549	L545-Q547 VanDerWaalsContact C-N 3.27Å; L545-Q547 PolarHBondContact O-N 3.44Å; Q547-L549 PolarHBondContact O-N 2.87Å
548	K	31	Very low	35.6	Very low	202 Å²	202	126.8 Å²	126.8	88%	0.878	68%	0.677	S	S	*	*			trans	-51.1	113.2	155.6	-81.6	179.1	173	178.4	0	106.5	K546	K546-K548 PolarHBondContact O-N 3.42Å
549	L	28.9	Very low	36.8	Very low	126 Å²	126	124.3 Å²	124.3	66%	0.66	66%	0.661	S	S	*	*			trans	-52.9	122.9	177.9	-78.1	145.1	0	0	0	109	Q547 Y553	Q547-L549 PolarHBondContact O-N 2.87Å; L549-Y553 HydrophobicContact CD2-CD2 3.65Å; L549-Y553 HydrophobicContact CD2-CE2 3.87Å; L549-Y553 HydrophobicContact CD2-CG 4.11Å
550	P	31.4	Very low	38	Very low	82 Å²	82	123.3 Å²	123.3	53%	0.532	64%	0.643	S	S	.	*			trans	-66	147.8	178.2	24.7	-30.4	0	0	0	110.3	S552 Y553	P550-S552 PolarHBondContact O-N 3.22Å; P550-Y553 PolarHBondContact O-N 3.28Å
551	V	45.3	Very low	39.3	Very low	158 Å²	158	117.6 Å²	117.6	96%	0.958	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-7.5	-176.8	-179.6	0	0	0	0	113.3
552	S	39.5	Very low	40.5	Very low	63 Å²	63	118.2 Å²	118.2	44%	0.441	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.7	6.7	175.1	63.5	0	0	0	0	115.4	P550 N554 A555 T556	P550-S552 PolarHBondContact O-N 3.22Å; S552-N554 PolarHBondContact O-N 3.14Å; S552-A555 WeakPolarHBondContact O-CA 3.36Å; S552-A555 WeakPolarHBondContact O-CB 3.42Å; S552-A555 PolarHBondContact O-N 3.28Å; S552-T556 PolarHBondContact O-N 3.25Å; S552-T556 VanDerWaalsContact O-N 3.08Å; S552-T556 PolarHBondContact O-OG1 2.89Å
553	Y	39.6	Very low	41.6	Very low	102 Å²	102	120.7 Å²	120.7	40%	0.4	60%	0.603	S	S	.	*	H	α-helix	trans	-54.4	-36.6	-178.8	-172.3	-107.5	0	0	0	113.6	L549 P550 A555 T556 L557	L549-Y553 HydrophobicContact CD2-CD2 3.65Å; L549-Y553 HydrophobicContact CD2-CE2 3.87Å; L549-Y553 HydrophobicContact CD2-CG 4.11Å; P550-Y553 PolarHBondContact O-N 3.28Å; Y553-A555 VanDerWaalsContact C-N 3.34Å; Y553-A555 PolarHBondContact O-N 2.86Å; Y553-T556 WeakPolarHBondContact CA-OG1 3.49Å; Y553-T556 PolarHBondContact O-N 3.32Å; Y553-T556 PolarHBondContact O-OG1 2.89Å; Y553-L557 HydrophobicContact CD1-CD1 3.75Å; Y553-L557 HydrophobicContact CD1-CG 4.49Å; Y553-L557 HydrophobicContact CE1-CD1 3.26Å; Y553-L557 HydrophobicContact CE1-CG 4.08Å; Y553-L557 PolarHBondContact O-N 3.39Å
554	N	43.5	Very low	42.8	Very low	133 Å²	133	115.4 Å²	115.4	71%	0.711	57%	0.572	S	S	*	*	H	α-helix	trans	-67.8	-31.8	175.7	-74	-10.5	0	0	0	112.9	S552 Y558	S552-N554 PolarHBondContact O-N 3.14Å; N554-Y558 VanDerWaalsContact O-CB 3.28Å; N554-Y558 WeakPolarHBondContact O-CB 3.33Å; N554-Y558 PolarHBondContact O-N 3.21Å; N554-Y558 VanDerWaalsContact O-N 3.09Å
555	A	47	Very low	43.8	Very low	55 Å²	55	108.4 Å²	108.4	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-73.2	-40.4	175.5	0	0	0	0	0	110.8	S552 Y553 Y558 E559	S552-A555 WeakPolarHBondContact O-CA 3.36Å; S552-A555 WeakPolarHBondContact O-CB 3.42Å; S552-A555 PolarHBondContact O-N 3.28Å; Y553-A555 VanDerWaalsContact C-N 3.34Å; Y553-A555 PolarHBondContact O-N 2.86Å; A555-Y558 PolarHBondContact O-N 3.48Å; A555-E559 WeakPolarHBondContact O-CB 3.29Å; A555-E559 WeakPolarHBondContact O-CG 3.26Å; A555-E559 PolarHBondContact O-N 2.92Å
556	T	51.2	Low	45	Very low	72 Å²	72	105.7 Å²	105.7	44%	0.442	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-37.9	177.7	46.7	0	0	0	0	112.8	S552 Y553 Y560	S552-T556 PolarHBondContact O-N 3.25Å; S552-T556 VanDerWaalsContact O-N 3.08Å; S552-T556 PolarHBondContact O-OG1 2.89Å; Y553-T556 WeakPolarHBondContact CA-OG1 3.49Å; Y553-T556 PolarHBondContact O-N 3.32Å; Y553-T556 PolarHBondContact O-OG1 2.89Å; T556-Y560 WeakPolarHBondContact O-CB 3.44Å; T556-Y560 PolarHBondContact O-N 3.42Å
557	L	50.6	Low	46.6	Very low	56 Å²	56	106.9 Å²	106.9	29%	0.293	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-45.1	171.8	-84.6	170.5	0	0	0	111.4	Y553 E559 Y560 S561	Y553-L557 HydrophobicContact CD1-CD1 3.75Å; Y553-L557 HydrophobicContact CD1-CG 4.49Å; Y553-L557 HydrophobicContact CE1-CD1 3.26Å; Y553-L557 HydrophobicContact CE1-CG 4.08Å; Y553-L557 PolarHBondContact O-N 3.39Å; L557-E559 PolarHBondContact O-N 2.9Å; L557-Y560 PolarHBondContact O-N 2.91Å; L557-S561 WeakPolarHBondContact O-CB 3.49Å; L557-S561 PolarHBondContact O-N 3.31Å; L557-S561 PolarHBondContact O-OG 3.45Å
558	Y	50.4	Low	48.6	Very low	155 Å²	155	99.8 Å²	99.8	61%	0.608	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-43.8	177.2	-178.2	-97.3	0	0	0	112.1	N554 A555 S561 R562	N554-Y558 VanDerWaalsContact O-CB 3.28Å; N554-Y558 WeakPolarHBondContact O-CB 3.33Å; N554-Y558 PolarHBondContact O-N 3.21Å; N554-Y558 VanDerWaalsContact O-N 3.09Å; A555-Y558 PolarHBondContact O-N 3.48Å; Y558-S561 PolarHBondContact O-N 2.81Å; Y558-R562 VanDerWaalsContact O-CB 3.28Å; Y558-R562 WeakPolarHBondContact O-CB 3.46Å; Y558-R562 PolarHBondContact O-N 3.48Å
559	E	51.5	Low	51	Low	97 Å²	97	93.2 Å²	93.2	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-37.2	175.7	-72	-152.9	132.9	0	0	112.4	A555 L557 R562 M563	A555-E559 WeakPolarHBondContact O-CB 3.29Å; A555-E559 WeakPolarHBondContact O-CG 3.26Å; A555-E559 PolarHBondContact O-N 2.92Å; L557-E559 PolarHBondContact O-N 2.9Å; E559-R562 PolarHBondContact O-N 3.24Å; E559-R562 IonicContact OE1-CZ 2.91Å; E559-R562 IonicContact OE1-NH1 3.52Å; E559-R562 IonicContact OE1-NH2 3.71Å; E559-R562 PolarHBondContact OE1-NH2 3.39Å; E559-M563 WeakPolarHBondContact O-CB 3.43Å; E559-M563 WeakPolarHBondContact O-CG 3.49Å; E559-M563 PolarHBondContact O-N 3.29Å
560	Y	52.2	Low	53.5	Low	112 Å²	112	91.3 Å²	91.3	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-49.1	172.9	-174.7	-92.2	0	0	0	111.3	T556 L557 R562 M563 R564	T556-Y560 WeakPolarHBondContact O-CB 3.44Å; T556-Y560 PolarHBondContact O-N 3.42Å; L557-Y560 PolarHBondContact O-N 2.91Å; Y560-R562 PolarHBondContact O-N 3.4Å; Y560-M563 PolarHBondContact O-N 2.88Å; Y560-R564 WeakPolarHBondContact O-CB 3.35Å; Y560-R564 PolarHBondContact O-N 3.31Å; Y560-R564 PolarHBondContact OH-NH1 2.58Å; Y560-R564 VanDerWaalsContact OH-NH1 3.12Å
561	S	54	Low	56.1	Low	19 Å²	19	87.4 Å²	87.4	13%	0.133	45%	0.448	C	S	.	.	H	α-helix	trans	-62.3	-29.4	174.4	-58.2	0	0	0	0	112.8	L557 Y558 A565 R787	L557-S561 WeakPolarHBondContact O-CB 3.49Å; L557-S561 PolarHBondContact O-N 3.31Å; L557-S561 PolarHBondContact O-OG 3.45Å; Y558-S561 PolarHBondContact O-N 2.81Å; S561-A565 WeakPolarHBondContact O-CB 3.34Å; S561-A565 PolarHBondContact O-N 2.91Å; S561-A565 VanDerWaalsContact O-N 3.12Å; S561-R787 PolarHBondContact O-NH2 2.92Å; S561-R787 VanDerWaalsContact O-NH2 3.17Å
562	R	55.6	Low	58	Low	126 Å²	126	83.6 Å²	83.6	48%	0.475	42%	0.422	S	S	.	.	H	α-helix	trans	-74.6	-47.5	174.3	-171.3	-175.4	70.3	-156	-8.1	111.7	Y558 E559 Y560 A565 A566	Y558-R562 VanDerWaalsContact O-CB 3.28Å; Y558-R562 WeakPolarHBondContact O-CB 3.46Å; Y558-R562 PolarHBondContact O-N 3.48Å; E559-R562 PolarHBondContact O-N 3.24Å; E559-R562 IonicContact OE1-CZ 2.91Å; E559-R562 IonicContact OE1-NH1 3.52Å; E559-R562 IonicContact OE1-NH2 3.71Å; E559-R562 PolarHBondContact OE1-NH2 3.39Å; Y560-R562 PolarHBondContact O-N 3.4Å; R562-A565 PolarHBondContact O-N 2.82Å; R562-A566 PolarHBondContact O-N 3.13Å
563	M	53.8	Low	60.2	Low	138 Å²	138	82.3 Å²	82.3	68%	0.68	41%	0.41	S	S	*	.	H	α-helix	trans	-64.3	-38.9	177.3	-72.8	-94.5	-102.5	0	0	111.7	E559 Y560 A566	E559-M563 WeakPolarHBondContact O-CB 3.43Å; E559-M563 WeakPolarHBondContact O-CG 3.49Å; E559-M563 PolarHBondContact O-N 3.29Å; Y560-M563 PolarHBondContact O-N 2.88Å; M563-A566 WeakPolarHBondContact O-CB 3.34Å; M563-A566 PolarHBondContact O-N 2.98Å
564	R	55.7	Low	62.5	Low	49 Å²	49	81.5 Å²	81.5	19%	0.185	41%	0.412	C	S	.	.	H	α-helix	trans	-70.3	-39.4	176.3	-168.4	175.3	-175.8	115.5	7.9	111.9	Y560 A566 R567 C568 L799 E802	Y560-R564 WeakPolarHBondContact O-CB 3.35Å; Y560-R564 PolarHBondContact O-N 3.31Å; Y560-R564 PolarHBondContact OH-NH1 2.58Å; Y560-R564 VanDerWaalsContact OH-NH1 3.12Å; R564-A566 PolarHBondContact O-N 3.43Å; R564-A566 VanDerWaalsContact O-N 3.16Å; R564-R567 WeakPolarHBondContact O-CA 3.46Å; R564-R567 WeakPolarHBondContact O-CB 3.33Å; R564-R567 PolarHBondContact O-N 3.49Å; R564-C568 PolarHBondContact O-N 3.35Å; R564-C568 PolarHBondContact O-SG 3.43Å; R564-L799 VanDerWaalsContact NH2-CD2 3.3Å; R564-E802 IonicContact CZ-OE1 3.38Å; R564-E802 IonicContact CZ-OE2 2.85Å; R564-E802 IonicContact NE-OE1 3.09Å; R564-E802 PolarHBondContact NE-OE1 3.06Å; R564-E802 VanDerWaalsContact NE-OE1 3.14Å; R564-E802 IonicContact NE-OE2 3.36Å; R564-E802 PolarHBondContact NE-OE2 3.23Å; R564-E802 IonicContact NH2-OE1 2.68Å; R564-E802 PolarHBondContact NH2-OE1 2.91Å; R564-E802 IonicContact NH2-OE2 3.79Å
565	A	52.4	Low	64.7	Low	20 Å²	20	77.5 Å²	77.5	17%	0.165	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-23.6	173.4	0	0	0	0	0	114.1	S561 R562 R567 C568	S561-A565 WeakPolarHBondContact O-CB 3.34Å; S561-A565 PolarHBondContact O-N 2.91Å; S561-A565 VanDerWaalsContact O-N 3.12Å; R562-A565 PolarHBondContact O-N 2.82Å; A565-R567 PolarHBondContact O-N 2.89Å; A565-C568 PolarHBondContact O-N 3.12Å
566	A	55.1	Low	66.8	Low	89 Å²	89	79.7 Å²	79.7	74%	0.736	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.9	171.3	0	0	0	0	0	113.2	R562 M563 R564	R562-A566 PolarHBondContact O-N 3.13Å; M563-A566 WeakPolarHBondContact O-CB 3.34Å; M563-A566 PolarHBondContact O-N 2.98Å; R564-A566 PolarHBondContact O-N 3.43Å; R564-A566 VanDerWaalsContact O-N 3.16Å
567	R	61.5	Low	68.7	Low	219 Å²	219	77.5 Å²	77.5	83%	0.826	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.2	174.2	-58.6	-177.7	177.4	-177	-1.8	113.2	R564 A565	R564-R567 WeakPolarHBondContact O-CA 3.46Å; R564-R567 WeakPolarHBondContact O-CB 3.33Å; R564-R567 PolarHBondContact O-N 3.49Å; A565-R567 PolarHBondContact O-N 2.89Å
568	C	71.2	Confident	70.5	Confident	22 Å²	22	75.9 Å²	75.9	15%	0.149	37%	0.372	C	S	.	.	S	Bend	trans	-74.6	140.9	179.5	-57.5	0	0	0	0	110.6	R564 A565 E802 V804	R564-C568 PolarHBondContact O-N 3.35Å; R564-C568 PolarHBondContact O-SG 3.43Å; A565-C568 PolarHBondContact O-N 3.12Å; C568-E802 CarbonylContact C-O 3.56Å; C568-E802 WeakPolarHBondContact CA-O 3.47Å; C568-E802 HydrophobicContact CB-CB 4.28Å; C568-V804 HydrophobicContact CB-CB 4.31Å; C568-V804 HydrophobicContact CB-CG2 3.64Å
569	S	81.1	Confident	72.4	Confident	65 Å²	65	70.8 Å²	70.8	46%	0.455	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.8	172.3	-70.7	0	0	0	0	110	M571 E802 F803 V804	S569-M571 PolarHBondContact O-N 3.44Å; S569-E802 PolarHBondContact N-O 2.95Å; S569-F803 VanDerWaalsContact CB-CD1 3.4Å; S569-F803 VanDerWaalsContact CB-CE1 3.47Å; S569-F803 CarbonylContact O-C 3.59Å; S569-F803 WeakPolarHBondContact O-CA 3.01Å; S569-V804 PolarHBondContact O-N 3.14Å
570	Q	81	Confident	74.4	Confident	85 Å²	85	71.2 Å²	71.2	40%	0.397	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127	178.7	177.9	72	39.1	0	0	110.4	N806	Q570-N806 VanDerWaalsContact NE2-N 3.12Å; Q570-N806 PolarHBondContact OE1-ND2 3.16Å
571	M	85.4	Confident	76.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-88	144.9	164.9	-79.2	172.8	-53.1	0	0	111.1	S569 F788 I790 F803 V804 C805 L837 L840	S569-M571 PolarHBondContact O-N 3.44Å; M571-F788 HydrophobicContact CE-CD1 4.29Å; M571-I790 HydrophobicContact CE-CB 4.32Å; M571-I790 HydrophobicContact CE-CD1 3.9Å; M571-I790 HydrophobicContact CE-CG1 4.11Å; M571-I790 HydrophobicContact SD-CD1 3.76Å; M571-I790 HydrophobicContact SD-CG1 4.49Å; M571-F803 HydrophobicContact CE-CB 3.55Å; M571-F803 HydrophobicContact CG-CB 3.71Å; M571-F803 HydrophobicContact CG-CD1 4.08Å; M571-F803 HydrophobicContact CG-CG 4.17Å; M571-F803 HydrophobicContact SD-CB 3.5Å; M571-F803 VanDerWaalsContact SD-CB 3.5Å; M571-F803 HydrophobicContact SD-CG 4.21Å; M571-V804 PolarHBondContact N-O 2.88Å; M571-C805 HydrophobicContact CB-CB 4.29Å; M571-C805 HydrophobicContact CE-CB 4.3Å; M571-L837 HydrophobicContact CB-CD2 3.98Å; M571-L837 HydrophobicContact CE-CD2 4.34Å; M571-L837 HydrophobicContact SD-CD2 4.34Å; M571-L840 HydrophobicContact CG-CD1 4.49Å; M571-L840 HydrophobicContact CG-CD2 3.51Å; M571-L840 HydrophobicContact CG-CG 4.31Å; M571-L840 HydrophobicContact SD-CD1 3.68Å; M571-L840 HydrophobicContact SD-CD2 3.84Å; M571-L840 HydrophobicContact SD-CG 4.05Å
572	N	85.1	Confident	77.8	Confident	79 Å²	79	70.2 Å²	70.2	42%	0.422	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-102.5	132.7	174.9	-68.6	-32	0	0	0	109.8	L574 Q807 L837 N838	N572-L574 PolarHBondContact O-N 3.02Å; N572-Q807 PolarHBondContact OD1-NE2 3.5Å; N572-L837 WeakPolarHBondContact O-CA 3.37Å; N572-N838 HydrophobicContact CB-CB 4.27Å; N572-N838 PolarHBondContact N-OD1 3.47Å; N572-N838 PolarHBondContact O-N 3.01Å; N572-N838 PolarHBondContact O-OD1 3.22Å
573	L	87.2	Confident	79.4	Confident	35 Å²	35	69.3 Å²	69.3	18%	0.183	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120	169.9	-175.5	66.5	0	0	0	107.7	K576 Q807 T808 L835	L573-K576 HydrophobicContact CD1-CB 4.27Å; L573-K576 HydrophobicContact CD2-CB 3.84Å; L573-K576 HydrophobicContact CD2-CD 4.22Å; L573-K576 HydrophobicContact CG-CB 4.29Å; L573-Q807 HydrophobicContact CB-CB 4.35Å; L573-Q807 VanDerWaalsContact CB-OE1 3.31Å; L573-T808 HydrophobicContact CD2-CG2 4.5Å; L573-L835 HydrophobicContact CD1-CB 3.97Å; L573-L835 HydrophobicContact CD1-CD2 3.86Å; L573-L835 HydrophobicContact CD1-CG 4.46Å
574	L	87	Confident	81.1	Confident	85 Å²	85	67.2 Å²	67.2	45%	0.445	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-53.6	174.9	-69.3	177.6	0	0	0	110	N572 Y823 V836 N838	N572-L574 PolarHBondContact O-N 3.02Å; L574-Y823 HydrophobicContact CD1-CD1 3.32Å; L574-Y823 HydrophobicContact CD1-CE1 3.36Å; L574-Y823 HydrophobicContact CD1-CG 4.18Å; L574-V836 WeakPolarHBondContact CB-O 3.47Å; L574-V836 HydrophobicContact CD1-CG1 4.43Å; L574-V836 PolarHBondContact N-O 2.92Å; L574-N838 HydrophobicContact CD1-CB 4.43Å; L574-N838 HydrophobicContact CD2-CB 4.12Å; L574-N838 HydrophobicContact CG-CB 4.1Å
575	T	89.8	Confident	82.7	Confident	50 Å²	50	65.9 Å²	65.9	31%	0.307	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.9	-175	38.5	0	0	0	0	109.3	W577 V836	T575-W577 VanDerWaalsContact OG1-CZ3 3.27Å; T575-W577 WeakPolarHBondContact OG1-CZ3 3.27Å; T575-V836 PolarHBondContact N-O 3.47Å; T575-V836 PolarHBondContact O-N 3.16Å
576	K	90.6	Very high	84.7	Confident	100 Å²	100	69.5 Å²	69.5	44%	0.435	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127.8	175.2	166.4	-179.9	178.7	-179	0	108	L573 N833 V834 L835	L573-K576 HydrophobicContact CD1-CB 4.27Å; L573-K576 HydrophobicContact CD2-CB 3.84Å; L573-K576 HydrophobicContact CD2-CD 4.22Å; L573-K576 HydrophobicContact CG-CB 4.29Å; K576-N833 WeakPolarHBondContact CE-ND2 3.37Å; K576-N833 HydrophobicContact CG-CB 4.21Å; K576-V834 WeakPolarHBondContact CA-O 3.27Å; K576-L835 HydrophobicContact CB-CD2 3.98Å; K576-L835 HydrophobicContact CD-CD2 3.75Å; K576-L835 HydrophobicContact CG-CD2 3.72Å
577	W	92.1	Very high	86.5	Confident	27 Å²	27	65.3 Å²	65.3	10%	0.102	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	172.8	-179.5	64.9	96.1	0	0	0	110.5	T575 I601 F614 K616 N833 V834 V836	T575-W577 VanDerWaalsContact OG1-CZ3 3.27Å; T575-W577 WeakPolarHBondContact OG1-CZ3 3.27Å; W577-I601 HydrophobicContact CH2-CD1 3.7Å; W577-I601 HydrophobicContact CZ2-CD1 3.53Å; W577-F614 AromaticContact NE1-CD1 3.9Å; W577-F614 AromaticContact NE1-CG 3.83Å; W577-K616 VanDerWaalsContact CH2-O 3.25Å; W577-K616 WeakPolarHBondContact CH2-O 3.35Å; W577-N833 CarbonylContact O-C 3.55Å; W577-N833 WeakPolarHBondContact O-CA 3.46Å; W577-N833 WeakPolarHBondContact O-CB 3.18Å; W577-V834 HydrophobicContact CD2-CB 4.12Å; W577-V834 HydrophobicContact CH2-CG1 4.18Å; W577-V834 HydrophobicContact CZ2-CB 4Å; W577-V834 HydrophobicContact CZ2-CG1 3.69Å; W577-V834 PolarHBondContact N-O 3.37Å; W577-V834 PolarHBondContact O-N 2.96Å; W577-V836 HydrophobicContact CH2-CB 4.11Å; W577-V836 HydrophobicContact CH2-CG2 3.18Å; W577-V836 HydrophobicContact CZ2-CG2 4.21Å; W577-V836 HydrophobicContact CZ3-CB 3.94Å; W577-V836 HydrophobicContact CZ3-CG2 3.49Å; W577-V836 VanDerWaalsContact CZ3-CG2 3.49Å
578	G	88.2	Confident	88.1	Confident	22 Å²	22	57 Å²	57	23%	0.227	32%	0.315	C	S	.	.			trans	91.8	159.4	-164	0	0	0	0	0	111.2	N832 N833	G578-N832 CarbonylContact C-O 3.54Å; G578-N833 PolarHBondContact O-OD1 3.21Å
579	S	90.2	Very high	89.1	Confident	47 Å²	47	56.9 Å²	56.9	33%	0.329	32%	0.315	S	S	.	.			trans	-164.4	164.5	169.5	65.8	0	0	0	0	107	G581 R586 L587 N832	S579-G581 PolarHBondContact O-N 2.91Å; S579-R586 WeakPolarHBondContact O-CB 3.48Å; S579-R586 WeakPolarHBondContact OG-CD 3.31Å; S579-R586 WeakPolarHBondContact OG-CG 3.46Å; S579-L587 PolarHBondContact O-N 3.32Å; S579-N832 PolarHBondContact N-O 3.35Å
580	L	92.5	Very high	89.7	Confident	107 Å²	107	53.8 Å²	53.8	56%	0.56	29%	0.293	S	S	*	.	B	Isolated β-bridge	trans	-58.3	128.4	173.1	-176.7	63.2	0	0	0	110.5	L587 N588	L580-L587 VanDerWaalsContact CA-O 3.29Å; L580-L587 WeakPolarHBondContact CA-O 3.3Å; L580-N588 HydrophobicContact CD1-CB 4.33Å; L580-N588 WeakPolarHBondContact CD1-OD1 3.47Å
581	G	89.6	Confident	90.2	Very high	18 Å²	18	51.5 Å²	51.5	19%	0.186	28%	0.283	C	S	.	.	S	Bend	trans	163.4	173	172.9	0	0	0	0	0	113.2	S579 L587 N608	S579-G581 PolarHBondContact O-N 2.91Å; G581-L587 PolarHBondContact N-O 2.98Å; G581-N608 PolarHBondContact O-ND2 2.98Å
582	C	88.7	Confident	90.6	Very high	91 Å²	91	51.5 Å²	51.5	62%	0.615	28%	0.283	S	S	*	.	S	Bend	trans	-103.3	-11.9	177	56.3	0	0	0	0	113.7	R610	C582-R610 VanDerWaalsContact O-CZ 3.27Å; C582-R610 PolarHBondContact O-NH1 3.18Å; C582-R610 PolarHBondContact O-NH2 3.3Å
583	E	89.3	Confident	91.1	Very high	108 Å²	108	48.1 Å²	48.1	51%	0.505	26%	0.264	S	S	.	.	S	Bend	trans	-63.3	158.6	176.5	-65.5	169.9	-162.6	0	0	112	G585 R586 R610	E583-G585 PolarHBondContact O-N 3.07Å; E583-R586 HydrophobicContact CB-CB 4.49Å; E583-R586 HydrophobicContact CB-CG 4.24Å; E583-R586 PolarHBondContact O-N 3.45Å; E583-R586 VanDerWaalsContact O-N 3.09Å; E583-R586 IonicContact OE1-CZ 3.8Å; E583-R586 IonicContact OE1-NH1 2.67Å; E583-R586 IonicContact OE1-NH2 3.41Å; E583-R586 IonicContact OE2-CZ 2.69Å; E583-R586 IonicContact OE2-NE 2.75Å; E583-R586 PolarHBondContact OE2-NE 3.3Å; E583-R586 VanDerWaalsContact OE2-NE 3.13Å; E583-R586 IonicContact OE2-NH1 3.11Å; E583-R586 IonicContact OE2-NH2 3.59Å; E583-R586 PolarHBondContact OE2-NH2 2.81Å; E583-R610 PolarHBondContact O-NH2 2.94Å
584	L	90.1	Very high	91.5	Very high	93 Å²	93	47 Å²	47	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	134.1	173.9	-61.4	178.6	0	0	0	110.2	R586 F620 F623	L584-R586 PolarHBondContact O-N 2.72Å; L584-F620 HydrophobicContact CB-CD2 4.4Å; L584-F620 HydrophobicContact CB-CE1 4.43Å; L584-F620 HydrophobicContact CB-CE2 4.29Å; L584-F620 HydrophobicContact CB-CZ 4.3Å; L584-F620 HydrophobicContact CD1-CE1 3.99Å; L584-F620 HydrophobicContact CD1-CZ 4.13Å; L584-F620 HydrophobicContact CD2-CE1 4.44Å; L584-F620 HydrophobicContact CD2-CE2 4.03Å; L584-F620 HydrophobicContact CD2-CZ 3.76Å; L584-F620 HydrophobicContact CG-CZ 4.28Å; L584-F623 HydrophobicContact CD2-CD1 3.63Å; L584-F623 HydrophobicContact CD2-CE1 3.77Å; L584-F623 HydrophobicContact CD2-CG 4.02Å; L584-F623 HydrophobicContact CD2-CZ 4.3Å
585	G	89	Confident	91.9	Very high	21 Å²	21	43.8 Å²	43.8	22%	0.216	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-12.5	-174.8	0	0	0	0	0	115.8	E583	E583-G585 PolarHBondContact O-N 3.07Å
586	R	93.2	Very high	92.2	Very high	97 Å²	97	41.5 Å²	41.5	37%	0.366	23%	0.228	S	C	.	.			trans	-93.4	150.1	167.2	-60.4	-167	-172.2	177.4	16.7	110.4	S579 E583 L584 R610 Q612	S579-R586 WeakPolarHBondContact O-CB 3.48Å; S579-R586 WeakPolarHBondContact OG-CD 3.31Å; S579-R586 WeakPolarHBondContact OG-CG 3.46Å; E583-R586 HydrophobicContact CB-CB 4.49Å; E583-R586 HydrophobicContact CB-CG 4.24Å; E583-R586 PolarHBondContact O-N 3.45Å; E583-R586 VanDerWaalsContact O-N 3.09Å; E583-R586 IonicContact OE1-CZ 3.8Å; E583-R586 IonicContact OE1-NH1 2.67Å; E583-R586 IonicContact OE1-NH2 3.41Å; E583-R586 IonicContact OE2-CZ 2.69Å; E583-R586 IonicContact OE2-NE 2.75Å; E583-R586 PolarHBondContact OE2-NE 3.3Å; E583-R586 VanDerWaalsContact OE2-NE 3.13Å; E583-R586 IonicContact OE2-NH1 3.11Å; E583-R586 IonicContact OE2-NH2 3.59Å; E583-R586 PolarHBondContact OE2-NH2 2.81Å; L584-R586 PolarHBondContact O-N 2.72Å; R586-R610 PolarHBondContact O-NH2 2.93Å; R586-Q612 PolarHBondContact O-NE2 2.92Å
587	L	94.4	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-124	152.7	-173.8	-63.6	169.6	0	0	0	110.1	S579 L580 G581 P590 V603 D605 F614 N832 V834	S579-L587 PolarHBondContact O-N 3.32Å; L580-L587 VanDerWaalsContact CA-O 3.29Å; L580-L587 WeakPolarHBondContact CA-O 3.3Å; G581-L587 PolarHBondContact N-O 2.98Å; L587-P590 HydrophobicContact CB-CG 4.36Å; L587-P590 HydrophobicContact CD1-CG 4.34Å; L587-V603 HydrophobicContact CD2-CG1 3.99Å; L587-D605 HydrophobicContact CD2-CB 4.17Å; L587-F614 HydrophobicContact CD2-CE2 4.24Å; L587-F614 HydrophobicContact CD2-CZ 4.42Å; L587-N832 HydrophobicContact CB-CB 4.43Å; L587-N832 WeakPolarHBondContact O-CB 3.45Å; L587-V834 HydrophobicContact CD1-CG2 3.86Å
588	N	94	Very high	92.2	Very high	44 Å²	44	44 Å²	44	24%	0.235	24%	0.243	C	C	.	.	S	Bend	trans	-132.4	99.3	175.7	-166.8	-6.7	0	0	0	111	L580 D605 Y607 N608	L580-N588 HydrophobicContact CD1-CB 4.33Å; L580-N588 WeakPolarHBondContact CD1-OD1 3.47Å; N588-D605 PolarHBondContact N-OD1 3.35Å; N588-Y607 WeakPolarHBondContact ND2-CB 3.34Å; N588-Y607 WeakPolarHBondContact O-CB 3.45Å; N588-Y607 PolarHBondContact O-N 3.49Å; N588-N608 WeakPolarHBondContact CB-ND2 3.31Å
589	S	92.4	Very high	92.4	Very high	20 Å²	20	44.4 Å²	44.4	14%	0.14	24%	0.238	C	C	.	.	S	Bend	trans	46.5	60.6	179.6	-166.1	0	0	0	0	112.5	T606 R829 N832	S589-T606 WeakPolarHBondContact O-CB 3.37Å; S589-T606 PolarHBondContact O-OG1 3Å; S589-R829 PolarHBondContact O-NH1 3.3Å; S589-R829 PolarHBondContact OG-NH1 3.5Å; S589-R829 PolarHBondContact OG-NH2 3.16Å; S589-R829 VanDerWaalsContact OG-NH2 3.16Å; S589-N832 VanDerWaalsContact CA-OD1 3.26Å; S589-N832 WeakPolarHBondContact CA-OD1 3.48Å; S589-N832 PolarHBondContact N-OD1 3.23Å
590	P	94.1	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.			trans	-63.3	143.4	-179.7	30.7	-36.9	0	0	0	110.1	L587 V603 A604 L827 R829	L587-P590 HydrophobicContact CB-CG 4.36Å; L587-P590 HydrophobicContact CD1-CG 4.34Å; P590-V603 HydrophobicContact CB-CG1 3.67Å; P590-A604 WeakPolarHBondContact CA-O 3.42Å; P590-L827 HydrophobicContact CB-CD1 4.14Å; P590-L827 HydrophobicContact CG-CD2 4.44Å; P590-R829 PolarHBondContact O-NH1 3.32Å
591	H	92.3	Very high	92.8	Very high	38 Å²	38	38.2 Å²	38.2	18%	0.176	20%	0.201	C	C	.	.			trans	-116.4	-19.9	-173.3	-163.8	-59.7	0	0	0	113.5	A604 T606 R638	H591-A604 PolarHBondContact N-O 2.9Å; H591-T606 WeakPolarHBondContact CB-OG1 3.43Å; H591-T606 PolarHBondContact N-OG1 3.1Å; H591-R638 CarbonylContact C-O 3.18Å; H591-R638 VanDerWaalsContact C-O 3.3Å; H591-R638 PolarHBondContact CE1-NH2 2.87Å; H591-R638 VanDerWaalsContact CE1-NH2 3.33Å; H591-R638 PolarHBondContact NE2-NE 3.3Å; H591-R638 PolarHBondContact NE2-NH2 2.91Å; H591-R638 VanDerWaalsContact NE2-NH2 3.11Å
592	G	92.7	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155.7	-179.2	0	0	0	0	0	111.4	A604 R638	G592-A604 WeakPolarHBondContact O-CB 3.38Å; G592-A604 PolarHBondContact O-N 3.22Å; G592-R638 WeakPolarHBondContact CA-O 3.33Å; G592-R638 PolarHBondContact N-O 3.21Å; G592-R638 VanDerWaalsContact N-O 3.15Å
593	F	96.5	Very high	93.6	Very high	7 Å²	7	33 Å²	33	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.9	171	76.5	-72.2	0	0	0	109.7	I601 V602 V603 C815 K817 V825 L827	F593-I601 HydrophobicContact CD2-CG2 3.94Å; F593-V602 CarbonylContact C-O 3.55Å; F593-V602 WeakPolarHBondContact CA-O 3.04Å; F593-V602 WeakPolarHBondContact CB-O 3.37Å; F593-V603 HydrophobicContact CB-CG2 4.18Å; F593-C815 HydrophobicContact CD1-CB 3.83Å; F593-C815 HydrophobicContact CE1-CB 3.63Å; F593-K817 HydrophobicContact CE1-CG 4.44Å; F593-K817 HydrophobicContact CE2-CB 3.71Å; F593-K817 HydrophobicContact CE2-CG 3.73Å; F593-K817 HydrophobicContact CZ-CB 3.69Å; F593-K817 HydrophobicContact CZ-CG 3.67Å; F593-V825 HydrophobicContact CD2-CG1 4.36Å; F593-V825 HydrophobicContact CE2-CB 3.86Å; F593-V825 HydrophobicContact CE2-CG1 3.55Å; F593-V825 HydrophobicContact CZ-CB 3.94Å; F593-V825 HydrophobicContact CZ-CG1 3.81Å; F593-V825 WeakPolarHBondContact CZ-O 3.11Å; F593-L827 HydrophobicContact CB-CD1 3.8Å; F593-L827 HydrophobicContact CB-CG 4.26Å; F593-L827 HydrophobicContact CD1-CD1 3.59Å; F593-L827 HydrophobicContact CD1-CG 3.53Å; F593-L827 HydrophobicContact CE1-CG 4.17Å; F593-L827 HydrophobicContact CG-CD1 4.05Å; F593-L827 HydrophobicContact CG-CG 4.08Å
594	C	95.8	Very high	93.9	Very high	13 Å²	13	27.9 Å²	27.9	9%	0.088	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167.9	163.4	67.6	0	0	0	0	110.1	V602 V640	C594-V602 PolarHBondContact N-O 3.25Å; C594-V602 PolarHBondContact O-N 2.8Å; C594-V640 WeakPolarHBondContact CB-O 3.33Å
595	L	95.5	Very high	94.2	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.089	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.7	164.3	-61.6	179.4	0	0	0	108.2	E600 I601 I642 K817 I818 T819	L595-E600 CarbonylContact C-O 3.23Å; L595-E600 WeakPolarHBondContact CA-O 3.47Å; L595-I601 HydrophobicContact CD2-CG1 4.11Å; L595-I642 VanDerWaalsContact O-CD1 3.27Å; L595-I642 WeakPolarHBondContact O-CD1 3.27Å; L595-I642 WeakPolarHBondContact O-CG1 3.44Å; L595-K817 HydrophobicContact CD1-CB 4.26Å; L595-K817 HydrophobicContact CG-CB 4.12Å; L595-I818 WeakPolarHBondContact CD1-O 3.21Å; L595-T819 HydrophobicContact CD1-CG2 4.1Å; L595-T819 HydrophobicContact CD2-CG2 4.26Å
596	G	94.2	Very high	94.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	11%	0.108	C	C	.	.			trans	-79	-162.7	178.8	0	0	0	0	0	112.8	E599 E600 I642	G596-E599 PolarHBondContact O-N 2.86Å; G596-E600 VanDerWaalsContact CA-CD 3.44Å; G596-E600 VanDerWaalsContact CA-OE1 3.28Å; G596-E600 WeakPolarHBondContact CA-OE1 3.33Å; G596-E600 PolarHBondContact N-O 3.11Å; G596-I642 VanDerWaalsContact C-CD1 3.44Å; G596-I642 WeakPolarHBondContact O-CD1 3.31Å
597	F	91	Very high	94.6	Very high	34 Å²	34	23.4 Å²	23.4	15%	0.149	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-28.9	-169.5	-56.2	-72.7	0	0	0	113	E600 I642 Q647 Y649 R666	F597-E600 PolarHBondContact N-OE1 3.24Å; F597-E600 PolarHBondContact N-OE2 2.88Å; F597-I642 HydrophobicContact CD1-CD1 3.88Å; F597-I642 HydrophobicContact CE1-CB 3.87Å; F597-I642 HydrophobicContact CE1-CD1 4.07Å; F597-I642 HydrophobicContact CE1-CG2 4.09Å; F597-I642 HydrophobicContact CE2-CG2 4.21Å; F597-I642 HydrophobicContact CG-CD1 4.43Å; F597-I642 HydrophobicContact CZ-CB 4.06Å; F597-I642 HydrophobicContact CZ-CG2 3.82Å; F597-Q647 HydrophobicContact CE1-CB 4.26Å; F597-Q647 HydrophobicContact CZ-CB 4.43Å; F597-Y649 AromaticContact CE2-CE1 3.9Å; F597-Y649 HydrophobicContact CE2-CE1 3.9Å; F597-Y649 AromaticContact CE2-CE2 4Å; F597-Y649 HydrophobicContact CE2-CE2 4Å; F597-Y649 AromaticContact CE2-CZ 3.56Å; F597-Y649 HydrophobicContact CZ-CE1 4.43Å; F597-R666 HydrophobicContact CD2-CG 3.91Å; F597-R666 HydrophobicContact CE2-CB 4.16Å; F597-R666 HydrophobicContact CE2-CG 3.76Å
598	E	92.1	Very high	94.6	Very high	147 Å²	147	24.8 Å²	24.8	69%	0.687	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	22.3	175.1	-63.3	170.2	-160.7	0	0	110.6	E600 R666	E598-E600 WeakPolarHBondContact CA-OE2 3.4Å; E598-E600 WeakPolarHBondContact CB-OE2 3.11Å; E598-E600 PolarHBondContact N-OE2 2.95Å; E598-E600 PolarHBondContact O-N 2.67Å; E598-R666 IonicContact OE1-NH2 3.19Å; E598-R666 PolarHBondContact OE1-NH2 3.48Å
599	E	92.8	Very high	94.6	Very high	29 Å²	29	23.6 Å²	23.6	14%	0.136	11%	0.111	C	C	.	.	S	Bend	trans	60.4	26.6	-174.8	-53.1	-172	154.3	0	0	115.1	G596 K616 T820	G596-E599 PolarHBondContact O-N 2.86Å; E599-K616 VanDerWaalsContact CB-CE 3.48Å; E599-K616 WeakPolarHBondContact OE2-CE 3.28Å; E599-K616 IonicContact OE2-NZ 3.95Å; E599-K616 PolarHBondContact OE2-NZ 3.09Å; E599-T820 VanDerWaalsContact OE1-CB 3.24Å; E599-T820 WeakPolarHBondContact OE1-CB 3.5Å; E599-T820 WeakPolarHBondContact OE1-CG2 3.21Å; E599-T820 PolarHBondContact OE1-N 3.48Å; E599-T820 PolarHBondContact OE1-OG1 3.06Å; E599-T820 PolarHBondContact OE2-N 3.12Å; E599-T820 PolarHBondContact OE2-OG1 2.79Å
600	E	95.4	Very high	94.8	Very high	24 Å²	24	23.7 Å²	23.7	11%	0.112	11%	0.109	C	C	.	.			trans	-59.7	146.2	161	66.6	-79.3	-173.3	0	0	110.6	L595 G596 F597 E598 V602 I613 F614	L595-E600 CarbonylContact C-O 3.23Å; L595-E600 WeakPolarHBondContact CA-O 3.47Å; G596-E600 VanDerWaalsContact CA-CD 3.44Å; G596-E600 VanDerWaalsContact CA-OE1 3.28Å; G596-E600 WeakPolarHBondContact CA-OE1 3.33Å; G596-E600 PolarHBondContact N-O 3.11Å; F597-E600 PolarHBondContact N-OE1 3.24Å; F597-E600 PolarHBondContact N-OE2 2.88Å; E598-E600 WeakPolarHBondContact CA-OE2 3.4Å; E598-E600 WeakPolarHBondContact CB-OE2 3.11Å; E598-E600 PolarHBondContact N-OE2 2.95Å; E598-E600 PolarHBondContact O-N 2.67Å; E600-V602 HydrophobicContact CG-CG2 3.96Å; E600-V602 PolarHBondContact O-N 3.29Å; E600-I613 HydrophobicContact CB-CG2 3.74Å; E600-I613 HydrophobicContact CG-CG2 3.33Å; E600-F614 CarbonylContact C-O 3.45Å; E600-F614 VanDerWaalsContact CA-O 3.28Å; E600-F614 WeakPolarHBondContact CA-O 3.03Å; E600-F614 WeakPolarHBondContact CB-O 3.24Å
601	I	96.5	Very high	94.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.6	-179.3	-64.3	164.7	0	0	0	107.8	W577 F593 L595 V603 F614 V825 V834 V836	W577-I601 HydrophobicContact CH2-CD1 3.7Å; W577-I601 HydrophobicContact CZ2-CD1 3.53Å; F593-I601 HydrophobicContact CD2-CG2 3.94Å; L595-I601 HydrophobicContact CD2-CG1 4.11Å; I601-V603 HydrophobicContact CG2-CG2 3.76Å; I601-F614 HydrophobicContact CB-CB 4.37Å; I601-F614 PolarHBondContact N-O 3.11Å; I601-F614 PolarHBondContact O-N 2.93Å; I601-V825 HydrophobicContact CD1-CG1 3.72Å; I601-V825 HydrophobicContact CD1-CG2 4.18Å; I601-V825 HydrophobicContact CG1-CG1 4.14Å; I601-V825 HydrophobicContact CG2-CG1 4.34Å; I601-V834 HydrophobicContact CD1-CG1 4.36Å; I601-V834 HydrophobicContact CG2-CG1 4.23Å; I601-V836 HydrophobicContact CD1-CG2 3.94Å
602	V	97.3	Very high	95.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	107.5	-175.9	-176.3	0	0	0	0	108.9	F593 C594 E600 I611 I613 V640 Y649	F593-V602 CarbonylContact C-O 3.55Å; F593-V602 WeakPolarHBondContact CA-O 3.04Å; F593-V602 WeakPolarHBondContact CB-O 3.37Å; C594-V602 PolarHBondContact N-O 3.25Å; C594-V602 PolarHBondContact O-N 2.8Å; E600-V602 HydrophobicContact CG-CG2 3.96Å; E600-V602 PolarHBondContact O-N 3.29Å; V602-I611 HydrophobicContact CG1-CG2 3.4Å; V602-I611 VanDerWaalsContact CG1-CG2 3.4Å; V602-I613 HydrophobicContact CG1-CG1 4.23Å; V602-I613 HydrophobicContact CG2-CG1 4.24Å; V602-I613 HydrophobicContact CG2-CG2 4.41Å; V602-V640 HydrophobicContact CG1-CG1 4.28Å; V602-V640 HydrophobicContact CG1-CG2 3.93Å; V602-V640 WeakPolarHBondContact O-CG1 3.17Å; V602-Y649 HydrophobicContact CG1-CD1 4.22Å; V602-Y649 HydrophobicContact CG1-CE1 3.99Å; V602-Y649 HydrophobicContact CG2-CE1 3.98Å
603	V	97.1	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.7	-169.4	-176.2	0	0	0	0	111.2	L587 P590 F593 I601 D605 I611 Q612 F614 L827 V834	L587-V603 HydrophobicContact CD2-CG1 3.99Å; P590-V603 HydrophobicContact CB-CG1 3.67Å; F593-V603 HydrophobicContact CB-CG2 4.18Å; I601-V603 HydrophobicContact CG2-CG2 3.76Å; V603-D605 PolarHBondContact O-N 3.02Å; V603-I611 CarbonylContact O-C 3.59Å; V603-I611 VanDerWaalsContact O-CA 3.31Å; V603-I611 WeakPolarHBondContact O-CA 3.47Å; V603-Q612 PolarHBondContact N-O 3.21Å; V603-Q612 PolarHBondContact O-N 3.49Å; V603-F614 HydrophobicContact CG2-CD2 4.07Å; V603-F614 HydrophobicContact CG2-CE2 4.24Å; V603-L827 HydrophobicContact CG1-CD1 4.19Å; V603-L827 HydrophobicContact CG1-CD2 4.06Å; V603-L827 HydrophobicContact CG2-CD2 4.19Å; V603-V834 HydrophobicContact CG2-CG2 4.25Å
604	A	96.8	Very high	95.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	99.2	166.2	0	0	0	0	0	110.3	P590 H591 G592 T606 I611 P637 V640	P590-A604 WeakPolarHBondContact CA-O 3.42Å; H591-A604 PolarHBondContact N-O 2.9Å; G592-A604 WeakPolarHBondContact O-CB 3.38Å; G592-A604 PolarHBondContact O-N 3.22Å; A604-T606 VanDerWaalsContact C-N 3.33Å; A604-T606 PolarHBondContact O-N 3.43Å; A604-T606 PolarHBondContact O-OG1 2.89Å; A604-I611 HydrophobicContact CB-CD1 3.86Å; A604-P637 HydrophobicContact CB-CB 4.13Å; A604-V640 HydrophobicContact CB-CG1 4.34Å
605	D	95.5	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	78.4	-179.3	-170	6.2	0	0	0	110	L587 N588 V603 Y607 N608 H609 R610 Q612	L587-D605 HydrophobicContact CD2-CB 4.17Å; N588-D605 PolarHBondContact N-OD1 3.35Å; V603-D605 PolarHBondContact O-N 3.02Å; D605-Y607 PolarHBondContact O-N 3.39Å; D605-N608 HydrophobicContact CB-CB 4.47Å; D605-N608 VanDerWaalsContact CG-ND2 3.31Å; D605-N608 CarbonylContact O-C 3.6Å; D605-N608 PolarHBondContact O-N 3.04Å; D605-N608 VanDerWaalsContact O-N 3.17Å; D605-N608 PolarHBondContact OD1-ND2 3.3Å; D605-N608 WeakPolarHBondContact OD2-CB 3.43Å; D605-N608 PolarHBondContact OD2-ND2 2.85Å; D605-H609 PolarHBondContact O-N 3.36Å; D605-R610 WeakPolarHBondContact CA-O 3.36Å; D605-R610 HydrophobicContact CB-CG 3.9Å; D605-R610 WeakPolarHBondContact CB-O 3.5Å; D605-R610 PolarHBondContact N-O 2.68Å; D605-R610 PolarHBondContact O-N 2.76Å; D605-R610 IonicContact OD2-CZ 2.74Å; D605-R610 IonicContact OD2-NE 3.54Å; D605-R610 PolarHBondContact OD2-NE 3.37Å; D605-R610 IonicContact OD2-NH2 2.62Å; D605-R610 PolarHBondContact OD2-NH2 3.25Å; D605-Q612 PolarHBondContact OD2-NE2 2.81Å
606	T	95	Very high	94.9	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.043	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-53.5	-51	-161.4	-55.7	0	0	0	0	113.7	S589 H591 A604 H609 Y636 P637	S589-T606 WeakPolarHBondContact O-CB 3.37Å; S589-T606 PolarHBondContact O-OG1 3Å; H591-T606 WeakPolarHBondContact CB-OG1 3.43Å; H591-T606 PolarHBondContact N-OG1 3.1Å; A604-T606 VanDerWaalsContact C-N 3.33Å; A604-T606 PolarHBondContact O-N 3.43Å; A604-T606 PolarHBondContact O-OG1 2.89Å; T606-H609 PolarHBondContact O-N 3.08Å; T606-Y636 HydrophobicContact CG2-CD1 4.05Å; T606-Y636 WeakPolarHBondContact O-CA 3.46Å; T606-Y636 WeakPolarHBondContact O-CD1 3.43Å; T606-P637 WeakPolarHBondContact CA-O 3.31Å; T606-P637 WeakPolarHBondContact CB-O 3.45Å; T606-P637 WeakPolarHBondContact CG2-O 3.36Å; T606-P637 PolarHBondContact OG1-O 3.18Å
607	Y	94.4	Very high	94.7	Very high	110 Å²	110	34 Å²	34	43%	0.431	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-85.6	-10.5	-175.6	-78.2	-101.3	0	0	0	114.1	N588 D605 H609 Y636	N588-Y607 WeakPolarHBondContact ND2-CB 3.34Å; N588-Y607 WeakPolarHBondContact O-CB 3.45Å; N588-Y607 PolarHBondContact O-N 3.49Å; D605-Y607 PolarHBondContact O-N 3.39Å; Y607-H609 VanDerWaalsContact C-N 3.35Å; Y607-H609 PolarHBondContact O-CD2 2.95Å; Y607-H609 VanDerWaalsContact O-CD2 3.29Å; Y607-Y636 HydrophobicContact CD1-CD1 4.33Å; Y607-Y636 AromaticContact CD1-CE1 3.6Å; Y607-Y636 HydrophobicContact CD1-CE1 3.6Å; Y607-Y636 AromaticContact CE1-CE1 3.85Å; Y607-Y636 HydrophobicContact CE1-CE1 3.85Å; Y607-Y636 HydrophobicContact CG-CD1 4.38Å; Y607-Y636 HydrophobicContact CG-CE1 4.05Å
608	N	94.4	Very high	94.6	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.16	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-94.9	4	169	-64.2	-32.3	0	0	0	112	G581 N588 D605 R610	G581-N608 PolarHBondContact O-ND2 2.98Å; N588-N608 WeakPolarHBondContact CB-ND2 3.31Å; D605-N608 HydrophobicContact CB-CB 4.47Å; D605-N608 VanDerWaalsContact CG-ND2 3.31Å; D605-N608 CarbonylContact O-C 3.6Å; D605-N608 PolarHBondContact O-N 3.04Å; D605-N608 VanDerWaalsContact O-N 3.17Å; D605-N608 PolarHBondContact OD1-ND2 3.3Å; D605-N608 WeakPolarHBondContact OD2-CB 3.43Å; D605-N608 PolarHBondContact OD2-ND2 2.85Å; N608-R610 VanDerWaalsContact C-N 3.26Å; N608-R610 HydrophobicContact CB-CG 4.08Å; N608-R610 PolarHBondContact O-N 3.06Å
609	H	95.2	Very high	94.6	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.083	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	35.2	173	-60.7	-94	0	0	0	114.5	D605 T606 Y607 M634 W635 Y636	D605-H609 PolarHBondContact O-N 3.36Å; T606-H609 PolarHBondContact O-N 3.08Å; Y607-H609 VanDerWaalsContact C-N 3.35Å; Y607-H609 PolarHBondContact O-CD2 2.95Å; Y607-H609 VanDerWaalsContact O-CD2 3.29Å; H609-M634 WeakPolarHBondContact CB-O 3.34Å; H609-M634 PolarHBondContact ND1-O 3.14Å; H609-M634 WeakPolarHBondContact O-CB 3.47Å; H609-W635 AromaticContact CE1-CD2 3.8Å; H609-W635 AromaticContact CE1-CE3 3.22Å; H609-W635 AromaticContact CE1-CZ3 3.33Å; H609-W635 WeakPolarHBondContact CE1-CZ3 3.46Å; H609-W635 AromaticContact ND1-CE3 3.43Å; H609-W635 AromaticContact ND1-CZ3 3.88Å; H609-W635 AromaticContact NE2-CZ3 3.95Å; H609-Y636 AromaticContact CE1-CD1 3.83Å; H609-Y636 AromaticContact CE1-CD2 3.57Å; H609-Y636 AromaticContact CE1-CE1 3.77Å; H609-Y636 AromaticContact CE1-CE2 3.5Å; H609-Y636 VanDerWaalsContact CE1-CE2 3.5Å; H609-Y636 WeakPolarHBondContact CE1-CE2 3.38Å; H609-Y636 AromaticContact CE1-CG 3.74Å; H609-Y636 AromaticContact CE1-CZ 3.59Å; H609-Y636 PolarHBondContact ND1-N 3.36Å; H609-Y636 VanDerWaalsContact ND1-N 3.14Å; H609-Y636 AromaticContact NE2-CE1 3.68Å; H609-Y636 AromaticContact NE2-CZ 3.64Å
610	R	95.5	Very high	94.7	Very high	22 Å²	22	32.8 Å²	32.8	8%	0.083	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.9	-175.9	66.6	-176.7	-180	-169.7	0.2	112.5	C582 E583 R586 D605 N608 Q612	C582-R610 VanDerWaalsContact O-CZ 3.27Å; C582-R610 PolarHBondContact O-NH1 3.18Å; C582-R610 PolarHBondContact O-NH2 3.3Å; E583-R610 PolarHBondContact O-NH2 2.94Å; R586-R610 PolarHBondContact O-NH2 2.93Å; D605-R610 WeakPolarHBondContact CA-O 3.36Å; D605-R610 HydrophobicContact CB-CG 3.9Å; D605-R610 WeakPolarHBondContact CB-O 3.5Å; D605-R610 PolarHBondContact N-O 2.68Å; D605-R610 PolarHBondContact O-N 2.76Å; D605-R610 IonicContact OD2-CZ 2.74Å; D605-R610 IonicContact OD2-NE 3.54Å; D605-R610 PolarHBondContact OD2-NE 3.37Å; D605-R610 IonicContact OD2-NH2 2.62Å; D605-R610 PolarHBondContact OD2-NH2 3.25Å; N608-R610 VanDerWaalsContact C-N 3.26Å; N608-R610 HydrophobicContact CB-CG 4.08Å; N608-R610 PolarHBondContact O-N 3.06Å; R610-Q612 HydrophobicContact CG-CG 4.21Å
611	I	97.6	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.4	165.1	-58	-52.7	0	0	0	107.5	V602 V603 A604 F623 F624 M634 P637 V640 V651	V602-I611 HydrophobicContact CG1-CG2 3.4Å; V602-I611 VanDerWaalsContact CG1-CG2 3.4Å; V603-I611 CarbonylContact O-C 3.59Å; V603-I611 VanDerWaalsContact O-CA 3.31Å; V603-I611 WeakPolarHBondContact O-CA 3.47Å; A604-I611 HydrophobicContact CB-CD1 3.86Å; I611-F623 CarbonylContact O-C 3.3Å; I611-F623 WeakPolarHBondContact O-CA 3.41Å; I611-F623 VanDerWaalsContact O-CB 3.28Å; I611-F623 WeakPolarHBondContact O-CB 3.35Å; I611-F624 HydrophobicContact CB-CD1 4.16Å; I611-F624 HydrophobicContact CB-CD2 4.3Å; I611-F624 HydrophobicContact CB-CE1 3.77Å; I611-F624 HydrophobicContact CB-CE2 3.91Å; I611-F624 HydrophobicContact CB-CG 4.41Å; I611-F624 HydrophobicContact CB-CZ 3.64Å; I611-F624 HydrophobicContact CG1-CD2 4.37Å; I611-F624 HydrophobicContact CG1-CE1 4.36Å; I611-F624 HydrophobicContact CG1-CE2 3.71Å; I611-F624 HydrophobicContact CG1-CZ 3.7Å; I611-F624 HydrophobicContact CG2-CD1 4.38Å; I611-F624 HydrophobicContact CG2-CE1 3.66Å; I611-F624 HydrophobicContact CG2-CZ 3.74Å; I611-F624 PolarHBondContact N-O 3.43Å; I611-F624 PolarHBondContact O-N 3Å; I611-M634 HydrophobicContact CB-CE 4.48Å; I611-M634 HydrophobicContact CD1-SD 4.09Å; I611-M634 HydrophobicContact CG1-CE 3.91Å; I611-M634 HydrophobicContact CG1-SD 3.82Å; I611-P637 HydrophobicContact CD1-CB 4.07Å; I611-P637 HydrophobicContact CD1-CG 4.38Å; I611-V640 HydrophobicContact CD1-CB 4.38Å; I611-V651 HydrophobicContact CD1-CG1 4.01Å; I611-V651 HydrophobicContact CD1-CG2 4.16Å; I611-V651 HydrophobicContact CG1-CG1 4.48Å; I611-V651 HydrophobicContact CG1-CG2 3.97Å
612	Q	96.5	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.7	173.7	-70.6	-166.7	79.1	0	0	110.7	R586 V603 D605 R610 F614 F620 F623	R586-Q612 PolarHBondContact O-NE2 2.92Å; V603-Q612 PolarHBondContact N-O 3.21Å; V603-Q612 PolarHBondContact O-N 3.49Å; D605-Q612 PolarHBondContact OD2-NE2 2.81Å; R610-Q612 HydrophobicContact CG-CG 4.21Å; Q612-F614 HydrophobicContact CB-CD2 4.36Å; Q612-F614 HydrophobicContact CB-CE2 3.47Å; Q612-F614 VanDerWaalsContact CB-CE2 3.47Å; Q612-F614 HydrophobicContact CB-CZ 3.86Å; Q612-F620 HydrophobicContact CG-CE2 4.4Å; Q612-F623 HydrophobicContact CG-CB 4.05Å
613	I	96.9	Very high	94.4	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.7	-175.1	-59	178.4	0	0	0	108.6	E600 V602 V621 S622 F624	E600-I613 HydrophobicContact CB-CG2 3.74Å; E600-I613 HydrophobicContact CG-CG2 3.33Å; V602-I613 HydrophobicContact CG1-CG1 4.23Å; V602-I613 HydrophobicContact CG2-CG1 4.24Å; V602-I613 HydrophobicContact CG2-CG2 4.41Å; I613-V621 HydrophobicContact CB-CB 4.44Å; I613-V621 HydrophobicContact CG2-CB 4.08Å; I613-V621 HydrophobicContact CG2-CG1 4.43Å; I613-V621 WeakPolarHBondContact O-CB 3.3Å; I613-V621 PolarHBondContact O-N 3.01Å; I613-S622 WeakPolarHBondContact CB-O 3.49Å; I613-S622 PolarHBondContact N-O 3.44Å; I613-S622 PolarHBondContact O-N 3.2Å; I613-F624 HydrophobicContact CD1-CD1 4.36Å; I613-F624 HydrophobicContact CD1-CE1 4.14Å
614	F	96.4	Very high	94.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.5	-176	-63.2	-85.1	0	0	0	112.1	W577 L587 E600 I601 V603 Q612 D619 F620	W577-F614 AromaticContact NE1-CD1 3.9Å; W577-F614 AromaticContact NE1-CG 3.83Å; L587-F614 HydrophobicContact CD2-CE2 4.24Å; L587-F614 HydrophobicContact CD2-CZ 4.42Å; E600-F614 CarbonylContact C-O 3.45Å; E600-F614 VanDerWaalsContact CA-O 3.28Å; E600-F614 WeakPolarHBondContact CA-O 3.03Å; E600-F614 WeakPolarHBondContact CB-O 3.24Å; I601-F614 HydrophobicContact CB-CB 4.37Å; I601-F614 PolarHBondContact N-O 3.11Å; I601-F614 PolarHBondContact O-N 2.93Å; V603-F614 HydrophobicContact CG2-CD2 4.07Å; V603-F614 HydrophobicContact CG2-CE2 4.24Å; Q612-F614 HydrophobicContact CB-CD2 4.36Å; Q612-F614 HydrophobicContact CB-CE2 3.47Å; Q612-F614 VanDerWaalsContact CB-CE2 3.47Å; Q612-F614 HydrophobicContact CB-CZ 3.86Å; F614-D619 CarbonylContact C-O 3.56Å; F614-D619 VanDerWaalsContact CA-O 3.24Å; F614-D619 WeakPolarHBondContact CA-O 3Å; F614-F620 HydrophobicContact CD1-CB 4.43Å; F614-F620 HydrophobicContact CE1-CB 4.22Å; F614-F620 HydrophobicContact CE1-CD2 4.08Å; F614-F620 HydrophobicContact CZ-CD2 4.38Å
615	T	93.7	Very high	94.1	Very high	44 Å²	44	44 Å²	44	27%	0.27	22%	0.218	S	C	.	.			trans	-68.1	163.8	164.5	72.5	0	0	0	0	110	R617 G618 D619 V621	T615-R617 PolarHBondContact O-N 3.4Å; T615-R617 VanDerWaalsContact O-N 3.08Å; T615-R617 PolarHBondContact OG1-N 3.42Å; T615-G618 PolarHBondContact O-N 3.35Å; T615-G618 PolarHBondContact OG1-N 2.82Å; T615-D619 HydrophobicContact CG2-CB 3.96Å; T615-D619 PolarHBondContact N-O 3Å; T615-D619 WeakPolarHBondContact OG1-CB 3.16Å; T615-D619 PolarHBondContact OG1-N 3.17Å; T615-D619 VanDerWaalsContact OG1-N 3.07Å; T615-D619 PolarHBondContact OG1-OD2 3.27Å; T615-V621 HydrophobicContact CG2-CG2 3.55Å
616	K	89.2	Confident	93.8	Very high	41 Å²	41	48.5 Å²	48.5	18%	0.178	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.3	171.4	-58.7	179.5	-172.4	-179.4	0	113.4	W577 E599 T819 E821	W577-K616 VanDerWaalsContact CH2-O 3.25Å; W577-K616 WeakPolarHBondContact CH2-O 3.35Å; E599-K616 VanDerWaalsContact CB-CE 3.48Å; E599-K616 WeakPolarHBondContact OE2-CE 3.28Å; E599-K616 IonicContact OE2-NZ 3.95Å; E599-K616 PolarHBondContact OE2-NZ 3.09Å; K616-T819 HydrophobicContact CD-CG2 4.48Å; K616-E821 IonicContact NZ-OE1 3.67Å; K616-E821 PolarHBondContact NZ-OE1 3.12Å
617	R	88.6	Confident	93.6	Very high	202 Å²	202	51.6 Å²	51.6	76%	0.762	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-13.1	177.5	-64.2	179.2	-179.9	-115.6	-2.2	112.9	T615	T615-R617 PolarHBondContact O-N 3.4Å; T615-R617 VanDerWaalsContact O-N 3.08Å; T615-R617 PolarHBondContact OG1-N 3.42Å
618	G	90.3	Very high	93	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.252	C	S	.	.			trans	97.4	8.4	-179.9	0	0	0	0	0	115.6	T615	T615-G618 PolarHBondContact O-N 3.35Å; T615-G618 PolarHBondContact OG1-N 2.82Å
619	D	92.6	Very high	92.6	Very high	97 Å²	97	52.9 Å²	52.9	52%	0.519	27%	0.272	S	S	.	.			trans	-72	136.1	173.7	-47.8	-63.7	0	0	0	109.6	F614 T615 V621	F614-D619 CarbonylContact C-O 3.56Å; F614-D619 VanDerWaalsContact CA-O 3.24Å; F614-D619 WeakPolarHBondContact CA-O 3Å; T615-D619 HydrophobicContact CG2-CB 3.96Å; T615-D619 PolarHBondContact N-O 3Å; T615-D619 WeakPolarHBondContact OG1-CB 3.16Å; T615-D619 PolarHBondContact OG1-N 3.17Å; T615-D619 VanDerWaalsContact OG1-N 3.07Å; T615-D619 PolarHBondContact OG1-OD2 3.27Å; D619-V621 PolarHBondContact O-N 2.98Å
620	F	94	Very high	92.2	Very high	71 Å²	71	57 Å²	57	31%	0.311	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.4	175.2	176	-95.5	0	0	0	110.6	L584 Q612 F614 S622 F623	L584-F620 HydrophobicContact CB-CD2 4.4Å; L584-F620 HydrophobicContact CB-CE1 4.43Å; L584-F620 HydrophobicContact CB-CE2 4.29Å; L584-F620 HydrophobicContact CB-CZ 4.3Å; L584-F620 HydrophobicContact CD1-CE1 3.99Å; L584-F620 HydrophobicContact CD1-CZ 4.13Å; L584-F620 HydrophobicContact CD2-CE1 4.44Å; L584-F620 HydrophobicContact CD2-CE2 4.03Å; L584-F620 HydrophobicContact CD2-CZ 3.76Å; L584-F620 HydrophobicContact CG-CZ 4.28Å; Q612-F620 HydrophobicContact CG-CE2 4.4Å; F614-F620 HydrophobicContact CD1-CB 4.43Å; F614-F620 HydrophobicContact CE1-CB 4.22Å; F614-F620 HydrophobicContact CE1-CD2 4.08Å; F614-F620 HydrophobicContact CZ-CD2 4.38Å; F620-S622 WeakPolarHBondContact CE2-O 3.42Å; F620-F623 HydrophobicContact CE2-CB 4.02Å; F620-F623 HydrophobicContact CZ-CB 3.96Å; F620-F623 AromaticContact CZ-CD1 3.8Å; F620-F623 HydrophobicContact CZ-CD1 3.8Å; F620-F623 HydrophobicContact CZ-CG 4.3Å
621	V	93.5	Very high	91.9	Very high	80 Å²	80	59.1 Å²	59.1	49%	0.485	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-58	179	179.1	0	0	0	0	110.4	I613 T615 D619	I613-V621 HydrophobicContact CB-CB 4.44Å; I613-V621 HydrophobicContact CG2-CB 4.08Å; I613-V621 HydrophobicContact CG2-CG1 4.43Å; I613-V621 WeakPolarHBondContact O-CB 3.3Å; I613-V621 PolarHBondContact O-N 3.01Å; T615-V621 HydrophobicContact CG2-CG2 3.55Å; D619-V621 PolarHBondContact O-N 2.98Å
622	S	94.1	Very high	91.5	Very high	49 Å²	49	59.9 Å²	59.9	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	172.2	-177.9	62.5	0	0	0	0	110.6	I613 F620	I613-S622 WeakPolarHBondContact CB-O 3.49Å; I613-S622 PolarHBondContact N-O 3.44Å; I613-S622 PolarHBondContact O-N 3.2Å; F620-S622 WeakPolarHBondContact CE2-O 3.42Å
623	F	95.6	Very high	91.3	Very high	96 Å²	96	62.9 Å²	62.9	42%	0.421	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.5	173.7	79.3	-72.5	0	0	0	109.3	L584 I611 Q612 F620	L584-F623 HydrophobicContact CD2-CD1 3.63Å; L584-F623 HydrophobicContact CD2-CE1 3.77Å; L584-F623 HydrophobicContact CD2-CG 4.02Å; L584-F623 HydrophobicContact CD2-CZ 4.3Å; I611-F623 CarbonylContact O-C 3.3Å; I611-F623 WeakPolarHBondContact O-CA 3.41Å; I611-F623 VanDerWaalsContact O-CB 3.28Å; I611-F623 WeakPolarHBondContact O-CB 3.35Å; Q612-F623 HydrophobicContact CG-CB 4.05Å; F620-F623 HydrophobicContact CE2-CB 4.02Å; F620-F623 HydrophobicContact CZ-CB 3.96Å; F620-F623 AromaticContact CZ-CD1 3.8Å; F620-F623 HydrophobicContact CZ-CD1 3.8Å; F620-F623 HydrophobicContact CZ-CG 4.3Å
624	F	95.6	Very high	91.1	Very high	14 Å²	14	62.6 Å²	62.6	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.2	168.7	61.5	-90.1	0	0	0	112.5	I611 I613 M634 Y649 V651 F664 G668	I611-F624 HydrophobicContact CB-CD1 4.16Å; I611-F624 HydrophobicContact CB-CD2 4.3Å; I611-F624 HydrophobicContact CB-CE1 3.77Å; I611-F624 HydrophobicContact CB-CE2 3.91Å; I611-F624 HydrophobicContact CB-CG 4.41Å; I611-F624 HydrophobicContact CB-CZ 3.64Å; I611-F624 HydrophobicContact CG1-CD2 4.37Å; I611-F624 HydrophobicContact CG1-CE1 4.36Å; I611-F624 HydrophobicContact CG1-CE2 3.71Å; I611-F624 HydrophobicContact CG1-CZ 3.7Å; I611-F624 HydrophobicContact CG2-CD1 4.38Å; I611-F624 HydrophobicContact CG2-CE1 3.66Å; I611-F624 HydrophobicContact CG2-CZ 3.74Å; I611-F624 PolarHBondContact N-O 3.43Å; I611-F624 PolarHBondContact O-N 3Å; I613-F624 HydrophobicContact CD1-CD1 4.36Å; I613-F624 HydrophobicContact CD1-CE1 4.14Å; F624-M634 HydrophobicContact CD2-CE 4.22Å; F624-M634 WeakPolarHBondContact O-CE 3.42Å; F624-Y649 AromaticContact CE1-CD2 3.87Å; F624-Y649 HydrophobicContact CE1-CD2 3.87Å; F624-Y649 AromaticContact CE1-CE2 3.96Å; F624-Y649 HydrophobicContact CE1-CE2 3.96Å; F624-Y649 HydrophobicContact CE1-CG 4.32Å; F624-Y649 AromaticContact CZ-CD2 3.76Å; F624-Y649 HydrophobicContact CZ-CD2 3.76Å; F624-Y649 HydrophobicContact CZ-CE2 4.33Å; F624-Y649 AromaticContact CZ-CG 3.92Å; F624-Y649 HydrophobicContact CZ-CG 3.92Å; F624-V651 HydrophobicContact CE2-CG2 4.37Å; F624-F664 HydrophobicContact CD2-CD1 4.13Å; F624-F664 HydrophobicContact CD2-CG 4.32Å; F624-F664 HydrophobicContact CE2-CB 4Å; F624-F664 HydrophobicContact CE2-CD1 4.11Å; F624-F664 HydrophobicContact CE2-CD2 4.14Å; F624-F664 AromaticContact CE2-CG 3.83Å; F624-F664 HydrophobicContact CE2-CG 3.83Å; F624-G668 VanDerWaalsContact CG-CA 3.46Å
625	G	91.7	Very high	91.1	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	34%	0.344	C	S	.	.			trans	83.9	162.4	176.1	0	0	0	0	0	116.5
626	V	88.4	Confident	91.2	Very high	93 Å²	93	66.2 Å²	66.2	56%	0.564	34%	0.343	S	S	*	.			trans	-136.4	148.1	-164.9	178.1	0	0	0	0	107.7	G628 L633 M634	V626-G628 PolarHBondContact O-N 3.04Å; V626-L633 HydrophobicContact CB-CD2 4.14Å; V626-M634 PolarHBondContact O-N 3.44Å
627	S	90.8	Very high	91.5	Very high	72 Å²	72	64.2 Å²	64.2	50%	0.503	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-60	126.4	178.5	59.3	0	0	0	0	112.1	M634	S627-M634 WeakPolarHBondContact CA-O 3.46Å
628	G	83.4	Confident	91.8	Very high	13 Å²	13	57.7 Å²	57.7	13%	0.134	31%	0.309	C	S	.	.			trans	170.4	161.2	171.9	0	0	0	0	0	113.2	V626 M634 W635 R660	V626-G628 PolarHBondContact O-N 3.04Å; G628-M634 PolarHBondContact N-O 3.38Å; G628-M634 CarbonylContact O-C 3.53Å; G628-M634 VanDerWaalsContact O-C 3.23Å; G628-M634 PolarHBondContact O-N 2.89Å; G628-W635 PolarHBondContact O-N 3.47Å; G628-R660 PolarHBondContact O-NH2 2.92Å
629	R	85.4	Confident	92.1	Very high	155 Å²	155	57.4 Å²	57.4	59%	0.585	30%	0.304	S	S	*	.	S	Bend	trans	-97.6	-7.1	-178.3	-60.5	-175.1	-174.8	-179.6	5.8	113.7	W635 R660	R629-W635 HydrophobicContact CG-CB 4.42Å; R629-W635 HydrophobicContact CG-CD2 4.1Å; R629-W635 HydrophobicContact CG-CG 4.02Å; R629-R660 PolarHBondContact O-NH1 3.48Å
630	V	87.2	Confident	92.3	Very high	104 Å²	104	53 Å²	53	63%	0.63	28%	0.281	S	S	*	.	S	Bend	trans	-76.8	151.1	175.1	-176	0	0	0	0	109.2	L633 R660	V630-L633 HydrophobicContact CB-CD1 4.12Å; V630-L633 HydrophobicContact CB-CG 4.46Å; V630-L633 WeakPolarHBondContact O-CB 3.43Å; V630-L633 PolarHBondContact O-N 3.3Å; V630-L633 VanDerWaalsContact O-N 3.09Å; V630-R660 PolarHBondContact O-NH1 3.18Å
631	D	89.3	Confident	92.5	Very high	67 Å²	67	50 Å²	50	36%	0.358	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136.5	176.6	-71	-7.8	0	0	0	110.6	L633 R660 F670 R673	D631-L633 VanDerWaalsContact C-N 3.3Å; D631-R660 IonicContact OD1-NH1 3.58Å; D631-R660 PolarHBondContact OD1-NH1 3.21Å; D631-F670 HydrophobicContact CB-CE1 4.26Å; D631-F670 HydrophobicContact CB-CE2 4.37Å; D631-F670 HydrophobicContact CB-CZ 3.73Å; D631-R673 WeakPolarHBondContact OD1-CD 3.23Å; D631-R673 WeakPolarHBondContact OD2-CB 3.35Å; D631-R673 WeakPolarHBondContact OD2-CD 3.46Å
632	G	89.3	Confident	92.6	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-21.9	-170.1	0	0	0	0	0	115.1
633	L	92.4	Very high	92.7	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.325	23%	0.231	S	C	.	.	S	Bend	trans	-90.8	166.6	167.6	-51.9	-178.6	0	0	0	110.2	V626 V630 D631 R660 Q662	V626-L633 HydrophobicContact CB-CD2 4.14Å; V630-L633 HydrophobicContact CB-CD1 4.12Å; V630-L633 HydrophobicContact CB-CG 4.46Å; V630-L633 WeakPolarHBondContact O-CB 3.43Å; V630-L633 PolarHBondContact O-N 3.3Å; V630-L633 VanDerWaalsContact O-N 3.09Å; D631-L633 VanDerWaalsContact C-N 3.3Å; L633-R660 PolarHBondContact O-NH2 2.92Å; L633-Q662 PolarHBondContact O-NE2 2.83Å
634	M	92.1	Very high	92.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-119.9	132.8	-177.5	-79.4	-164.5	-83.6	0	0	113	H609 I611 F624 V626 S627 G628 P637 V651 D653 F664	H609-M634 WeakPolarHBondContact CB-O 3.34Å; H609-M634 PolarHBondContact ND1-O 3.14Å; H609-M634 WeakPolarHBondContact O-CB 3.47Å; I611-M634 HydrophobicContact CB-CE 4.48Å; I611-M634 HydrophobicContact CD1-SD 4.09Å; I611-M634 HydrophobicContact CG1-CE 3.91Å; I611-M634 HydrophobicContact CG1-SD 3.82Å; F624-M634 HydrophobicContact CD2-CE 4.22Å; F624-M634 WeakPolarHBondContact O-CE 3.42Å; V626-M634 PolarHBondContact O-N 3.44Å; S627-M634 WeakPolarHBondContact CA-O 3.46Å; G628-M634 PolarHBondContact N-O 3.38Å; G628-M634 CarbonylContact O-C 3.53Å; G628-M634 VanDerWaalsContact O-C 3.23Å; G628-M634 PolarHBondContact O-N 2.89Å; M634-P637 HydrophobicContact SD-CB 4.02Å; M634-P637 HydrophobicContact SD-CG 4.08Å; M634-V651 HydrophobicContact SD-CG1 3.99Å; M634-D653 WeakPolarHBondContact CA-OD2 3.29Å; M634-F664 HydrophobicContact CG-CZ 4.36Å
635	W	95.2	Very high	92.4	Very high	58 Å²	58	51.1 Å²	51.1	22%	0.22	26%	0.258	C	S	.	.	S	Bend	trans	-123.9	99.2	176.7	-166.1	-119.4	0	0	0	110.1	H609 G628 R629 D653 R654	H609-W635 AromaticContact CE1-CD2 3.8Å; H609-W635 AromaticContact CE1-CE3 3.22Å; H609-W635 AromaticContact CE1-CZ3 3.33Å; H609-W635 WeakPolarHBondContact CE1-CZ3 3.46Å; H609-W635 AromaticContact ND1-CE3 3.43Å; H609-W635 AromaticContact ND1-CZ3 3.88Å; H609-W635 AromaticContact NE2-CZ3 3.95Å; G628-W635 PolarHBondContact O-N 3.47Å; R629-W635 HydrophobicContact CG-CB 4.42Å; R629-W635 HydrophobicContact CG-CD2 4.1Å; R629-W635 HydrophobicContact CG-CG 4.02Å; W635-D653 PolarHBondContact N-OD2 3.24Å; W635-D653 WeakPolarHBondContact O-CB 3.46Å; W635-R654 WeakPolarHBondContact O-CA 3.36Å; W635-R654 VanDerWaalsContact O-CB 3.31Å; W635-R654 WeakPolarHBondContact O-CB 3.42Å; W635-R654 PolarHBondContact O-N 3.32Å
636	Y	96.3	Very high	92.4	Very high	63 Å²	63	51.8 Å²	51.8	25%	0.247	26%	0.26	C	S	.	.	S	Bend	trans	51.2	65.9	-177.3	-60.4	-77.1	0	0	0	113.6	T606 Y607 H609 R638 R654	T606-Y636 HydrophobicContact CG2-CD1 4.05Å; T606-Y636 WeakPolarHBondContact O-CA 3.46Å; T606-Y636 WeakPolarHBondContact O-CD1 3.43Å; Y607-Y636 HydrophobicContact CD1-CD1 4.33Å; Y607-Y636 AromaticContact CD1-CE1 3.6Å; Y607-Y636 HydrophobicContact CD1-CE1 3.6Å; Y607-Y636 AromaticContact CE1-CE1 3.85Å; Y607-Y636 HydrophobicContact CE1-CE1 3.85Å; Y607-Y636 HydrophobicContact CG-CD1 4.38Å; Y607-Y636 HydrophobicContact CG-CE1 4.05Å; H609-Y636 AromaticContact CE1-CD1 3.83Å; H609-Y636 AromaticContact CE1-CD2 3.57Å; H609-Y636 AromaticContact CE1-CE1 3.77Å; H609-Y636 AromaticContact CE1-CE2 3.5Å; H609-Y636 VanDerWaalsContact CE1-CE2 3.5Å; H609-Y636 WeakPolarHBondContact CE1-CE2 3.38Å; H609-Y636 AromaticContact CE1-CG 3.74Å; H609-Y636 AromaticContact CE1-CZ 3.59Å; H609-Y636 PolarHBondContact ND1-N 3.36Å; H609-Y636 VanDerWaalsContact ND1-N 3.14Å; H609-Y636 AromaticContact NE2-CE1 3.68Å; H609-Y636 AromaticContact NE2-CZ 3.64Å; Y636-R638 PolarHBondContact O-N 3.08Å; Y636-R654 PolarHBondContact O-N 3.38Å
637	P	96.4	Very high	92.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.			trans	-59.1	131.4	176.7	27.2	-34.8	0	0	0	110.7	A604 T606 I611 M634 V651 D653	A604-P637 HydrophobicContact CB-CB 4.13Å; T606-P637 WeakPolarHBondContact CA-O 3.31Å; T606-P637 WeakPolarHBondContact CB-O 3.45Å; T606-P637 WeakPolarHBondContact CG2-O 3.36Å; T606-P637 PolarHBondContact OG1-O 3.18Å; I611-P637 HydrophobicContact CD1-CB 4.07Å; I611-P637 HydrophobicContact CD1-CG 4.38Å; M634-P637 HydrophobicContact SD-CB 4.02Å; M634-P637 HydrophobicContact SD-CG 4.08Å; P637-V651 HydrophobicContact CB-CG1 3.92Å; P637-D653 HydrophobicContact CB-CB 4.19Å
638	R	95.2	Very high	92.9	Very high	64 Å²	64	51.1 Å²	51.1	24%	0.242	24%	0.239	C	C	.	.			trans	-111	-39.2	-175.4	-67.5	-174.9	71.8	-140.6	9.6	113.5	H591 G592 Y636 C652 V682	H591-R638 CarbonylContact C-O 3.18Å; H591-R638 VanDerWaalsContact C-O 3.3Å; H591-R638 PolarHBondContact CE1-NH2 2.87Å; H591-R638 VanDerWaalsContact CE1-NH2 3.33Å; H591-R638 PolarHBondContact NE2-NE 3.3Å; H591-R638 PolarHBondContact NE2-NH2 2.91Å; H591-R638 VanDerWaalsContact NE2-NH2 3.11Å; G592-R638 WeakPolarHBondContact CA-O 3.33Å; G592-R638 PolarHBondContact N-O 3.21Å; G592-R638 VanDerWaalsContact N-O 3.15Å; Y636-R638 PolarHBondContact O-N 3.08Å; R638-C652 PolarHBondContact N-O 3.3Å; R638-V682 PolarHBondContact NH1-O 3.4Å; R638-V682 VanDerWaalsContact NH1-O 3.16Å
639	K	95.8	Very high	93.6	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.7	-179.4	-65.5	-71.4	176.8	151	0	109.9	C652 V682 A683 L685 S726 D727 C815	K639-C652 HydrophobicContact CB-CB 4.32Å; K639-C652 PolarHBondContact N-O 3.16Å; K639-C652 PolarHBondContact O-N 3.39Å; K639-V682 HydrophobicContact CG-CG1 4.49Å; K639-A683 WeakPolarHBondContact CE-O 3.45Å; K639-A683 PolarHBondContact NZ-O 2.99Å; K639-L685 HydrophobicContact CB-CB 3.89Å; K639-L685 HydrophobicContact CB-CD2 4.05Å; K639-L685 HydrophobicContact CG-CB 4.39Å; K639-S726 PolarHBondContact NZ-O 3.49Å; K639-D727 IonicContact NZ-OD1 4Å; K639-D727 PolarHBondContact NZ-OD1 2.86Å; K639-C815 PolarHBondContact NZ-SG 3.04Å
640	V	97.2	Very high	94.2	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.3	175.7	58	0	0	0	0	108.2	C594 V602 A604 I611 Y649 V650 V651	C594-V640 WeakPolarHBondContact CB-O 3.33Å; V602-V640 HydrophobicContact CG1-CG1 4.28Å; V602-V640 HydrophobicContact CG1-CG2 3.93Å; V602-V640 WeakPolarHBondContact O-CG1 3.17Å; A604-V640 HydrophobicContact CB-CG1 4.34Å; I611-V640 HydrophobicContact CD1-CB 4.38Å; V640-Y649 HydrophobicContact CG2-CD1 4.43Å; V640-V650 CarbonylContact C-O 3.57Å; V640-V650 VanDerWaalsContact CA-O 3.3Å; V640-V650 WeakPolarHBondContact CA-O 3.31Å; V640-V651 HydrophobicContact CB-CG2 4.47Å; V640-V651 HydrophobicContact CG2-CG2 3.99Å
641	A	96.8	Very high	94.7	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.8	174.9	0	0	0	0	0	109.5	Y649 V650 L685 I687	A641-Y649 CarbonylContact O-C 3.44Å; A641-Y649 WeakPolarHBondContact O-CA 3.42Å; A641-V650 PolarHBondContact N-O 3.28Å; A641-V650 PolarHBondContact O-N 3.36Å; A641-L685 HydrophobicContact CB-CD2 3.76Å; A641-L685 HydrophobicContact CB-CG 3.94Å; A641-I687 HydrophobicContact CB-CD1 4.31Å; A641-I687 HydrophobicContact CB-CG1 4.14Å
642	I	96.5	Very high	95	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.2	176.1	51.9	154.9	0	0	0	111.6	L595 G596 F597 R644 R648 Y649 I687	L595-I642 VanDerWaalsContact O-CD1 3.27Å; L595-I642 WeakPolarHBondContact O-CD1 3.27Å; L595-I642 WeakPolarHBondContact O-CG1 3.44Å; G596-I642 VanDerWaalsContact C-CD1 3.44Å; G596-I642 WeakPolarHBondContact O-CD1 3.31Å; F597-I642 HydrophobicContact CD1-CD1 3.88Å; F597-I642 HydrophobicContact CE1-CB 3.87Å; F597-I642 HydrophobicContact CE1-CD1 4.07Å; F597-I642 HydrophobicContact CE1-CG2 4.09Å; F597-I642 HydrophobicContact CE2-CG2 4.21Å; F597-I642 HydrophobicContact CG-CD1 4.43Å; F597-I642 HydrophobicContact CZ-CB 4.06Å; F597-I642 HydrophobicContact CZ-CG2 3.82Å; I642-R644 HydrophobicContact CD1-CG 4.11Å; I642-R648 WeakPolarHBondContact CA-O 3.5Å; I642-Y649 HydrophobicContact CG2-CD1 3.27Å; I642-Y649 HydrophobicContact CG2-CE1 3.35Å; I642-Y649 HydrophobicContact CG2-CG 4.32Å; I642-I687 WeakPolarHBondContact O-CG1 3.5Å
643	I	96.1	Very high	95.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109.6	168.3	-56.6	172.2	0	0	0	107	Q645 S646 Q647 R648 V650 L663 I687 I693 E708	I643-Q645 VanDerWaalsContact C-N 3.34Å; I643-Q645 HydrophobicContact CG2-CB 4.37Å; I643-Q645 PolarHBondContact O-N 3.48Å; I643-S646 VanDerWaalsContact CG2-OG 3.31Å; I643-S646 WeakPolarHBondContact CG2-OG 3.33Å; I643-Q647 WeakPolarHBondContact O-CA 3.34Å; I643-Q647 PolarHBondContact O-N 3.35Å; I643-R648 PolarHBondContact N-O 2.92Å; I643-R648 PolarHBondContact O-N 3.17Å; I643-V650 HydrophobicContact CD1-CG2 3.54Å; I643-V650 HydrophobicContact CG1-CG2 3.78Å; I643-L663 HydrophobicContact CD1-CD1 4.23Å; I643-I687 HydrophobicContact CG1-CD1 3.84Å; I643-I687 HydrophobicContact CG1-CG1 4.19Å; I643-I693 HydrophobicContact CD1-CD1 4.23Å; I643-I693 HydrophobicContact CD1-CG1 4.11Å; I643-E708 HydrophobicContact CD1-CB 4.2Å; I643-E708 HydrophobicContact CD1-CG 3.92Å
644	R	92.2	Very high	95.3	Very high	141 Å²	141	39 Å²	39	53%	0.532	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.4	-175.8	-75.6	-179.7	174.6	65.8	1.4	112.6	I642 Q647	I642-R644 HydrophobicContact CD1-CG 4.11Å; R644-Q647 PolarHBondContact O-NE2 3.15Å
645	Q	91.9	Very high	95	Very high	115 Å²	115	39.8 Å²	39.8	54%	0.537	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-44.5	-178.4	-63.9	81.7	-7.5	0	0	111.6	I643 Q689	I643-Q645 VanDerWaalsContact C-N 3.34Å; I643-Q645 HydrophobicContact CG2-CB 4.37Å; I643-Q645 PolarHBondContact O-N 3.48Å; Q645-Q689 PolarHBondContact NE2-O 3.43Å
646	S	93.1	Very high	94.4	Very high	37 Å²	37	43.1 Å²	43.1	26%	0.259	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.7	-179.3	59.7	0	0	0	0	114.5	I643 E708	I643-S646 VanDerWaalsContact CG2-OG 3.31Å; I643-S646 WeakPolarHBondContact CG2-OG 3.33Å; S646-E708 WeakPolarHBondContact CB-OE2 3.47Å; S646-E708 PolarHBondContact OG-OE2 3.2Å
647	Q	94	Very high	93.8	Very high	69 Å²	69	48.9 Å²	48.9	32%	0.322	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	45.6	-177.8	-62.6	-76	-62.3	0	0	112.7	F597 I643 R644 R666	F597-Q647 HydrophobicContact CE1-CB 4.26Å; F597-Q647 HydrophobicContact CZ-CB 4.43Å; I643-Q647 WeakPolarHBondContact O-CA 3.34Å; I643-Q647 PolarHBondContact O-N 3.35Å; R644-Q647 PolarHBondContact O-NE2 3.15Å; Q647-R666 PolarHBondContact O-N 3.38Å
648	R	96.2	Very high	93.5	Very high	81 Å²	81	53.9 Å²	53.9	31%	0.306	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.9	-176.8	-70	173	-178.7	-170.3	-4.4	112.5	I642 I643 L663 F664 E708	I642-R648 WeakPolarHBondContact CA-O 3.5Å; I643-R648 PolarHBondContact N-O 2.92Å; I643-R648 PolarHBondContact O-N 3.17Å; R648-L663 HydrophobicContact CB-CD1 3.68Å; R648-L663 HydrophobicContact CB-CG 4.14Å; R648-L663 HydrophobicContact CG-CD1 4.5Å; R648-L663 HydrophobicContact CG-CG 4.49Å; R648-F664 CarbonylContact C-O 3.45Å; R648-F664 VanDerWaalsContact CA-O 3.31Å; R648-F664 WeakPolarHBondContact CA-O 3.35Å; R648-F664 WeakPolarHBondContact CB-O 3.5Å; R648-E708 WeakPolarHBondContact CD-OE1 3.38Å; R648-E708 IonicContact CZ-OE1 3.3Å; R648-E708 IonicContact NE-OE1 3.93Å; R648-E708 IonicContact NH1-OE1 3.81Å; R648-E708 PolarHBondContact NH1-OE1 2.81Å
649	Y	97.4	Very high	93.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.8	171.2	-61.6	-75	0	0	0	110.2	F597 V602 F624 V640 A641 I642 L663 F664 S665	F597-Y649 AromaticContact CE2-CE1 3.9Å; F597-Y649 HydrophobicContact CE2-CE1 3.9Å; F597-Y649 AromaticContact CE2-CE2 4Å; F597-Y649 HydrophobicContact CE2-CE2 4Å; F597-Y649 AromaticContact CE2-CZ 3.56Å; F597-Y649 HydrophobicContact CZ-CE1 4.43Å; V602-Y649 HydrophobicContact CG1-CD1 4.22Å; V602-Y649 HydrophobicContact CG1-CE1 3.99Å; V602-Y649 HydrophobicContact CG2-CE1 3.98Å; F624-Y649 AromaticContact CE1-CD2 3.87Å; F624-Y649 HydrophobicContact CE1-CD2 3.87Å; F624-Y649 AromaticContact CE1-CE2 3.96Å; F624-Y649 HydrophobicContact CE1-CE2 3.96Å; F624-Y649 HydrophobicContact CE1-CG 4.32Å; F624-Y649 AromaticContact CZ-CD2 3.76Å; F624-Y649 HydrophobicContact CZ-CD2 3.76Å; F624-Y649 HydrophobicContact CZ-CE2 4.33Å; F624-Y649 AromaticContact CZ-CG 3.92Å; F624-Y649 HydrophobicContact CZ-CG 3.92Å; V640-Y649 HydrophobicContact CG2-CD1 4.43Å; A641-Y649 CarbonylContact O-C 3.44Å; A641-Y649 WeakPolarHBondContact O-CA 3.42Å; I642-Y649 HydrophobicContact CG2-CD1 3.27Å; I642-Y649 HydrophobicContact CG2-CE1 3.35Å; I642-Y649 HydrophobicContact CG2-CG 4.32Å; Y649-L663 CarbonylContact O-C 3.51Å; Y649-L663 WeakPolarHBondContact O-CA 3.17Å; Y649-F664 PolarHBondContact N-O 2.75Å; Y649-F664 PolarHBondContact O-N 3Å; Y649-S665 VanDerWaalsContact CD2-O 3.27Å; Y649-S665 WeakPolarHBondContact CD2-O 3.47Å
650	V	97.5	Very high	93.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.3	167.8	-179.2	0	0	0	0	107.4	V640 A641 I643 M661 Q662 L663 L685 I693	V640-V650 CarbonylContact C-O 3.57Å; V640-V650 VanDerWaalsContact CA-O 3.3Å; V640-V650 WeakPolarHBondContact CA-O 3.31Å; A641-V650 PolarHBondContact N-O 3.28Å; A641-V650 PolarHBondContact O-N 3.36Å; I643-V650 HydrophobicContact CD1-CG2 3.54Å; I643-V650 HydrophobicContact CG1-CG2 3.78Å; V650-M661 HydrophobicContact CG1-CG 3.63Å; V650-M661 HydrophobicContact CG1-SD 3.92Å; V650-Q662 WeakPolarHBondContact CA-O 3.5Å; V650-L663 HydrophobicContact CG2-CD1 3.75Å; V650-L685 HydrophobicContact CG1-CD2 4.23Å; V650-I693 HydrophobicContact CG1-CD1 4.03Å; V650-I693 HydrophobicContact CG1-CG2 4.36Å; V650-I693 HydrophobicContact CG2-CD1 3.81Å; V650-I693 HydrophobicContact CG2-CG1 4.15Å
651	V	97.6	Very high	93.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	179.1	-178.6	0	0	0	0	108.8	I611 F624 M634 P637 V640 M661 Q662 F664	I611-V651 HydrophobicContact CD1-CG1 4.01Å; I611-V651 HydrophobicContact CD1-CG2 4.16Å; I611-V651 HydrophobicContact CG1-CG1 4.48Å; I611-V651 HydrophobicContact CG1-CG2 3.97Å; F624-V651 HydrophobicContact CE2-CG2 4.37Å; M634-V651 HydrophobicContact SD-CG1 3.99Å; P637-V651 HydrophobicContact CB-CG1 3.92Å; V640-V651 HydrophobicContact CB-CG2 4.47Å; V640-V651 HydrophobicContact CG2-CG2 3.99Å; V651-M661 WeakPolarHBondContact O-CA 3.26Å; V651-Q662 PolarHBondContact N-O 2.91Å; V651-Q662 PolarHBondContact O-N 2.86Å; V651-F664 HydrophobicContact CB-CD2 4.22Å; V651-F664 HydrophobicContact CB-CE2 4.02Å; V651-F664 HydrophobicContact CG2-CD2 3.86Å; V651-F664 HydrophobicContact CG2-CE2 4.06Å
652	C	96.8	Very high	93.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116	170.6	-67.4	0	0	0	0	109.4	R638 K639 R660 V682	R638-C652 PolarHBondContact N-O 3.3Å; K639-C652 HydrophobicContact CB-CB 4.32Å; K639-C652 PolarHBondContact N-O 3.16Å; K639-C652 PolarHBondContact O-N 3.39Å; C652-R660 CarbonylContact C-O 3.58Å; C652-R660 VanDerWaalsContact CA-O 3.3Å; C652-R660 WeakPolarHBondContact CA-O 3.49Å; C652-V682 HydrophobicContact CB-CB 4.21Å; C652-V682 HydrophobicContact CB-CG1 4.24Å; C652-V682 HydrophobicContact CB-CG2 4.24Å
653	D	95.5	Very high	93.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	175.8	177.8	76.8	-23	0	0	0	111.8	M634 W635 P637 G655 R660 Q662	M634-D653 WeakPolarHBondContact CA-OD2 3.29Å; W635-D653 PolarHBondContact N-OD2 3.24Å; W635-D653 WeakPolarHBondContact O-CB 3.46Å; P637-D653 HydrophobicContact CB-CB 4.19Å; D653-G655 PolarHBondContact O-N 3.41Å; D653-R660 PolarHBondContact N-O 3.14Å; D653-R660 PolarHBondContact O-N 3.46Å; D653-R660 VanDerWaalsContact OD1-CB 3.3Å; D653-R660 WeakPolarHBondContact OD1-CB 3.34Å; D653-R660 IonicContact OD1-CZ 2.71Å; D653-R660 IonicContact OD1-NE 2.93Å; D653-R660 PolarHBondContact OD1-NE 3.04Å; D653-R660 IonicContact OD1-NH2 3.98Å; D653-R660 IonicContact OD2-CZ 3.51Å; D653-R660 IonicContact OD2-NE 3Å; D653-R660 PolarHBondContact OD2-NE 3.25Å; D653-R660 IonicContact OD2-NH2 2.75Å; D653-R660 PolarHBondContact OD2-NH2 3.24Å; D653-Q662 PolarHBondContact OD1-NE2 3.45Å; D653-Q662 PolarHBondContact OD2-NE2 2.97Å
654	R	92	Very high	93.4	Very high	157 Å²	157	50.9 Å²	50.9	59%	0.592	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.5	-179.4	-177.1	176.9	178.3	165	2.6	109.2	W635 Y636	W635-R654 WeakPolarHBondContact O-CA 3.36Å; W635-R654 VanDerWaalsContact O-CB 3.31Å; W635-R654 WeakPolarHBondContact O-CB 3.42Å; W635-R654 PolarHBondContact O-N 3.32Å; Y636-R654 PolarHBondContact O-N 3.38Å
655	G	86.5	Confident	93.3	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	21%	0.214	C	C	.	.			trans	-81.5	-176.6	167.4	0	0	0	0	0	112.5	D653 R658	D653-G655 PolarHBondContact O-N 3.41Å; G655-R658 CarbonylContact C-O 3.49Å; G655-R658 WeakPolarHBondContact CA-O 3.49Å; G655-R658 PolarHBondContact N-O 3.2Å; G655-R658 VanDerWaalsContact N-O 3.08Å
656	N	82	Confident	93.4	Very high	128 Å²	128	45.3 Å²	45.3	68%	0.684	21%	0.209	S	C	*	.	S	Bend	trans	-65.2	-47.6	-178.4	-71.3	-17.5	0	0	0	112.3
657	E	83.5	Confident	93.2	Very high	185 Å²	185	47.7 Å²	47.7	86%	0.864	23%	0.225	S	C	*	.	S	Bend	trans	-113.2	-41.6	-179.6	-63.9	178.2	178.9	0	0	112.1
658	R	90.4	Very high	93	Very high	105 Å²	105	45 Å²	45	40%	0.396	22%	0.215	S	C	.	.	S	Bend	trans	-128.5	168.2	-174.8	-63.4	-177.6	-174.9	-108.1	-11.9	110.5	G655 R677 I679 D680	G655-R658 CarbonylContact C-O 3.49Å; G655-R658 WeakPolarHBondContact CA-O 3.49Å; G655-R658 PolarHBondContact N-O 3.2Å; G655-R658 VanDerWaalsContact N-O 3.08Å; R658-R677 VanDerWaalsContact CD-O 3.24Å; R658-R677 WeakPolarHBondContact CD-O 3.31Å; R658-R677 PolarHBondContact NE-O 3.5Å; R658-R677 PolarHBondContact NH1-O 2.86Å; R658-R677 VanDerWaalsContact NH1-O 3.13Å; R658-I679 WeakPolarHBondContact CB-O 3.33Å; R658-D680 CarbonylContact C-O 3.52Å; R658-D680 IonicContact CZ-OD1 3.7Å; R658-D680 IonicContact NE-OD1 3.49Å; R658-D680 PolarHBondContact NE-OD1 3.36Å; R658-D680 IonicContact NH1-OD1 2.9Å; R658-D680 PolarHBondContact NH1-OD1 3Å; R658-D680 IonicContact NH2-OD1 3.65Å
659	S	93.3	Very high	92.7	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.4	173.1	-62.8	0	0	0	0	110.7	I676 D680 I681 V682	S659-I676 WeakPolarHBondContact O-CD1 3.35Å; S659-D680 WeakPolarHBondContact CB-O 3.41Å; S659-D680 PolarHBondContact N-O 3.17Å; S659-D680 PolarHBondContact OG-O 3.43Å; S659-I681 VanDerWaalsContact OG-CA 3.27Å; S659-I681 WeakPolarHBondContact OG-CA 3.36Å; S659-V682 PolarHBondContact OG-N 2.8Å
660	R	94.2	Very high	92.6	Very high	11 Å²	11	50.8 Å²	50.8	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.7	176.3	173.7	-180	65.7	163.7	-0.2	108.4	G628 R629 V630 D631 L633 C652 D653 Q662 R673	G628-R660 PolarHBondContact O-NH2 2.92Å; R629-R660 PolarHBondContact O-NH1 3.48Å; V630-R660 PolarHBondContact O-NH1 3.18Å; D631-R660 IonicContact OD1-NH1 3.58Å; D631-R660 PolarHBondContact OD1-NH1 3.21Å; L633-R660 PolarHBondContact O-NH2 2.92Å; C652-R660 CarbonylContact C-O 3.58Å; C652-R660 VanDerWaalsContact CA-O 3.3Å; C652-R660 WeakPolarHBondContact CA-O 3.49Å; D653-R660 PolarHBondContact N-O 3.14Å; D653-R660 PolarHBondContact O-N 3.46Å; D653-R660 VanDerWaalsContact OD1-CB 3.3Å; D653-R660 WeakPolarHBondContact OD1-CB 3.34Å; D653-R660 IonicContact OD1-CZ 2.71Å; D653-R660 IonicContact OD1-NE 2.93Å; D653-R660 PolarHBondContact OD1-NE 3.04Å; D653-R660 IonicContact OD1-NH2 3.98Å; D653-R660 IonicContact OD2-CZ 3.51Å; D653-R660 IonicContact OD2-NE 3Å; D653-R660 PolarHBondContact OD2-NE 3.25Å; D653-R660 IonicContact OD2-NH2 2.75Å; D653-R660 PolarHBondContact OD2-NH2 3.24Å; R660-Q662 HydrophobicContact CG-CG 3.86Å; R660-R673 HydrophobicContact CG-CG 4.43Å
661	M	97	Very high	92.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.9	177.6	-176.2	-176.7	-71.8	0	0	109	V650 V651 I674 I676 L685 I693 A695	V650-M661 HydrophobicContact CG1-CG 3.63Å; V650-M661 HydrophobicContact CG1-SD 3.92Å; V651-M661 WeakPolarHBondContact O-CA 3.26Å; M661-I674 HydrophobicContact CB-CB 4.18Å; M661-I674 HydrophobicContact CG-CB 3.96Å; M661-I674 HydrophobicContact CG-CD1 4.14Å; M661-I674 HydrophobicContact CG-CG1 4.26Å; M661-I674 PolarHBondContact O-N 2.99Å; M661-I674 HydrophobicContact SD-CB 3.95Å; M661-I674 HydrophobicContact SD-CD1 3.94Å; M661-I674 HydrophobicContact SD-CG1 4.41Å; M661-I674 HydrophobicContact SD-CG2 3.94Å; M661-I676 HydrophobicContact CB-CD1 3.58Å; M661-I676 HydrophobicContact CB-CG1 3.82Å; M661-I676 HydrophobicContact CB-CG2 4.24Å; M661-I676 HydrophobicContact CE-CD1 4.31Å; M661-I676 HydrophobicContact CE-CG2 4.01Å; M661-I676 HydrophobicContact SD-CG2 3.96Å; M661-L685 HydrophobicContact CE-CD1 4Å; M661-I693 HydrophobicContact CE-CG2 3.73Å; M661-I693 HydrophobicContact SD-CD1 3.86Å; M661-I693 HydrophobicContact SD-CG2 3.99Å; M661-A695 HydrophobicContact CE-CB 4.08Å
662	Q	96.1	Very high	92.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.3	-174.9	-58.4	-171	84.2	0	0	110.2	L633 V650 V651 D653 R660 F664 F670	L633-Q662 PolarHBondContact O-NE2 2.83Å; V650-Q662 WeakPolarHBondContact CA-O 3.5Å; V651-Q662 PolarHBondContact N-O 2.91Å; V651-Q662 PolarHBondContact O-N 2.86Å; D653-Q662 PolarHBondContact OD1-NE2 3.45Å; D653-Q662 PolarHBondContact OD2-NE2 2.97Å; R660-Q662 HydrophobicContact CG-CG 3.86Å; Q662-F664 HydrophobicContact CB-CD2 4.34Å; Q662-F664 HydrophobicContact CB-CE2 3.6Å; Q662-F664 HydrophobicContact CB-CZ 4.22Å; Q662-F670 HydrophobicContact CB-CE2 4.31Å
663	L	96.6	Very high	91.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.4	-179.1	-167.6	69.2	0	0	0	109.4	I643 R648 Y649 V650 V671 R672 I674 E708	I643-L663 HydrophobicContact CD1-CD1 4.23Å; R648-L663 HydrophobicContact CB-CD1 3.68Å; R648-L663 HydrophobicContact CB-CG 4.14Å; R648-L663 HydrophobicContact CG-CD1 4.5Å; R648-L663 HydrophobicContact CG-CG 4.49Å; Y649-L663 CarbonylContact O-C 3.51Å; Y649-L663 WeakPolarHBondContact O-CA 3.17Å; V650-L663 HydrophobicContact CG2-CD1 3.75Å; L663-V671 HydrophobicContact CB-CB 4.4Å; L663-V671 HydrophobicContact CD2-CB 4.4Å; L663-V671 HydrophobicContact CD2-CG1 4.25Å; L663-V671 HydrophobicContact CG-CB 4.38Å; L663-V671 WeakPolarHBondContact O-CB 3.4Å; L663-V671 PolarHBondContact O-N 3.31Å; L663-R672 HydrophobicContact CB-CG 4.17Å; L663-R672 HydrophobicContact CD2-CG 4.18Å; L663-R672 PolarHBondContact N-O 3.15Å; L663-R672 PolarHBondContact O-N 2.93Å; L663-I674 HydrophobicContact CB-CD1 4.38Å; L663-I674 HydrophobicContact CB-CG1 4.42Å; L663-E708 HydrophobicContact CD1-CG 4.37Å; L663-E708 HydrophobicContact CD2-CG 3.77Å; L663-E708 WeakPolarHBondContact CD2-OE1 3.36Å
664	F	96.8	Very high	91.9	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.8	178.4	-63.9	-95.8	0	0	0	110.4	F624 M634 R648 Y649 V651 Q662 G668 H669 F670	F624-F664 HydrophobicContact CD2-CD1 4.13Å; F624-F664 HydrophobicContact CD2-CG 4.32Å; F624-F664 HydrophobicContact CE2-CB 4Å; F624-F664 HydrophobicContact CE2-CD1 4.11Å; F624-F664 HydrophobicContact CE2-CD2 4.14Å; F624-F664 AromaticContact CE2-CG 3.83Å; F624-F664 HydrophobicContact CE2-CG 3.83Å; M634-F664 HydrophobicContact CG-CZ 4.36Å; R648-F664 CarbonylContact C-O 3.45Å; R648-F664 VanDerWaalsContact CA-O 3.31Å; R648-F664 WeakPolarHBondContact CA-O 3.35Å; R648-F664 WeakPolarHBondContact CB-O 3.5Å; Y649-F664 PolarHBondContact N-O 2.75Å; Y649-F664 PolarHBondContact O-N 3Å; V651-F664 HydrophobicContact CB-CD2 4.22Å; V651-F664 HydrophobicContact CB-CE2 4.02Å; V651-F664 HydrophobicContact CG2-CD2 3.86Å; V651-F664 HydrophobicContact CG2-CE2 4.06Å; Q662-F664 HydrophobicContact CB-CD2 4.34Å; Q662-F664 HydrophobicContact CB-CE2 3.6Å; Q662-F664 HydrophobicContact CB-CZ 4.22Å; F664-G668 WeakPolarHBondContact CD1-O 3.32Å; F664-H669 CarbonylContact C-O 3.57Å; F664-H669 VanDerWaalsContact CA-O 3.23Å; F664-H669 WeakPolarHBondContact CA-O 3.48Å; F664-F670 HydrophobicContact CD1-CB 4.19Å; F664-F670 HydrophobicContact CE1-CB 3.98Å; F664-F670 HydrophobicContact CE1-CD2 4.16Å; F664-F670 HydrophobicContact CZ-CD2 4.26Å
665	S	91.9	Very high	91.7	Very high	26 Å²	26	57.5 Å²	57.5	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	167.2	174.1	73.3	0	0	0	0	111.1	Y649 S667 G668 H669	Y649-S665 VanDerWaalsContact CD2-O 3.27Å; Y649-S665 WeakPolarHBondContact CD2-O 3.47Å; S665-S667 PolarHBondContact O-N 2.79Å; S665-S667 VanDerWaalsContact O-N 3.1Å; S665-S667 PolarHBondContact OG-N 3.1Å; S665-S667 PolarHBondContact OG-OG 3.23Å; S665-G668 PolarHBondContact O-N 3.28Å; S665-G668 PolarHBondContact OG-N 2.77Å; S665-H669 PolarHBondContact N-O 3.47Å; S665-H669 WeakPolarHBondContact OG-CB 3.35Å; S665-H669 PolarHBondContact OG-N 2.88Å
666	R	92.4	Very high	91.9	Very high	114 Å²	114	57.1 Å²	57.1	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-26.7	171.3	-174.9	165.1	177.8	178.7	-6	113.8	F597 E598 Q647 G668	F597-R666 HydrophobicContact CD2-CG 3.91Å; F597-R666 HydrophobicContact CE2-CB 4.16Å; F597-R666 HydrophobicContact CE2-CG 3.76Å; E598-R666 IonicContact OE1-NH2 3.19Å; E598-R666 PolarHBondContact OE1-NH2 3.48Å; Q647-R666 PolarHBondContact O-N 3.38Å; R666-G668 VanDerWaalsContact C-N 3.35Å
667	S	89.1	Confident	92	Very high	86 Å²	86	60.7 Å²	60.7	60%	0.601	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.4	175.5	55.4	0	0	0	0	114	S665 H669	S665-S667 PolarHBondContact O-N 2.79Å; S665-S667 VanDerWaalsContact O-N 3.1Å; S665-S667 PolarHBondContact OG-N 3.1Å; S665-S667 PolarHBondContact OG-OG 3.23Å; S667-H669 PolarHBondContact OG-ND1 2.87Å
668	G	90.2	Very high	92.2	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	25%	0.252	C	S	.	.	S	Bend	trans	82.2	10	178.8	0	0	0	0	0	115.2	F624 F664 S665 R666	F624-G668 VanDerWaalsContact CG-CA 3.46Å; F664-G668 WeakPolarHBondContact CD1-O 3.32Å; S665-G668 PolarHBondContact O-N 3.28Å; S665-G668 PolarHBondContact OG-N 2.77Å; R666-G668 VanDerWaalsContact C-N 3.35Å
669	H	89	Confident	92.3	Very high	128 Å²	128	49.8 Å²	49.8	59%	0.593	23%	0.233	S	C	*	.			trans	-78.4	137.8	175.9	-66.1	71.3	0	0	0	110.1	F664 S665 S667 V671	F664-H669 CarbonylContact C-O 3.57Å; F664-H669 VanDerWaalsContact CA-O 3.23Å; F664-H669 WeakPolarHBondContact CA-O 3.48Å; S665-H669 PolarHBondContact N-O 3.47Å; S665-H669 WeakPolarHBondContact OG-CB 3.35Å; S665-H669 PolarHBondContact OG-N 2.88Å; S667-H669 PolarHBondContact OG-ND1 2.87Å; H669-V671 PolarHBondContact O-N 2.92Å
670	F	95.6	Very high	92.3	Very high	80 Å²	80	51 Å²	51	35%	0.351	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.2	175.1	176.3	-112.5	0	0	0	110.8	D631 Q662 F664 R672 R673	D631-F670 HydrophobicContact CB-CE1 4.26Å; D631-F670 HydrophobicContact CB-CE2 4.37Å; D631-F670 HydrophobicContact CB-CZ 3.73Å; Q662-F670 HydrophobicContact CB-CE2 4.31Å; F664-F670 HydrophobicContact CD1-CB 4.19Å; F664-F670 HydrophobicContact CE1-CB 3.98Å; F664-F670 HydrophobicContact CE1-CD2 4.16Å; F664-F670 HydrophobicContact CZ-CD2 4.26Å; F670-R672 WeakPolarHBondContact CE2-O 3.41Å; F670-R673 HydrophobicContact CZ-CB 4.48Å
671	V	91.1	Very high	92.2	Very high	55 Å²	55	53.7 Å²	53.7	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-57.7	174.9	-179.2	0	0	0	0	109.5	L663 H669	L663-V671 HydrophobicContact CB-CB 4.4Å; L663-V671 HydrophobicContact CD2-CB 4.4Å; L663-V671 HydrophobicContact CD2-CG1 4.25Å; L663-V671 HydrophobicContact CG-CB 4.38Å; L663-V671 WeakPolarHBondContact O-CB 3.4Å; L663-V671 PolarHBondContact O-N 3.31Å; H669-V671 PolarHBondContact O-N 2.92Å
672	R	93.2	Very high	92.1	Very high	69 Å²	69	53.8 Å²	53.8	26%	0.26	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	164.8	-177.8	66.1	-175.7	-145.1	89	17	112	L663 F670 E708 E709	L663-R672 HydrophobicContact CB-CG 4.17Å; L663-R672 HydrophobicContact CD2-CG 4.18Å; L663-R672 PolarHBondContact N-O 3.15Å; L663-R672 PolarHBondContact O-N 2.93Å; F670-R672 WeakPolarHBondContact CE2-O 3.41Å; R672-E708 PolarHBondContact NE-O 2.92Å; R672-E708 PolarHBondContact NH2-O 2.77Å; R672-E709 VanDerWaalsContact CZ-O 3.26Å; R672-E709 PolarHBondContact NH1-O 3.06Å; R672-E709 PolarHBondContact NH2-O 2.89Å
673	R	94.1	Very high	92	Very high	119 Å²	119	54.1 Å²	54.1	45%	0.449	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.6	166.6	178.1	177.7	168.8	-160.7	1.7	110.7	D631 R660 F670	D631-R673 WeakPolarHBondContact OD1-CD 3.23Å; D631-R673 WeakPolarHBondContact OD2-CB 3.35Å; D631-R673 WeakPolarHBondContact OD2-CD 3.46Å; R660-R673 HydrophobicContact CG-CG 4.43Å; F670-R673 HydrophobicContact CZ-CB 4.48Å
674	I	93.8	Very high	91.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.5	173.9	-50.6	-167.8	0	0	0	108.6	M661 L663 I676 I693 V706	M661-I674 HydrophobicContact CB-CB 4.18Å; M661-I674 HydrophobicContact CG-CB 3.96Å; M661-I674 HydrophobicContact CG-CD1 4.14Å; M661-I674 HydrophobicContact CG-CG1 4.26Å; M661-I674 PolarHBondContact O-N 2.99Å; M661-I674 HydrophobicContact SD-CB 3.95Å; M661-I674 HydrophobicContact SD-CD1 3.94Å; M661-I674 HydrophobicContact SD-CG1 4.41Å; M661-I674 HydrophobicContact SD-CG2 3.94Å; L663-I674 HydrophobicContact CB-CD1 4.38Å; L663-I674 HydrophobicContact CB-CG1 4.42Å; I674-I676 HydrophobicContact CG2-CG2 4.35Å; I674-I676 PolarHBondContact O-N 3.32Å; I674-I676 VanDerWaalsContact O-N 3.08Å; I674-I693 HydrophobicContact CD1-CD1 3.41Å; I674-I693 VanDerWaalsContact CD1-CD1 3.41Å; I674-V706 HydrophobicContact CG2-CG1 4.3Å
675	P	88.4	Confident	91.9	Very high	58 Å²	58	54.8 Å²	54.8	38%	0.377	26%	0.26	S	S	.	.			trans	-71.2	102.3	-178.8	28.2	-35	0	0	0	112
676	I	90.3	Very high	92.1	Very high	7 Å²	7	54 Å²	54	4%	0.036	26%	0.255	C	S	.	.			trans	-115.7	59.1	176.8	54	154.6	0	0	0	112.4	S659 M661 I674 Y678 I679 V682	S659-I676 WeakPolarHBondContact O-CD1 3.35Å; M661-I676 HydrophobicContact CB-CD1 3.58Å; M661-I676 HydrophobicContact CB-CG1 3.82Å; M661-I676 HydrophobicContact CB-CG2 4.24Å; M661-I676 HydrophobicContact CE-CD1 4.31Å; M661-I676 HydrophobicContact CE-CG2 4.01Å; M661-I676 HydrophobicContact SD-CG2 3.96Å; I674-I676 HydrophobicContact CG2-CG2 4.35Å; I674-I676 PolarHBondContact O-N 3.32Å; I674-I676 VanDerWaalsContact O-N 3.08Å; I676-Y678 PolarHBondContact O-N 3.18Å; I676-Y678 VanDerWaalsContact O-N 3.16Å; I676-I679 HydrophobicContact CB-CD1 4.25Å; I676-I679 HydrophobicContact CD1-CB 4.41Å; I676-I679 HydrophobicContact CD1-CD1 4.47Å; I676-I679 HydrophobicContact CG2-CD1 4.34Å; I676-I679 PolarHBondContact O-N 3.32Å; I676-V682 HydrophobicContact CD1-CG2 4.29Å
677	R	85.6	Confident	92.2	Very high	203 Å²	203	50.2 Å²	50.2	77%	0.766	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.3	-173.6	-62	-176.1	-177	179.9	0.7	114.3	R658	R658-R677 VanDerWaalsContact CD-O 3.24Å; R658-R677 WeakPolarHBondContact CD-O 3.31Å; R658-R677 PolarHBondContact NE-O 3.5Å; R658-R677 PolarHBondContact NH1-O 2.86Å; R658-R677 VanDerWaalsContact NH1-O 3.13Å
678	Y	87.9	Confident	92.5	Very high	61 Å²	61	46.5 Å²	46.5	24%	0.239	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.8	-175.5	44.3	-98.3	0	0	0	113.8	I676 F704 V706 L712	I676-Y678 PolarHBondContact O-N 3.18Å; I676-Y678 VanDerWaalsContact O-N 3.16Å; Y678-F704 HydrophobicContact CD2-CB 4.37Å; Y678-F704 AromaticContact CD2-CD1 3.16Å; Y678-F704 HydrophobicContact CD2-CD1 3.16Å; Y678-F704 HydrophobicContact CD2-CD2 4.25Å; Y678-F704 AromaticContact CD2-CE1 3.32Å; Y678-F704 HydrophobicContact CD2-CE1 3.32Å; Y678-F704 HydrophobicContact CD2-CE2 4.35Å; Y678-F704 AromaticContact CD2-CG 3.68Å; Y678-F704 HydrophobicContact CD2-CG 3.68Å; Y678-F704 AromaticContact CD2-CZ 3.92Å; Y678-F704 HydrophobicContact CD2-CZ 3.92Å; Y678-F704 HydrophobicContact CE2-CB 3.86Å; Y678-F704 AromaticContact CE2-CD1 3.41Å; Y678-F704 HydrophobicContact CE2-CD1 3.41Å; Y678-F704 VanDerWaalsContact CE2-CD1 3.41Å; Y678-F704 HydrophobicContact CE2-CE1 4.07Å; Y678-F704 AromaticContact CE2-CG 3.69Å; Y678-F704 HydrophobicContact CE2-CG 3.69Å; Y678-F704 HydrophobicContact CG-CD1 4.15Å; Y678-F704 AromaticContact CG-CE1 3.97Å; Y678-F704 HydrophobicContact CG-CE1 3.97Å; Y678-V706 HydrophobicContact CE2-CG2 4.28Å; Y678-V706 WeakPolarHBondContact OH-CG2 3.47Å; Y678-L712 HydrophobicContact CD1-CD2 4.34Å; Y678-L712 HydrophobicContact CE1-CB 4.19Å; Y678-L712 HydrophobicContact CE1-CD1 4.47Å; Y678-L712 HydrophobicContact CE1-CD2 4.18Å; Y678-L712 HydrophobicContact CE2-CD1 3.96Å
679	I	91.9	Very high	92.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.			trans	-109.2	123.4	177.8	-57.9	173.8	0	0	0	109.4	R658 I676 V682 A695 D697 F704	R658-I679 WeakPolarHBondContact CB-O 3.33Å; I676-I679 HydrophobicContact CB-CD1 4.25Å; I676-I679 HydrophobicContact CD1-CB 4.41Å; I676-I679 HydrophobicContact CD1-CD1 4.47Å; I676-I679 HydrophobicContact CG2-CD1 4.34Å; I676-I679 PolarHBondContact O-N 3.32Å; I679-V682 HydrophobicContact CG2-CG2 3.67Å; I679-A695 HydrophobicContact CD1-CB 3.65Å; I679-D697 HydrophobicContact CG2-CB 4.05Å; I679-F704 HydrophobicContact CD1-CB 4Å; I679-F704 HydrophobicContact CD1-CD2 3.93Å; I679-F704 HydrophobicContact CD1-CG 4.11Å; I679-F704 HydrophobicContact CG1-CB 4.41Å; I679-F704 HydrophobicContact CG1-CD2 3.54Å; I679-F704 HydrophobicContact CG1-CE2 3.88Å; I679-F704 HydrophobicContact CG1-CG 3.96Å
680	D	92	Very high	92.7	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.219	23%	0.227	C	C	.	.	S	Bend	trans	-80.8	-59.5	175.7	-67.8	-36.1	0	0	0	111	R658 S659 D697 V699	R658-D680 CarbonylContact C-O 3.52Å; R658-D680 IonicContact CZ-OD1 3.7Å; R658-D680 IonicContact NE-OD1 3.49Å; R658-D680 PolarHBondContact NE-OD1 3.36Å; R658-D680 IonicContact NH1-OD1 2.9Å; R658-D680 PolarHBondContact NH1-OD1 3Å; R658-D680 IonicContact NH2-OD1 3.65Å; S659-D680 WeakPolarHBondContact CB-O 3.41Å; S659-D680 PolarHBondContact N-O 3.17Å; S659-D680 PolarHBondContact OG-O 3.43Å; D680-D697 PolarHBondContact N-OD1 3.41Å; D680-V699 HydrophobicContact CB-CB 3.9Å; D680-V699 HydrophobicContact CB-CG2 3.67Å
681	I	93.2	Very high	92.6	Very high	67 Å²	67	45.9 Å²	45.9	34%	0.344	21%	0.213	S	C	.	.	S	Bend	trans	-131.3	105.9	-174.1	-63.2	-173.9	0	0	0	109.4	S659 A683 D697 S698 V699	S659-I681 VanDerWaalsContact OG-CA 3.27Å; S659-I681 WeakPolarHBondContact OG-CA 3.36Å; I681-A683 PolarHBondContact O-N 3.45Å; I681-D697 PolarHBondContact N-OD1 2.77Å; I681-D697 WeakPolarHBondContact O-CA 3.43Å; I681-S698 PolarHBondContact O-N 3.17Å; I681-V699 HydrophobicContact CB-CG2 4.03Å; I681-V699 HydrophobicContact CD1-CG2 3.71Å; I681-V699 HydrophobicContact CG1-CG2 3.72Å
682	V	95.5	Very high	92.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	106.6	174.2	-179.8	0	0	0	0	109.4	R638 K639 C652 S659 I676 I679 G684 L685 A695 I696	R638-V682 PolarHBondContact NH1-O 3.4Å; R638-V682 VanDerWaalsContact NH1-O 3.16Å; K639-V682 HydrophobicContact CG-CG1 4.49Å; C652-V682 HydrophobicContact CB-CB 4.21Å; C652-V682 HydrophobicContact CB-CG1 4.24Å; C652-V682 HydrophobicContact CB-CG2 4.24Å; S659-V682 PolarHBondContact OG-N 2.8Å; I676-V682 HydrophobicContact CD1-CG2 4.29Å; I679-V682 HydrophobicContact CG2-CG2 3.67Å; V682-G684 WeakPolarHBondContact CG1-O 3.42Å; V682-L685 HydrophobicContact CG1-CB 4.28Å; V682-L685 HydrophobicContact CG1-CD1 4.5Å; V682-A695 HydrophobicContact CG1-CB 4.45Å; V682-I696 CarbonylContact C-O 3.41Å; V682-I696 WeakPolarHBondContact CA-O 3.46Å
683	A	93.6	Very high	93	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-45.2	175.3	0	0	0	0	0	111.8	K639 I681 I696 P725	K639-A683 WeakPolarHBondContact CE-O 3.45Å; K639-A683 PolarHBondContact NZ-O 2.99Å; I681-A683 PolarHBondContact O-N 3.45Å; A683-I696 PolarHBondContact N-O 2.85Å; A683-P725 HydrophobicContact CB-CB 4.34Å; A683-P725 HydrophobicContact CB-CG 4.44Å; A683-P725 WeakPolarHBondContact CB-O 3.24Å
684	G	94	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.9	179.3	0	0	0	0	0	110.7	V682 A695 I696	V682-G684 WeakPolarHBondContact CG1-O 3.42Å; G684-A695 WeakPolarHBondContact O-CA 3.45Å; G684-I696 PolarHBondContact O-N 3.26Å
685	L	96.2	Very high	93.3	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.9	177.1	-171.7	70.1	0	0	0	109.2	K639 A641 V650 M661 V682 I693 V694 A695	K639-L685 HydrophobicContact CB-CB 3.89Å; K639-L685 HydrophobicContact CB-CD2 4.05Å; K639-L685 HydrophobicContact CG-CB 4.39Å; A641-L685 HydrophobicContact CB-CD2 3.76Å; A641-L685 HydrophobicContact CB-CG 3.94Å; V650-L685 HydrophobicContact CG1-CD2 4.23Å; M661-L685 HydrophobicContact CE-CD1 4Å; V682-L685 HydrophobicContact CG1-CB 4.28Å; V682-L685 HydrophobicContact CG1-CD1 4.5Å; L685-I693 HydrophobicContact CD1-CG2 3.52Å; L685-V694 WeakPolarHBondContact CA-O 3.3Å; L685-A695 HydrophobicContact CD1-CB 4.11Å
686	A	96.1	Very high	93.6	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.6	174.8	0	0	0	0	0	110.6	V694 V728 I730	A686-V694 PolarHBondContact N-O 2.98Å; A686-V694 PolarHBondContact O-N 2.84Å; A686-V728 HydrophobicContact CB-CG1 3.83Å; A686-I730 HydrophobicContact CB-CD1 3.71Å; A686-I730 HydrophobicContact CB-CG1 4.01Å
687	I	96.1	Very high	93.8	Very high	34 Å²	34	33.8 Å²	33.8	17%	0.174	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.3	175.4	-55.6	-55.3	0	0	0	108.2	A641 I642 I643 H692 I693	A641-I687 HydrophobicContact CB-CD1 4.31Å; A641-I687 HydrophobicContact CB-CG1 4.14Å; I642-I687 WeakPolarHBondContact O-CG1 3.5Å; I643-I687 HydrophobicContact CG1-CD1 3.84Å; I643-I687 HydrophobicContact CG1-CG1 4.19Å; I687-H692 WeakPolarHBondContact CA-O 3.43Å; I687-I693 HydrophobicContact CD1-CB 4.14Å; I687-I693 HydrophobicContact CD1-CG1 3.78Å; I687-I693 HydrophobicContact CD1-CG2 4.24Å
688	N	94.4	Very high	94.1	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	13%	0.131	C	C	.	.			trans	-81.9	172.8	177.2	73.9	5	0	0	0	111.8	H690 G691 H692 V694 I730	N688-H690 PolarHBondContact O-N 3.46Å; N688-H690 VanDerWaalsContact O-N 3.12Å; N688-H690 WeakPolarHBondContact OD1-CA 3.46Å; N688-H690 WeakPolarHBondContact OD1-CB 3.38Å; N688-H690 PolarHBondContact OD1-N 3.28Å; N688-G691 PolarHBondContact O-N 3.44Å; N688-G691 PolarHBondContact OD1-N 3.25Å; N688-H692 PolarHBondContact N-O 2.8Å; N688-H692 WeakPolarHBondContact OD1-CA 3.38Å; N688-H692 WeakPolarHBondContact OD1-CB 3.37Å; N688-H692 PolarHBondContact OD1-N 3.12Å; N688-H692 PolarHBondContact OD1-O 2.74Å; N688-V694 HydrophobicContact CB-CG2 4.13Å; N688-I730 HydrophobicContact CB-CD1 4.2Å
689	Q	91.2	Very high	94.2	Very high	104 Å²	104	27 Å²	27	49%	0.486	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.3	177.7	63.8	-169.6	-13.9	0	0	114.4	Q645 G691 G732	Q645-Q689 PolarHBondContact NE2-O 3.43Å; Q689-G691 VanDerWaalsContact C-N 3.32Å; Q689-G732 PolarHBondContact NE2-O 2.98Å
690	H	92.2	Very high	94.1	Very high	97 Å²	97	29.4 Å²	29.4	45%	0.449	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.4	177.7	-54.1	111.3	0	0	0	113.2	N688 E750	N688-H690 PolarHBondContact O-N 3.46Å; N688-H690 VanDerWaalsContact O-N 3.12Å; N688-H690 WeakPolarHBondContact OD1-CA 3.46Å; N688-H690 WeakPolarHBondContact OD1-CB 3.38Å; N688-H690 PolarHBondContact OD1-N 3.28Å; H690-E750 IonicContact CE1-OE1 3.38Å; H690-E750 IonicContact ND1-OE1 3.04Å
691	G	93.1	Very high	94.2	Very high	7 Å²	7	28.1 Å²	28.1	7%	0.072	16%	0.156	C	C	.	.	S	Bend	trans	84.2	9.1	-175.6	0	0	0	0	0	114.2	N688 Q689	N688-G691 PolarHBondContact O-N 3.44Å; N688-G691 PolarHBondContact OD1-N 3.25Å; Q689-G691 VanDerWaalsContact C-N 3.32Å
692	H	96.1	Very high	94.3	Very high	51 Å²	51	25.3 Å²	25.3	24%	0.236	14%	0.142	C	C	.	.			trans	-82.2	146.5	175.2	-48.6	149.8	0	0	0	111.1	I687 N688 V705 V706 I713	I687-H692 WeakPolarHBondContact CA-O 3.43Å; N688-H692 PolarHBondContact N-O 2.8Å; N688-H692 WeakPolarHBondContact OD1-CA 3.38Å; N688-H692 WeakPolarHBondContact OD1-CB 3.37Å; N688-H692 PolarHBondContact OD1-N 3.12Å; N688-H692 PolarHBondContact OD1-O 2.74Å; H692-V705 HydrophobicContact CB-CG1 3.7Å; H692-V706 CarbonylContact C-O 3.56Å; H692-V706 WeakPolarHBondContact CA-O 3.39Å; H692-I713 HydrophobicContact CB-CD1 3.98Å; H692-I713 WeakPolarHBondContact CD2-CD1 3.43Å; H692-I713 VanDerWaalsContact CE1-CD1 3.41Å; H692-I713 WeakPolarHBondContact CE1-CD1 3.49Å; H692-I713 VanDerWaalsContact ND1-CD1 3.33Å; H692-I713 WeakPolarHBondContact ND1-CD1 3.17Å; H692-I713 WeakPolarHBondContact NE2-CD1 3.4Å
693	I	97.3	Very high	94.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.8	179.8	-54.3	165.4	0	0	0	108.4	I643 V650 M661 I674 L685 I687 V705 V706	I643-I693 HydrophobicContact CD1-CD1 4.23Å; I643-I693 HydrophobicContact CD1-CG1 4.11Å; V650-I693 HydrophobicContact CG1-CD1 4.03Å; V650-I693 HydrophobicContact CG1-CG2 4.36Å; V650-I693 HydrophobicContact CG2-CD1 3.81Å; V650-I693 HydrophobicContact CG2-CG1 4.15Å; M661-I693 HydrophobicContact CE-CG2 3.73Å; M661-I693 HydrophobicContact SD-CD1 3.86Å; M661-I693 HydrophobicContact SD-CG2 3.99Å; I674-I693 HydrophobicContact CD1-CD1 3.41Å; I674-I693 VanDerWaalsContact CD1-CD1 3.41Å; L685-I693 HydrophobicContact CD1-CG2 3.52Å; I687-I693 HydrophobicContact CD1-CB 4.14Å; I687-I693 HydrophobicContact CD1-CG1 3.78Å; I687-I693 HydrophobicContact CD1-CG2 4.24Å; I693-V705 CarbonylContact O-C 3.58Å; I693-V705 WeakPolarHBondContact O-CA 3.14Å; I693-V706 PolarHBondContact N-O 3.46Å; I693-V706 PolarHBondContact O-N 3.39Å
694	V	97	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111	174.3	-175.5	0	0	0	0	108.1	L685 A686 N688 V703 F704 V705 I730 Y735	L685-V694 WeakPolarHBondContact CA-O 3.3Å; A686-V694 PolarHBondContact N-O 2.98Å; A686-V694 PolarHBondContact O-N 2.84Å; N688-V694 HydrophobicContact CB-CG2 4.13Å; V694-V703 HydrophobicContact CG1-CG1 3.66Å; V694-F704 CarbonylContact C-O 3.48Å; V694-F704 WeakPolarHBondContact CA-O 3.47Å; V694-V705 HydrophobicContact CG2-CG1 4.4Å; V694-V705 HydrophobicContact CG2-CG2 4.23Å; V694-I730 HydrophobicContact CB-CD1 3.72Å; V694-I730 HydrophobicContact CG1-CD1 4.13Å; V694-I730 HydrophobicContact CG2-CD1 3.52Å; V694-Y735 HydrophobicContact CG1-CD2 4.43Å; V694-Y735 HydrophobicContact CG1-CE2 4.29Å
695	A	96.7	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.9	-179.9	0	0	0	0	0	110.2	M661 I679 V682 G684 L685 F704	M661-A695 HydrophobicContact CE-CB 4.08Å; I679-A695 HydrophobicContact CD1-CB 3.65Å; V682-A695 HydrophobicContact CG1-CB 4.45Å; G684-A695 WeakPolarHBondContact O-CA 3.45Å; L685-A695 HydrophobicContact CD1-CB 4.11Å; A695-F704 PolarHBondContact N-O 3.47Å; A695-F704 PolarHBondContact O-N 3.23Å
696	I	95.8	Very high	94.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130	179.4	-52.9	-174	0	0	0	109.3	V682 A683 G684 S702 V703 P725 V728 I737	V682-I696 CarbonylContact C-O 3.41Å; V682-I696 WeakPolarHBondContact CA-O 3.46Å; A683-I696 PolarHBondContact N-O 2.85Å; G684-I696 PolarHBondContact O-N 3.26Å; I696-S702 WeakPolarHBondContact CA-O 3.3Å; I696-V703 HydrophobicContact CD1-CG2 4.41Å; I696-V703 HydrophobicContact CG1-CG2 4.23Å; I696-P725 HydrophobicContact CG2-CB 3.59Å; I696-P725 HydrophobicContact CG2-CG 3.72Å; I696-V728 HydrophobicContact CD1-CB 3.48Å; I696-V728 VanDerWaalsContact CD1-CB 3.48Å; I696-V728 HydrophobicContact CD1-CG1 4.03Å; I696-V728 HydrophobicContact CD1-CG2 3.77Å; I696-V728 HydrophobicContact CG1-CB 4.32Å; I696-V728 HydrophobicContact CG1-CG1 4.36Å; I696-I737 HydrophobicContact CD1-CB 4.13Å; I696-I737 HydrophobicContact CD1-CD1 3.7Å; I696-I737 HydrophobicContact CD1-CG1 3.62Å; I696-I737 HydrophobicContact CD1-CG2 3.47Å; I696-I737 VanDerWaalsContact CD1-CG2 3.47Å
697	D	94.6	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.1	172.7	-176.1	29.6	0	0	0	111.6	I679 D680 I681 V699 S700 P701 S702 F704 P725	I679-D697 HydrophobicContact CG2-CB 4.05Å; D680-D697 PolarHBondContact N-OD1 3.41Å; I681-D697 PolarHBondContact N-OD1 2.77Å; I681-D697 WeakPolarHBondContact O-CA 3.43Å; D697-V699 PolarHBondContact OD1-N 3.44Å; D697-S700 WeakPolarHBondContact CB-O 3.21Å; D697-S700 PolarHBondContact OD2-N 2.9Å; D697-S700 PolarHBondContact OD2-OG 3.29Å; D697-P701 WeakPolarHBondContact O-CA 3.31Å; D697-S702 PolarHBondContact N-O 3.44Å; D697-F704 HydrophobicContact CB-CE2 4.06Å; D697-P725 VanDerWaalsContact O-CG 3.29Å; D697-P725 WeakPolarHBondContact O-CG 3.33Å
698	S	90.9	Very high	94.3	Very high	35 Å²	35	24.4 Å²	24.4	25%	0.245	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-28.3	176.8	-164.2	0	0	0	0	113.6	I681	I681-S698 PolarHBondContact O-N 3.17Å
699	V	90.3	Very high	94.1	Very high	86 Å²	86	29.7 Å²	29.7	52%	0.521	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-50.2	-173.3	178.8	0	0	0	0	110.2	D680 I681 D697	D680-V699 HydrophobicContact CB-CB 3.9Å; D680-V699 HydrophobicContact CB-CG2 3.67Å; I681-V699 HydrophobicContact CB-CG2 4.03Å; I681-V699 HydrophobicContact CD1-CG2 3.71Å; I681-V699 HydrophobicContact CG1-CG2 3.72Å; D697-V699 PolarHBondContact OD1-N 3.44Å
700	S	90.4	Very high	94.1	Very high	51 Å²	51	25.1 Å²	25.1	36%	0.357	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	97.5	167.3	59.3	0	0	0	0	108.5	D697 S702	D697-S700 WeakPolarHBondContact CB-O 3.21Å; D697-S700 PolarHBondContact OD2-N 2.9Å; D697-S700 PolarHBondContact OD2-OG 3.29Å; S700-S702 WeakPolarHBondContact O-CB 3.31Å; S700-S702 PolarHBondContact O-N 3.17Å; S700-S702 PolarHBondContact O-OG 2.71Å
701	P	94.8	Very high	94.1	Very high	15 Å²	15	25.5 Å²	25.5	10%	0.097	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	97.7	-175.8	-28.6	35.8	0	0	0	112.1	D697 D717 C718 S719 M722 P725	D697-P701 WeakPolarHBondContact O-CA 3.31Å; P701-D717 VanDerWaalsContact O-OD1 3.14Å; P701-C718 CarbonylContact O-C 3.54Å; P701-C718 VanDerWaalsContact O-CA 3.3Å; P701-C718 WeakPolarHBondContact O-CA 3.28Å; P701-C718 VanDerWaalsContact O-CB 3.32Å; P701-C718 WeakPolarHBondContact O-CB 3.43Å; P701-C718 PolarHBondContact O-N 3.4Å; P701-S719 PolarHBondContact O-N 2.92Å; P701-M722 HydrophobicContact CB-CB 4.32Å; P701-M722 HydrophobicContact CB-CG 4.49Å; P701-P725 HydrophobicContact CB-CG 4.31Å
702	S	95.2	Very high	94.1	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145	-171.2	-71.7	0	0	0	0	109.3	I696 D697 S700 F716	I696-S702 WeakPolarHBondContact CA-O 3.3Å; D697-S702 PolarHBondContact N-O 3.44Å; S700-S702 WeakPolarHBondContact O-CB 3.31Å; S700-S702 PolarHBondContact O-N 3.17Å; S700-S702 PolarHBondContact O-OG 2.71Å; S702-F716 WeakPolarHBondContact CA-O 3.33Å
703	V	96.7	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	176.7	178.8	0	0	0	0	108.7	V694 I696 W715 F716 Y735 I737	V694-V703 HydrophobicContact CG1-CG1 3.66Å; I696-V703 HydrophobicContact CD1-CG2 4.41Å; I696-V703 HydrophobicContact CG1-CG2 4.23Å; V703-W715 CarbonylContact O-C 3.14Å; V703-W715 WeakPolarHBondContact O-CA 3.31Å; V703-W715 WeakPolarHBondContact O-CB 3.36Å; V703-F716 HydrophobicContact CB-CD1 4.26Å; V703-F716 HydrophobicContact CB-CD2 4.21Å; V703-F716 HydrophobicContact CB-CE1 3.77Å; V703-F716 HydrophobicContact CB-CE2 3.71Å; V703-F716 HydrophobicContact CB-CG 4.47Å; V703-F716 HydrophobicContact CB-CZ 3.48Å; V703-F716 VanDerWaalsContact CB-CZ 3.48Å; V703-F716 HydrophobicContact CG1-CE1 3.84Å; V703-F716 HydrophobicContact CG1-CE2 4.48Å; V703-F716 HydrophobicContact CG1-CZ 3.77Å; V703-F716 HydrophobicContact CG2-CD2 4.39Å; V703-F716 HydrophobicContact CG2-CE1 4.43Å; V703-F716 HydrophobicContact CG2-CE2 3.61Å; V703-F716 HydrophobicContact CG2-CZ 3.64Å; V703-F716 PolarHBondContact N-O 3.03Å; V703-F716 PolarHBondContact O-N 3.36Å; V703-Y735 HydrophobicContact CG1-CD2 4.11Å; V703-Y735 HydrophobicContact CG1-CE2 4.25Å; V703-I737 HydrophobicContact CG2-CD1 3.51Å
704	F	96.3	Very high	93.8	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.8	176.2	-62.2	-87.4	0	0	0	109.8	Y678 I679 V694 A695 D697 V706 L712 W715	Y678-F704 HydrophobicContact CD2-CB 4.37Å; Y678-F704 AromaticContact CD2-CD1 3.16Å; Y678-F704 HydrophobicContact CD2-CD1 3.16Å; Y678-F704 HydrophobicContact CD2-CD2 4.25Å; Y678-F704 AromaticContact CD2-CE1 3.32Å; Y678-F704 HydrophobicContact CD2-CE1 3.32Å; Y678-F704 HydrophobicContact CD2-CE2 4.35Å; Y678-F704 AromaticContact CD2-CG 3.68Å; Y678-F704 HydrophobicContact CD2-CG 3.68Å; Y678-F704 AromaticContact CD2-CZ 3.92Å; Y678-F704 HydrophobicContact CD2-CZ 3.92Å; Y678-F704 HydrophobicContact CE2-CB 3.86Å; Y678-F704 AromaticContact CE2-CD1 3.41Å; Y678-F704 HydrophobicContact CE2-CD1 3.41Å; Y678-F704 VanDerWaalsContact CE2-CD1 3.41Å; Y678-F704 HydrophobicContact CE2-CE1 4.07Å; Y678-F704 AromaticContact CE2-CG 3.69Å; Y678-F704 HydrophobicContact CE2-CG 3.69Å; Y678-F704 HydrophobicContact CG-CD1 4.15Å; Y678-F704 AromaticContact CG-CE1 3.97Å; Y678-F704 HydrophobicContact CG-CE1 3.97Å; I679-F704 HydrophobicContact CD1-CB 4Å; I679-F704 HydrophobicContact CD1-CD2 3.93Å; I679-F704 HydrophobicContact CD1-CG 4.11Å; I679-F704 HydrophobicContact CG1-CB 4.41Å; I679-F704 HydrophobicContact CG1-CD2 3.54Å; I679-F704 HydrophobicContact CG1-CE2 3.88Å; I679-F704 HydrophobicContact CG1-CG 3.96Å; V694-F704 CarbonylContact C-O 3.48Å; V694-F704 WeakPolarHBondContact CA-O 3.47Å; A695-F704 PolarHBondContact N-O 3.47Å; A695-F704 PolarHBondContact O-N 3.23Å; D697-F704 HydrophobicContact CB-CE2 4.06Å; F704-V706 HydrophobicContact CB-CG2 4.3Å; F704-L712 HydrophobicContact CB-CD1 4.24Å; F704-L712 HydrophobicContact CD1-CD1 3.93Å; F704-W715 HydrophobicContact CD1-CB 3.42Å; F704-W715 VanDerWaalsContact CD1-CB 3.42Å; F704-W715 HydrophobicContact CD1-CG 4.2Å; F704-W715 HydrophobicContact CE1-CB 3.72Å; F704-W715 HydrophobicContact CE1-CD2 4.4Å; F704-W715 HydrophobicContact CE1-CG 4.09Å; F704-W715 HydrophobicContact CG-CB 4.23Å
705	V	96.4	Very high	93.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116	175.7	-173.7	0	0	0	0	107.6	H692 I693 V694 I713 R714 Y735	H692-V705 HydrophobicContact CB-CG1 3.7Å; I693-V705 CarbonylContact O-C 3.58Å; I693-V705 WeakPolarHBondContact O-CA 3.14Å; V694-V705 HydrophobicContact CG2-CG1 4.4Å; V694-V705 HydrophobicContact CG2-CG2 4.23Å; V705-I713 HydrophobicContact CG1-CB 4.36Å; V705-I713 WeakPolarHBondContact O-CB 3.49Å; V705-I713 PolarHBondContact O-N 2.94Å; V705-R714 HydrophobicContact CB-CB 4.21Å; V705-R714 HydrophobicContact CG2-CB 4.37Å; V705-R714 PolarHBondContact N-O 3.08Å; V705-R714 PolarHBondContact O-N 2.69Å; V705-Y735 HydrophobicContact CG2-CE2 4.24Å
706	V	96.4	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.5	-168.9	-166.7	0	0	0	0	109.7	I674 Y678 H692 I693 F704 D711 L712	I674-V706 HydrophobicContact CG2-CG1 4.3Å; Y678-V706 HydrophobicContact CE2-CG2 4.28Å; Y678-V706 WeakPolarHBondContact OH-CG2 3.47Å; H692-V706 CarbonylContact C-O 3.56Å; H692-V706 WeakPolarHBondContact CA-O 3.39Å; I693-V706 PolarHBondContact N-O 3.46Å; I693-V706 PolarHBondContact O-N 3.39Å; F704-V706 HydrophobicContact CB-CG2 4.3Å; V706-D711 CarbonylContact C-O 3.46Å; V706-D711 WeakPolarHBondContact CA-O 3.28Å; V706-D711 WeakPolarHBondContact CG1-O 3.18Å; V706-L712 HydrophobicContact CG2-CD1 4.28Å
707	S	93.5	Very high	93.6	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.063	24%	0.236	C	C	.	.			trans	-67.7	164.5	172.4	72.9	0	0	0	0	111.4	E709 G710 D711	S707-E709 WeakPolarHBondContact CB-OE2 3.45Å; S707-E709 PolarHBondContact O-N 3.41Å; S707-E709 PolarHBondContact OG-N 3.43Å; S707-E709 PolarHBondContact OG-OE2 3.48Å; S707-G710 PolarHBondContact O-N 2.86Å; S707-G710 VanDerWaalsContact O-N 3.07Å; S707-G710 PolarHBondContact OG-N 2.94Å; S707-G710 VanDerWaalsContact OG-N 3.09Å; S707-D711 PolarHBondContact N-O 3.42Å; S707-D711 WeakPolarHBondContact OG-CB 3.25Å; S707-D711 PolarHBondContact OG-N 2.99Å; S707-D711 PolarHBondContact OG-OD2 3.1Å
708	E	92.3	Very high	93.5	Very high	25 Å²	25	46.7 Å²	46.7	12%	0.117	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	171.6	-174.4	179	148.3	0	0	111.5	I643 S646 R648 L663 R672	I643-E708 HydrophobicContact CD1-CB 4.2Å; I643-E708 HydrophobicContact CD1-CG 3.92Å; S646-E708 WeakPolarHBondContact CB-OE2 3.47Å; S646-E708 PolarHBondContact OG-OE2 3.2Å; R648-E708 WeakPolarHBondContact CD-OE1 3.38Å; R648-E708 IonicContact CZ-OE1 3.3Å; R648-E708 IonicContact NE-OE1 3.93Å; R648-E708 IonicContact NH1-OE1 3.81Å; R648-E708 PolarHBondContact NH1-OE1 2.81Å; L663-E708 HydrophobicContact CD1-CG 4.37Å; L663-E708 HydrophobicContact CD2-CG 3.77Å; L663-E708 WeakPolarHBondContact CD2-OE1 3.36Å; R672-E708 PolarHBondContact NE-O 2.92Å; R672-E708 PolarHBondContact NH2-O 2.77Å
709	E	89.4	Confident	93.4	Very high	118 Å²	118	47.6 Å²	47.6	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.5	176.4	-62.4	67.4	-144.5	0	0	112.9	R672 S707	R672-E709 VanDerWaalsContact CZ-O 3.26Å; R672-E709 PolarHBondContact NH1-O 3.06Å; R672-E709 PolarHBondContact NH2-O 2.89Å; S707-E709 WeakPolarHBondContact CB-OE2 3.45Å; S707-E709 PolarHBondContact O-N 3.41Å; S707-E709 PolarHBondContact OG-N 3.43Å; S707-E709 PolarHBondContact OG-OE2 3.48Å
710	G	90.1	Very high	93.3	Very high	9 Å²	9	50.2 Å²	50.2	9%	0.093	25%	0.254	C	S	.	.			trans	97.8	8.3	177.1	0	0	0	0	0	114.7	S707	S707-G710 PolarHBondContact O-N 2.86Å; S707-G710 VanDerWaalsContact O-N 3.07Å; S707-G710 PolarHBondContact OG-N 2.94Å; S707-G710 VanDerWaalsContact OG-N 3.09Å
711	D	92.5	Very high	93.3	Very high	105 Å²	105	51.3 Å²	51.3	56%	0.561	25%	0.253	S	S	*	.			trans	-71.7	129.8	173.5	-55.8	-54.5	0	0	0	109.3	V706 S707 I713	V706-D711 CarbonylContact C-O 3.46Å; V706-D711 WeakPolarHBondContact CA-O 3.28Å; V706-D711 WeakPolarHBondContact CG1-O 3.18Å; S707-D711 PolarHBondContact N-O 3.42Å; S707-D711 WeakPolarHBondContact OG-CB 3.25Å; S707-D711 PolarHBondContact OG-N 2.99Å; S707-D711 PolarHBondContact OG-OD2 3.1Å; D711-I713 PolarHBondContact O-N 3.32Å
712	L	94.2	Very high	93.1	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.356	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.8	174	-179.8	61	0	0	0	109	Y678 F704 V706 R714 W715	Y678-L712 HydrophobicContact CD1-CD2 4.34Å; Y678-L712 HydrophobicContact CE1-CB 4.19Å; Y678-L712 HydrophobicContact CE1-CD1 4.47Å; Y678-L712 HydrophobicContact CE1-CD2 4.18Å; Y678-L712 HydrophobicContact CE2-CD1 3.96Å; F704-L712 HydrophobicContact CB-CD1 4.24Å; F704-L712 HydrophobicContact CD1-CD1 3.93Å; V706-L712 HydrophobicContact CG2-CD1 4.28Å; L712-R714 WeakPolarHBondContact CD1-O 3.08Å; L712-W715 HydrophobicContact CD1-CB 4.28Å; L712-W715 HydrophobicContact CD2-CG 4.31Å
713	I	93.3	Very high	92.9	Very high	78 Å²	78	59.2 Å²	59.2	40%	0.4	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-44.3	-177.9	-58.2	175.5	0	0	0	110	H692 V705 D711	H692-I713 HydrophobicContact CB-CD1 3.98Å; H692-I713 WeakPolarHBondContact CD2-CD1 3.43Å; H692-I713 VanDerWaalsContact CE1-CD1 3.41Å; H692-I713 WeakPolarHBondContact CE1-CD1 3.49Å; H692-I713 VanDerWaalsContact ND1-CD1 3.33Å; H692-I713 WeakPolarHBondContact ND1-CD1 3.17Å; H692-I713 WeakPolarHBondContact NE2-CD1 3.4Å; V705-I713 HydrophobicContact CG1-CB 4.36Å; V705-I713 WeakPolarHBondContact O-CB 3.49Å; V705-I713 PolarHBondContact O-N 2.94Å; D711-I713 PolarHBondContact O-N 3.32Å
714	R	93.5	Very high	92.7	Very high	119 Å²	119	63 Å²	63	45%	0.449	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	150.2	-179.1	-175.7	175	-67.3	-87.9	-4.3	109.9	V705 L712 E750	V705-R714 HydrophobicContact CB-CB 4.21Å; V705-R714 HydrophobicContact CG2-CB 4.37Å; V705-R714 PolarHBondContact N-O 3.08Å; V705-R714 PolarHBondContact O-N 2.69Å; L712-R714 WeakPolarHBondContact CD1-O 3.08Å; R714-E750 WeakPolarHBondContact CD-O 3.49Å
715	W	95.3	Very high	92.7	Very high	148 Å²	148	62.6 Å²	62.6	56%	0.561	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.2	163.7	69.1	-80.9	0	0	0	110	V703 F704 L712 D717	V703-W715 CarbonylContact O-C 3.14Å; V703-W715 WeakPolarHBondContact O-CA 3.31Å; V703-W715 WeakPolarHBondContact O-CB 3.36Å; F704-W715 HydrophobicContact CD1-CB 3.42Å; F704-W715 VanDerWaalsContact CD1-CB 3.42Å; F704-W715 HydrophobicContact CD1-CG 4.2Å; F704-W715 HydrophobicContact CE1-CB 3.72Å; F704-W715 HydrophobicContact CE1-CD2 4.4Å; F704-W715 HydrophobicContact CE1-CG 4.09Å; F704-W715 HydrophobicContact CG-CB 4.23Å; L712-W715 HydrophobicContact CD1-CB 4.28Å; L712-W715 HydrophobicContact CD2-CG 4.31Å; W715-D717 HydrophobicContact CZ3-CB 4.35Å
716	F	95.8	Very high	92.5	Very high	18 Å²	18	63.4 Å²	63.4	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	145.3	171.4	55.7	-93.2	0	0	0	111	S702 V703 C718 Y735 F748 G752	S702-F716 WeakPolarHBondContact CA-O 3.33Å; V703-F716 HydrophobicContact CB-CD1 4.26Å; V703-F716 HydrophobicContact CB-CD2 4.21Å; V703-F716 HydrophobicContact CB-CE1 3.77Å; V703-F716 HydrophobicContact CB-CE2 3.71Å; V703-F716 HydrophobicContact CB-CG 4.47Å; V703-F716 HydrophobicContact CB-CZ 3.48Å; V703-F716 VanDerWaalsContact CB-CZ 3.48Å; V703-F716 HydrophobicContact CG1-CE1 3.84Å; V703-F716 HydrophobicContact CG1-CE2 4.48Å; V703-F716 HydrophobicContact CG1-CZ 3.77Å; V703-F716 HydrophobicContact CG2-CD2 4.39Å; V703-F716 HydrophobicContact CG2-CE1 4.43Å; V703-F716 HydrophobicContact CG2-CE2 3.61Å; V703-F716 HydrophobicContact CG2-CZ 3.64Å; V703-F716 PolarHBondContact N-O 3.03Å; V703-F716 PolarHBondContact O-N 3.36Å; F716-C718 VanDerWaalsContact CD2-SG 3.52Å; F716-C718 WeakPolarHBondContact CE2-SG 3.45Å; F716-Y735 HydrophobicContact CE1-CD2 4.22Å; F716-Y735 HydrophobicContact CE1-CE2 4.18Å; F716-Y735 AromaticContact CZ-CD2 3.94Å; F716-Y735 HydrophobicContact CZ-CD2 3.94Å; F716-Y735 HydrophobicContact CZ-CE2 4.37Å; F716-F748 HydrophobicContact CE2-CB 3.96Å; F716-F748 HydrophobicContact CE2-CD1 4Å; F716-F748 HydrophobicContact CE2-CD2 4.27Å; F716-F748 AromaticContact CE2-CG 3.82Å; F716-F748 HydrophobicContact CE2-CG 3.82Å; F716-F748 HydrophobicContact CZ-CB 4.01Å; F716-F748 HydrophobicContact CZ-CG 4.37Å; F716-G752 VanDerWaalsContact CG-CA 3.43Å
717	D	93.7	Very high	92.5	Very high	72 Å²	72	63.6 Å²	63.6	39%	0.385	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131	178.4	179.8	27.9	0	0	0	111	P701 W715 S719	P701-D717 VanDerWaalsContact O-OD1 3.14Å; W715-D717 HydrophobicContact CZ3-CB 4.35Å; D717-S719 VanDerWaalsContact CG-OG 3.25Å; D717-S719 WeakPolarHBondContact OD1-CB 3.29Å; D717-S719 PolarHBondContact OD1-N 3.07Å; D717-S719 PolarHBondContact OD1-OG 2.69Å; D717-S719 VanDerWaalsContact OD1-OG 3.07Å; D717-S719 PolarHBondContact OD2-OG 2.89Å
718	C	91.7	Very high	92.6	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.007	30%	0.301	C	S	.	.			trans	-110.5	0	179.2	-58.8	0	0	0	0	112.5	P701 F716 N720 H721 M722 F748	P701-C718 CarbonylContact O-C 3.54Å; P701-C718 VanDerWaalsContact O-CA 3.3Å; P701-C718 WeakPolarHBondContact O-CA 3.28Å; P701-C718 VanDerWaalsContact O-CB 3.32Å; P701-C718 WeakPolarHBondContact O-CB 3.43Å; P701-C718 PolarHBondContact O-N 3.4Å; F716-C718 VanDerWaalsContact CD2-SG 3.52Å; F716-C718 WeakPolarHBondContact CE2-SG 3.45Å; C718-N720 PolarHBondContact O-N 3.01Å; C718-N720 VanDerWaalsContact O-N 3.1Å; C718-H721 PolarHBondContact O-N 3.38Å; C718-M722 HydrophobicContact CB-CB 4.39Å; C718-M722 WeakPolarHBondContact O-CB 3.38Å; C718-M722 PolarHBondContact O-N 2.98Å; C718-F748 HydrophobicContact CB-CE2 4.07Å; C718-F748 HydrophobicContact CB-CZ 3.79Å
719	S	89.3	Confident	92.8	Very high	55 Å²	55	62.1 Å²	62.1	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.6	-173.2	68.8	0	0	0	0	114.2	P701 D717 H721	P701-S719 PolarHBondContact O-N 2.92Å; D717-S719 VanDerWaalsContact CG-OG 3.25Å; D717-S719 WeakPolarHBondContact OD1-CB 3.29Å; D717-S719 PolarHBondContact OD1-N 3.07Å; D717-S719 PolarHBondContact OD1-OG 2.69Å; D717-S719 VanDerWaalsContact OD1-OG 3.07Å; D717-S719 PolarHBondContact OD2-OG 2.89Å; S719-H721 VanDerWaalsContact C-N 3.3Å; S719-H721 PolarHBondContact O-N 3.08Å
720	N	88.7	Confident	93.1	Very high	141 Å²	141	58.1 Å²	58.1	75%	0.754	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.5	177.4	-68.8	-39.8	0	0	0	113.9	C718	C718-N720 PolarHBondContact O-N 3.01Å; C718-N720 VanDerWaalsContact O-N 3.1Å
721	H	89.9	Confident	93.3	Very high	73 Å²	73	59.9 Å²	59.9	34%	0.338	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.1	-174.5	-58.6	98.5	0	0	0	113.1	C718 S719 I746 F748 F754 R757	C718-H721 PolarHBondContact O-N 3.38Å; S719-H721 VanDerWaalsContact C-N 3.3Å; S719-H721 PolarHBondContact O-N 3.08Å; H721-I746 HydrophobicContact CB-CG2 4.42Å; H721-F748 HydrophobicContact CB-CZ 4.03Å; H721-F754 HydrophobicContact CB-CD2 4.49Å; H721-F754 AromaticContact CD2-CD2 3.81Å; H721-F754 AromaticContact CD2-CG 3.88Å; H721-F754 AromaticContact NE2-CG 3.93Å; H721-R757 PolarHBondContact O-NH2 2.9Å; H721-R757 VanDerWaalsContact O-NH2 3.17Å
722	M	90.7	Very high	93.2	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.034	28%	0.275	C	S	.	.			trans	-134.9	140.6	-167	-168.4	170.8	-74.9	0	0	112.4	P701 C718 P725 I737 D739 I746 F748	P701-M722 HydrophobicContact CB-CB 4.32Å; P701-M722 HydrophobicContact CB-CG 4.49Å; C718-M722 HydrophobicContact CB-CB 4.39Å; C718-M722 WeakPolarHBondContact O-CB 3.38Å; C718-M722 PolarHBondContact O-N 2.98Å; M722-P725 HydrophobicContact SD-CB 3.52Å; M722-P725 VanDerWaalsContact SD-CB 3.52Å; M722-P725 HydrophobicContact SD-CG 3.95Å; M722-I737 HydrophobicContact CE-CB 3.52Å; M722-I737 HydrophobicContact CE-CD1 4.28Å; M722-I737 HydrophobicContact CE-CG1 4.5Å; M722-I737 HydrophobicContact CE-CG2 3.28Å; M722-I737 HydrophobicContact SD-CG2 3.69Å; M722-D739 VanDerWaalsContact CA-OD2 3.3Å; M722-D739 WeakPolarHBondContact CA-OD2 3.34Å; M722-D739 HydrophobicContact CG-CB 3.98Å; M722-D739 WeakPolarHBondContact CG-OD2 3.44Å; M722-I746 HydrophobicContact CE-CB 3.72Å; M722-I746 HydrophobicContact CE-CG1 3.8Å; M722-F748 HydrophobicContact CE-CE2 4.24Å
723	R	91	Very high	93.2	Very high	182 Å²	182	60.6 Å²	60.6	69%	0.687	29%	0.285	S	S	*	.	S	Bend	trans	-101.3	-49.7	179.1	-56	-173.1	-153.7	-127.4	10.5	112.6	D739 K741	R723-D739 PolarHBondContact N-OD2 3.49Å; R723-K741 HydrophobicContact CB-CB 4.08Å; R723-K741 HydrophobicContact CB-CD 4.25Å; R723-K741 HydrophobicContact CB-CG 4.34Å
724	E	93.4	Very high	93.3	Very high	79 Å²	79	57.5 Å²	57.5	37%	0.369	27%	0.269	S	S	.	.			trans	-147	91.2	-175.2	-168.8	172.9	161.4	0	0	111.3	D739 F740 K741	E724-D739 PolarHBondContact N-OD1 3.33Å; E724-D739 CarbonylContact O-C 3.5Å; E724-D739 WeakPolarHBondContact O-CA 3.33Å; E724-F740 HydrophobicContact CB-CB 4.48Å; E724-F740 HydrophobicContact CG-CB 4.43Å; E724-F740 PolarHBondContact O-N 3.49Å; E724-K741 HydrophobicContact CB-CB 3.72Å
725	P	95.1	Very high	93.5	Very high	4 Å²	4	52 Å²	52	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.5	178	19.4	-25	0	0	0	111.9	A683 I696 D697 P701 M722 I737 C738	A683-P725 HydrophobicContact CB-CB 4.34Å; A683-P725 HydrophobicContact CB-CG 4.44Å; A683-P725 WeakPolarHBondContact CB-O 3.24Å; I696-P725 HydrophobicContact CG2-CB 3.59Å; I696-P725 HydrophobicContact CG2-CG 3.72Å; D697-P725 VanDerWaalsContact O-CG 3.29Å; D697-P725 WeakPolarHBondContact O-CG 3.33Å; P701-P725 HydrophobicContact CB-CG 4.31Å; M722-P725 HydrophobicContact SD-CB 3.52Å; M722-P725 VanDerWaalsContact SD-CB 3.52Å; M722-P725 HydrophobicContact SD-CG 3.95Å; P725-I737 HydrophobicContact CB-CG2 4.07Å; P725-C738 CarbonylContact C-O 3.56Å; P725-C738 VanDerWaalsContact CA-O 3.26Å; P725-C738 WeakPolarHBondContact CA-O 3.45Å
726	S	93.2	Very high	93.6	Very high	20 Å²	20	44.9 Å²	44.9	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-34.8	180	58.3	0	0	0	0	114.7	K639 C738 P767	K639-S726 PolarHBondContact NZ-O 3.49Å; S726-C738 PolarHBondContact N-O 2.7Å; S726-C738 WeakPolarHBondContact OG-CB 3.42Å; S726-C738 PolarHBondContact OG-O 2.8Å; S726-P767 PolarHBondContact OG-O 2.97Å
727	D	95.4	Very high	93.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	167	-179.6	-147.5	23.4	0	0	0	112	K639 I737 C738 I770 C815	K639-D727 IonicContact NZ-OD1 4Å; K639-D727 PolarHBondContact NZ-OD1 2.86Å; D727-I737 WeakPolarHBondContact O-CA 3.29Å; D727-C738 PolarHBondContact O-N 3.34Å; D727-I770 HydrophobicContact CB-CG2 4.22Å; D727-C815 WeakPolarHBondContact OD2-CA 3.31Å; D727-C815 PolarHBondContact OD2-SG 3.34Å
728	V	96.3	Very high	93.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.2	-176.6	60.5	0	0	0	0	113.1	A686 I696 I730 Y736 I737	A686-V728 HydrophobicContact CB-CG1 3.83Å; I696-V728 HydrophobicContact CD1-CB 3.48Å; I696-V728 VanDerWaalsContact CD1-CB 3.48Å; I696-V728 HydrophobicContact CD1-CG1 4.03Å; I696-V728 HydrophobicContact CD1-CG2 3.77Å; I696-V728 HydrophobicContact CG1-CB 4.32Å; I696-V728 HydrophobicContact CG1-CG1 4.36Å; V728-I730 HydrophobicContact CG2-CG1 4.45Å; V728-Y736 WeakPolarHBondContact CA-O 3.39Å; V728-I737 HydrophobicContact CG2-CG1 4.14Å
729	A	95.9	Very high	93.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.2	167.3	0	0	0	0	0	110.2	Y736 I770 V772	A729-Y736 PolarHBondContact N-O 3.1Å; A729-Y736 PolarHBondContact O-N 3.49Å; A729-I770 HydrophobicContact CB-CB 4.48Å; A729-I770 HydrophobicContact CB-CG1 4.1Å; A729-I770 HydrophobicContact CB-CG2 3.97Å; A729-V772 HydrophobicContact CB-CG2 3.94Å
730	I	95.7	Very high	93.9	Very high	35 Å²	35	41 Å²	41	18%	0.179	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.5	-176.6	-60.5	175.9	0	0	0	108	A686 N688 V694 V728 Y735	A686-I730 HydrophobicContact CB-CD1 3.71Å; A686-I730 HydrophobicContact CB-CG1 4.01Å; N688-I730 HydrophobicContact CB-CD1 4.2Å; V694-I730 HydrophobicContact CB-CD1 3.72Å; V694-I730 HydrophobicContact CG1-CD1 4.13Å; V694-I730 HydrophobicContact CG2-CD1 3.52Å; V728-I730 HydrophobicContact CG2-CG1 4.45Å; I730-Y735 HydrophobicContact CB-CD1 4.29Å; I730-Y735 HydrophobicContact CD1-CD1 4.09Å; I730-Y735 HydrophobicContact CD1-CE1 4.02Å; I730-Y735 HydrophobicContact CG1-CD1 3.74Å; I730-Y735 HydrophobicContact CG1-CE1 4.14Å; I730-Y735 HydrophobicContact CG1-CG 4.49Å; I730-Y735 HydrophobicContact CG2-CD1 3.83Å; I730-Y735 HydrophobicContact CG2-CE1 3.84Å
731	H	94.2	Very high	94.1	Very high	46 Å²	46	40.2 Å²	40.2	21%	0.213	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	116.4	172.6	-175.2	87.1	0	0	0	109.8	R733 E734 Y736 V772 S773	H731-R733 PolarHBondContact O-N 2.73Å; H731-R733 VanDerWaalsContact O-N 3.12Å; H731-E734 PolarHBondContact N-O 2.97Å; H731-E734 VanDerWaalsContact N-O 3.09Å; H731-E734 PolarHBondContact O-N 3.46Å; H731-E734 VanDerWaalsContact O-N 3.11Å; H731-Y736 HydrophobicContact CB-CE2 4.1Å; H731-V772 HydrophobicContact CB-CB 3.93Å; H731-V772 HydrophobicContact CB-CG1 3.6Å; H731-V772 HydrophobicContact CB-CG2 4.28Å; H731-S773 PolarHBondContact ND1-O 3.19Å
732	G	91.8	Very high	94.2	Very high	36 Å²	36	37.3 Å²	37.3	37%	0.371	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-112.1	-172.1	0	0	0	0	0	112.1	Q689	Q689-G732 PolarHBondContact NE2-O 2.98Å
733	R	93.6	Very high	94.3	Very high	152 Å²	152	38.4 Å²	38.4	57%	0.574	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	13.6	179.1	-59.8	-171.8	179.3	177.7	-2.1	113.6	H731 Q749 E750	H731-R733 PolarHBondContact O-N 2.73Å; H731-R733 VanDerWaalsContact O-N 3.12Å; R733-Q749 VanDerWaalsContact CB-NE2 3.26Å; R733-Q749 PolarHBondContact O-NE2 3.36Å; R733-Q749 VanDerWaalsContact O-NE2 3.16Å; R733-E750 HydrophobicContact CB-CB 4.24Å; R733-E750 WeakPolarHBondContact O-CB 3.29Å; R733-E750 PolarHBondContact O-N 3.36Å
734	E	95.8	Very high	94.4	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.5	179.6	-65.3	178.6	133.7	0	0	110.1	H731 Y736 V747 F748 I755 R756 R795	H731-E734 PolarHBondContact N-O 2.97Å; H731-E734 VanDerWaalsContact N-O 3.09Å; H731-E734 PolarHBondContact O-N 3.46Å; H731-E734 VanDerWaalsContact O-N 3.11Å; E734-Y736 HydrophobicContact CB-CD2 4.41Å; E734-Y736 HydrophobicContact CB-CE2 3.63Å; E734-Y736 PolarHBondContact OE2-OH 3.27Å; E734-V747 HydrophobicContact CB-CG1 4.04Å; E734-V747 HydrophobicContact CG-CG1 4.48Å; E734-F748 CarbonylContact C-O 3.58Å; E734-F748 WeakPolarHBondContact CA-O 3.48Å; E734-I755 HydrophobicContact CG-CD1 3.75Å; E734-R756 VanDerWaalsContact CD-NH2 3.33Å; E734-R756 IonicContact OE1-CZ 3.14Å; E734-R756 IonicContact OE1-NH1 2.85Å; E734-R756 PolarHBondContact OE1-NH1 2.97Å; E734-R756 IonicContact OE1-NH2 3.5Å; E734-R756 PolarHBondContact OE1-NH2 3.31Å; E734-R756 IonicContact OE2-NH2 3.62Å; E734-R756 PolarHBondContact OE2-NH2 2.95Å; E734-R795 IonicContact OE1-NH2 3.37Å; E734-R795 IonicContact OE2-CZ 3.93Å; E734-R795 VanDerWaalsContact OE2-CZ 3.3Å; E734-R795 IonicContact OE2-NE 3.5Å; E734-R795 PolarHBondContact OE2-NE 2.83Å; E734-R795 IonicContact OE2-NH2 3.7Å; E734-R795 PolarHBondContact OE2-NH2 2.85Å
735	Y	96.7	Very high	94.6	Very high	2 Å²	2	26 Å²	26	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.1	178.4	-59.2	-14.6	0	0	0	109.1	V694 V703 V705 F716 I730 V747 F748	V694-Y735 HydrophobicContact CG1-CD2 4.43Å; V694-Y735 HydrophobicContact CG1-CE2 4.29Å; V703-Y735 HydrophobicContact CG1-CD2 4.11Å; V703-Y735 HydrophobicContact CG1-CE2 4.25Å; V705-Y735 HydrophobicContact CG2-CE2 4.24Å; F716-Y735 HydrophobicContact CE1-CD2 4.22Å; F716-Y735 HydrophobicContact CE1-CE2 4.18Å; F716-Y735 AromaticContact CZ-CD2 3.94Å; F716-Y735 HydrophobicContact CZ-CD2 3.94Å; F716-Y735 HydrophobicContact CZ-CE2 4.37Å; I730-Y735 HydrophobicContact CB-CD1 4.29Å; I730-Y735 HydrophobicContact CD1-CD1 4.09Å; I730-Y735 HydrophobicContact CD1-CE1 4.02Å; I730-Y735 HydrophobicContact CG1-CD1 3.74Å; I730-Y735 HydrophobicContact CG1-CE1 4.14Å; I730-Y735 HydrophobicContact CG1-CG 4.49Å; I730-Y735 HydrophobicContact CG2-CD1 3.83Å; I730-Y735 HydrophobicContact CG2-CE1 3.84Å; Y735-V747 WeakPolarHBondContact O-CA 3.29Å; Y735-F748 PolarHBondContact N-O 3.5Å; Y735-F748 PolarHBondContact O-N 3.29Å
736	Y	97	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.2	-179.1	-63.3	-101.6	0	0	0	108.6	V728 A729 H731 E734 V745 V747 R756 I758 V772 V778	V728-Y736 WeakPolarHBondContact CA-O 3.39Å; A729-Y736 PolarHBondContact N-O 3.1Å; A729-Y736 PolarHBondContact O-N 3.49Å; H731-Y736 HydrophobicContact CB-CE2 4.1Å; E734-Y736 HydrophobicContact CB-CD2 4.41Å; E734-Y736 HydrophobicContact CB-CE2 3.63Å; E734-Y736 PolarHBondContact OE2-OH 3.27Å; Y736-V745 HydrophobicContact CD1-CG1 4.49Å; Y736-V747 HydrophobicContact CD1-CB 4.43Å; Y736-V747 HydrophobicContact CD1-CG1 4.14Å; Y736-V747 HydrophobicContact CD1-CG2 3.5Å; Y736-V747 HydrophobicContact CE1-CB 4.44Å; Y736-V747 HydrophobicContact CE1-CG1 3.89Å; Y736-V747 HydrophobicContact CE1-CG2 3.61Å; Y736-V747 HydrophobicContact CE2-CG1 4.35Å; Y736-V747 HydrophobicContact CG-CG1 4.46Å; Y736-V747 HydrophobicContact CG-CG2 4.34Å; Y736-R756 PolarHBondContact OH-NH2 2.93Å; Y736-I758 HydrophobicContact CD1-CD1 4.27Å; Y736-I758 HydrophobicContact CE1-CD1 4.01Å; Y736-V772 HydrophobicContact CD2-CG2 3.85Å; Y736-V772 HydrophobicContact CE2-CG2 4.22Å; Y736-V772 HydrophobicContact CG-CG2 4.08Å; Y736-V778 HydrophobicContact CD1-CG1 3.97Å; Y736-V778 HydrophobicContact CD1-CG2 3.77Å; Y736-V778 HydrophobicContact CE1-CG1 4.48Å; Y736-V778 HydrophobicContact CE1-CG2 3.43Å; Y736-V778 VanDerWaalsContact CE1-CG2 3.43Å
737	I	96.6	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.8	-171.9	-51.2	172.3	0	0	0	109.2	I696 V703 M722 P725 D727 V728 V745 I746 F748	I696-I737 HydrophobicContact CD1-CB 4.13Å; I696-I737 HydrophobicContact CD1-CD1 3.7Å; I696-I737 HydrophobicContact CD1-CG1 3.62Å; I696-I737 HydrophobicContact CD1-CG2 3.47Å; I696-I737 VanDerWaalsContact CD1-CG2 3.47Å; V703-I737 HydrophobicContact CG2-CD1 3.51Å; M722-I737 HydrophobicContact CE-CB 3.52Å; M722-I737 HydrophobicContact CE-CD1 4.28Å; M722-I737 HydrophobicContact CE-CG1 4.5Å; M722-I737 HydrophobicContact CE-CG2 3.28Å; M722-I737 HydrophobicContact SD-CG2 3.69Å; P725-I737 HydrophobicContact CB-CG2 4.07Å; D727-I737 WeakPolarHBondContact O-CA 3.29Å; V728-I737 HydrophobicContact CG2-CG1 4.14Å; I737-V745 CarbonylContact O-C 3.53Å; I737-V745 VanDerWaalsContact O-CA 3.31Å; I737-V745 WeakPolarHBondContact O-CA 3.13Å; I737-I746 PolarHBondContact N-O 3.39Å; I737-I746 PolarHBondContact O-N 2.94Å; I737-F748 HydrophobicContact CD1-CD2 3.65Å; I737-F748 HydrophobicContact CD1-CE2 3.98Å
738	C	95.4	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.8	173.3	-72.5	0	0	0	0	110.8	P725 S726 D727 P767 I770	P725-C738 CarbonylContact C-O 3.56Å; P725-C738 VanDerWaalsContact CA-O 3.26Å; P725-C738 WeakPolarHBondContact CA-O 3.45Å; S726-C738 PolarHBondContact N-O 2.7Å; S726-C738 WeakPolarHBondContact OG-CB 3.42Å; S726-C738 PolarHBondContact OG-O 2.8Å; D727-C738 PolarHBondContact O-N 3.34Å; C738-P767 HydrophobicContact CB-CB 4.06Å; C738-P767 HydrophobicContact CB-CG 4.05Å; C738-I770 WeakPolarHBondContact SG-CB 3.44Å
739	D	94.4	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	104.5	167.6	-172.6	-19.8	0	0	0	109	M722 R723 E724 K741 A742 H743 C744 P767	M722-D739 VanDerWaalsContact CA-OD2 3.3Å; M722-D739 WeakPolarHBondContact CA-OD2 3.34Å; M722-D739 HydrophobicContact CG-CB 3.98Å; M722-D739 WeakPolarHBondContact CG-OD2 3.44Å; R723-D739 PolarHBondContact N-OD2 3.49Å; E724-D739 PolarHBondContact N-OD1 3.33Å; E724-D739 CarbonylContact O-C 3.5Å; E724-D739 WeakPolarHBondContact O-CA 3.33Å; D739-K741 VanDerWaalsContact C-N 3.29Å; D739-K741 PolarHBondContact O-N 3.1Å; D739-K741 PolarHBondContact OD1-N 2.83Å; D739-K741 VanDerWaalsContact OD1-N 3.12Å; D739-A742 HydrophobicContact CB-CB 4Å; D739-A742 PolarHBondContact OD1-N 3.49Å; D739-A742 WeakPolarHBondContact OD2-CB 3.34Å; D739-H743 PolarHBondContact O-N 2.89Å; D739-C744 PolarHBondContact N-O 2.96Å; D739-C744 PolarHBondContact O-N 3.08Å; D739-P767 WeakPolarHBondContact O-CD 2.99Å; D739-P767 WeakPolarHBondContact O-CG 3.42Å
740	F	92.4	Very high	94.7	Very high	63 Å²	63	29.1 Å²	29.1	28%	0.276	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-44.3	-178.8	179.1	-93.2	0	0	0	111.6	E724 F766 N768	E724-F740 HydrophobicContact CB-CB 4.48Å; E724-F740 HydrophobicContact CG-CB 4.43Å; E724-F740 PolarHBondContact O-N 3.49Å; F740-F766 HydrophobicContact CD1-CD1 4.12Å; F740-F766 HydrophobicContact CD2-CB 3.94Å; F740-F766 AromaticContact CE1-CD1 3.67Å; F740-F766 HydrophobicContact CE1-CD1 3.67Å; F740-F766 HydrophobicContact CE1-CE1 4.3Å; F740-F766 HydrophobicContact CE2-CB 3.63Å; F740-F766 HydrophobicContact CE2-CD1 4.16Å; F740-F766 HydrophobicContact CE2-CG 4.28Å; F740-F766 HydrophobicContact CZ-CB 4Å; F740-F766 AromaticContact CZ-CD1 3.69Å; F740-F766 HydrophobicContact CZ-CD1 3.69Å; F740-F766 HydrophobicContact CZ-CG 4.14Å; F740-F766 WeakPolarHBondContact O-CA 3.34Å; F740-F766 WeakPolarHBondContact O-CD1 3.38Å; F740-N768 VanDerWaalsContact CD2-OD1 3.27Å; F740-N768 WeakPolarHBondContact CD2-OD1 3.38Å; F740-N768 WeakPolarHBondContact CE2-OD1 3.25Å
741	K	91.6	Very high	94.5	Very high	125 Å²	125	31.5 Å²	31.5	54%	0.543	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-24	-171.8	-173.2	170.7	-175.5	171.4	0	113.1	R723 E724 D739 H743	R723-K741 HydrophobicContact CB-CB 4.08Å; R723-K741 HydrophobicContact CB-CD 4.25Å; R723-K741 HydrophobicContact CB-CG 4.34Å; E724-K741 HydrophobicContact CB-CB 3.72Å; D739-K741 VanDerWaalsContact C-N 3.29Å; D739-K741 PolarHBondContact O-N 3.1Å; D739-K741 PolarHBondContact OD1-N 2.83Å; D739-K741 VanDerWaalsContact OD1-N 3.12Å; K741-H743 PolarHBondContact O-CD2 3.44Å
742	A	91.7	Very high	94.4	Very high	13 Å²	13	30.3 Å²	30.3	11%	0.107	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5	174.5	0	0	0	0	0	114.1	D739 C744	D739-A742 HydrophobicContact CB-CB 4Å; D739-A742 PolarHBondContact OD1-N 3.49Å; D739-A742 WeakPolarHBondContact OD2-CB 3.34Å; A742-C744 PolarHBondContact O-N 3.33Å
743	H	92.9	Very high	94.5	Very high	29 Å²	29	31.5 Å²	31.5	13%	0.134	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34	176.7	-57	-103.1	0	0	0	113.4	D739 K741 G760 E761 T764 D765 F766	D739-H743 PolarHBondContact O-N 2.89Å; K741-H743 PolarHBondContact O-CD2 3.44Å; H743-G760 CarbonylContact O-C 3.58Å; H743-G760 WeakPolarHBondContact O-CA 3.19Å; H743-G760 PolarHBondContact O-N 3.44Å; H743-G760 VanDerWaalsContact O-N 3.13Å; H743-E761 HydrophobicContact CB-CG 4.08Å; H743-T764 CarbonylContact C-O 3.59Å; H743-T764 WeakPolarHBondContact CA-O 3.32Å; H743-T764 PolarHBondContact O-OG1 2.86Å; H743-D765 IonicContact CG-OD1 3.9Å; H743-D765 WeakPolarHBondContact ND1-CA 3.39Å; H743-D765 IonicContact ND1-OD1 3.7Å; H743-D765 PolarHBondContact ND1-OD1 3.19Å; H743-F766 AromaticContact CE1-CD1 3.72Å; H743-F766 AromaticContact CE1-CD2 3.81Å; H743-F766 AromaticContact CE1-CE1 3.35Å; H743-F766 WeakPolarHBondContact CE1-CE1 3.4Å; H743-F766 AromaticContact CE1-CE2 3.46Å; H743-F766 VanDerWaalsContact CE1-CE2 3.46Å; H743-F766 WeakPolarHBondContact CE1-CE2 3.1Å; H743-F766 AromaticContact CE1-CG 3.95Å; H743-F766 AromaticContact CE1-CZ 3.23Å; H743-F766 WeakPolarHBondContact CE1-CZ 3.49Å; H743-F766 PolarHBondContact ND1-N 2.86Å; H743-F766 AromaticContact NE2-CE1 3.69Å; H743-F766 AromaticContact NE2-CZ 3.84Å
744	C	94.7	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	173	-173	68.4	0	0	0	0	112.7	D739 A742 R757 I758	D739-C744 PolarHBondContact N-O 2.96Å; D739-C744 PolarHBondContact O-N 3.08Å; A742-C744 PolarHBondContact O-N 3.33Å; C744-R757 HydrophobicContact CB-CG 3.88Å; C744-R757 PolarHBondContact SG-NH1 2.92Å; C744-I758 WeakPolarHBondContact CB-O 3.15Å
745	V	96.1	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.6	170.5	177.3	0	0	0	0	109.1	Y736 I737 R757 I758 I770 V780	Y736-V745 HydrophobicContact CD1-CG1 4.49Å; I737-V745 CarbonylContact O-C 3.53Å; I737-V745 VanDerWaalsContact O-CA 3.31Å; I737-V745 WeakPolarHBondContact O-CA 3.13Å; V745-R757 CarbonylContact O-C 3.57Å; V745-R757 WeakPolarHBondContact O-CA 3.48Å; V745-I758 HydrophobicContact CB-CB 4.27Å; V745-I758 PolarHBondContact N-O 3.36Å; V745-I758 PolarHBondContact O-N 2.86Å; V745-I770 HydrophobicContact CB-CD1 4.34Å; V745-I770 HydrophobicContact CG1-CD1 3.51Å; V745-I770 HydrophobicContact CG2-CD1 3.84Å; V745-V780 HydrophobicContact CG2-CB 4.44Å; V745-V780 HydrophobicContact CG2-CG1 3.88Å; V745-V780 HydrophobicContact CG2-CG2 3.64Å
746	I	95.9	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.1	174.1	-53.3	-60.1	0	0	0	108.8	H721 M722 I737 F748 F754 R757	H721-I746 HydrophobicContact CB-CG2 4.42Å; M722-I746 HydrophobicContact CE-CB 3.72Å; M722-I746 HydrophobicContact CE-CG1 3.8Å; I737-I746 PolarHBondContact N-O 3.39Å; I737-I746 PolarHBondContact O-N 2.94Å; I746-F748 HydrophobicContact CB-CE2 3.99Å; I746-F748 HydrophobicContact CG2-CD2 3.86Å; I746-F748 HydrophobicContact CG2-CE1 4.34Å; I746-F748 HydrophobicContact CG2-CE2 3.28Å; I746-F748 HydrophobicContact CG2-CZ 3.56Å; I746-F754 HydrophobicContact CG2-CD2 3.75Å; I746-F754 HydrophobicContact CG2-CE2 3.83Å; I746-R757 HydrophobicContact CD1-CB 4.05Å; I746-R757 HydrophobicContact CD1-CG 3.83Å; I746-R757 VanDerWaalsContact CD1-CZ 3.49Å
747	V	96.7	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.4	178.7	-168.9	0	0	0	0	109.3	E734 Y735 Y736 I755 R756 I758	E734-V747 HydrophobicContact CB-CG1 4.04Å; E734-V747 HydrophobicContact CG-CG1 4.48Å; Y735-V747 WeakPolarHBondContact O-CA 3.29Å; Y736-V747 HydrophobicContact CD1-CB 4.43Å; Y736-V747 HydrophobicContact CD1-CG1 4.14Å; Y736-V747 HydrophobicContact CD1-CG2 3.5Å; Y736-V747 HydrophobicContact CE1-CB 4.44Å; Y736-V747 HydrophobicContact CE1-CG1 3.89Å; Y736-V747 HydrophobicContact CE1-CG2 3.61Å; Y736-V747 HydrophobicContact CE2-CG1 4.35Å; Y736-V747 HydrophobicContact CG-CG1 4.46Å; Y736-V747 HydrophobicContact CG-CG2 4.34Å; V747-I755 HydrophobicContact CG1-CD1 4.18Å; V747-I755 PolarHBondContact O-N 3.36Å; V747-R756 HydrophobicContact CB-CG 3.9Å; V747-R756 HydrophobicContact CG2-CG 3.91Å; V747-R756 PolarHBondContact N-O 3.11Å; V747-R756 PolarHBondContact O-N 3.22Å; V747-I758 HydrophobicContact CG2-CD1 3.64Å; V747-I758 HydrophobicContact CG2-CG1 4.02Å
748	F	96.9	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.3	173.2	-67.5	-83.8	0	0	0	110.7	F716 C718 H721 M722 E734 Y735 I737 I746 S753 F754	F716-F748 HydrophobicContact CE2-CB 3.96Å; F716-F748 HydrophobicContact CE2-CD1 4Å; F716-F748 HydrophobicContact CE2-CD2 4.27Å; F716-F748 AromaticContact CE2-CG 3.82Å; F716-F748 HydrophobicContact CE2-CG 3.82Å; F716-F748 HydrophobicContact CZ-CB 4.01Å; F716-F748 HydrophobicContact CZ-CG 4.37Å; C718-F748 HydrophobicContact CB-CE2 4.07Å; C718-F748 HydrophobicContact CB-CZ 3.79Å; H721-F748 HydrophobicContact CB-CZ 4.03Å; M722-F748 HydrophobicContact CE-CE2 4.24Å; E734-F748 CarbonylContact C-O 3.58Å; E734-F748 WeakPolarHBondContact CA-O 3.48Å; Y735-F748 PolarHBondContact N-O 3.5Å; Y735-F748 PolarHBondContact O-N 3.29Å; I737-F748 HydrophobicContact CD1-CD2 3.65Å; I737-F748 HydrophobicContact CD1-CE2 3.98Å; I746-F748 HydrophobicContact CB-CE2 3.99Å; I746-F748 HydrophobicContact CG2-CD2 3.86Å; I746-F748 HydrophobicContact CG2-CE1 4.34Å; I746-F748 HydrophobicContact CG2-CE2 3.28Å; I746-F748 HydrophobicContact CG2-CZ 3.56Å; F748-S753 WeakPolarHBondContact CA-O 3.35Å; F748-F754 HydrophobicContact CD1-CB 4.33Å; F748-F754 HydrophobicContact CE1-CB 4.12Å
749	Q	95.1	Very high	94.1	Very high	58 Å²	58	39.7 Å²	39.7	27%	0.271	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	154.5	165.7	-176.2	65.9	42.5	0	0	109	R733 D751 G752 S753 I755	R733-Q749 VanDerWaalsContact CB-NE2 3.26Å; R733-Q749 PolarHBondContact O-NE2 3.36Å; R733-Q749 VanDerWaalsContact O-NE2 3.16Å; Q749-D751 WeakPolarHBondContact CB-OD1 3.49Å; Q749-D751 WeakPolarHBondContact CG-OD1 3.2Å; Q749-D751 PolarHBondContact O-N 2.95Å; Q749-G752 PolarHBondContact O-N 3.49Å; Q749-S753 PolarHBondContact N-O 3.33Å; Q749-I755 HydrophobicContact CB-CD1 3.82Å; Q749-I755 HydrophobicContact CB-CG1 4Å
750	E	93	Very high	93.8	Very high	39 Å²	39	40.5 Å²	40.5	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-23	177.6	176.1	171.7	-153.8	0	0	114.3	H690 R714 R733	H690-E750 IonicContact CE1-OE1 3.38Å; H690-E750 IonicContact ND1-OE1 3.04Å; R714-E750 WeakPolarHBondContact CD-O 3.49Å; R733-E750 HydrophobicContact CB-CB 4.24Å; R733-E750 WeakPolarHBondContact O-CB 3.29Å; R733-E750 PolarHBondContact O-N 3.36Å
751	D	92	Very high	93.5	Very high	85 Å²	85	43.9 Å²	43.9	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.9	176.5	69	-14.9	0	0	0	114.3	Q749 S753	Q749-D751 WeakPolarHBondContact CB-OD1 3.49Å; Q749-D751 WeakPolarHBondContact CG-OD1 3.2Å; Q749-D751 PolarHBondContact O-N 2.95Å; D751-S753 VanDerWaalsContact CG-OG 3.29Å; D751-S753 VanDerWaalsContact OD1-CB 3.25Å; D751-S753 WeakPolarHBondContact OD1-CB 3.5Å; D751-S753 PolarHBondContact OD1-N 2.86Å; D751-S753 PolarHBondContact OD1-OG 3.01Å; D751-S753 VanDerWaalsContact OD1-OG 3.11Å; D751-S753 PolarHBondContact OD2-OG 3.41Å
752	G	92.1	Very high	93	Very high	20 Å²	20	39.9 Å²	39.9	21%	0.206	21%	0.212	C	C	.	.	S	Bend	trans	99.1	-1.4	-175.9	0	0	0	0	0	114.6	F716 Q749 F754	F716-G752 VanDerWaalsContact CG-CA 3.43Å; Q749-G752 PolarHBondContact O-N 3.49Å; G752-F754 PolarHBondContact O-N 3.01Å
753	S	94.1	Very high	92.7	Very high	62 Å²	62	41.4 Å²	41.4	43%	0.434	22%	0.218	S	C	.	.			trans	-68.8	128.5	177.9	-61.8	0	0	0	0	110.8	F748 Q749 D751 I755	F748-S753 WeakPolarHBondContact CA-O 3.35Å; Q749-S753 PolarHBondContact N-O 3.33Å; D751-S753 VanDerWaalsContact CG-OG 3.29Å; D751-S753 VanDerWaalsContact OD1-CB 3.25Å; D751-S753 WeakPolarHBondContact OD1-CB 3.5Å; D751-S753 PolarHBondContact OD1-N 2.86Å; D751-S753 PolarHBondContact OD1-OG 3.01Å; D751-S753 VanDerWaalsContact OD1-OG 3.11Å; D751-S753 PolarHBondContact OD2-OG 3.41Å; S753-I755 PolarHBondContact O-N 3.47Å
754	F	95.1	Very high	92.6	Very high	85 Å²	85	40 Å²	40	37%	0.373	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.6	170.9	168.3	-95.2	0	0	0	109.8	H721 I746 F748 G752 R756 R757	H721-F754 HydrophobicContact CB-CD2 4.49Å; H721-F754 AromaticContact CD2-CD2 3.81Å; H721-F754 AromaticContact CD2-CG 3.88Å; H721-F754 AromaticContact NE2-CG 3.93Å; I746-F754 HydrophobicContact CG2-CD2 3.75Å; I746-F754 HydrophobicContact CG2-CE2 3.83Å; F748-F754 HydrophobicContact CD1-CB 4.33Å; F748-F754 HydrophobicContact CE1-CB 4.12Å; G752-F754 PolarHBondContact O-N 3.01Å; F754-R756 WeakPolarHBondContact CE2-O 3.32Å; F754-R756 VanDerWaalsContact CZ-C 3.5Å; F754-R757 HydrophobicContact CZ-CB 4.48Å
755	I	94.3	Very high	92.2	Very high	60 Å²	60	40.8 Å²	40.8	31%	0.308	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-56.1	177.6	-44.4	178.7	0	0	0	111.2	E734 V747 Q749 S753	E734-I755 HydrophobicContact CG-CD1 3.75Å; V747-I755 HydrophobicContact CG1-CD1 4.18Å; V747-I755 PolarHBondContact O-N 3.36Å; Q749-I755 HydrophobicContact CB-CD1 3.82Å; Q749-I755 HydrophobicContact CB-CG1 4Å; S753-I755 PolarHBondContact O-N 3.47Å
756	R	95	Very high	91.9	Very high	48 Å²	48	44.3 Å²	44.3	18%	0.181	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	163.4	-173.7	55.7	-170.9	170.9	-77.8	-5.3	113	E734 Y736 V747 F754 I758 R795	E734-R756 VanDerWaalsContact CD-NH2 3.33Å; E734-R756 IonicContact OE1-CZ 3.14Å; E734-R756 IonicContact OE1-NH1 2.85Å; E734-R756 PolarHBondContact OE1-NH1 2.97Å; E734-R756 IonicContact OE1-NH2 3.5Å; E734-R756 PolarHBondContact OE1-NH2 3.31Å; E734-R756 IonicContact OE2-NH2 3.62Å; E734-R756 PolarHBondContact OE2-NH2 2.95Å; Y736-R756 PolarHBondContact OH-NH2 2.93Å; V747-R756 HydrophobicContact CB-CG 3.9Å; V747-R756 HydrophobicContact CG2-CG 3.91Å; V747-R756 PolarHBondContact N-O 3.11Å; V747-R756 PolarHBondContact O-N 3.22Å; F754-R756 WeakPolarHBondContact CE2-O 3.32Å; F754-R756 VanDerWaalsContact CZ-C 3.5Å; R756-I758 HydrophobicContact CG-CG1 4.41Å; R756-R795 PolarHBondContact NE-O 2.95Å; R756-R795 PolarHBondContact NH2-O 2.98Å
757	R	94.9	Very high	91.8	Very high	119 Å²	119	44.3 Å²	44.3	45%	0.449	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.2	170	-179.5	-179.7	-58.1	-105.2	-6.9	108.2	H721 C744 V745 I746 F754	H721-R757 PolarHBondContact O-NH2 2.9Å; H721-R757 VanDerWaalsContact O-NH2 3.17Å; C744-R757 HydrophobicContact CB-CG 3.88Å; C744-R757 PolarHBondContact SG-NH1 2.92Å; V745-R757 CarbonylContact O-C 3.57Å; V745-R757 WeakPolarHBondContact O-CA 3.48Å; I746-R757 HydrophobicContact CD1-CB 4.05Å; I746-R757 HydrophobicContact CD1-CG 3.83Å; I746-R757 VanDerWaalsContact CD1-CZ 3.49Å; F754-R757 HydrophobicContact CZ-CB 4.48Å
758	I	94.7	Very high	91.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.1	179.5	-58.3	-179.3	0	0	0	108.2	Y736 C744 V745 V747 R756 F793	Y736-I758 HydrophobicContact CD1-CD1 4.27Å; Y736-I758 HydrophobicContact CE1-CD1 4.01Å; C744-I758 WeakPolarHBondContact CB-O 3.15Å; V745-I758 HydrophobicContact CB-CB 4.27Å; V745-I758 PolarHBondContact N-O 3.36Å; V745-I758 PolarHBondContact O-N 2.86Å; V747-I758 HydrophobicContact CG2-CD1 3.64Å; V747-I758 HydrophobicContact CG2-CG1 4.02Å; R756-I758 HydrophobicContact CG-CG1 4.41Å; I758-F793 HydrophobicContact CG2-CB 3.67Å; I758-F793 HydrophobicContact CG2-CD1 3.49Å; I758-F793 VanDerWaalsContact CG2-CD1 3.49Å; I758-F793 HydrophobicContact CG2-CD2 3.64Å; I758-F793 HydrophobicContact CG2-CE1 3.96Å; I758-F793 HydrophobicContact CG2-CE2 4.09Å; I758-F793 HydrophobicContact CG2-CG 3.3Å; I758-F793 HydrophobicContact CG2-CZ 4.23Å
759	G	92	Very high	91.3	Very high	25 Å²	25	45.9 Å²	45.9	26%	0.258	24%	0.24	S	C	.	.			trans	71.5	-163.3	-175.4	0	0	0	0	0	112.9	T764	G759-T764 WeakPolarHBondContact CA-OG1 3.36Å
760	G	88.8	Confident	91.3	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	23%	0.227	C	C	.	.			trans	161.7	178.9	-173.7	0	0	0	0	0	111.3	H743 S762 I763 T764	H743-G760 CarbonylContact O-C 3.58Å; H743-G760 WeakPolarHBondContact O-CA 3.19Å; H743-G760 PolarHBondContact O-N 3.44Å; H743-G760 VanDerWaalsContact O-N 3.13Å; G760-S762 PolarHBondContact O-N 2.96Å; G760-I763 PolarHBondContact O-N 3.05Å; G760-I763 VanDerWaalsContact O-N 3.08Å; G760-T764 PolarHBondContact N-OG1 3.46Å; G760-T764 PolarHBondContact O-N 3.25Å; G760-T764 PolarHBondContact O-OG1 3.13Å
761	E	86.7	Confident	91.4	Very high	135 Å²	135	42.3 Å²	42.3	63%	0.631	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	139.9	172.1	-67.3	-178.7	-166.9	0	0	110.2	H743 I763	H743-E761 HydrophobicContact CB-CG 4.08Å; E761-I763 PolarHBondContact O-N 3.41Å
762	S	81	Confident	91.5	Very high	41 Å²	41	39.1 Å²	39.1	29%	0.287	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-8.7	-177.1	80.1	0	0	0	0	117.3	G760 D765	G760-S762 PolarHBondContact O-N 2.96Å; S762-D765 WeakPolarHBondContact CA-OD2 3.39Å; S762-D765 PolarHBondContact N-OD1 2.76Å
763	I	85.6	Confident	91.4	Very high	44 Å²	44	38.5 Å²	38.5	23%	0.226	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-48.2	176.8	-52.4	177.9	0	0	0	111.1	G760 E761 H789 A791 F793 L799	G760-I763 PolarHBondContact O-N 3.05Å; G760-I763 VanDerWaalsContact O-N 3.08Å; E761-I763 PolarHBondContact O-N 3.41Å; I763-H789 PolarHBondContact O-CE1 3.27Å; I763-A791 HydrophobicContact CG2-CB 4.44Å; I763-F793 HydrophobicContact CG2-CE1 4.2Å; I763-F793 HydrophobicContact CG2-CZ 3.7Å; I763-L799 HydrophobicContact CG2-CD1 4.08Å; I763-L799 HydrophobicContact CG2-CD2 4.09Å
764	T	89.1	Confident	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-126	63.1	-178.7	45.9	0	0	0	0	109.2	H743 G759 G760 F766 P767 V780 A791 F793	H743-T764 CarbonylContact C-O 3.59Å; H743-T764 WeakPolarHBondContact CA-O 3.32Å; H743-T764 PolarHBondContact O-OG1 2.86Å; G759-T764 WeakPolarHBondContact CA-OG1 3.36Å; G760-T764 PolarHBondContact N-OG1 3.46Å; G760-T764 PolarHBondContact O-N 3.25Å; G760-T764 PolarHBondContact O-OG1 3.13Å; T764-F766 PolarHBondContact O-N 3.26Å; T764-P767 WeakPolarHBondContact O-CD 3.5Å; T764-V780 HydrophobicContact CG2-CB 4.02Å; T764-V780 HydrophobicContact CG2-CG1 3.77Å; T764-A791 HydrophobicContact CG2-CB 4Å; T764-F793 HydrophobicContact CG2-CE2 3.58Å; T764-F793 HydrophobicContact CG2-CZ 3.68Å
765	D	87.2	Confident	90.5	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.091	22%	0.22	C	C	.	.	S	Bend	trans	-72.6	115.5	-174.2	-73.1	-39.5	0	0	0	111.2	H743 S762 D782 H784	H743-D765 IonicContact CG-OD1 3.9Å; H743-D765 WeakPolarHBondContact ND1-CA 3.39Å; H743-D765 IonicContact ND1-OD1 3.7Å; H743-D765 PolarHBondContact ND1-OD1 3.19Å; S762-D765 WeakPolarHBondContact CA-OD2 3.39Å; S762-D765 PolarHBondContact N-OD1 2.76Å; D765-D782 WeakPolarHBondContact O-CB 3.15Å; D765-H784 HydrophobicContact CB-CB 3.81Å; D765-H784 IonicContact OD2-ND1 3.28Å
766	F	90.4	Very high	90.1	Very high	74 Å²	74	40.5 Å²	40.5	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	56.6	63.3	-178.7	-50.3	-75.7	0	0	0	113.3	F740 H743 T764 N768 H784	F740-F766 HydrophobicContact CD1-CD1 4.12Å; F740-F766 HydrophobicContact CD2-CB 3.94Å; F740-F766 AromaticContact CE1-CD1 3.67Å; F740-F766 HydrophobicContact CE1-CD1 3.67Å; F740-F766 HydrophobicContact CE1-CE1 4.3Å; F740-F766 HydrophobicContact CE2-CB 3.63Å; F740-F766 HydrophobicContact CE2-CD1 4.16Å; F740-F766 HydrophobicContact CE2-CG 4.28Å; F740-F766 HydrophobicContact CZ-CB 4Å; F740-F766 AromaticContact CZ-CD1 3.69Å; F740-F766 HydrophobicContact CZ-CD1 3.69Å; F740-F766 HydrophobicContact CZ-CG 4.14Å; F740-F766 WeakPolarHBondContact O-CA 3.34Å; F740-F766 WeakPolarHBondContact O-CD1 3.38Å; H743-F766 AromaticContact CE1-CD1 3.72Å; H743-F766 AromaticContact CE1-CD2 3.81Å; H743-F766 AromaticContact CE1-CE1 3.35Å; H743-F766 WeakPolarHBondContact CE1-CE1 3.4Å; H743-F766 AromaticContact CE1-CE2 3.46Å; H743-F766 VanDerWaalsContact CE1-CE2 3.46Å; H743-F766 WeakPolarHBondContact CE1-CE2 3.1Å; H743-F766 AromaticContact CE1-CG 3.95Å; H743-F766 AromaticContact CE1-CZ 3.23Å; H743-F766 WeakPolarHBondContact CE1-CZ 3.49Å; H743-F766 PolarHBondContact ND1-N 2.86Å; H743-F766 AromaticContact NE2-CE1 3.69Å; H743-F766 AromaticContact NE2-CZ 3.84Å; T764-F766 PolarHBondContact O-N 3.26Å; F766-N768 PolarHBondContact O-N 3.39Å; F766-N768 PolarHBondContact O-ND2 3.16Å; F766-H784 AromaticContact CE2-CD2 3.97Å
767	P	93.2	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.9	-177.5	30.7	-34.3	0	0	0	110.2	S726 C738 D739 T764 V780	S726-P767 PolarHBondContact OG-O 2.97Å; C738-P767 HydrophobicContact CB-CB 4.06Å; C738-P767 HydrophobicContact CB-CG 4.05Å; D739-P767 WeakPolarHBondContact O-CD 2.99Å; D739-P767 WeakPolarHBondContact O-CG 3.42Å; T764-P767 WeakPolarHBondContact O-CD 3.5Å; P767-V780 HydrophobicContact CB-CG1 3.6Å
768	N	90.9	Very high	89.9	Confident	31 Å²	31	34.1 Å²	34.1	17%	0.166	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-7.2	-174.8	-76	-68.5	0	0	0	113.9	F740 F766 G781 S813 C815	F740-N768 VanDerWaalsContact CD2-OD1 3.27Å; F740-N768 WeakPolarHBondContact CD2-OD1 3.38Å; F740-N768 WeakPolarHBondContact CE2-OD1 3.25Å; F766-N768 PolarHBondContact O-N 3.39Å; F766-N768 PolarHBondContact O-ND2 3.16Å; N768-G781 PolarHBondContact N-O 2.91Å; N768-S813 WeakPolarHBondContact CB-O 3.18Å; N768-C815 PolarHBondContact O-N 3.04Å
769	G	92.6	Very high	89.8	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144	177.1	0	0	0	0	0	110.5	G781	G769-G781 PolarHBondContact N-O 3.45Å; G769-G781 PolarHBondContact O-N 3.33Å
770	I	95.1	Very high	89.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.3	178.4	-172.8	166.9	0	0	0	110.7	D727 A729 C738 V745 V778 L779 V780	D727-I770 HydrophobicContact CB-CG2 4.22Å; A729-I770 HydrophobicContact CB-CB 4.48Å; A729-I770 HydrophobicContact CB-CG1 4.1Å; A729-I770 HydrophobicContact CB-CG2 3.97Å; C738-I770 WeakPolarHBondContact SG-CB 3.44Å; V745-I770 HydrophobicContact CB-CD1 4.34Å; V745-I770 HydrophobicContact CG1-CD1 3.51Å; V745-I770 HydrophobicContact CG2-CD1 3.84Å; I770-V778 HydrophobicContact CD1-CG1 3.87Å; I770-V778 HydrophobicContact CG1-CG1 4.14Å; I770-L779 VanDerWaalsContact CA-O 3.32Å; I770-L779 WeakPolarHBondContact CA-O 3.46Å; I770-V780 HydrophobicContact CD1-CG2 4.33Å; I770-V780 HydrophobicContact CG1-CG2 4.48Å
771	D	95.1	Very high	90	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.123	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.4	167	-144	25.5	0	0	0	110.4	L779 L816 K817 I818	D771-L779 PolarHBondContact N-O 3.5Å; D771-L779 PolarHBondContact O-N 3.21Å; D771-L816 HydrophobicContact CB-CD2 3.74Å; D771-K817 IonicContact OD1-NZ 2.89Å; D771-K817 PolarHBondContact OD1-NZ 3.07Å; D771-K817 VanDerWaalsContact OD2-CA 3.29Å; D771-K817 WeakPolarHBondContact OD2-CA 3.42Å; D771-I818 HydrophobicContact CB-CD1 4.19Å; D771-I818 HydrophobicContact CB-CG1 4.17Å; D771-I818 PolarHBondContact OD2-N 2.9Å
772	V	93.7	Very high	90.1	Very high	17 Å²	17	26 Å²	26	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.9	177.4	-172.8	0	0	0	0	107.9	A729 H731 Y736 D777 V778	A729-V772 HydrophobicContact CB-CG2 3.94Å; H731-V772 HydrophobicContact CB-CB 3.93Å; H731-V772 HydrophobicContact CB-CG1 3.6Å; H731-V772 HydrophobicContact CB-CG2 4.28Å; Y736-V772 HydrophobicContact CD2-CG2 3.85Å; Y736-V772 HydrophobicContact CE2-CG2 4.22Å; Y736-V772 HydrophobicContact CG-CG2 4.08Å; V772-D777 WeakPolarHBondContact CA-O 3.25Å; V772-V778 HydrophobicContact CG1-CG2 4.42Å; V772-V778 HydrophobicContact CG2-CG1 4.41Å; V772-V778 HydrophobicContact CG2-CG2 4.26Å
773	S	90	Very high	90.1	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.049	13%	0.127	C	C	.	.			trans	-67.9	165.1	175.7	65	0	0	0	0	111.9	H731 H775 G776 D777	H731-S773 PolarHBondContact ND1-O 3.19Å; S773-H775 PolarHBondContact O-N 2.79Å; S773-G776 PolarHBondContact O-N 3.49Å; S773-G776 PolarHBondContact OG-N 3.26Å; S773-D777 PolarHBondContact N-O 3.27Å; S773-D777 WeakPolarHBondContact OG-CB 3.29Å; S773-D777 PolarHBondContact OG-N 3.19Å; S773-D777 PolarHBondContact OG-O 2.92Å
774	D	85	Confident	89.6	Confident	118 Å²	118	25.9 Å²	25.9	63%	0.631	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.6	175.5	-69.6	-29.2	0	0	0	112.8	G776	D774-G776 VanDerWaalsContact C-N 3.29Å
775	H	84.4	Confident	88.8	Confident	129 Å²	129	28 Å²	28	60%	0.597	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.7	174.1	-62.5	-15.9	0	0	0	113.7	S773 C843	S773-H775 PolarHBondContact O-N 2.79Å; H775-C843 PolarHBondContact CE1-OXT 3.27Å
776	G	87.7	Confident	88.1	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.021	17%	0.173	C	C	.	.			trans	88.7	8.8	178.8	0	0	0	0	0	114.7	S773 D774	S773-G776 PolarHBondContact O-N 3.49Å; S773-G776 PolarHBondContact OG-N 3.26Å; D774-G776 VanDerWaalsContact C-N 3.29Å
777	D	90.4	Very high	87.5	Confident	34 Å²	34	31.5 Å²	31.5	18%	0.182	17%	0.17	C	C	.	.			trans	-74.7	133.2	171	-66.3	-23.8	0	0	0	110.5	V772 S773 L779 V792 F793 Y841	V772-D777 WeakPolarHBondContact CA-O 3.25Å; S773-D777 PolarHBondContact N-O 3.27Å; S773-D777 WeakPolarHBondContact OG-CB 3.29Å; S773-D777 PolarHBondContact OG-N 3.19Å; S773-D777 PolarHBondContact OG-O 2.92Å; D777-L779 HydrophobicContact CB-CD1 4.44Å; D777-L779 WeakPolarHBondContact O-CD1 3.49Å; D777-V792 HydrophobicContact CB-CG1 4.39Å; D777-F793 CarbonylContact C-O 3.02Å; D777-F793 WeakPolarHBondContact CA-O 3.39Å; D777-Y841 HydrophobicContact CB-CE1 4.27Å; D777-Y841 WeakPolarHBondContact CB-OH 3.46Å; D777-Y841 VanDerWaalsContact CG-OH 3.28Å; D777-Y841 WeakPolarHBondContact OD2-CE1 3.45Å; D777-Y841 PolarHBondContact OD2-OH 3.38Å
778	V	93.4	Very high	87.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.5	-173.7	-174.7	0	0	0	0	109	Y736 I770 V772 V780 V792 F793	Y736-V778 HydrophobicContact CD1-CG1 3.97Å; Y736-V778 HydrophobicContact CD1-CG2 3.77Å; Y736-V778 HydrophobicContact CE1-CG1 4.48Å; Y736-V778 HydrophobicContact CE1-CG2 3.43Å; Y736-V778 VanDerWaalsContact CE1-CG2 3.43Å; I770-V778 HydrophobicContact CD1-CG1 3.87Å; I770-V778 HydrophobicContact CG1-CG1 4.14Å; V772-V778 HydrophobicContact CG1-CG2 4.42Å; V772-V778 HydrophobicContact CG2-CG1 4.41Å; V772-V778 HydrophobicContact CG2-CG2 4.26Å; V778-V780 HydrophobicContact CG1-CG2 4.09Å; V778-V792 WeakPolarHBondContact O-CA 3.4Å; V778-F793 HydrophobicContact CB-CB 4.37Å; V778-F793 PolarHBondContact N-O 3.43Å; V778-F793 PolarHBondContact O-N 2.99Å
779	L	93.4	Very high	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.7	177.5	-73.5	73.4	0	0	0	109.4	I770 D771 D777 I790 V792 L816 I818 V824 L840 Y841	I770-L779 VanDerWaalsContact CA-O 3.32Å; I770-L779 WeakPolarHBondContact CA-O 3.46Å; D771-L779 PolarHBondContact N-O 3.5Å; D771-L779 PolarHBondContact O-N 3.21Å; D777-L779 HydrophobicContact CB-CD1 4.44Å; D777-L779 WeakPolarHBondContact O-CD1 3.49Å; L779-I790 HydrophobicContact CB-CG2 4.23Å; L779-I790 HydrophobicContact CD2-CG2 4.27Å; L779-I790 HydrophobicContact CG-CG2 4.39Å; L779-V792 HydrophobicContact CG-CG2 4.2Å; L779-L816 HydrophobicContact CB-CD2 4Å; L779-I818 HydrophobicContact CB-CD1 4.16Å; L779-I818 HydrophobicContact CD1-CD1 3.45Å; L779-I818 VanDerWaalsContact CD1-CD1 3.45Å; L779-I818 HydrophobicContact CD2-CD1 3.41Å; L779-I818 VanDerWaalsContact CD2-CD1 3.41Å; L779-I818 HydrophobicContact CD2-CG1 3.93Å; L779-I818 HydrophobicContact CG-CD1 3.81Å; L779-V824 HydrophobicContact CD2-CG2 4.35Å; L779-L840 HydrophobicContact CD2-CD1 4.32Å; L779-Y841 HydrophobicContact CD1-CD2 4.35Å; L779-Y841 HydrophobicContact CD1-CE2 3.76Å; L779-Y841 HydrophobicContact CD2-CD2 4.17Å; L779-Y841 HydrophobicContact CD2-CE2 4.04Å; L779-Y841 HydrophobicContact CG-CE2 4.18Å
780	V	93.7	Very high	87	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.7	-179.4	-172.9	0	0	0	0	108.7	V745 T764 P767 I770 V778 I790 A791 F793	V745-V780 HydrophobicContact CG2-CB 4.44Å; V745-V780 HydrophobicContact CG2-CG1 3.88Å; V745-V780 HydrophobicContact CG2-CG2 3.64Å; T764-V780 HydrophobicContact CG2-CB 4.02Å; T764-V780 HydrophobicContact CG2-CG1 3.77Å; P767-V780 HydrophobicContact CB-CG1 3.6Å; I770-V780 HydrophobicContact CD1-CG2 4.33Å; I770-V780 HydrophobicContact CG1-CG2 4.48Å; V778-V780 HydrophobicContact CG1-CG2 4.09Å; V780-I790 WeakPolarHBondContact O-CA 3.41Å; V780-A791 PolarHBondContact N-O 3.3Å; V780-A791 PolarHBondContact O-N 3.12Å; V780-F793 HydrophobicContact CB-CE2 4.33Å; V780-F793 HydrophobicContact CG2-CD2 3.98Å; V780-F793 HydrophobicContact CG2-CE2 4Å
781	G	91.3	Very high	86.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.9	178	0	0	0	0	0	112	N768 G769 H789	N768-G781 PolarHBondContact N-O 2.91Å; G769-G781 PolarHBondContact N-O 3.45Å; G769-G781 PolarHBondContact O-N 3.33Å; G781-H789 WeakPolarHBondContact CA-O 3.35Å
782	D	89	Confident	86.6	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	166.4	169.4	75.2	75.8	0	0	0	112.4	D765 H784 H789	D765-D782 WeakPolarHBondContact O-CB 3.15Å; D782-H784 PolarHBondContact OD1-N 2.81Å; D782-H784 VanDerWaalsContact OD1-N 3.16Å; D782-H789 PolarHBondContact N-O 3.05Å; D782-H789 PolarHBondContact O-N 3.19Å; D782-H789 IonicContact OD1-ND1 2.98Å; D782-H789 IonicContact OD2-CE1 2.75Å; D782-H789 IonicContact OD2-CG 2.81Å; D782-H789 IonicContact OD2-ND1 2.8Å; D782-H789 PolarHBondContact OD2-ND1 3.22Å
783	S	81	Confident	86.5	Confident	13 Å²	13	29.1 Å²	29.1	9%	0.091	16%	0.156	C	C	.	.			trans	-125.2	26.6	-178.2	48.2	0	0	0	0	112.9	N786 R787 S813	S783-N786 PolarHBondContact O-N 2.89Å; S783-R787 CarbonylContact C-O 3.6Å; S783-R787 VanDerWaalsContact CA-O 3.27Å; S783-R787 WeakPolarHBondContact CA-O 3.44Å; S783-S813 PolarHBondContact OG-N 3.36Å
784	H	75.9	Confident	86.5	Confident	71 Å²	71	29.5 Å²	29.5	33%	0.329	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-63.4	140.6	-178.9	-176	-103.2	0	0	0	111.6	D765 F766 D782 N786 R787	D765-H784 HydrophobicContact CB-CB 3.81Å; D765-H784 IonicContact OD2-ND1 3.28Å; F766-H784 AromaticContact CE2-CD2 3.97Å; D782-H784 PolarHBondContact OD1-N 2.81Å; D782-H784 VanDerWaalsContact OD1-N 3.16Å; H784-N786 VanDerWaalsContact C-N 3.32Å; H784-N786 PolarHBondContact O-N 3.35Å; H784-R787 PolarHBondContact O-N 3.15Å
785	G	71.2	Confident	86.7	Confident	44 Å²	44	29.8 Å²	29.8	45%	0.454	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	66.9	25.8	179.4	0	0	0	0	0	115.2	R787	G785-R787 PolarHBondContact O-N 3.5Å
786	N	73.5	Confident	86.9	Confident	94 Å²	94	27.2 Å²	27.2	50%	0.503	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	61.9	22	-178.7	-64.1	-50.7	0	0	0	114.9	S783 H784 K809 V810 S811	S783-N786 PolarHBondContact O-N 2.89Å; H784-N786 VanDerWaalsContact C-N 3.32Å; H784-N786 PolarHBondContact O-N 3.35Å; N786-K809 WeakPolarHBondContact O-CA 3.39Å; N786-V810 CarbonylContact C-O 3.55Å; N786-V810 VanDerWaalsContact CA-O 3.26Å; N786-V810 WeakPolarHBondContact CA-O 3.31Å; N786-V810 PolarHBondContact O-N 3.32Å; N786-S811 VanDerWaalsContact OD1-CB 3.27Å; N786-S811 WeakPolarHBondContact OD1-CB 3.42Å
787	R	77.5	Confident	87	Confident	70 Å²	70	28.1 Å²	28.1	26%	0.264	16%	0.157	S	C	.	.	S	Bend	trans	-121.4	146.8	176	-62.8	179.6	-61.2	178.4	3.9	108.6	S561 S783 H784 G785 H789 V804	S561-R787 PolarHBondContact O-NH2 2.92Å; S561-R787 VanDerWaalsContact O-NH2 3.17Å; S783-R787 CarbonylContact C-O 3.6Å; S783-R787 VanDerWaalsContact CA-O 3.27Å; S783-R787 WeakPolarHBondContact CA-O 3.44Å; H784-R787 PolarHBondContact O-N 3.15Å; G785-R787 PolarHBondContact O-N 3.5Å; R787-H789 PolarHBondContact O-N 3.47Å; R787-V804 HydrophobicContact CB-CG1 4.2Å
788	F	86.7	Confident	87	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.6	172.5	-173.7	-118.8	0	0	0	109.1	M571 I790 V804 C805 V810 L816 T826 L837	M571-F788 HydrophobicContact CE-CD1 4.29Å; F788-I790 HydrophobicContact CD1-CD1 4.3Å; F788-I790 HydrophobicContact CD1-CG1 4.42Å; F788-I790 HydrophobicContact CE1-CD1 3.4Å; F788-I790 VanDerWaalsContact CE1-CD1 3.4Å; F788-I790 HydrophobicContact CE1-CG1 3.76Å; F788-I790 HydrophobicContact CZ-CD1 3.79Å; F788-I790 HydrophobicContact CZ-CG1 3.88Å; F788-V804 WeakPolarHBondContact O-CA 3.21Å; F788-C805 HydrophobicContact CB-CB 4.43Å; F788-C805 PolarHBondContact O-N 3.42Å; F788-V810 HydrophobicContact CB-CB 4.21Å; F788-V810 HydrophobicContact CB-CG2 4.04Å; F788-L816 HydrophobicContact CZ-CD1 4.08Å; F788-T826 HydrophobicContact CD1-CG2 4.27Å; F788-T826 HydrophobicContact CD2-CG2 4.32Å; F788-T826 HydrophobicContact CE1-CG2 3.72Å; F788-T826 HydrophobicContact CE2-CG2 3.8Å; F788-T826 HydrophobicContact CZ-CG2 3.46Å; F788-T826 VanDerWaalsContact CZ-CG2 3.46Å; F788-L837 HydrophobicContact CD1-CD1 4.01Å; F788-L837 HydrophobicContact CD1-CD2 4.19Å; F788-L837 HydrophobicContact CE1-CD1 3.6Å; F788-L837 HydrophobicContact CE1-CD2 4.5Å
789	H	87.8	Confident	86.8	Confident	20 Å²	20	35.7 Å²	35.7	9%	0.093	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	-179.8	172	-113.8	0	0	0	109.5	I763 G781 D782 R787 E802 F803 V804	I763-H789 PolarHBondContact O-CE1 3.27Å; G781-H789 WeakPolarHBondContact CA-O 3.35Å; D782-H789 PolarHBondContact N-O 3.05Å; D782-H789 PolarHBondContact O-N 3.19Å; D782-H789 IonicContact OD1-ND1 2.98Å; D782-H789 IonicContact OD2-CE1 2.75Å; D782-H789 IonicContact OD2-CG 2.81Å; D782-H789 IonicContact OD2-ND1 2.8Å; D782-H789 PolarHBondContact OD2-ND1 3.22Å; R787-H789 PolarHBondContact O-N 3.47Å; H789-E802 IonicContact CE1-OE2 2.9Å; H789-E802 IonicContact NE2-OE2 3.84Å; H789-E802 PolarHBondContact NE2-OE2 3.29Å; H789-F803 CarbonylContact C-O 3.48Å; H789-F803 WeakPolarHBondContact CA-O 3.45Å; H789-F803 PolarHBondContact CD2-O 3.21Å; H789-F803 VanDerWaalsContact CD2-O 3.29Å; H789-V804 HydrophobicContact CB-CG2 4.49Å
790	I	90.7	Very high	86.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.5	173	-65.2	173.1	0	0	0	107.9	M571 L779 V780 F788 V792 E802 F803 L816 V824 L840	M571-I790 HydrophobicContact CE-CB 4.32Å; M571-I790 HydrophobicContact CE-CD1 3.9Å; M571-I790 HydrophobicContact CE-CG1 4.11Å; M571-I790 HydrophobicContact SD-CD1 3.76Å; M571-I790 HydrophobicContact SD-CG1 4.49Å; L779-I790 HydrophobicContact CB-CG2 4.23Å; L779-I790 HydrophobicContact CD2-CG2 4.27Å; L779-I790 HydrophobicContact CG-CG2 4.39Å; V780-I790 WeakPolarHBondContact O-CA 3.41Å; F788-I790 HydrophobicContact CD1-CD1 4.3Å; F788-I790 HydrophobicContact CD1-CG1 4.42Å; F788-I790 HydrophobicContact CE1-CD1 3.4Å; F788-I790 VanDerWaalsContact CE1-CD1 3.4Å; F788-I790 HydrophobicContact CE1-CG1 3.76Å; F788-I790 HydrophobicContact CZ-CD1 3.79Å; F788-I790 HydrophobicContact CZ-CG1 3.88Å; I790-V792 HydrophobicContact CG2-CG2 4.23Å; I790-E802 CarbonylContact O-C 3.56Å; I790-E802 WeakPolarHBondContact O-CA 3.32Å; I790-F803 HydrophobicContact CB-CB 4.43Å; I790-F803 PolarHBondContact N-O 3.36Å; I790-F803 PolarHBondContact O-N 3Å; I790-L816 HydrophobicContact CD1-CD1 3.72Å; I790-L816 HydrophobicContact CG1-CD1 3.79Å; I790-L816 HydrophobicContact CG2-CD1 4.49Å; I790-V824 HydrophobicContact CD1-CB 4.37Å; I790-V824 HydrophobicContact CD1-CG1 3.65Å; I790-V824 HydrophobicContact CD1-CG2 4.47Å; I790-L840 HydrophobicContact CD1-CD1 4.34Å; I790-L840 HydrophobicContact CG2-CD1 4.43Å
791	A	90.5	Very high	86.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.9	167.3	0	0	0	0	0	109.4	I763 T764 V780 F793 L799	I763-A791 HydrophobicContact CG2-CB 4.44Å; T764-A791 HydrophobicContact CG2-CB 4Å; V780-A791 PolarHBondContact N-O 3.3Å; V780-A791 PolarHBondContact O-N 3.12Å; A791-F793 HydrophobicContact CB-CD2 4.32Å; A791-F793 HydrophobicContact CB-CE2 3.45Å; A791-F793 VanDerWaalsContact CB-CE2 3.45Å; A791-F793 HydrophobicContact CB-CZ 3.86Å; A791-L799 HydrophobicContact CB-CD1 3.99Å
792	V	91.4	Very high	86.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.8	179.8	180	0	0	0	0	108.7	D777 V778 L779 I790 L800 S801 F803 Y841	D777-V792 HydrophobicContact CB-CG1 4.39Å; V778-V792 WeakPolarHBondContact O-CA 3.4Å; L779-V792 HydrophobicContact CG-CG2 4.2Å; I790-V792 HydrophobicContact CG2-CG2 4.23Å; V792-L800 HydrophobicContact CG1-CB 4.2Å; V792-L800 HydrophobicContact CG1-CD1 4.26Å; V792-L800 PolarHBondContact O-N 2.8Å; V792-S801 WeakPolarHBondContact CB-O 3.49Å; V792-S801 WeakPolarHBondContact CB-OG 3.3Å; V792-S801 WeakPolarHBondContact CG2-OG 3.37Å; V792-S801 PolarHBondContact N-O 3.32Å; V792-S801 PolarHBondContact O-N 2.75Å; V792-F803 HydrophobicContact CG2-CD2 3.91Å; V792-F803 HydrophobicContact CG2-CE2 3.77Å; V792-Y841 HydrophobicContact CG1-CE2 4.14Å; V792-Y841 WeakPolarHBondContact CG1-OH 3.34Å; V792-Y841 HydrophobicContact CG2-CE2 4.4Å
793	F	93.1	Very high	86.1	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.8	178.5	-59.3	-92.5	0	0	0	111.3	I758 I763 T764 D777 V778 V780 A791 G797 E798 L799	I758-F793 HydrophobicContact CG2-CB 3.67Å; I758-F793 HydrophobicContact CG2-CD1 3.49Å; I758-F793 VanDerWaalsContact CG2-CD1 3.49Å; I758-F793 HydrophobicContact CG2-CD2 3.64Å; I758-F793 HydrophobicContact CG2-CE1 3.96Å; I758-F793 HydrophobicContact CG2-CE2 4.09Å; I758-F793 HydrophobicContact CG2-CG 3.3Å; I758-F793 HydrophobicContact CG2-CZ 4.23Å; I763-F793 HydrophobicContact CG2-CE1 4.2Å; I763-F793 HydrophobicContact CG2-CZ 3.7Å; T764-F793 HydrophobicContact CG2-CE2 3.58Å; T764-F793 HydrophobicContact CG2-CZ 3.68Å; D777-F793 CarbonylContact C-O 3.02Å; D777-F793 WeakPolarHBondContact CA-O 3.39Å; V778-F793 HydrophobicContact CB-CB 4.37Å; V778-F793 PolarHBondContact N-O 3.43Å; V778-F793 PolarHBondContact O-N 2.99Å; V780-F793 HydrophobicContact CB-CE2 4.33Å; V780-F793 HydrophobicContact CG2-CD2 3.98Å; V780-F793 HydrophobicContact CG2-CE2 4Å; A791-F793 HydrophobicContact CB-CD2 4.32Å; A791-F793 HydrophobicContact CB-CE2 3.45Å; A791-F793 VanDerWaalsContact CB-CE2 3.45Å; A791-F793 HydrophobicContact CB-CZ 3.86Å; F793-G797 WeakPolarHBondContact CD1-O 3.07Å; F793-E798 CarbonylContact C-O 3.58Å; F793-E798 WeakPolarHBondContact CA-O 3.42Å; F793-L799 HydrophobicContact CD1-CB 4.04Å; F793-L799 HydrophobicContact CD1-CD1 4.09Å; F793-L799 HydrophobicContact CE1-CB 3.87Å; F793-L799 HydrophobicContact CE1-CD1 3.65Å; F793-L799 HydrophobicContact CE1-CG 4.35Å; F793-L799 HydrophobicContact CE2-CD1 4.32Å; F793-L799 HydrophobicContact CZ-CD1 3.79Å
794	S	89.9	Confident	86.3	Confident	15 Å²	15	43.9 Å²	43.9	11%	0.105	24%	0.235	C	C	.	.			trans	-65.2	164.4	165.1	73.5	0	0	0	0	109.8	S796 G797 E798	S794-S796 PolarHBondContact O-N 3.37Å; S794-S796 VanDerWaalsContact O-N 3.12Å; S794-S796 PolarHBondContact OG-N 3.41Å; S794-S796 PolarHBondContact OG-OG 3.13Å; S794-G797 PolarHBondContact O-N 3.43Å; S794-G797 PolarHBondContact OG-N 3.43Å; S794-E798 PolarHBondContact N-O 3.08Å; S794-E798 WeakPolarHBondContact OG-CB 3.38Å; S794-E798 PolarHBondContact OG-N 3.08Å; S794-E798 VanDerWaalsContact OG-N 3.12Å
795	R	88.9	Confident	86.7	Confident	123 Å²	123	40.5 Å²	40.5	46%	0.464	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.2	172.8	-168.5	175.3	-178.6	-172.9	1.4	112.9	E734 R756 G797	E734-R795 IonicContact OE1-NH2 3.37Å; E734-R795 IonicContact OE2-CZ 3.93Å; E734-R795 VanDerWaalsContact OE2-CZ 3.3Å; E734-R795 IonicContact OE2-NE 3.5Å; E734-R795 PolarHBondContact OE2-NE 2.83Å; E734-R795 IonicContact OE2-NH2 3.7Å; E734-R795 PolarHBondContact OE2-NH2 2.85Å; R756-R795 PolarHBondContact NE-O 2.95Å; R756-R795 PolarHBondContact NH2-O 2.98Å; R795-G797 VanDerWaalsContact C-N 3.28Å; R795-G797 PolarHBondContact O-N 3.13Å
796	S	89.1	Confident	87	Confident	75 Å²	75	43 Å²	43	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.2	178	57.8	0	0	0	0	113.9	S794	S794-S796 PolarHBondContact O-N 3.37Å; S794-S796 VanDerWaalsContact O-N 3.12Å; S794-S796 PolarHBondContact OG-N 3.41Å; S794-S796 PolarHBondContact OG-OG 3.13Å
797	G	89.8	Confident	87.1	Confident	22 Å²	22	43.5 Å²	43.5	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	98	9.8	-179.1	0	0	0	0	0	114.8	F793 S794 R795	F793-G797 WeakPolarHBondContact CD1-O 3.07Å; S794-G797 PolarHBondContact O-N 3.43Å; S794-G797 PolarHBondContact OG-N 3.43Å; R795-G797 VanDerWaalsContact C-N 3.28Å; R795-G797 PolarHBondContact O-N 3.13Å
798	E	89.6	Confident	87	Confident	131 Å²	131	40.8 Å²	40.8	61%	0.612	21%	0.213	S	C	*	.			trans	-76.7	134.3	174.4	-64	173.3	-174.8	0	0	110.1	F793 S794 L800	F793-E798 CarbonylContact C-O 3.58Å; F793-E798 WeakPolarHBondContact CA-O 3.42Å; S794-E798 PolarHBondContact N-O 3.08Å; S794-E798 WeakPolarHBondContact OG-CB 3.38Å; S794-E798 PolarHBondContact OG-N 3.08Å; S794-E798 VanDerWaalsContact OG-N 3.12Å; E798-L800 PolarHBondContact O-N 2.99Å
799	L	89.5	Confident	86.3	Confident	61 Å²	61	49.3 Å²	49.3	32%	0.319	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	116.2	177	-178.7	69.7	0	0	0	110	R564 I763 A791 F793 E802	R564-L799 VanDerWaalsContact NH2-CD2 3.3Å; I763-L799 HydrophobicContact CG2-CD1 4.08Å; I763-L799 HydrophobicContact CG2-CD2 4.09Å; A791-L799 HydrophobicContact CB-CD1 3.99Å; F793-L799 HydrophobicContact CD1-CB 4.04Å; F793-L799 HydrophobicContact CD1-CD1 4.09Å; F793-L799 HydrophobicContact CE1-CB 3.87Å; F793-L799 HydrophobicContact CE1-CD1 3.65Å; F793-L799 HydrophobicContact CE1-CG 4.35Å; F793-L799 HydrophobicContact CE2-CD1 4.32Å; F793-L799 HydrophobicContact CZ-CD1 3.79Å; L799-E802 HydrophobicContact CD1-CG 3.96Å; L799-E802 HydrophobicContact CD2-CG 4.08Å; L799-E802 WeakPolarHBondContact CD2-OE1 2.99Å; L799-E802 HydrophobicContact CG-CG 4.39Å
800	L	88	Confident	85.6	Confident	90 Å²	90	48.4 Å²	48.4	47%	0.471	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-49.6	-179.8	-62.7	177.9	0	0	0	111.7	V792 E798	V792-L800 HydrophobicContact CG1-CB 4.2Å; V792-L800 HydrophobicContact CG1-CD1 4.26Å; V792-L800 PolarHBondContact O-N 2.8Å; E798-L800 PolarHBondContact O-N 2.99Å
801	S	87.5	Confident	84.4	Confident	37 Å²	37	51 Å²	51	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.9	-176.1	55	0	0	0	0	111.9	V792 F803	V792-S801 WeakPolarHBondContact CB-O 3.49Å; V792-S801 WeakPolarHBondContact CB-OG 3.3Å; V792-S801 WeakPolarHBondContact CG2-OG 3.37Å; V792-S801 PolarHBondContact N-O 3.32Å; V792-S801 PolarHBondContact O-N 2.75Å; S801-F803 WeakPolarHBondContact OG-CE2 3.46Å
802	E	88.2	Confident	83.6	Confident	31 Å²	31	59.2 Å²	59.2	15%	0.145	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.8	177.9	-69.2	174.7	-98.7	0	0	108.8	R564 C568 S569 H789 I790 L799	R564-E802 IonicContact CZ-OE1 3.38Å; R564-E802 IonicContact CZ-OE2 2.85Å; R564-E802 IonicContact NE-OE1 3.09Å; R564-E802 PolarHBondContact NE-OE1 3.06Å; R564-E802 VanDerWaalsContact NE-OE1 3.14Å; R564-E802 IonicContact NE-OE2 3.36Å; R564-E802 PolarHBondContact NE-OE2 3.23Å; R564-E802 IonicContact NH2-OE1 2.68Å; R564-E802 PolarHBondContact NH2-OE1 2.91Å; R564-E802 IonicContact NH2-OE2 3.79Å; C568-E802 CarbonylContact C-O 3.56Å; C568-E802 WeakPolarHBondContact CA-O 3.47Å; C568-E802 HydrophobicContact CB-CB 4.28Å; S569-E802 PolarHBondContact N-O 2.95Å; H789-E802 IonicContact CE1-OE2 2.9Å; H789-E802 IonicContact NE2-OE2 3.84Å; H789-E802 PolarHBondContact NE2-OE2 3.29Å; I790-E802 CarbonylContact O-C 3.56Å; I790-E802 WeakPolarHBondContact O-CA 3.32Å; L799-E802 HydrophobicContact CD1-CG 3.96Å; L799-E802 HydrophobicContact CD2-CG 4.08Å; L799-E802 WeakPolarHBondContact CD2-OE1 2.99Å; L799-E802 HydrophobicContact CG-CG 4.39Å
803	F	88	Confident	82.8	Confident	29 Å²	29	59.3 Å²	59.3	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143	-177.8	-63.7	-85.7	0	0	0	111.7	S569 M571 H789 I790 V792 S801 L840	S569-F803 VanDerWaalsContact CB-CD1 3.4Å; S569-F803 VanDerWaalsContact CB-CE1 3.47Å; S569-F803 CarbonylContact O-C 3.59Å; S569-F803 WeakPolarHBondContact O-CA 3.01Å; M571-F803 HydrophobicContact CE-CB 3.55Å; M571-F803 HydrophobicContact CG-CB 3.71Å; M571-F803 HydrophobicContact CG-CD1 4.08Å; M571-F803 HydrophobicContact CG-CG 4.17Å; M571-F803 HydrophobicContact SD-CB 3.5Å; M571-F803 VanDerWaalsContact SD-CB 3.5Å; M571-F803 HydrophobicContact SD-CG 4.21Å; H789-F803 CarbonylContact C-O 3.48Å; H789-F803 WeakPolarHBondContact CA-O 3.45Å; H789-F803 PolarHBondContact CD2-O 3.21Å; H789-F803 VanDerWaalsContact CD2-O 3.29Å; I790-F803 HydrophobicContact CB-CB 4.43Å; I790-F803 PolarHBondContact N-O 3.36Å; I790-F803 PolarHBondContact O-N 3Å; V792-F803 HydrophobicContact CG2-CD2 3.91Å; V792-F803 HydrophobicContact CG2-CE2 3.77Å; S801-F803 WeakPolarHBondContact OG-CE2 3.46Å; F803-L840 HydrophobicContact CB-CD1 4.48Å; F803-L840 HydrophobicContact CB-CD2 4.43Å; F803-L840 HydrophobicContact CD1-CD2 3.39Å; F803-L840 HydrophobicContact CD2-CD1 3.75Å; F803-L840 HydrophobicContact CD2-CD2 3.98Å; F803-L840 HydrophobicContact CD2-CG 4.46Å; F803-L840 HydrophobicContact CE1-CD2 3.45Å; F803-L840 VanDerWaalsContact CE1-CD2 3.45Å; F803-L840 HydrophobicContact CE2-CD1 4.05Å; F803-L840 HydrophobicContact CE2-CD2 4Å; F803-L840 HydrophobicContact CE2-CG 4.47Å; F803-L840 HydrophobicContact CG-CD1 4.05Å; F803-L840 HydrophobicContact CG-CD2 3.68Å; F803-L840 HydrophobicContact CZ-CD2 3.76Å
804	V	86.9	Confident	82.3	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.4	176.8	178.1	0	0	0	0	110.8	C568 S569 M571 R787 F788 H789 N806	C568-V804 HydrophobicContact CB-CB 4.31Å; C568-V804 HydrophobicContact CB-CG2 3.64Å; S569-V804 PolarHBondContact O-N 3.14Å; M571-V804 PolarHBondContact N-O 2.88Å; R787-V804 HydrophobicContact CB-CG1 4.2Å; F788-V804 WeakPolarHBondContact O-CA 3.21Å; H789-V804 HydrophobicContact CB-CG2 4.49Å; V804-N806 WeakPolarHBondContact CG1-OD1 3.31Å
805	C	84.3	Confident	82.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.7	169	-176.9	0	0	0	0	111	M571 F788 L837	M571-C805 HydrophobicContact CB-CB 4.29Å; M571-C805 HydrophobicContact CE-CB 4.3Å; F788-C805 HydrophobicContact CB-CB 4.43Å; F788-C805 PolarHBondContact O-N 3.42Å; C805-L837 HydrophobicContact CB-CD2 3.53Å
806	N	77.5	Confident	82.4	Confident	97 Å²	97	53.5 Å²	53.5	52%	0.519	27%	0.274	S	S	.	.			trans	-85.8	-7	176.5	-69.1	-39.2	0	0	0	114.7	Q570 V804 T808	Q570-N806 VanDerWaalsContact NE2-N 3.12Å; Q570-N806 PolarHBondContact OE1-ND2 3.16Å; V804-N806 WeakPolarHBondContact CG1-OD1 3.31Å; N806-T808 VanDerWaalsContact C-N 3.33Å; N806-T808 PolarHBondContact O-N 3.38Å
807	Q	75.1	Confident	82.7	Confident	104 Å²	104	51.8 Å²	51.8	49%	0.486	26%	0.258	S	S	.	.	S	Bend	trans	-76.6	-19.4	-174.8	-58.9	-174.6	15.5	0	0	113.3	N572 L573	N572-Q807 PolarHBondContact OD1-NE2 3.5Å; L573-Q807 HydrophobicContact CB-CB 4.35Å; L573-Q807 VanDerWaalsContact CB-OE1 3.31Å
808	T	74	Confident	82.8	Confident	13 Å²	13	51.6 Å²	51.6	8%	0.08	25%	0.251	C	S	.	.	S	Bend	trans	-139.8	135.2	178.2	-178.6	0	0	0	0	110.5	L573 N806 V810 L835	L573-T808 HydrophobicContact CD2-CG2 4.5Å; N806-T808 VanDerWaalsContact C-N 3.33Å; N806-T808 PolarHBondContact O-N 3.38Å; T808-V810 HydrophobicContact CG2-CG2 3.95Å; T808-L835 HydrophobicContact CG2-CD1 3.77Å; T808-L835 HydrophobicContact CG2-CD2 4.08Å
809	K	73.5	Confident	82.9	Confident	181 Å²	181	45.5 Å²	45.5	79%	0.787	22%	0.223	S	C	*	.			trans	-76.9	124	171.4	-67.9	-177.3	-179.7	178.3	0	108.7	N786	N786-K809 WeakPolarHBondContact O-CA 3.39Å
810	V	71.5	Confident	82.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.			trans	-123	108.5	179.3	-176.8	0	0	0	0	107.4	N786 F788 T808 A828 L835	N786-V810 CarbonylContact C-O 3.55Å; N786-V810 VanDerWaalsContact CA-O 3.26Å; N786-V810 WeakPolarHBondContact CA-O 3.31Å; N786-V810 PolarHBondContact O-N 3.32Å; F788-V810 HydrophobicContact CB-CB 4.21Å; F788-V810 HydrophobicContact CB-CG2 4.04Å; T808-V810 HydrophobicContact CG2-CG2 3.95Å; V810-A828 HydrophobicContact CG1-CB 4.2Å; V810-A828 HydrophobicContact CG2-CB 4.5Å; V810-L835 HydrophobicContact CG2-CD1 3.68Å
811	S	66.4	Low	82.6	Confident	55 Å²	55	46.8 Å²	46.8	39%	0.385	23%	0.231	S	C	.	.	S	Bend	trans	-88.4	-25.6	179.6	62.5	0	0	0	0	113.3	N786 S830	N786-S811 VanDerWaalsContact OD1-CB 3.27Å; N786-S811 WeakPolarHBondContact OD1-CB 3.42Å; S811-S830 WeakPolarHBondContact OG-CB 3.49Å; S811-S830 PolarHBondContact OG-OG 2.92Å
812	R	72.9	Confident	82.5	Confident	172 Å²	172	45 Å²	45	65%	0.649	22%	0.218	S	C	*	.			trans	-150	101.4	173.9	-69.3	-169.7	177.9	158.9	-2.1	109	R829	R812-R829 PolarHBondContact O-N 3.05Å
813	S	76.5	Confident	82.6	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	154.3	163.1	48.7	0	0	0	0	110	N768 S783 L827	N768-S813 WeakPolarHBondContact CB-O 3.18Å; S783-S813 PolarHBondContact OG-N 3.36Å; S813-L827 CarbonylContact C-O 3.59Å; S813-L827 WeakPolarHBondContact CA-O 3.33Å
814	C	81	Confident	82.7	Confident	16 Å²	16	45 Å²	45	11%	0.108	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.1	173.7	-61.2	0	0	0	0	108.4	L827 R829	C814-L827 PolarHBondContact N-O 3.01Å; C814-L827 WeakPolarHBondContact O-CB 3.49Å; C814-L827 PolarHBondContact O-N 2.95Å; C814-R829 VanDerWaalsContact SG-CB 3.52Å
815	C	89.3	Confident	83	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.4	157.8	-177.7	-59.9	0	0	0	0	114.4	F593 K639 D727 N768 T826	F593-C815 HydrophobicContact CD1-CB 3.83Å; F593-C815 HydrophobicContact CE1-CB 3.63Å; K639-C815 PolarHBondContact NZ-SG 3.04Å; D727-C815 WeakPolarHBondContact OD2-CA 3.31Å; D727-C815 PolarHBondContact OD2-SG 3.34Å; N768-C815 PolarHBondContact O-N 3.04Å; C815-T826 PolarHBondContact O-OG1 3.38Å
816	L	93.1	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.1	174.6	-176.3	153.6	0	0	0	107.2	D771 L779 F788 I790 I818 V824	D771-L816 HydrophobicContact CB-CD2 3.74Å; L779-L816 HydrophobicContact CB-CD2 4Å; F788-L816 HydrophobicContact CZ-CD1 4.08Å; I790-L816 HydrophobicContact CD1-CD1 3.72Å; I790-L816 HydrophobicContact CG1-CD1 3.79Å; I790-L816 HydrophobicContact CG2-CD1 4.49Å; L816-I818 HydrophobicContact CD2-CG1 4.21Å; L816-V824 HydrophobicContact CD1-CG1 4.09Å; L816-V824 HydrophobicContact CD2-CG1 4.13Å; L816-V824 HydrophobicContact CG-CG1 3.86Å
817	K	93.9	Very high	84.1	Confident	39 Å²	39	40.3 Å²	40.3	17%	0.17	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146	173.9	-66	-70.2	149.3	-161.8	0	111	F593 L595 D771 V825	F593-K817 HydrophobicContact CE1-CG 4.44Å; F593-K817 HydrophobicContact CE2-CB 3.71Å; F593-K817 HydrophobicContact CE2-CG 3.73Å; F593-K817 HydrophobicContact CZ-CB 3.69Å; F593-K817 HydrophobicContact CZ-CG 3.67Å; L595-K817 HydrophobicContact CD1-CB 4.26Å; L595-K817 HydrophobicContact CG-CB 4.12Å; D771-K817 IonicContact OD1-NZ 2.89Å; D771-K817 PolarHBondContact OD1-NZ 3.07Å; D771-K817 VanDerWaalsContact OD2-CA 3.29Å; D771-K817 WeakPolarHBondContact OD2-CA 3.42Å; K817-V825 PolarHBondContact N-O 3.5Å; K817-V825 PolarHBondContact O-N 3.43Å
818	I	92.4	Very high	84.8	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.092	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.1	178	-50.2	163.5	0	0	0	108.2	L595 D771 L779 L816 Y823	L595-I818 WeakPolarHBondContact CD1-O 3.21Å; D771-I818 HydrophobicContact CB-CD1 4.19Å; D771-I818 HydrophobicContact CB-CG1 4.17Å; D771-I818 PolarHBondContact OD2-N 2.9Å; L779-I818 HydrophobicContact CB-CD1 4.16Å; L779-I818 HydrophobicContact CD1-CD1 3.45Å; L779-I818 VanDerWaalsContact CD1-CD1 3.45Å; L779-I818 HydrophobicContact CD2-CD1 3.41Å; L779-I818 VanDerWaalsContact CD2-CD1 3.41Å; L779-I818 HydrophobicContact CD2-CG1 3.93Å; L779-I818 HydrophobicContact CG-CD1 3.81Å; L816-I818 HydrophobicContact CD2-CG1 4.21Å; I818-Y823 WeakPolarHBondContact CA-O 3.45Å
819	T	91	Very high	85.4	Confident	3 Å²	3	37 Å²	37	2%	0.018	17%	0.173	C	C	.	.			trans	-83	165.6	174.4	66.2	0	0	0	0	111.1	L595 K616 E821 G822 Y823 V825	L595-T819 HydrophobicContact CD1-CG2 4.1Å; L595-T819 HydrophobicContact CD2-CG2 4.26Å; K616-T819 HydrophobicContact CD-CG2 4.48Å; T819-E821 PolarHBondContact O-N 3.47Å; T819-E821 PolarHBondContact OG1-N 3.41Å; T819-G822 VanDerWaalsContact O-CA 3.29Å; T819-G822 WeakPolarHBondContact O-CA 3.49Å; T819-G822 PolarHBondContact O-N 3.25Å; T819-G822 PolarHBondContact OG1-N 3.06Å; T819-Y823 PolarHBondContact N-O 2.91Å; T819-Y823 WeakPolarHBondContact OG1-CB 3.42Å; T819-Y823 PolarHBondContact OG1-N 3.48Å; T819-V825 HydrophobicContact CG2-CG2 3.97Å
820	T	86.6	Confident	85.8	Confident	85 Å²	85	31.2 Å²	31.2	52%	0.521	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	171	46.2	0	0	0	0	113.8	E599 G822 C843	E599-T820 VanDerWaalsContact OE1-CB 3.24Å; E599-T820 WeakPolarHBondContact OE1-CB 3.5Å; E599-T820 WeakPolarHBondContact OE1-CG2 3.21Å; E599-T820 PolarHBondContact OE1-N 3.48Å; E599-T820 PolarHBondContact OE1-OG1 3.06Å; E599-T820 PolarHBondContact OE2-N 3.12Å; E599-T820 PolarHBondContact OE2-OG1 2.79Å; T820-G822 PolarHBondContact O-N 3.41Å; T820-C843 WeakPolarHBondContact O-CB 3.41Å
821	E	85	Confident	86.4	Confident	92 Å²	92	32.9 Å²	32.9	43%	0.43	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.1	170.9	-66.9	172.8	-125.9	0	0	112.6	K616 T819 Y823 T839	K616-E821 IonicContact NZ-OE1 3.67Å; K616-E821 PolarHBondContact NZ-OE1 3.12Å; T819-E821 PolarHBondContact O-N 3.47Å; T819-E821 PolarHBondContact OG1-N 3.41Å; E821-Y823 VanDerWaalsContact C-N 3.34Å; E821-Y823 HydrophobicContact CB-CD2 3.98Å; E821-Y823 HydrophobicContact CB-CE2 3.76Å; E821-Y823 HydrophobicContact CG-CE2 4.38Å; E821-Y823 PolarHBondContact O-N 3.34Å; E821-Y823 WeakPolarHBondContact OE2-CE2 3.27Å; E821-Y823 PolarHBondContact OE2-OH 2.88Å; E821-Y823 VanDerWaalsContact OE2-OH 3.05Å; E821-T839 VanDerWaalsContact O-CG2 3.25Å; E821-T839 WeakPolarHBondContact O-CG2 3.49Å; E821-T839 PolarHBondContact O-OG1 3.16Å
822	G	85.3	Confident	87.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.			trans	78.4	10.2	178.2	0	0	0	0	0	115.6	T819 T820 T839 L840 Y841	T819-G822 VanDerWaalsContact O-CA 3.29Å; T819-G822 WeakPolarHBondContact O-CA 3.49Å; T819-G822 PolarHBondContact O-N 3.25Å; T819-G822 PolarHBondContact OG1-N 3.06Å; T820-G822 PolarHBondContact O-N 3.41Å; G822-T839 VanDerWaalsContact O-CA 3.31Å; G822-T839 WeakPolarHBondContact O-CA 3.35Å; G822-L840 PolarHBondContact O-N 3.1Å; G822-Y841 VanDerWaalsContact CA-O 3.27Å; G822-Y841 WeakPolarHBondContact CA-O 3.49Å
823	Y	90.3	Very high	88.4	Confident	61 Å²	61	23.6 Å²	23.6	24%	0.239	13%	0.126	C	C	.	.			trans	-65.7	138.4	171.3	-56.1	-48.3	0	0	0	110	L574 I818 T819 E821 V836 T839	L574-Y823 HydrophobicContact CD1-CD1 3.32Å; L574-Y823 HydrophobicContact CD1-CE1 3.36Å; L574-Y823 HydrophobicContact CD1-CG 4.18Å; I818-Y823 WeakPolarHBondContact CA-O 3.45Å; T819-Y823 PolarHBondContact N-O 2.91Å; T819-Y823 WeakPolarHBondContact OG1-CB 3.42Å; T819-Y823 PolarHBondContact OG1-N 3.48Å; E821-Y823 VanDerWaalsContact C-N 3.34Å; E821-Y823 HydrophobicContact CB-CD2 3.98Å; E821-Y823 HydrophobicContact CB-CE2 3.76Å; E821-Y823 HydrophobicContact CG-CE2 4.38Å; E821-Y823 PolarHBondContact O-N 3.34Å; E821-Y823 WeakPolarHBondContact OE2-CE2 3.27Å; E821-Y823 PolarHBondContact OE2-OH 2.88Å; E821-Y823 VanDerWaalsContact OE2-OH 3.05Å; Y823-V836 HydrophobicContact CG-CG1 4.22Å; Y823-T839 VanDerWaalsContact CD1-OG1 3.26Å; Y823-T839 WeakPolarHBondContact CD1-OG1 3.44Å; Y823-T839 VanDerWaalsContact CE1-OG1 3.23Å; Y823-T839 WeakPolarHBondContact CE1-OG1 3.23Å
824	V	91.4	Very high	89.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.4	173.1	-174.7	0	0	0	0	109.3	L779 I790 L816 V836 L837 L840	L779-V824 HydrophobicContact CD2-CG2 4.35Å; I790-V824 HydrophobicContact CD1-CB 4.37Å; I790-V824 HydrophobicContact CD1-CG1 3.65Å; I790-V824 HydrophobicContact CD1-CG2 4.47Å; L816-V824 HydrophobicContact CD1-CG1 4.09Å; L816-V824 HydrophobicContact CD2-CG1 4.13Å; L816-V824 HydrophobicContact CG-CG1 3.86Å; V824-V836 WeakPolarHBondContact O-CA 3.2Å; V824-L837 HydrophobicContact CB-CB 4.4Å; V824-L837 HydrophobicContact CB-CD1 4.37Å; V824-L837 HydrophobicContact CG1-CD1 4.43Å; V824-L837 PolarHBondContact N-O 3.26Å; V824-L837 WeakPolarHBondContact O-CD1 3.19Å; V824-L837 PolarHBondContact O-N 3.47Å; V824-L840 HydrophobicContact CG2-CB 4.4Å; V824-L840 HydrophobicContact CG2-CD1 3.75Å; V824-L840 HydrophobicContact CG2-CG 3.96Å
825	V	93.2	Very high	89.7	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135	177.8	-170.4	0	0	0	0	108.8	F593 I601 K817 T819 V834 L835 V836	F593-V825 HydrophobicContact CD2-CG1 4.36Å; F593-V825 HydrophobicContact CE2-CB 3.86Å; F593-V825 HydrophobicContact CE2-CG1 3.55Å; F593-V825 HydrophobicContact CZ-CB 3.94Å; F593-V825 HydrophobicContact CZ-CG1 3.81Å; F593-V825 WeakPolarHBondContact CZ-O 3.11Å; I601-V825 HydrophobicContact CD1-CG1 3.72Å; I601-V825 HydrophobicContact CD1-CG2 4.18Å; I601-V825 HydrophobicContact CG1-CG1 4.14Å; I601-V825 HydrophobicContact CG2-CG1 4.34Å; K817-V825 PolarHBondContact N-O 3.5Å; K817-V825 PolarHBondContact O-N 3.43Å; T819-V825 HydrophobicContact CG2-CG2 3.97Å; V825-V834 HydrophobicContact CG1-CG1 3.93Å; V825-L835 WeakPolarHBondContact CA-O 3.31Å; V825-V836 HydrophobicContact CB-CG2 4.43Å; V825-V836 HydrophobicContact CG1-CG2 4.07Å; V825-V836 HydrophobicContact CG2-CG2 3.98Å
826	T	92.8	Very high	89.9	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.5	170.9	-170.4	0	0	0	0	111	F788 C815 L835 L837	F788-T826 HydrophobicContact CD1-CG2 4.27Å; F788-T826 HydrophobicContact CD2-CG2 4.32Å; F788-T826 HydrophobicContact CE1-CG2 3.72Å; F788-T826 HydrophobicContact CE2-CG2 3.8Å; F788-T826 HydrophobicContact CZ-CG2 3.46Å; F788-T826 VanDerWaalsContact CZ-CG2 3.46Å; C815-T826 PolarHBondContact O-OG1 3.38Å; T826-L835 HydrophobicContact CG2-CB 3.86Å; T826-L835 HydrophobicContact CG2-CD1 4.08Å; T826-L835 HydrophobicContact CG2-CG 4.4Å; T826-L835 PolarHBondContact N-O 3.44Å; T826-L835 PolarHBondContact O-N 3.29Å; T826-L837 HydrophobicContact CG2-CD1 4.17Å
827	L	91.7	Very high	89.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.2	172.4	-67.5	173.6	0	0	0	110.7	P590 F593 V603 S813 C814 R829 V834	P590-L827 HydrophobicContact CB-CD1 4.14Å; P590-L827 HydrophobicContact CG-CD2 4.44Å; F593-L827 HydrophobicContact CB-CD1 3.8Å; F593-L827 HydrophobicContact CB-CG 4.26Å; F593-L827 HydrophobicContact CD1-CD1 3.59Å; F593-L827 HydrophobicContact CD1-CG 3.53Å; F593-L827 HydrophobicContact CE1-CG 4.17Å; F593-L827 HydrophobicContact CG-CD1 4.05Å; F593-L827 HydrophobicContact CG-CG 4.08Å; V603-L827 HydrophobicContact CG1-CD1 4.19Å; V603-L827 HydrophobicContact CG1-CD2 4.06Å; V603-L827 HydrophobicContact CG2-CD2 4.19Å; S813-L827 CarbonylContact C-O 3.59Å; S813-L827 WeakPolarHBondContact CA-O 3.33Å; C814-L827 PolarHBondContact N-O 3.01Å; C814-L827 WeakPolarHBondContact O-CB 3.49Å; C814-L827 PolarHBondContact O-N 2.95Å; L827-R829 PolarHBondContact O-N 3.45Å; L827-V834 HydrophobicContact CD2-CB 4.21Å; L827-V834 HydrophobicContact CD2-CG1 4.35Å; L827-V834 HydrophobicContact CD2-CG2 3.48Å; L827-V834 VanDerWaalsContact CD2-CG2 3.48Å
828	A	89	Confident	89.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	87.9	170.7	0	0	0	0	0	110.1	V810 S830 S831 N832 N833 L835	V810-A828 HydrophobicContact CG1-CB 4.2Å; V810-A828 HydrophobicContact CG2-CB 4.5Å; A828-S830 VanDerWaalsContact C-N 3.31Å; A828-S830 PolarHBondContact O-N 3.06Å; A828-S831 WeakPolarHBondContact CB-OG 3.3Å; A828-S831 CarbonylContact O-C 3.56Å; A828-S831 PolarHBondContact O-N 3.11Å; A828-S831 PolarHBondContact O-OG 3.27Å; A828-N832 PolarHBondContact O-N 3.03Å; A828-N833 PolarHBondContact N-O 3.17Å; A828-N833 PolarHBondContact O-N 3.46Å; A828-L835 HydrophobicContact CB-CD1 4.06Å; A828-L835 HydrophobicContact CB-CG 4.33Å
829	R	85.8	Confident	88.2	Confident	47 Å²	47	24.3 Å²	24.3	18%	0.177	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-42.6	-174.9	175.3	177.3	177.2	74.1	4.3	113.7	S589 P590 R812 C814 L827 S831	S589-R829 PolarHBondContact O-NH1 3.3Å; S589-R829 PolarHBondContact OG-NH1 3.5Å; S589-R829 PolarHBondContact OG-NH2 3.16Å; S589-R829 VanDerWaalsContact OG-NH2 3.16Å; P590-R829 PolarHBondContact O-NH1 3.32Å; R812-R829 PolarHBondContact O-N 3.05Å; C814-R829 VanDerWaalsContact SG-CB 3.52Å; L827-R829 PolarHBondContact O-N 3.45Å; R829-S831 VanDerWaalsContact C-N 3.3Å; R829-S831 PolarHBondContact O-N 3.31Å
830	S	82	Confident	87	Confident	60 Å²	60	25.7 Å²	25.7	42%	0.42	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.7	-178.1	55	0	0	0	0	113.7	S811 A828	S811-S830 WeakPolarHBondContact OG-CB 3.49Å; S811-S830 PolarHBondContact OG-OG 2.92Å; A828-S830 VanDerWaalsContact C-N 3.31Å; A828-S830 PolarHBondContact O-N 3.06Å
831	S	85.8	Confident	85.6	Confident	34 Å²	34	23.2 Å²	23.2	24%	0.238	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-4.3	-178.7	73.7	0	0	0	0	113.6	A828 R829 N833	A828-S831 WeakPolarHBondContact CB-OG 3.3Å; A828-S831 CarbonylContact O-C 3.56Å; A828-S831 PolarHBondContact O-N 3.11Å; A828-S831 PolarHBondContact O-OG 3.27Å; R829-S831 VanDerWaalsContact C-N 3.3Å; R829-S831 PolarHBondContact O-N 3.31Å; S831-N833 VanDerWaalsContact C-N 3.31Å; S831-N833 VanDerWaalsContact CB-ND2 3.28Å; S831-N833 WeakPolarHBondContact CB-ND2 3.49Å; S831-N833 PolarHBondContact O-N 3.46Å; S831-N833 PolarHBondContact O-ND2 3.04Å; S831-N833 PolarHBondContact O-OD1 3.3Å; S831-N833 PolarHBondContact OG-ND2 3.38Å
832	N	90.5	Very high	83.6	Confident	18 Å²	18	26.2 Å²	26.2	10%	0.096	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36.4	-178.7	-49.8	-68.6	0	0	0	113.8	G578 S579 L587 S589 A828	G578-N832 CarbonylContact C-O 3.54Å; S579-N832 PolarHBondContact N-O 3.35Å; L587-N832 HydrophobicContact CB-CB 4.43Å; L587-N832 WeakPolarHBondContact O-CB 3.45Å; S589-N832 VanDerWaalsContact CA-OD1 3.26Å; S589-N832 WeakPolarHBondContact CA-OD1 3.48Å; S589-N832 PolarHBondContact N-OD1 3.23Å; A828-N832 PolarHBondContact O-N 3.03Å
833	N	90.7	Very high	81.4	Confident	14 Å²	14	29.4 Å²	29.4	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.8	-175	-54.5	-43	0	0	0	111.5	K576 W577 G578 A828 S831	K576-N833 WeakPolarHBondContact CE-ND2 3.37Å; K576-N833 HydrophobicContact CG-CB 4.21Å; W577-N833 CarbonylContact O-C 3.55Å; W577-N833 WeakPolarHBondContact O-CA 3.46Å; W577-N833 WeakPolarHBondContact O-CB 3.18Å; G578-N833 PolarHBondContact O-OD1 3.21Å; A828-N833 PolarHBondContact N-O 3.17Å; A828-N833 PolarHBondContact O-N 3.46Å; S831-N833 VanDerWaalsContact C-N 3.31Å; S831-N833 VanDerWaalsContact CB-ND2 3.28Å; S831-N833 WeakPolarHBondContact CB-ND2 3.49Å; S831-N833 PolarHBondContact O-N 3.46Å; S831-N833 PolarHBondContact O-ND2 3.04Å; S831-N833 PolarHBondContact O-OD1 3.3Å; S831-N833 PolarHBondContact OG-ND2 3.38Å
834	V	92.8	Very high	80.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.8	163.5	-173.5	0	0	0	0	108	K576 W577 L587 I601 V603 V825 L827	K576-V834 WeakPolarHBondContact CA-O 3.27Å; W577-V834 HydrophobicContact CD2-CB 4.12Å; W577-V834 HydrophobicContact CH2-CG1 4.18Å; W577-V834 HydrophobicContact CZ2-CB 4Å; W577-V834 HydrophobicContact CZ2-CG1 3.69Å; W577-V834 PolarHBondContact N-O 3.37Å; W577-V834 PolarHBondContact O-N 2.96Å; L587-V834 HydrophobicContact CD1-CG2 3.86Å; I601-V834 HydrophobicContact CD1-CG1 4.36Å; I601-V834 HydrophobicContact CG2-CG1 4.23Å; V603-V834 HydrophobicContact CG2-CG2 4.25Å; V825-V834 HydrophobicContact CG1-CG1 3.93Å; L827-V834 HydrophobicContact CD2-CB 4.21Å; L827-V834 HydrophobicContact CD2-CG1 4.35Å; L827-V834 HydrophobicContact CD2-CG2 3.48Å; L827-V834 VanDerWaalsContact CD2-CG2 3.48Å
835	L	91.9	Very high	80.4	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.7	176	-55.1	176.4	0	0	0	108.2	L573 K576 T808 V810 V825 T826 A828 L837	L573-L835 HydrophobicContact CD1-CB 3.97Å; L573-L835 HydrophobicContact CD1-CD2 3.86Å; L573-L835 HydrophobicContact CD1-CG 4.46Å; K576-L835 HydrophobicContact CB-CD2 3.98Å; K576-L835 HydrophobicContact CD-CD2 3.75Å; K576-L835 HydrophobicContact CG-CD2 3.72Å; T808-L835 HydrophobicContact CG2-CD1 3.77Å; T808-L835 HydrophobicContact CG2-CD2 4.08Å; V810-L835 HydrophobicContact CG2-CD1 3.68Å; V825-L835 WeakPolarHBondContact CA-O 3.31Å; T826-L835 HydrophobicContact CG2-CB 3.86Å; T826-L835 HydrophobicContact CG2-CD1 4.08Å; T826-L835 HydrophobicContact CG2-CG 4.4Å; T826-L835 PolarHBondContact N-O 3.44Å; T826-L835 PolarHBondContact O-N 3.29Å; A828-L835 HydrophobicContact CB-CD1 4.06Å; A828-L835 HydrophobicContact CB-CG 4.33Å; L835-L837 HydrophobicContact CB-CD1 4.45Å
836	V	91.9	Very high	79.7	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	168.4	176.7	0	0	0	0	108.1	L574 T575 W577 I601 Y823 V824 V825	L574-V836 WeakPolarHBondContact CB-O 3.47Å; L574-V836 HydrophobicContact CD1-CG1 4.43Å; L574-V836 PolarHBondContact N-O 2.92Å; T575-V836 PolarHBondContact N-O 3.47Å; T575-V836 PolarHBondContact O-N 3.16Å; W577-V836 HydrophobicContact CH2-CB 4.11Å; W577-V836 HydrophobicContact CH2-CG2 3.18Å; W577-V836 HydrophobicContact CZ2-CG2 4.21Å; W577-V836 HydrophobicContact CZ3-CB 3.94Å; W577-V836 HydrophobicContact CZ3-CG2 3.49Å; W577-V836 VanDerWaalsContact CZ3-CG2 3.49Å; I601-V836 HydrophobicContact CD1-CG2 3.94Å; Y823-V836 HydrophobicContact CG-CG1 4.22Å; V824-V836 WeakPolarHBondContact O-CA 3.2Å; V825-V836 HydrophobicContact CB-CG2 4.43Å; V825-V836 HydrophobicContact CG1-CG2 4.07Å; V825-V836 HydrophobicContact CG2-CG2 3.98Å
837	L	89.8	Confident	78.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	158.4	-178.1	-56.5	110.1	0	0	0	109.8	M571 N572 F788 C805 V824 T826 L835	M571-L837 HydrophobicContact CB-CD2 3.98Å; M571-L837 HydrophobicContact CE-CD2 4.34Å; M571-L837 HydrophobicContact SD-CD2 4.34Å; N572-L837 WeakPolarHBondContact O-CA 3.37Å; F788-L837 HydrophobicContact CD1-CD1 4.01Å; F788-L837 HydrophobicContact CD1-CD2 4.19Å; F788-L837 HydrophobicContact CE1-CD1 3.6Å; F788-L837 HydrophobicContact CE1-CD2 4.5Å; C805-L837 HydrophobicContact CB-CD2 3.53Å; V824-L837 HydrophobicContact CB-CB 4.4Å; V824-L837 HydrophobicContact CB-CD1 4.37Å; V824-L837 HydrophobicContact CG1-CD1 4.43Å; V824-L837 PolarHBondContact N-O 3.26Å; V824-L837 WeakPolarHBondContact O-CD1 3.19Å; V824-L837 PolarHBondContact O-N 3.47Å; T826-L837 HydrophobicContact CG2-CD1 4.17Å; L835-L837 HydrophobicContact CB-CD1 4.45Å
838	N	83.8	Confident	78.1	Confident	39 Å²	39	34.7 Å²	34.7	21%	0.209	19%	0.194	C	C	.	.			trans	-57.9	155.7	-179.8	69.6	-45.4	0	0	0	112.2	N572 L574 L840	N572-N838 HydrophobicContact CB-CB 4.27Å; N572-N838 PolarHBondContact N-OD1 3.47Å; N572-N838 PolarHBondContact O-N 3.01Å; N572-N838 PolarHBondContact O-OD1 3.22Å; L574-N838 HydrophobicContact CD1-CB 4.43Å; L574-N838 HydrophobicContact CD2-CB 4.12Å; L574-N838 HydrophobicContact CG-CB 4.1Å; N838-L840 PolarHBondContact O-N 3.12Å
839	T	70	Confident	77.4	Confident	52 Å²	52	37 Å²	37	32%	0.319	21%	0.207	S	C	.	.			trans	-54.7	111.5	176.9	-54.8	0	0	0	0	110.6	E821 G822 Y823 Y841	E821-T839 VanDerWaalsContact O-CG2 3.25Å; E821-T839 WeakPolarHBondContact O-CG2 3.49Å; E821-T839 PolarHBondContact O-OG1 3.16Å; G822-T839 VanDerWaalsContact O-CA 3.31Å; G822-T839 WeakPolarHBondContact O-CA 3.35Å; Y823-T839 VanDerWaalsContact CD1-OG1 3.26Å; Y823-T839 WeakPolarHBondContact CD1-OG1 3.44Å; Y823-T839 VanDerWaalsContact CE1-OG1 3.23Å; Y823-T839 WeakPolarHBondContact CE1-OG1 3.23Å; T839-Y841 WeakPolarHBondContact CG2-O 3.42Å
840	L	67.4	Low	76.8	Confident	32 Å²	32	36.3 Å²	36.3	17%	0.168	21%	0.209	C	C	.	.	S	Bend	trans	-83.8	-24.9	169.3	-68.9	-174.5	0	0	0	111.5	M571 L779 I790 F803 G822 V824 N838	M571-L840 HydrophobicContact CG-CD1 4.49Å; M571-L840 HydrophobicContact CG-CD2 3.51Å; M571-L840 HydrophobicContact CG-CG 4.31Å; M571-L840 HydrophobicContact SD-CD1 3.68Å; M571-L840 HydrophobicContact SD-CD2 3.84Å; M571-L840 HydrophobicContact SD-CG 4.05Å; L779-L840 HydrophobicContact CD2-CD1 4.32Å; I790-L840 HydrophobicContact CD1-CD1 4.34Å; I790-L840 HydrophobicContact CG2-CD1 4.43Å; F803-L840 HydrophobicContact CB-CD1 4.48Å; F803-L840 HydrophobicContact CB-CD2 4.43Å; F803-L840 HydrophobicContact CD1-CD2 3.39Å; F803-L840 HydrophobicContact CD2-CD1 3.75Å; F803-L840 HydrophobicContact CD2-CD2 3.98Å; F803-L840 HydrophobicContact CD2-CG 4.46Å; F803-L840 HydrophobicContact CE1-CD2 3.45Å; F803-L840 VanDerWaalsContact CE1-CD2 3.45Å; F803-L840 HydrophobicContact CE2-CD1 4.05Å; F803-L840 HydrophobicContact CE2-CD2 4Å; F803-L840 HydrophobicContact CE2-CG 4.47Å; F803-L840 HydrophobicContact CG-CD1 4.05Å; F803-L840 HydrophobicContact CG-CD2 3.68Å; F803-L840 HydrophobicContact CZ-CD2 3.76Å; G822-L840 PolarHBondContact O-N 3.1Å; V824-L840 HydrophobicContact CG2-CB 4.4Å; V824-L840 HydrophobicContact CG2-CD1 3.75Å; V824-L840 HydrophobicContact CG2-CG 3.96Å; N838-L840 PolarHBondContact O-N 3.12Å
841	Y	57.4	Low	76.4	Confident	34 Å²	34	34.5 Å²	34.5	13%	0.133	19%	0.192	C	C	.	.			trans	-135.4	133.4	-169.3	-86	-81.2	0	0	0	110.2	D777 L779 V792 G822 T839	D777-Y841 HydrophobicContact CB-CE1 4.27Å; D777-Y841 WeakPolarHBondContact CB-OH 3.46Å; D777-Y841 VanDerWaalsContact CG-OH 3.28Å; D777-Y841 WeakPolarHBondContact OD2-CE1 3.45Å; D777-Y841 PolarHBondContact OD2-OH 3.38Å; L779-Y841 HydrophobicContact CD1-CD2 4.35Å; L779-Y841 HydrophobicContact CD1-CE2 3.76Å; L779-Y841 HydrophobicContact CD2-CD2 4.17Å; L779-Y841 HydrophobicContact CD2-CE2 4.04Å; L779-Y841 HydrophobicContact CG-CE2 4.18Å; V792-Y841 HydrophobicContact CG1-CE2 4.14Å; V792-Y841 WeakPolarHBondContact CG1-OH 3.34Å; V792-Y841 HydrophobicContact CG2-CE2 4.4Å; G822-Y841 VanDerWaalsContact CA-O 3.27Å; G822-Y841 WeakPolarHBondContact CA-O 3.49Å; T839-Y841 WeakPolarHBondContact CG2-O 3.42Å
842	I	42.9	Very low	75.6	Confident	155 Å²	155	34.5 Å²	34.5	80%	0.795	19%	0.189	S	C	*	.			trans	-89.7	111.2	159	-57	172.6	0	0	0	104.5
843	C	37.9	Very low	74.2	Confident	67 Å²	67	36 Å²	36	45%	0.453	20%	0.197	S	C	.	.			trans	-66.8	0	176.1	-62.4	0	0	0	0	111.9	H775 T820	H775-C843 PolarHBondContact CE1-OXT 3.27Å; T820-C843 WeakPolarHBondContact O-CB 3.41Å

Retrieved 843 of 843 residues in 640.5 ms (Link to these results)

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