A0A061AJL2_CAEEL Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A061AJL2, Species CAEEL (Caenorhabditis elegans), Gene nekl-1, Length 945 aa.

						>A0A061AJL2_CAEEL|A0A061AJL2|nekl-1
MLKQYTAGRIRNLGLHIQTRDTKLRILEDMEVTKESLENAGSFVSQFFRWLISEVLIEGAFIDFLLTTPIENASQICLAVQSVSKKKISVRLVSRFLSSELAPHNRRIVEIYINNEIMITNPNPRATSAQNRYERIRTVGKGAFGSAVLYRRREDSSLVIIKEINMYDLDSSQRRLALNEVSLLSRIEHPNIIAYYDSFEEEGVLMIEMEYADGGTLAQMLSRTQNLLDEEQIGDMMIQMCSAVAYLHENSVLHRDLKTANVFLTRDSFVKIGDFGISKIMGTETLAQGAKTVVGTPYYISPEMCSGVSYNEKSDMWALGCILYEMCCLKKAFEGDNLPALVNSIMTCAYTPVKGPYSAEMKMVIRELLQLDPQKRPSAPQALKMLRPSENRHRHTSGSMRSSVSFTTLYDLHVPTITLSSIPDLPSRISIKQVALSKTHTMVLTNDNELFGFGDNSCGQLGFGKFSKMENGRLVESLKGRDIQSVGVGNYFSVICCDRGTLLTFGTAKNLGLGKDAKDSAKPMLLEQLLRENIKDIYCGHDHVVAVLESGECLGWGSNQYGQLGLPTLEHFFAPTKIPMPSNKKIVYGKAGKDATMLLSDDGSLIAMGSNKHNKLNLTQRVGFFTKEKKTPNDYVNKPTILQGFPERVVDFSVGSYHSGVILESGQVMIFGRNDNTELGLGNSQKMAVRCVKPVKSLLHHACTHVLCGDGFTLVSTTEQELYFWGRKDLTDEDVCIDDLEETVTEKKMKRGTTTEIFDKNVVTLPSLILRLQDERGDKGIRLSGLAVSGRKVHVAVDMLEGKRLPSALAERCRSGSAPAINDETTHTWLREEFEKAEIIPIDASKRRVRFDDSCEKLKIMDATAKQNSLLREIEDLKSKIKEQDTTFEGHRNQMSDLESKLQELQAKQSFLRKSEPPPAYDRRNVTYNKLFPERENTSTTCVIL
					

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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	23.3	Very low	32.4	Very low	247 Å²	247	146.3 Å²	146.3	100%	1.217	74%	0.743	S	S	*	*				0	131.6	0	-83.2	-155.2	-87.4	0	0	109.2
2	L	33.5	Very low	32.9	Very low	173 Å²	173	141.3 Å²	141.3	91%	0.906	72%	0.72	S	S	*	*			trans	-60.2	145.4	-175.3	-79.6	126.9	0	0	0	113.7
3	K	25.1	Very low	33.4	Very low	198 Å²	198	133.7 Å²	133.7	86%	0.861	68%	0.681	S	S	*	*			trans	-150.8	109.2	138.1	-107	179.9	-173.3	-178.2	0	111.7
4	Q	30.1	Very low	33.8	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	66%	0.656	S	S	*	*			trans	40.6	116	148.9	-74.9	173.4	-24.3	0	0	120.6	T6	Q4-T6 PolarHBondContact O-N 3.46Å
5	Y	34.8	Very low	34.4	Very low	202 Å²	202	118.5 Å²	118.5	79%	0.792	62%	0.615	S	S	*	*			trans	-43.9	118.5	151.2	-90.1	-98.2	0	0	0	111.3
6	T	30.3	Very low	35.1	Very low	104 Å²	104	115.4 Å²	115.4	64%	0.638	60%	0.596	S	S	*	*			trans	-130.1	129.7	151.9	32.3	0	0	0	0	107.1	Q4 G8	Q4-T6 PolarHBondContact O-N 3.46Å; T6-G8 PolarHBondContact O-N 2.93Å
7	A	36.5	Very low	35.6	Very low	107 Å²	107	109.7 Å²	109.7	88%	0.884	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	132.7	-173.5	0	0	0	0	0	111.9
8	G	35.9	Very low	35.9	Very low	72 Å²	72	109.8 Å²	109.8	74%	0.742	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.2	14.5	156.9	0	0	0	0	0	119.5	T6	T6-G8 PolarHBondContact O-N 2.93Å
9	R	35.3	Very low	36.1	Very low	151 Å²	151	105.8 Å²	105.8	57%	0.57	55%	0.546	S	S	*	.			trans	-130.7	123.7	172.6	-69.4	-174.8	-178.7	180	1.3	112.4	R11	R9-R11 PolarHBondContact O-N 2.68Å
10	I	37.7	Very low	36.2	Very low	50 Å²	50	112.8 Å²	112.8	26%	0.256	57%	0.565	S	S	.	*	B	Isolated β-bridge	trans	-76.9	103	172.2	-54.5	-178.7	0	0	0	107	T68	I10-T68 WeakPolarHBondContact CG1-OG1 3.4Å
11	R	34	Very low	36.4	Very low	132 Å²	132	113 Å²	113	50%	0.498	57%	0.568	S	S	.	*			trans	-92.2	-7.6	-171.4	-98.4	-174.1	172.6	164.4	-0.8	116.8	R9 E31	R9-R11 PolarHBondContact O-N 2.68Å; R11-E31 HydrophobicContact CG-CG 4.22Å; R11-E31 IonicContact CZ-OE1 3.22Å; R11-E31 IonicContact NE-OE1 3.78Å; R11-E31 PolarHBondContact NE-OE1 3.48Å; R11-E31 IonicContact NH2-OE1 2.98Å
12	N	38.7	Very low	37.2	Very low	87 Å²	87	106.7 Å²	106.7	47%	0.465	54%	0.543	S	S	.	.			trans	-153.5	109.2	176.8	-74.9	-51	0	0	0	110.2	T67	N12-T67 HydrophobicContact CB-CG2 4.46Å; N12-T67 PolarHBondContact O-OG1 3.11Å; N12-T67 VanDerWaalsContact O-OG1 3.07Å
13	L	38.9	Very low	37.3	Very low	42 Å²	42	106.7 Å²	106.7	22%	0.22	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	104.8	167.1	-169.8	85.8	0	0	0	108.2	F48 F64 L66	L13-F48 HydrophobicContact CD2-CZ 3.97Å; L13-F64 HydrophobicContact CD1-CD1 4.42Å; L13-L66 HydrophobicContact CD1-CD2 3.86Å
14	G	39.3	Very low	37.9	Very low	31 Å²	31	102 Å²	102	32%	0.32	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.7	170.7	0	0	0	0	0	109.8	L65	G14-L65 PolarHBondContact O-N 3.3Å
15	L	42.5	Very low	38.3	Very low	8 Å²	8	103.1 Å²	103.1	4%	0.042	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.4	175.3	-169.5	84.3	0	0	0	109.4	I17 L27 L51 I62 F64	L15-I17 HydrophobicContact CD2-CD1 3.76Å; L15-I17 HydrophobicContact CD2-CG1 3.98Å; L15-I17 HydrophobicContact CG-CD1 4.49Å; L15-I17 HydrophobicContact CG-CG1 4.17Å; L15-L27 HydrophobicContact CD2-CD1 4.19Å; L15-L51 HydrophobicContact CD1-CD2 4.33Å; L15-L51 HydrophobicContact CD2-CD1 3.99Å; L15-L51 HydrophobicContact CD2-CD2 3.67Å; L15-L51 HydrophobicContact CD2-CG 4.48Å; L15-I62 HydrophobicContact CD1-CG2 3.95Å; L15-F64 HydrophobicContact CD1-CD1 3.88Å; L15-F64 HydrophobicContact CD1-CE1 3.24Å; L15-F64 HydrophobicContact CD1-CE2 4.33Å; L15-F64 HydrophobicContact CD1-CZ 3.52Å
16	H	46.3	Very low	38.7	Very low	69 Å²	69	98.5 Å²	98.5	32%	0.319	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.5	177.3	-139.7	-125.1	0	0	0	109.7	L24 I62 D63	H16-L24 VanDerWaalsContact CE1-CD2 3.41Å; H16-L24 WeakPolarHBondContact CE1-CD2 3.28Å; H16-L24 WeakPolarHBondContact NE2-CD2 3.35Å; H16-L24 WeakPolarHBondContact NE2-CG 3.3Å; H16-I62 WeakPolarHBondContact O-CA 3.43Å; H16-D63 HydrophobicContact CB-CB 4.13Å; H16-D63 PolarHBondContact N-O 3.48Å; H16-D63 PolarHBondContact O-N 3.18Å; H16-D63 VanDerWaalsContact O-N 3.09Å
17	I	43.3	Very low	39.2	Very low	19 Å²	19	97.3 Å²	97.3	10%	0.097	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	179.5	-51.5	176.3	0	0	0	108.6	L15 T19 L51 V55 L56	L15-I17 HydrophobicContact CD2-CD1 3.76Å; L15-I17 HydrophobicContact CD2-CG1 3.98Å; L15-I17 HydrophobicContact CG-CD1 4.49Å; L15-I17 HydrophobicContact CG-CG1 4.17Å; I17-T19 HydrophobicContact CG2-CG2 4.35Å; I17-L51 HydrophobicContact CD1-CD1 3.95Å; I17-V55 HydrophobicContact CD1-CG1 4.34Å; I17-L56 HydrophobicContact CD1-CD2 4.41Å; I17-L56 HydrophobicContact CG2-CD2 3.96Å
18	Q	40.6	Very low	39.3	Very low	111 Å²	111	99.9 Å²	99.9	52%	0.519	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.4	173.7	-165.7	171.3	8	0	0	109.5	F61	Q18-F61 PolarHBondContact N-O 2.87Å; Q18-F61 PolarHBondContact O-N 3.33Å
19	T	39.5	Very low	39.4	Very low	35 Å²	35	103.2 Å²	103.2	22%	0.215	49%	0.488	C	S	.	.			trans	-97.5	166.9	172.5	63.5	0	0	0	0	110.7	I17 D21 T22 I57	I17-T19 HydrophobicContact CG2-CG2 4.35Å; T19-D21 PolarHBondContact O-N 2.87Å; T19-T22 PolarHBondContact O-N 2.9Å; T19-T22 VanDerWaalsContact O-N 3.16Å; T19-I57 HydrophobicContact CG2-CD1 4.35Å
20	R	39	Very low	39.8	Very low	244 Å²	244	99.7 Å²	99.7	92%	0.921	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-17.1	178	-88	-177.3	172.3	174.7	-2.6	113.8
21	D	38.8	Very low	39.9	Very low	118 Å²	118	102.8 Å²	102.8	63%	0.631	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	9.5	-172.5	-20.7	-31.5	0	0	0	112.5	T19 K23	T19-D21 PolarHBondContact O-N 2.87Å; D21-K23 PolarHBondContact O-N 3.03Å
22	T	40	Very low	40.3	Very low	115 Å²	115	97.2 Å²	97.2	71%	0.706	47%	0.473	S	S	*	.			trans	61.4	24.4	170.4	61	0	0	0	0	118	T19	T19-T22 PolarHBondContact O-N 2.9Å; T19-T22 VanDerWaalsContact O-N 3.16Å
23	K	35.7	Very low	40.6	Very low	173 Å²	173	95.6 Å²	95.6	75%	0.752	47%	0.466	S	S	*	.			trans	-93.3	113.4	169.5	-81.2	-175.5	177.5	176.8	0	112	D21	D21-K23 PolarHBondContact O-N 3.03Å
24	L	38	Very low	40.7	Very low	98 Å²	98	99.9 Å²	99.9	51%	0.513	48%	0.483	S	S	.	.			trans	-70.6	134.5	169.8	-121.8	89.3	0	0	0	110.3	H16 I26	H16-L24 VanDerWaalsContact CE1-CD2 3.41Å; H16-L24 WeakPolarHBondContact CE1-CD2 3.28Å; H16-L24 WeakPolarHBondContact NE2-CD2 3.35Å; H16-L24 WeakPolarHBondContact NE2-CG 3.3Å; L24-I26 HydrophobicContact CD2-CD1 4.4Å; L24-I26 HydrophobicContact CD2-CG1 4.44Å
25	R	40	Very low	40.8	Very low	197 Å²	197	105.8 Å²	105.8	74%	0.743	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.1	163.7	-79.5	-172	174.6	-177.8	-0.6	109.4
26	I	41.8	Very low	40.8	Very low	105 Å²	105	107.1 Å²	107.1	54%	0.538	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.6	176	-58.7	171.8	0	0	0	106.7	L24 E28	L24-I26 HydrophobicContact CD2-CD1 4.4Å; L24-I26 HydrophobicContact CD2-CG1 4.44Å; I26-E28 HydrophobicContact CG2-CG 3.91Å
27	L	40.3	Very low	40.7	Very low	79 Å²	79	107.6 Å²	107.6	41%	0.414	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.6	170.1	-72.4	164.5	0	0	0	107.2	L15 F47	L15-L27 HydrophobicContact CD2-CD1 4.19Å; L27-F47 HydrophobicContact CD1-CZ 3.93Å
28	E	38.9	Very low	40.6	Very low	161 Å²	161	112.2 Å²	112.2	75%	0.752	54%	0.538	S	S	*	.			trans	-101.7	150.8	174.3	-81.1	172.4	-179.4	0	0	110.2	I26	I26-E28 HydrophobicContact CG2-CG 3.91Å
29	D	39.4	Very low	40.7	Very low	142 Å²	142	112.3 Å²	112.3	76%	0.759	54%	0.542	S	S	*	.			trans	68.7	52.5	172.4	-58.1	-28	0	0	0	118.5
30	M	42.7	Very low	40.7	Very low	78 Å²	78	114 Å²	114	38%	0.384	56%	0.56	S	S	.	*			trans	-109	116.8	160.2	-74.4	-156.9	-166.2	0	0	112.1	F47	M30-F47 HydrophobicContact CE-CE2 4.44Å
31	E	41.1	Very low	40.8	Very low	114 Å²	114	105 Å²	105	53%	0.533	54%	0.544	S	S	.	.			trans	-85.8	115	172.3	-122.4	-175.7	174.3	0	0	109.6	R11	R11-E31 HydrophobicContact CG-CG 4.22Å; R11-E31 IonicContact CZ-OE1 3.22Å; R11-E31 IonicContact NE-OE1 3.78Å; R11-E31 PolarHBondContact NE-OE1 3.48Å; R11-E31 IonicContact NH2-OE1 2.98Å
32	V	42.5	Very low	41.4	Very low	16 Å²	16	100.2 Å²	100.2	10%	0.097	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	-110	115.5	178.3	177.8	0	0	0	0	109.3	L37 V44	V32-L37 HydrophobicContact CG1-CD1 3.65Å; V32-L37 HydrophobicContact CG1-CD2 4.45Å; V32-L37 HydrophobicContact CG1-CG 3.75Å; V32-V44 HydrophobicContact CG1-CG1 4.08Å; V32-V44 HydrophobicContact CG1-CG2 4.03Å; V32-V44 HydrophobicContact CG2-CG1 4.29Å; V32-V44 HydrophobicContact CG2-CG2 3.91Å
33	T	44.3	Very low	41.7	Very low	52 Å²	52	101.8 Å²	101.8	32%	0.319	52%	0.517	S	S	.	.			trans	-88	152.7	175.3	63.7	0	0	0	0	111.3	E35 S36 L37	T33-E35 PolarHBondContact O-N 3.1Å; T33-S36 WeakPolarHBondContact O-CA 3.22Å; T33-S36 VanDerWaalsContact O-CB 3.27Å; T33-S36 WeakPolarHBondContact O-CB 3.48Å; T33-S36 PolarHBondContact O-N 3.37Å; T33-S36 PolarHBondContact OG1-OG 3.28Å; T33-L37 PolarHBondContact O-N 3.29Å
34	K	41	Very low	42.2	Very low	133 Å²	133	94.4 Å²	94.4	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-52.3	-41.3	176.5	-174.8	178.1	177.8	179.1	0	112.4	S36 L37 E38	K34-S36 VanDerWaalsContact C-N 3.25Å; K34-S36 PolarHBondContact O-N 3.38Å; K34-L37 PolarHBondContact O-N 3.48Å; K34-L37 VanDerWaalsContact O-N 3.17Å; K34-E38 WeakPolarHBondContact CE-OE1 3.22Å; K34-E38 PolarHBondContact O-N 3.35Å
35	E	42	Very low	42.8	Very low	154 Å²	154	91.2 Å²	91.2	72%	0.72	47%	0.472	S	S	*	.	H	α-helix	trans	-64.5	-28.5	178.1	-138.5	171.1	-166.8	0	0	112.9	T33	T33-E35 PolarHBondContact O-N 3.1Å
36	S	42.3	Very low	43.4	Very low	37 Å²	37	87.2 Å²	87.2	26%	0.259	46%	0.462	S	S	.	.	H	α-helix	trans	-75.1	-29.7	176.2	-54.6	0	0	0	0	112.4	T33 K34 S42	T33-S36 WeakPolarHBondContact O-CA 3.22Å; T33-S36 VanDerWaalsContact O-CB 3.27Å; T33-S36 WeakPolarHBondContact O-CB 3.48Å; T33-S36 PolarHBondContact O-N 3.37Å; T33-S36 PolarHBondContact OG1-OG 3.28Å; K34-S36 VanDerWaalsContact C-N 3.25Å; K34-S36 PolarHBondContact O-N 3.38Å; S36-S42 WeakPolarHBondContact O-CB 3.34Å; S36-S42 PolarHBondContact O-OG 2.73Å
37	L	43.7	Very low	44	Very low	79 Å²	79	83.7 Å²	83.7	41%	0.414	44%	0.442	S	S	.	.	H	α-helix	trans	-79	-26.5	179.7	-82.1	156.2	0	0	0	112.7	V32 T33 K34 V44	V32-L37 HydrophobicContact CG1-CD1 3.65Å; V32-L37 HydrophobicContact CG1-CD2 4.45Å; V32-L37 HydrophobicContact CG1-CG 3.75Å; T33-L37 PolarHBondContact O-N 3.29Å; K34-L37 PolarHBondContact O-N 3.48Å; K34-L37 VanDerWaalsContact O-N 3.17Å; L37-V44 HydrophobicContact CD2-CG1 4.11Å
38	E	41.5	Very low	44.6	Very low	116 Å²	116	82.2 Å²	82.2	54%	0.542	43%	0.433	S	S	.	.	H	α-helix	trans	-84.8	-22.5	-175.5	-69.5	172.9	-178.9	0	0	112.9	K34 Q75	K34-E38 WeakPolarHBondContact CE-OE1 3.22Å; K34-E38 PolarHBondContact O-N 3.35Å; E38-Q75 PolarHBondContact OE1-NE2 3.33Å
39	N	42	Very low	45.3	Very low	112 Å²	112	81.8 Å²	81.8	60%	0.599	42%	0.424	S	S	*	.			trans	-89.6	116	-179.1	-118.2	-31.6	0	0	0	112	G41 S42	N39-G41 PolarHBondContact O-N 3.29Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 3.42Å
40	A	40	Very low	46.3	Very low	71 Å²	71	81.4 Å²	81.4	59%	0.587	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.1	-177.2	0	0	0	0	0	114.6
41	G	40.2	Very low	46.8	Very low	56 Å²	56	78 Å²	78	58%	0.577	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.6	174.5	0	0	0	0	0	115.1	N39 Q46	N39-G41 PolarHBondContact O-N 3.29Å; G41-Q46 PolarHBondContact O-NE2 3.49Å
42	S	52.7	Low	47.4	Very low	17 Å²	17	73.8 Å²	73.8	12%	0.119	38%	0.376	C	S	.	.	S	Bend	trans	-69.1	152.7	-174.8	89.8	0	0	0	0	113.3	S36 N39 V44 S45 Q46	S36-S42 WeakPolarHBondContact O-CB 3.34Å; S36-S42 PolarHBondContact O-OG 2.73Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 3.42Å; S42-V44 PolarHBondContact O-N 3.4Å; S42-V44 PolarHBondContact OG-N 3.34Å; S42-S45 PolarHBondContact O-N 3.03Å; S42-S45 PolarHBondContact OG-N 2.94Å; S42-Q46 WeakPolarHBondContact O-CG 3.42Å; S42-Q46 PolarHBondContact O-N 3.17Å
43	F	44.9	Very low	47.9	Very low	148 Å²	148	76 Å²	76	65%	0.649	39%	0.393	S	S	*	.	H	α-helix	trans	-54.3	-35.8	174.4	-178.3	-99.4	0	0	0	112.4	Q46 F47	F43-Q46 PolarHBondContact O-N 3.43Å; F43-F47 VanDerWaalsContact O-CB 3.24Å; F43-F47 WeakPolarHBondContact O-CB 3.14Å; F43-F47 PolarHBondContact O-N 2.91Å
44	V	46.5	Very low	48.1	Very low	17 Å²	17	80.4 Å²	80.4	10%	0.103	41%	0.41	C	S	.	.	H	α-helix	trans	-69.6	-43.9	-179	-179.7	0	0	0	0	111.2	V32 L37 S42 F47 F48	V32-V44 HydrophobicContact CG1-CG1 4.08Å; V32-V44 HydrophobicContact CG1-CG2 4.03Å; V32-V44 HydrophobicContact CG2-CG1 4.29Å; V32-V44 HydrophobicContact CG2-CG2 3.91Å; L37-V44 HydrophobicContact CD2-CG1 4.11Å; S42-V44 PolarHBondContact O-N 3.4Å; S42-V44 PolarHBondContact OG-N 3.34Å; V44-F47 PolarHBondContact O-N 2.85Å; V44-F48 HydrophobicContact CG1-CD2 4Å; V44-F48 HydrophobicContact CG1-CE2 3.92Å; V44-F48 VanDerWaalsContact O-CD2 3.29Å; V44-F48 WeakPolarHBondContact O-CD2 3.19Å; V44-F48 PolarHBondContact O-N 3.46Å
45	S	50.6	Low	48.5	Very low	32 Å²	32	76.5 Å²	76.5	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-40.9	176	-177.4	0	0	0	0	111.6	S42 F48 R49	S42-S45 PolarHBondContact O-N 3.03Å; S42-S45 PolarHBondContact OG-N 2.94Å; S45-F48 PolarHBondContact O-N 3.34Å; S45-R49 WeakPolarHBondContact O-CG 3.25Å; S45-R49 PolarHBondContact O-N 2.95Å; S45-R49 VanDerWaalsContact O-N 3.1Å
46	Q	52.5	Low	49	Very low	113 Å²	113	69.4 Å²	69.4	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-39.1	174.9	-68	-177.2	42	0	0	112	G41 S42 F43 R49 W50	G41-Q46 PolarHBondContact O-NE2 3.49Å; S42-Q46 WeakPolarHBondContact O-CG 3.42Å; S42-Q46 PolarHBondContact O-N 3.17Å; F43-Q46 PolarHBondContact O-N 3.43Å; Q46-R49 PolarHBondContact O-N 3.25Å; Q46-W50 WeakPolarHBondContact O-CB 3.48Å; Q46-W50 PolarHBondContact O-N 3.32Å
47	F	53.9	Low	49.4	Very low	31 Å²	31	72.3 Å²	72.3	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-47	175.4	172.7	-99.1	0	0	0	112.1	L27 M30 F43 V44 R49 W50 L51	L27-F47 HydrophobicContact CD1-CZ 3.93Å; M30-F47 HydrophobicContact CE-CE2 4.44Å; F43-F47 VanDerWaalsContact O-CB 3.24Å; F43-F47 WeakPolarHBondContact O-CB 3.14Å; F43-F47 PolarHBondContact O-N 2.91Å; V44-F47 PolarHBondContact O-N 2.85Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.91Å; F47-W50 HydrophobicContact CD2-CE3 4.02Å; F47-W50 HydrophobicContact CD2-CZ3 4.25Å; F47-W50 HydrophobicContact CE2-CE3 4.06Å; F47-W50 AromaticContact CE2-CZ3 3.87Å; F47-W50 HydrophobicContact CE2-CZ3 3.87Å; F47-W50 PolarHBondContact O-N 3Å; F47-L51 HydrophobicContact CZ-CD1 4.24Å; F47-L51 VanDerWaalsContact O-CB 3.31Å; F47-L51 WeakPolarHBondContact O-CB 3.32Å; F47-L51 PolarHBondContact O-N 3.17Å
48	F	52.9	Low	49.6	Very low	47 Å²	47	74.9 Å²	74.9	21%	0.206	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-37.5	177.6	-84.7	-70.2	0	0	0	112.5	L13 V44 S45 L51 I52 F64	L13-F48 HydrophobicContact CD2-CZ 3.97Å; V44-F48 HydrophobicContact CG1-CD2 4Å; V44-F48 HydrophobicContact CG1-CE2 3.92Å; V44-F48 VanDerWaalsContact O-CD2 3.29Å; V44-F48 WeakPolarHBondContact O-CD2 3.19Å; V44-F48 PolarHBondContact O-N 3.46Å; S45-F48 PolarHBondContact O-N 3.34Å; F48-L51 HydrophobicContact CD1-CD2 4.32Å; F48-L51 HydrophobicContact CE1-CD2 4.48Å; F48-L51 PolarHBondContact O-N 2.87Å; F48-I52 WeakPolarHBondContact O-CB 3.44Å; F48-I52 WeakPolarHBondContact O-CD1 3.47Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.37Å; F48-F64 AromaticContact CE1-CE1 3.63Å; F48-F64 HydrophobicContact CE1-CE1 3.63Å; F48-F64 AromaticContact CE1-CZ 3.75Å; F48-F64 HydrophobicContact CE1-CZ 3.75Å; F48-F64 AromaticContact CZ-CE1 3.92Å; F48-F64 HydrophobicContact CZ-CE1 3.92Å; F48-F64 HydrophobicContact CZ-CZ 4.47Å
49	R	54.9	Low	49.6	Very low	153 Å²	153	71.8 Å²	71.8	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-44.6	172.6	-74	-175.6	-162.6	155.9	7.6	111.7	S45 Q46 F47 S53	S45-R49 WeakPolarHBondContact O-CG 3.25Å; S45-R49 PolarHBondContact O-N 2.95Å; S45-R49 VanDerWaalsContact O-N 3.1Å; Q46-R49 PolarHBondContact O-N 3.25Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.91Å; R49-S53 WeakPolarHBondContact O-CB 3.25Å; R49-S53 PolarHBondContact O-N 3.27Å; R49-S53 PolarHBondContact O-OG 2.93Å
50	W	59.1	Low	49.7	Very low	134 Å²	134	66.6 Å²	66.6	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-45.5	175.2	172.4	77.5	0	0	0	112	Q46 F47 I52 S53 E54 V55	Q46-W50 WeakPolarHBondContact O-CB 3.48Å; Q46-W50 PolarHBondContact O-N 3.32Å; F47-W50 HydrophobicContact CD2-CE3 4.02Å; F47-W50 HydrophobicContact CD2-CZ3 4.25Å; F47-W50 HydrophobicContact CE2-CE3 4.06Å; F47-W50 AromaticContact CE2-CZ3 3.87Å; F47-W50 HydrophobicContact CE2-CZ3 3.87Å; F47-W50 PolarHBondContact O-N 3Å; W50-I52 PolarHBondContact O-N 2.83Å; W50-S53 WeakPolarHBondContact CA-OG 3.47Å; W50-S53 PolarHBondContact O-N 3.37Å; W50-S53 PolarHBondContact O-OG 3.16Å; W50-E54 WeakPolarHBondContact O-CB 3.29Å; W50-E54 PolarHBondContact O-N 2.92Å; W50-V55 HydrophobicContact CD2-CG2 4.41Å; W50-V55 HydrophobicContact CE3-CG2 4.22Å; W50-V55 HydrophobicContact CH2-CG2 3.6Å; W50-V55 HydrophobicContact CZ2-CG2 3.78Å; W50-V55 HydrophobicContact CZ3-CG2 3.83Å
51	L	53.1	Low	49.9	Very low	5 Å²	5	69 Å²	69	3%	0.026	36%	0.355	C	S	.	.	I	π-helix	trans	-59.4	-45.3	178.1	-171.1	81.4	0	0	0	111.8	L15 I17 F47 F48 V55 L56	L15-L51 HydrophobicContact CD1-CD2 4.33Å; L15-L51 HydrophobicContact CD2-CD1 3.99Å; L15-L51 HydrophobicContact CD2-CD2 3.67Å; L15-L51 HydrophobicContact CD2-CG 4.48Å; I17-L51 HydrophobicContact CD1-CD1 3.95Å; F47-L51 HydrophobicContact CZ-CD1 4.24Å; F47-L51 VanDerWaalsContact O-CB 3.31Å; F47-L51 WeakPolarHBondContact O-CB 3.32Å; F47-L51 PolarHBondContact O-N 3.17Å; F48-L51 HydrophobicContact CD1-CD2 4.32Å; F48-L51 HydrophobicContact CE1-CD2 4.48Å; F48-L51 PolarHBondContact O-N 2.87Å; L51-V55 HydrophobicContact CD1-CB 4.05Å; L51-V55 HydrophobicContact CD1-CG1 4.14Å; L51-V55 HydrophobicContact CD1-CG2 4.27Å; L51-V55 WeakPolarHBondContact O-CB 3.46Å; L51-V55 PolarHBondContact O-N 3.48Å; L51-L56 HydrophobicContact CD2-CD1 4.18Å; L51-L56 HydrophobicContact CG-CD1 4.06Å; L51-L56 HydrophobicContact CG-CG 4.4Å; L51-L56 WeakPolarHBondContact O-CG 2.91Å; L51-L56 PolarHBondContact O-N 3.13Å
52	I	54.7	Low	50.2	Low	26 Å²	26	66.5 Å²	66.5	13%	0.133	33%	0.328	C	S	.	.	I	π-helix	trans	-71.1	-36.6	179.7	-65	165.4	0	0	0	111.9	F48 W50 L56 V83 K86	F48-I52 WeakPolarHBondContact O-CB 3.44Å; F48-I52 WeakPolarHBondContact O-CD1 3.47Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.37Å; W50-I52 PolarHBondContact O-N 2.83Å; I52-L56 HydrophobicContact CG1-CD1 4.14Å; I52-V83 HydrophobicContact CD1-CG2 3.61Å; I52-V83 HydrophobicContact CG1-CG2 4.2Å; I52-K86 WeakPolarHBondContact O-CE 3.1Å; I52-K86 PolarHBondContact O-NZ 2.98Å
53	S	52.6	Low	49.8	Very low	63 Å²	63	68 Å²	68	44%	0.441	34%	0.335	S	S	.	.	I	π-helix	trans	-79.5	-51.6	-178.4	49.6	0	0	0	0	112.6	R49 W50 K86	R49-S53 WeakPolarHBondContact O-CB 3.25Å; R49-S53 PolarHBondContact O-N 3.27Å; R49-S53 PolarHBondContact O-OG 2.93Å; W50-S53 WeakPolarHBondContact CA-OG 3.47Å; W50-S53 PolarHBondContact O-N 3.37Å; W50-S53 PolarHBondContact O-OG 3.16Å; S53-K86 PolarHBondContact O-NZ 2.82Å
54	E	49.3	Very low	50	Low	145 Å²	145	62.1 Å²	62.1	68%	0.678	31%	0.309	S	S	*	.	I	π-helix	trans	-100.3	-27.3	-166.5	-61.6	-60.2	137.2	0	0	114.4	W50	W50-E54 WeakPolarHBondContact O-CB 3.29Å; W50-E54 PolarHBondContact O-N 2.92Å
55	V	49.4	Very low	49.8	Very low	51 Å²	51	65.9 Å²	65.9	31%	0.309	33%	0.328	S	S	.	.	I	π-helix	trans	-104.5	-34.5	-172	-175.5	0	0	0	0	112.8	I17 W50 L51	I17-V55 HydrophobicContact CD1-CG1 4.34Å; W50-V55 HydrophobicContact CD2-CG2 4.41Å; W50-V55 HydrophobicContact CE3-CG2 4.22Å; W50-V55 HydrophobicContact CH2-CG2 3.6Å; W50-V55 HydrophobicContact CZ2-CG2 3.78Å; W50-V55 HydrophobicContact CZ3-CG2 3.83Å; L51-V55 HydrophobicContact CD1-CB 4.05Å; L51-V55 HydrophobicContact CD1-CG1 4.14Å; L51-V55 HydrophobicContact CD1-CG2 4.27Å; L51-V55 WeakPolarHBondContact O-CB 3.46Å; L51-V55 PolarHBondContact O-N 3.48Å
56	L	51	Low	49.5	Very low	5 Å²	5	65.7 Å²	65.7	3%	0.026	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-93	117.5	-173.8	-67.4	165.4	0	0	0	112.6	I17 L51 I52 A60 I62 K86 I88	I17-L56 HydrophobicContact CD1-CD2 4.41Å; I17-L56 HydrophobicContact CG2-CD2 3.96Å; L51-L56 HydrophobicContact CD2-CD1 4.18Å; L51-L56 HydrophobicContact CG-CD1 4.06Å; L51-L56 HydrophobicContact CG-CG 4.4Å; L51-L56 WeakPolarHBondContact O-CG 2.91Å; L51-L56 PolarHBondContact O-N 3.13Å; I52-L56 HydrophobicContact CG1-CD1 4.14Å; L56-A60 HydrophobicContact CD2-CB 4.27Å; L56-I62 HydrophobicContact CD1-CD1 3.31Å; L56-I62 HydrophobicContact CD2-CD1 3.43Å; L56-I62 VanDerWaalsContact CD2-CD1 3.43Å; L56-I62 HydrophobicContact CD2-CG1 3.8Å; L56-I62 HydrophobicContact CG-CD1 4Å; L56-K86 PolarHBondContact O-NZ 3.28Å; L56-K86 VanDerWaalsContact O-NZ 3.17Å; L56-I88 HydrophobicContact CB-CD1 3.77Å; L56-I88 HydrophobicContact CD1-CD1 4.34Å
57	I	51.5	Low	48.9	Very low	97 Å²	97	64 Å²	64	50%	0.497	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-89.3	153.8	172	40.6	170.2	0	0	0	111.6	T19 G59 A60	T19-I57 HydrophobicContact CG2-CD1 4.35Å; I57-G59 PolarHBondContact O-N 3.08Å; I57-A60 VanDerWaalsContact O-CB 3.29Å; I57-A60 WeakPolarHBondContact O-CB 3.27Å; I57-A60 PolarHBondContact O-N 3.12Å
58	E	48	Very low	48.2	Very low	133 Å²	133	64.5 Å²	64.5	62%	0.621	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	129.5	-178.9	-151.5	175.7	-171.1	0	0	110.8	K87	E58-K87 HydrophobicContact CG-CB 3.88Å; E58-K87 WeakPolarHBondContact OE1-CD 3.05Å
59	G	41.4	Very low	47.6	Very low	51 Å²	51	65.2 Å²	65.2	53%	0.526	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	5.8	-173.9	0	0	0	0	0	116.2	I57 K87	I57-G59 PolarHBondContact O-N 3.08Å; G59-K87 PolarHBondContact N-O 2.98Å
60	A	43.7	Very low	47.1	Very low	4 Å²	4	59.5 Å²	59.5	3%	0.033	32%	0.317	C	S	.	.			trans	-69.8	149.8	171.5	0	0	0	0	0	112.4	L56 I57 I88 S89	L56-A60 HydrophobicContact CD2-CB 4.27Å; I57-A60 VanDerWaalsContact O-CB 3.29Å; I57-A60 WeakPolarHBondContact O-CB 3.27Å; I57-A60 PolarHBondContact O-N 3.12Å; A60-I88 WeakPolarHBondContact O-CG2 3.49Å; A60-S89 PolarHBondContact O-N 3.45Å
61	F	45	Very low	46.2	Very low	122 Å²	122	62.2 Å²	62.2	54%	0.535	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	173.5	-84.5	-95.5	0	0	0	110.4	Q18 S89	Q18-F61 PolarHBondContact N-O 2.87Å; Q18-F61 PolarHBondContact O-N 3.33Å; F61-S89 VanDerWaalsContact CD1-CB 3.47Å
62	I	45.8	Very low	45.8	Very low	2 Å²	2	66 Å²	66	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.8	-179.3	-49.9	171.4	0	0	0	109.9	L15 H16 L56 F64 I88 S89 V90 R91	L15-I62 HydrophobicContact CD1-CG2 3.95Å; H16-I62 WeakPolarHBondContact O-CA 3.43Å; L56-I62 HydrophobicContact CD1-CD1 3.31Å; L56-I62 HydrophobicContact CD2-CD1 3.43Å; L56-I62 VanDerWaalsContact CD2-CD1 3.43Å; L56-I62 HydrophobicContact CD2-CG1 3.8Å; L56-I62 HydrophobicContact CG-CD1 4Å; I62-F64 HydrophobicContact CB-CE2 4.39Å; I62-F64 HydrophobicContact CG2-CD2 3.97Å; I62-F64 HydrophobicContact CG2-CE2 3.56Å; I62-F64 HydrophobicContact CG2-CZ 4.06Å; I62-I88 HydrophobicContact CD1-CG2 3.72Å; I62-I88 HydrophobicContact CG1-CG2 4.09Å; I62-S89 PolarHBondContact N-O 2.75Å; I62-V90 WeakPolarHBondContact O-CA 3.01Å; I62-R91 PolarHBondContact O-N 3Å
63	D	44.8	Very low	45.1	Very low	49 Å²	49	66.6 Å²	66.6	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.8	172.7	-71.2	-2.5	0	0	0	109.4	H16 R91	H16-D63 HydrophobicContact CB-CB 4.13Å; H16-D63 PolarHBondContact N-O 3.48Å; H16-D63 PolarHBondContact O-N 3.18Å; H16-D63 VanDerWaalsContact O-N 3.09Å; D63-R91 WeakPolarHBondContact OD1-CB 3.36Å; D63-R91 WeakPolarHBondContact OD1-CD 3.48Å; D63-R91 IonicContact OD1-NH1 3.71Å; D63-R91 IonicContact OD2-NH1 2.83Å; D63-R91 PolarHBondContact OD2-NH1 3.19Å
64	F	48.1	Very low	44.6	Very low	24 Å²	24	67.1 Å²	67.1	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.3	171.2	-76.1	-84.7	0	0	0	109.8	L13 L15 F48 I62 V90 R91 L92 V93	L13-F64 HydrophobicContact CD1-CD1 4.42Å; L15-F64 HydrophobicContact CD1-CD1 3.88Å; L15-F64 HydrophobicContact CD1-CE1 3.24Å; L15-F64 HydrophobicContact CD1-CE2 4.33Å; L15-F64 HydrophobicContact CD1-CZ 3.52Å; F48-F64 AromaticContact CE1-CE1 3.63Å; F48-F64 HydrophobicContact CE1-CE1 3.63Å; F48-F64 AromaticContact CE1-CZ 3.75Å; F48-F64 HydrophobicContact CE1-CZ 3.75Å; F48-F64 AromaticContact CZ-CE1 3.92Å; F48-F64 HydrophobicContact CZ-CE1 3.92Å; F48-F64 HydrophobicContact CZ-CZ 4.47Å; I62-F64 HydrophobicContact CB-CE2 4.39Å; I62-F64 HydrophobicContact CG2-CD2 3.97Å; I62-F64 HydrophobicContact CG2-CE2 3.56Å; I62-F64 HydrophobicContact CG2-CZ 4.06Å; F64-V90 HydrophobicContact CD2-CG1 3.54Å; F64-V90 HydrophobicContact CE2-CG1 3.71Å; F64-R91 PolarHBondContact N-O 3.21Å; F64-L92 HydrophobicContact CB-CD2 3.86Å; F64-L92 HydrophobicContact CG-CD2 4.44Å; F64-V93 PolarHBondContact O-N 2.72Å
65	L	42.9	Very low	44.3	Very low	96 Å²	96	63.6 Å²	63.6	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.9	174	-147.4	91.9	0	0	0	109.4	G14 V93	G14-L65 PolarHBondContact O-N 3.3Å; L65-V93 HydrophobicContact CD1-CB 3.96Å; L65-V93 HydrophobicContact CD1-CG1 4.09Å; L65-V93 HydrophobicContact CD1-CG2 4.34Å
66	L	45.7	Very low	44.2	Very low	28 Å²	28	63.1 Å²	63.1	15%	0.147	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.3	-178.4	-72.2	155.1	0	0	0	109.6	L13 I70 L92 V93	L13-L66 HydrophobicContact CD1-CD2 3.86Å; L66-I70 HydrophobicContact CD1-CD1 3.68Å; L66-L92 HydrophobicContact CD1-CD2 3.44Å; L66-L92 VanDerWaalsContact CD1-CD2 3.44Å; L66-V93 PolarHBondContact N-O 3.23Å
67	T	37.9	Very low	43.8	Very low	77 Å²	77	64.6 Å²	64.6	47%	0.472	36%	0.358	S	S	.	.			trans	-89.5	-3.7	-173	51.4	0	0	0	0	113.6	N12	N12-T67 HydrophobicContact CB-CG2 4.46Å; N12-T67 PolarHBondContact O-OG1 3.11Å; N12-T67 VanDerWaalsContact O-OG1 3.07Å
68	T	39.8	Very low	43.4	Very low	42 Å²	42	65.4 Å²	65.4	26%	0.258	36%	0.362	S	S	.	.	S	Bend	trans	-135	150	-179.5	37.3	0	0	0	0	111.9	I10	I10-T68 WeakPolarHBondContact CG1-OG1 3.4Å
69	P	39.9	Very low	43.2	Very low	62 Å²	62	61.5 Å²	61.5	40%	0.403	35%	0.353	S	S	.	.			trans	-65.6	140.9	-179.9	-12.9	26.7	0	0	0	111.5	F96	P69-F96 HydrophobicContact CB-CB 3.98Å; P69-F96 HydrophobicContact CG-CB 3.94Å; P69-F96 HydrophobicContact CG-CD2 4.25Å; P69-F96 HydrophobicContact CG-CG 4.3Å
70	I	45.8	Very low	43.5	Very low	34 Å²	34	61.3 Å²	61.3	17%	0.174	34%	0.341	C	S	.	.			trans	-97	108.5	177.2	-63.6	138.8	0	0	0	108.3	L66 N72 I76	L66-I70 HydrophobicContact CD1-CD1 3.68Å; I70-N72 VanDerWaalsContact C-N 3.27Å; I70-N72 PolarHBondContact O-N 3.25Å; I70-I76 HydrophobicContact CB-CD1 4.25Å; I70-I76 HydrophobicContact CD1-CD1 3.31Å; I70-I76 HydrophobicContact CD1-CG1 4.17Å; I70-I76 HydrophobicContact CG1-CD1 4.11Å; I70-I76 HydrophobicContact CG2-CD1 3.95Å; I70-I76 HydrophobicContact CG2-CG1 4.21Å
71	E	40.1	Very low	43.6	Very low	190 Å²	190	66.4 Å²	66.4	89%	0.888	37%	0.365	S	S	*	.	S	Bend	trans	-75.3	-14.5	-178.1	-65.4	177.9	173.6	0	0	113.1
72	N	43.9	Very low	43.6	Very low	84 Å²	84	63.9 Å²	63.9	45%	0.449	36%	0.362	S	S	.	.			trans	-141.2	100.9	-179.2	-162.7	-24.2	0	0	0	112.3	I70 S74 Q75	I70-N72 VanDerWaalsContact C-N 3.27Å; I70-N72 PolarHBondContact O-N 3.25Å; N72-S74 PolarHBondContact O-N 3.17Å; N72-S74 VanDerWaalsContact O-N 3.1Å; N72-S74 VanDerWaalsContact OD1-CB 3.28Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.22Å; N72-S74 PolarHBondContact OD1-OG 3.02Å; N72-Q75 PolarHBondContact O-N 3.1Å
73	A	40.4	Very low	43.5	Very low	40 Å²	40	64.6 Å²	64.6	33%	0.331	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.4	-176.5	0	0	0	0	0	114.5	Q75 I76 C77	A73-Q75 PolarHBondContact O-N 3.46Å; A73-I76 PolarHBondContact O-N 3.38Å; A73-C77 PolarHBondContact O-N 3.49Å; A73-C77 PolarHBondContact O-SG 3.39Å
74	S	41.2	Very low	43.4	Very low	74 Å²	74	66.1 Å²	66.1	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-32.5	177.4	-41.5	0	0	0	0	112.6	N72 C77 L78	N72-S74 PolarHBondContact O-N 3.17Å; N72-S74 VanDerWaalsContact O-N 3.1Å; N72-S74 VanDerWaalsContact OD1-CB 3.28Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.22Å; N72-S74 PolarHBondContact OD1-OG 3.02Å; S74-C77 PolarHBondContact O-N 3.31Å; S74-L78 PolarHBondContact O-N 2.75Å
75	Q	43.6	Very low	43.2	Very low	70 Å²	70	74 Å²	74	33%	0.327	42%	0.415	S	S	.	.	H	α-helix	trans	-75.2	-32.9	-176	-65.2	-173.4	-18.7	0	0	112.7	E38 N72 A73	E38-Q75 PolarHBondContact OE1-NE2 3.33Å; N72-Q75 PolarHBondContact O-N 3.1Å; A73-Q75 PolarHBondContact O-N 3.46Å
76	I	48	Very low	43.1	Very low	41 Å²	41	72.9 Å²	72.9	21%	0.21	41%	0.406	C	S	.	.	H	α-helix	trans	-72.7	-37.9	173.5	-56.5	174.8	0	0	0	110.3	I70 A73 L78 A79 V80 L92	I70-I76 HydrophobicContact CB-CD1 4.25Å; I70-I76 HydrophobicContact CD1-CD1 3.31Å; I70-I76 HydrophobicContact CD1-CG1 4.17Å; I70-I76 HydrophobicContact CG1-CD1 4.11Å; I70-I76 HydrophobicContact CG2-CD1 3.95Å; I70-I76 HydrophobicContact CG2-CG1 4.21Å; A73-I76 PolarHBondContact O-N 3.38Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 2.9Å; I76-A79 PolarHBondContact O-N 3.03Å; I76-V80 HydrophobicContact CG2-CG2 3.8Å; I76-V80 WeakPolarHBondContact O-CB 3.47Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3.31Å; I76-V80 PolarHBondContact O-N 3.22Å; I76-L92 HydrophobicContact CG2-CD1 3.77Å
77	C	41.8	Very low	43.2	Very low	36 Å²	36	79.5 Å²	79.5	24%	0.243	43%	0.434	C	S	.	.	H	α-helix	trans	-59.7	-38.9	-179.9	-74.9	0	0	0	0	112.5	A73 S74 Q81 N105	A73-C77 PolarHBondContact O-N 3.49Å; A73-C77 PolarHBondContact O-SG 3.39Å; S74-C77 PolarHBondContact O-N 3.31Å; C77-Q81 VanDerWaalsContact O-CB 3.22Å; C77-Q81 WeakPolarHBondContact O-CB 3.44Å; C77-Q81 WeakPolarHBondContact O-CG 3.4Å; C77-Q81 PolarHBondContact O-N 2.54Å; C77-N105 PolarHBondContact SG-ND2 3.3Å; C77-N105 VanDerWaalsContact SG-ND2 3.38Å
78	L	44.4	Very low	43.4	Very low	114 Å²	114	76.9 Å²	76.9	60%	0.597	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-37.7	176.6	-77.4	162.8	0	0	0	112.8	S74 I76 S82	S74-L78 PolarHBondContact O-N 2.75Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 2.9Å; L78-S82 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-OG 2.89Å
79	A	43.8	Very low	43.3	Very low	51 Å²	51	77 Å²	77	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-68.5	-45.4	175.1	0	0	0	0	0	111.6	I76 S82 V83	I76-A79 PolarHBondContact O-N 3.03Å; A79-S82 WeakPolarHBondContact O-CB 3.27Å; A79-S82 PolarHBondContact O-N 2.86Å; A79-V83 WeakPolarHBondContact O-CG2 3.08Å; A79-V83 PolarHBondContact O-N 3.07Å
80	V	47.4	Very low	43.5	Very low	47 Å²	47	75.9 Å²	75.9	29%	0.285	41%	0.411	S	S	.	.	H	α-helix	trans	-68.4	-36.9	178.8	174	0	0	0	0	112	I76 S82 V83 S84	I76-V80 HydrophobicContact CG2-CG2 3.8Å; I76-V80 WeakPolarHBondContact O-CB 3.47Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3.31Å; I76-V80 PolarHBondContact O-N 3.22Å; V80-S82 PolarHBondContact O-N 2.83Å; V80-V83 PolarHBondContact O-N 2.86Å; V80-V83 VanDerWaalsContact O-N 3.12Å; V80-S84 PolarHBondContact O-N 2.67Å
81	Q	45.6	Very low	43.4	Very low	112 Å²	112	79.8 Å²	79.8	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-35.8	173.3	-85.4	177.6	-14.3	0	0	112.1	C77 S84	C77-Q81 VanDerWaalsContact O-CB 3.22Å; C77-Q81 WeakPolarHBondContact O-CB 3.44Å; C77-Q81 WeakPolarHBondContact O-CG 3.4Å; C77-Q81 PolarHBondContact O-N 2.54Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 PolarHBondContact O-OG 2.84Å
82	S	43.9	Very low	43.7	Very low	68 Å²	68	73.9 Å²	73.9	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-69.9	-32.7	176.6	-56.3	0	0	0	0	112.3	L78 A79 V80	L78-S82 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-OG 2.89Å; A79-S82 WeakPolarHBondContact O-CB 3.27Å; A79-S82 PolarHBondContact O-N 2.86Å; V80-S82 PolarHBondContact O-N 2.83Å
83	V	44.7	Very low	43.6	Very low	17 Å²	17	72.7 Å²	72.7	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-75.4	-32.3	176.7	-178.9	0	0	0	0	112.1	I52 A79 V80 K85 K86 I88 V90	I52-V83 HydrophobicContact CD1-CG2 3.61Å; I52-V83 HydrophobicContact CG1-CG2 4.2Å; A79-V83 WeakPolarHBondContact O-CG2 3.08Å; A79-V83 PolarHBondContact O-N 3.07Å; V80-V83 PolarHBondContact O-N 2.86Å; V80-V83 VanDerWaalsContact O-N 3.12Å; V83-K85 PolarHBondContact O-N 2.67Å; V83-K86 PolarHBondContact O-N 3.07Å; V83-K86 VanDerWaalsContact O-N 3.08Å; V83-I88 HydrophobicContact CG1-CB 4.05Å; V83-I88 HydrophobicContact CG1-CG2 4.24Å; V83-V90 HydrophobicContact CG1-CG2 3.7Å
84	S	42.8	Very low	43.6	Very low	81 Å²	81	71.9 Å²	71.9	57%	0.566	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.2	-177	75.8	0	0	0	0	115.8	V80 Q81	V80-S84 PolarHBondContact O-N 2.67Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 PolarHBondContact O-OG 2.84Å
85	K	43.7	Very low	43.3	Very low	189 Å²	189	78.5 Å²	78.5	82%	0.822	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.7	177.6	-69.2	-175.3	177.8	-179.7	0	114	V83	V83-K85 PolarHBondContact O-N 2.67Å
86	K	41.4	Very low	42.9	Very low	74 Å²	74	81 Å²	81	32%	0.322	41%	0.409	S	S	.	.	S	Bend	trans	-117.7	136.6	169.1	-74.5	-174.9	172.8	-178.7	0	107.6	I52 S53 L56 V83 I88	I52-K86 WeakPolarHBondContact O-CE 3.1Å; I52-K86 PolarHBondContact O-NZ 2.98Å; S53-K86 PolarHBondContact O-NZ 2.82Å; L56-K86 PolarHBondContact O-NZ 3.28Å; L56-K86 VanDerWaalsContact O-NZ 3.17Å; V83-K86 PolarHBondContact O-N 3.07Å; V83-K86 VanDerWaalsContact O-N 3.08Å; K86-I88 HydrophobicContact CB-CD1 3.59Å; K86-I88 HydrophobicContact CB-CG1 3.92Å; K86-I88 HydrophobicContact CD-CD1 4.26Å; K86-I88 PolarHBondContact O-N 2.83Å
87	K	46.2	Very low	42.5	Very low	167 Å²	167	83.5 Å²	83.5	73%	0.726	42%	0.422	S	S	*	.			trans	-67.2	74.9	-179.1	-64	177.5	-172.7	164.2	0	111.6	E58 G59	E58-K87 HydrophobicContact CG-CB 3.88Å; E58-K87 WeakPolarHBondContact OE1-CD 3.05Å; G59-K87 PolarHBondContact N-O 2.98Å
88	I	42	Very low	42.3	Very low	22 Å²	22	86.8 Å²	86.8	11%	0.113	45%	0.446	C	S	.	.			trans	-118.7	137.5	-175.8	-61	169.2	0	0	0	107.5	L56 A60 I62 V83 K86 V90	L56-I88 HydrophobicContact CB-CD1 3.77Å; L56-I88 HydrophobicContact CD1-CD1 4.34Å; A60-I88 WeakPolarHBondContact O-CG2 3.49Å; I62-I88 HydrophobicContact CD1-CG2 3.72Å; I62-I88 HydrophobicContact CG1-CG2 4.09Å; V83-I88 HydrophobicContact CG1-CB 4.05Å; V83-I88 HydrophobicContact CG1-CG2 4.24Å; K86-I88 HydrophobicContact CB-CD1 3.59Å; K86-I88 HydrophobicContact CB-CG1 3.92Å; K86-I88 HydrophobicContact CD-CD1 4.26Å; K86-I88 PolarHBondContact O-N 2.83Å; I88-V90 HydrophobicContact CG2-CG2 4.49Å
89	S	39.6	Very low	41.8	Very low	45 Å²	45	87.3 Å²	87.3	32%	0.315	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.8	177.7	-63.4	0	0	0	0	109.8	A60 F61 I62	A60-S89 PolarHBondContact O-N 3.45Å; F61-S89 VanDerWaalsContact CD1-CB 3.47Å; I62-S89 PolarHBondContact N-O 2.75Å
90	V	43.1	Very low	41.4	Very low	37 Å²	37	93.2 Å²	93.2	22%	0.224	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.7	-177.4	-176.6	0	0	0	0	109.8	I62 F64 V83 I88	I62-V90 WeakPolarHBondContact O-CA 3.01Å; F64-V90 HydrophobicContact CD2-CG1 3.54Å; F64-V90 HydrophobicContact CE2-CG1 3.71Å; V83-V90 HydrophobicContact CG1-CG2 3.7Å; I88-V90 HydrophobicContact CG2-CG2 4.49Å
91	R	44.3	Very low	40.9	Very low	116 Å²	116	96.5 Å²	96.5	44%	0.438	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.2	173.3	-176.9	-175.8	-83.1	166.5	-9.9	109.5	I62 D63 F64 V93	I62-R91 PolarHBondContact O-N 3Å; D63-R91 WeakPolarHBondContact OD1-CB 3.36Å; D63-R91 WeakPolarHBondContact OD1-CD 3.48Å; D63-R91 IonicContact OD1-NH1 3.71Å; D63-R91 IonicContact OD2-NH1 2.83Å; D63-R91 PolarHBondContact OD2-NH1 3.19Å; F64-R91 PolarHBondContact N-O 3.21Å; R91-V93 HydrophobicContact CG-CG2 4.12Å
92	L	46.3	Very low	40.3	Very low	67 Å²	67	94.9 Å²	94.9	35%	0.351	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.7	173.3	-75.5	157.4	0	0	0	109.1	F64 L66 I76	F64-L92 HydrophobicContact CB-CD2 3.86Å; F64-L92 HydrophobicContact CG-CD2 4.44Å; L66-L92 HydrophobicContact CD1-CD2 3.44Å; L66-L92 VanDerWaalsContact CD1-CD2 3.44Å; I76-L92 HydrophobicContact CG2-CD1 3.77Å
93	V	41.7	Very low	39.9	Very low	59 Å²	59	96.8 Å²	96.8	36%	0.358	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.9	177.5	-172.6	0	0	0	0	108.4	F64 L65 L66 R91	F64-V93 PolarHBondContact O-N 2.72Å; L65-V93 HydrophobicContact CD1-CB 3.96Å; L65-V93 HydrophobicContact CD1-CG1 4.09Å; L65-V93 HydrophobicContact CD1-CG2 4.34Å; L66-V93 PolarHBondContact N-O 3.23Å; R91-V93 HydrophobicContact CG-CG2 4.12Å
94	S	41.1	Very low	39.3	Very low	22 Å²	22	103.7 Å²	103.7	15%	0.154	54%	0.54	C	S	.	.			trans	-126.1	146.8	173	174.2	0	0	0	0	110.3	F96	S94-F96 PolarHBondContact OG-N 3.27Å
95	R	34	Very low	38.9	Very low	214 Å²	214	104.2 Å²	104.2	81%	0.808	54%	0.537	S	S	*	.	S	Bend	trans	-91.8	-3.7	173.3	-88.5	-174.8	173.6	178.7	-1.6	114.4
96	F	35.9	Very low	38.6	Very low	121 Å²	121	106.5 Å²	106.5	53%	0.531	54%	0.54	S	S	.	.			trans	-149.1	77.1	-171.2	-60.2	-76.2	0	0	0	113.8	P69 S94	P69-F96 HydrophobicContact CB-CB 3.98Å; P69-F96 HydrophobicContact CG-CB 3.94Å; P69-F96 HydrophobicContact CG-CD2 4.25Å; P69-F96 HydrophobicContact CG-CG 4.3Å; S94-F96 PolarHBondContact OG-N 3.27Å
97	L	38.3	Very low	38.1	Very low	94 Å²	94	113.9 Å²	113.9	49%	0.492	57%	0.566	S	S	.	*			trans	-123.6	125.2	167.4	-84.2	160.8	0	0	0	109.8
98	S	37.8	Very low	37.6	Very low	105 Å²	105	110.9 Å²	110.9	73%	0.734	56%	0.557	S	S	*	*			trans	-94.7	166.9	173.8	54.5	0	0	0	0	112	E100	S98-E100 VanDerWaalsContact C-N 3.3Å; S98-E100 PolarHBondContact O-N 3.01Å
99	S	34.2	Very low	37.5	Very low	125 Å²	125	115.2 Å²	115.2	87%	0.874	58%	0.584	S	S	*	*	S	Bend	trans	-67.2	29.7	-156.7	51.9	0	0	0	0	119.4
100	E	36.4	Very low	37.6	Very low	176 Å²	176	117.7 Å²	117.7	82%	0.822	59%	0.591	S	S	*	*			trans	-118	86.9	-178.3	-71.4	-176.5	173	0	0	112.4	S98	S98-E100 VanDerWaalsContact C-N 3.3Å; S98-E100 PolarHBondContact O-N 3.01Å
101	L	35.6	Very low	37.2	Very low	115 Å²	115	118.8 Å²	118.8	60%	0.602	60%	0.595	S	S	*	*			trans	-133.5	117.6	166.4	-94.6	148	0	0	0	109.4
102	A	34.1	Very low	36.8	Very low	79 Å²	79	116.7 Å²	116.7	65%	0.653	59%	0.588	S	S	*	*			trans	-76.5	156.4	-175.1	0	0	0	0	0	113.5	H104	A102-H104 PolarHBondContact O-N 2.79Å
103	P	34	Very low	36.1	Very low	107 Å²	107	117 Å²	117	70%	0.695	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	11.7	-160.1	-13.4	29.6	0	0	0	116.7
104	H	33.8	Very low	35.4	Very low	162 Å²	162	121 Å²	121	75%	0.75	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	3.4	-163.1	-53.7	-32.3	0	0	0	115.6	A102 R106	A102-H104 PolarHBondContact O-N 2.79Å; H104-R106 PolarHBondContact O-N 3.17Å
105	N	32.5	Very low	34.9	Very low	93 Å²	93	127.3 Å²	127.3	50%	0.497	64%	0.64	S	S	.	*			trans	-101.2	75	173.2	-82.7	-16.7	0	0	0	112	C77 R107	C77-N105 PolarHBondContact SG-ND2 3.3Å; C77-N105 VanDerWaalsContact SG-ND2 3.38Å; N105-R107 VanDerWaalsContact C-N 3.33Å; N105-R107 PolarHBondContact O-N 2.94Å
106	R	37.7	Very low	34.7	Very low	236 Å²	236	123.6 Å²	123.6	89%	0.891	63%	0.632	S	S	*	*			trans	-75.3	82.5	168.7	-71.9	179	176.8	166.5	-1.7	110.3	H104	H104-R106 PolarHBondContact O-N 3.17Å
107	R	32.3	Very low	34.7	Very low	230 Å²	230	121.6 Å²	121.6	87%	0.868	63%	0.626	S	S	*	*			trans	169.1	76.6	151.9	-96.5	173.8	-174	-174	3.8	107.9	N105	N105-R107 VanDerWaalsContact C-N 3.33Å; N105-R107 PolarHBondContact O-N 2.94Å
108	I	36.1	Very low	34.6	Very low	104 Å²	104	123.6 Å²	123.6	53%	0.533	64%	0.635	S	S	.	*			trans	-128.9	127	162.9	-60.6	-179.9	0	0	0	105.9	I111	I108-I111 HydrophobicContact CG2-CD1 4.32Å; I108-I111 HydrophobicContact CG2-CG1 4.06Å
109	V	39	Very low	34.5	Very low	112 Å²	112	124 Å²	124	68%	0.679	63%	0.627	S	S	*	*			trans	-98.9	97.4	179	-175.4	0	0	0	0	106.3
110	E	40.8	Very low	34.4	Very low	97 Å²	97	123.9 Å²	123.9	45%	0.453	62%	0.621	S	S	.	*			trans	64.8	122.6	169.6	-56	177.6	-178.6	0	0	118.5	Y112	E110-Y112 HydrophobicContact CB-CD2 4.33Å; E110-Y112 HydrophobicContact CB-CE2 3.63Å; E110-Y112 WeakPolarHBondContact OE2-CE2 3.17Å; E110-Y112 PolarHBondContact OE2-OH 3.4Å
111	I	35.8	Very low	34.2	Very low	61 Å²	61	122.4 Å²	122.4	31%	0.313	62%	0.619	S	S	.	*			trans	-114.2	128.1	171.1	-58.9	175.7	0	0	0	108.2	I108 M118	I108-I111 HydrophobicContact CG2-CD1 4.32Å; I108-I111 HydrophobicContact CG2-CG1 4.06Å; I111-M118 PolarHBondContact O-N 2.78Å
112	Y	35.3	Very low	34.1	Very low	72 Å²	72	122 Å²	122	28%	0.282	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	134.7	-179.8	-67.2	-105.7	0	0	0	110.7	E110 E116 I117	E110-Y112 HydrophobicContact CB-CD2 4.33Å; E110-Y112 HydrophobicContact CB-CE2 3.63Å; E110-Y112 WeakPolarHBondContact OE2-CE2 3.17Å; E110-Y112 PolarHBondContact OE2-OH 3.4Å; Y112-E116 CarbonylContact C-O 3.55Å; Y112-E116 VanDerWaalsContact CA-O 3.26Å; Y112-E116 WeakPolarHBondContact CA-O 3.48Å; Y112-I117 HydrophobicContact CD1-CG1 3.55Å; Y112-I117 HydrophobicContact CD2-CG1 4.47Å; Y112-I117 HydrophobicContact CE1-CB 4.45Å; Y112-I117 HydrophobicContact CE1-CD1 3.62Å; Y112-I117 HydrophobicContact CE1-CG1 3.08Å; Y112-I117 HydrophobicContact CE2-CG1 4.07Å; Y112-I117 HydrophobicContact CG-CG1 4.23Å; Y112-I117 VanDerWaalsContact OH-CD1 3.28Å; Y112-I117 WeakPolarHBondContact OH-CD1 3.38Å
113	I	30.9	Very low	33.9	Very low	74 Å²	74	124.8 Å²	124.8	38%	0.379	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	127.2	169.5	-61.8	175.4	0	0	0	107.2	N115 E116	I113-N115 PolarHBondContact O-N 2.97Å; I113-N115 VanDerWaalsContact O-N 3.13Å; I113-E116 PolarHBondContact N-O 3.45Å; I113-E116 PolarHBondContact O-N 3.18Å
114	N	27.5	Very low	33.9	Very low	141 Å²	141	125 Å²	125	75%	0.754	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.8	39	179.7	-65.2	-21	0	0	0	114.5	E116	N114-E116 VanDerWaalsContact C-N 3.31Å; N114-E116 PolarHBondContact O-N 3Å
115	N	31.7	Very low	34	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.5	16.2	-174.2	-68.6	-11.7	0	0	0	116.4	I113	I113-N115 PolarHBondContact O-N 2.97Å; I113-N115 VanDerWaalsContact O-N 3.13Å
116	E	28.6	Very low	34.3	Very low	136 Å²	136	128.4 Å²	128.4	64%	0.636	65%	0.646	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	136.8	172.8	-64	-170.7	161.6	0	0	112	Y112 I113 N114	Y112-E116 CarbonylContact C-O 3.55Å; Y112-E116 VanDerWaalsContact CA-O 3.26Å; Y112-E116 WeakPolarHBondContact CA-O 3.48Å; I113-E116 PolarHBondContact N-O 3.45Å; I113-E116 PolarHBondContact O-N 3.18Å; N114-E116 VanDerWaalsContact C-N 3.31Å; N114-E116 PolarHBondContact O-N 3Å
117	I	36.6	Very low	34.7	Very low	78 Å²	78	120.9 Å²	120.9	40%	0.4	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	125.1	177.7	-60.5	171	0	0	0	108.7	Y112	Y112-I117 HydrophobicContact CD1-CG1 3.55Å; Y112-I117 HydrophobicContact CD2-CG1 4.47Å; Y112-I117 HydrophobicContact CE1-CB 4.45Å; Y112-I117 HydrophobicContact CE1-CD1 3.62Å; Y112-I117 HydrophobicContact CE1-CG1 3.08Å; Y112-I117 HydrophobicContact CE2-CG1 4.07Å; Y112-I117 HydrophobicContact CG-CG1 4.23Å; Y112-I117 VanDerWaalsContact OH-CD1 3.28Å; Y112-I117 WeakPolarHBondContact OH-CD1 3.38Å
118	M	35.8	Very low	36	Very low	137 Å²	137	111.5 Å²	111.5	68%	0.675	60%	0.597	S	S	*	*			trans	-102.5	-14	-176.1	-91.7	-92.4	-146.9	0	0	115.6	I111	I111-M118 PolarHBondContact O-N 2.78Å
119	I	35.7	Very low	37.2	Very low	114 Å²	114	107.1 Å²	107.1	59%	0.585	58%	0.576	S	S	*	*			trans	-135.2	95.8	-177.7	-50.3	178.7	0	0	0	111.1
120	T	33.4	Very low	38.3	Very low	121 Å²	121	109 Å²	109	74%	0.742	58%	0.577	S	S	*	*			trans	-97	136.9	150.8	49.5	0	0	0	0	108.1	P122	T120-P122 VanDerWaalsContact O-CD 3.25Å; T120-P122 WeakPolarHBondContact O-CD 3.4Å; T120-P122 VanDerWaalsContact O-N 3.16Å
121	N	30.5	Very low	39.8	Very low	146 Å²	146	109.5 Å²	109.5	78%	0.781	58%	0.583	S	S	*	*			trans	-49.6	112.3	-178.2	-166.2	28.2	0	0	0	111.6	N123	N121-N123 PolarHBondContact O-N 2.63Å; N121-N123 VanDerWaalsContact O-N 3.16Å
122	P	34.2	Very low	42	Very low	106 Å²	106	109.9 Å²	109.9	69%	0.688	58%	0.581	S	S	*	*			trans	-74.9	110.2	171.1	27.8	-28.2	0	0	0	107.9	T120 P124	T120-P122 VanDerWaalsContact O-CD 3.25Å; T120-P122 WeakPolarHBondContact O-CD 3.4Å; T120-P122 VanDerWaalsContact O-N 3.16Å; P122-P124 WeakPolarHBondContact O-CD 3.33Å
123	N	30.4	Very low	44.5	Very low	138 Å²	138	107.2 Å²	107.2	74%	0.738	57%	0.57	S	S	*	*			trans	-61.5	118.5	172.7	-145.4	-1.3	0	0	0	108.1	N121 R125	N121-N123 PolarHBondContact O-N 2.63Å; N121-N123 VanDerWaalsContact O-N 3.16Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 3.25Å
124	P	34.2	Very low	47.3	Very low	112 Å²	112	107.4 Å²	107.4	73%	0.727	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	76.4	-174.6	31.9	-31.7	0	0	0	109.4	P122	P122-P124 WeakPolarHBondContact O-CD 3.33Å
125	R	35.9	Very low	50.3	Low	238 Å²	238	107 Å²	107	90%	0.898	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.5	26.9	163.8	-106.9	168.2	-163.1	-165.1	4.9	116.5	N123 T127	N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 3.25Å; R125-T127 PolarHBondContact O-N 2.81Å; R125-T127 VanDerWaalsContact O-N 3.11Å
126	A	39	Very low	53.1	Low	87 Å²	87	103 Å²	103	72%	0.719	54%	0.535	S	S	*	.			trans	-81.1	95.1	175.5	0	0	0	0	0	111.5
127	T	45.1	Very low	56.1	Low	78 Å²	78	102.4 Å²	102.4	48%	0.479	53%	0.527	S	S	.	.			trans	-55.7	136.5	150	44.2	0	0	0	0	108.5	R125 R132	R125-T127 PolarHBondContact O-N 2.81Å; R125-T127 VanDerWaalsContact O-N 3.11Å; T127-R132 PolarHBondContact O-NE 2.89Å; T127-R132 VanDerWaalsContact OG1-CG 3.3Å; T127-R132 WeakPolarHBondContact OG1-CG 3.31Å
128	S	58.9	Low	58.5	Low	34 Å²	34	101 Å²	101	24%	0.238	52%	0.523	C	S	.	.			trans	-46	148.8	-179.1	72	0	0	0	0	112.2	Q130 N131 R132 E201	S128-Q130 PolarHBondContact O-N 2.83Å; S128-Q130 VanDerWaalsContact O-N 3.07Å; S128-N131 WeakPolarHBondContact O-CA 3.38Å; S128-N131 WeakPolarHBondContact O-CB 3.47Å; S128-N131 PolarHBondContact O-N 2.9Å; S128-N131 PolarHBondContact OG-ND2 2.88Å; S128-R132 PolarHBondContact O-N 2.96Å; S128-E201 VanDerWaalsContact CA-OE1 3.25Å; S128-E201 WeakPolarHBondContact CA-OE1 3.24Å; S128-E201 WeakPolarHBondContact CB-OE1 3.38Å
129	A	61.4	Low	60.8	Low	12 Å²	12	97.3 Å²	97.3	10%	0.099	51%	0.507	C	S	.	.	H	α-helix	trans	-54.5	-31.2	178.6	0	0	0	0	0	112.1	N131 R132 Y133 F199 E201	A129-N131 PolarHBondContact O-N 3.44Å; A129-R132 PolarHBondContact O-N 2.54Å; A129-R132 VanDerWaalsContact O-N 3.13Å; A129-Y133 HydrophobicContact CB-CD2 4.25Å; A129-Y133 WeakPolarHBondContact O-CD2 3.43Å; A129-Y133 PolarHBondContact O-N 3.08Å; A129-F199 HydrophobicContact CB-CE2 3.77Å; A129-F199 HydrophobicContact CB-CZ 4.13Å; A129-E201 WeakPolarHBondContact CB-OE2 3.23Å; A129-E201 PolarHBondContact N-OE1 3.23Å; A129-E201 PolarHBondContact N-OE2 3.17Å
130	Q	62.5	Low	62.7	Low	150 Å²	150	93.4 Å²	93.4	70%	0.701	50%	0.495	S	S	*	.	H	α-helix	trans	-59.9	-29.5	174	-69.4	167	-3.1	0	0	113.5	S128	S128-Q130 PolarHBondContact O-N 2.83Å; S128-Q130 VanDerWaalsContact O-N 3.07Å
131	N	71.9	Confident	64.5	Low	108 Å²	108	96 Å²	96	58%	0.578	50%	0.496	S	S	*	.	H	α-helix	trans	-87.2	-19	177.4	-72.4	-22.8	0	0	0	113.5	S128 A129 R153	S128-N131 WeakPolarHBondContact O-CA 3.38Å; S128-N131 WeakPolarHBondContact O-CB 3.47Å; S128-N131 PolarHBondContact O-N 2.9Å; S128-N131 PolarHBondContact OG-ND2 2.88Å; A129-N131 PolarHBondContact O-N 3.44Å; N131-R153 WeakPolarHBondContact O-CD 3.4Å
132	R	81.5	Confident	66.1	Low	70 Å²	70	91.7 Å²	91.7	26%	0.264	49%	0.486	S	S	.	.	H	α-helix	trans	-98.3	-26.1	179.3	-65.9	-167.8	-70.1	147.7	2.5	113.3	T127 S128 A129 R153	T127-R132 PolarHBondContact O-NE 2.89Å; T127-R132 VanDerWaalsContact OG1-CG 3.3Å; T127-R132 WeakPolarHBondContact OG1-CG 3.31Å; S128-R132 PolarHBondContact O-N 2.96Å; A129-R132 PolarHBondContact O-N 2.54Å; A129-R132 VanDerWaalsContact O-N 3.13Å; R132-R153 WeakPolarHBondContact O-CB 3.47Å; R132-R153 PolarHBondContact O-N 2.83Å
133	Y	88	Confident	67.1	Low	16 Å²	16	91.3 Å²	91.3	6%	0.063	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.7	-172	-58.6	-79.4	0	0	0	112.1	A129 R151 R152 V159 I161 F199 E208	A129-Y133 HydrophobicContact CB-CD2 4.25Å; A129-Y133 WeakPolarHBondContact O-CD2 3.43Å; A129-Y133 PolarHBondContact O-N 3.08Å; Y133-R151 WeakPolarHBondContact CA-O 3.21Å; Y133-R152 HydrophobicContact CD1-CG 3.96Å; Y133-R152 HydrophobicContact CE1-CG 3.53Å; Y133-V159 HydrophobicContact CD1-CG2 4.28Å; Y133-V159 HydrophobicContact CE1-CG2 4.11Å; Y133-I161 HydrophobicContact CD1-CD1 3.86Å; Y133-I161 HydrophobicContact CD2-CD1 4.06Å; Y133-I161 HydrophobicContact CE1-CD1 3.96Å; Y133-I161 HydrophobicContact CE2-CD1 4.19Å; Y133-I161 HydrophobicContact CG-CD1 3.91Å; Y133-F199 HydrophobicContact CD2-CZ 4.41Å; Y133-F199 HydrophobicContact CE2-CE1 4.01Å; Y133-F199 AromaticContact CE2-CZ 3.76Å; Y133-F199 HydrophobicContact CE2-CZ 3.76Å; Y133-E208 WeakPolarHBondContact CE1-OE1 3.39Å; Y133-E208 VanDerWaalsContact CZ-OE1 3.32Å; Y133-E208 PolarHBondContact OH-OE1 3.02Å; Y133-E208 PolarHBondContact OH-OE2 3.44Å
134	E	89.6	Confident	68.4	Low	77 Å²	77	88.2 Å²	88.2	36%	0.36	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.1	169.1	-178.4	-169.9	-173.7	0	0	108.8	I136 Y150 R151	E134-I136 PolarHBondContact O-N 2.82Å; E134-Y150 CarbonylContact O-C 3.55Å; E134-Y150 VanDerWaalsContact O-CA 3.31Å; E134-Y150 WeakPolarHBondContact O-CA 3.36Å; E134-R151 HydrophobicContact CB-CB 4.28Å; E134-R151 PolarHBondContact N-O 2.87Å; E134-R151 PolarHBondContact O-N 2.92Å; E134-R151 IonicContact OE1-NH1 3.77Å; E134-R151 IonicContact OE2-CZ 3.78Å; E134-R151 IonicContact OE2-NH1 2.83Å; E134-R151 PolarHBondContact OE2-NH1 3.13Å
135	R	90.6	Very high	70.2	Confident	134 Å²	134	83.9 Å²	83.9	51%	0.506	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.7	-179.9	-166.8	175	-177.5	-81.9	0.6	110.5	T138 V148 Y150	R135-T138 PolarHBondContact NH2-OG1 2.81Å; R135-V148 HydrophobicContact CG-CG1 3.75Å; R135-Y150 VanDerWaalsContact CA-CE1 3.46Å; R135-Y150 HydrophobicContact CB-CD1 3.9Å; R135-Y150 HydrophobicContact CB-CE1 3.39Å; R135-Y150 HydrophobicContact CG-CD1 4.31Å; R135-Y150 HydrophobicContact CG-CE1 3.65Å
136	I	91.8	Very high	72.4	Confident	70 Å²	70	74.1 Å²	74.1	36%	0.359	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-66	178.3	-53.5	-175.1	0	0	0	110.5	E134 L149 R151 L158	E134-I136 PolarHBondContact O-N 2.82Å; I136-L149 HydrophobicContact CB-CD2 4.38Å; I136-L149 HydrophobicContact CB-CG 4.31Å; I136-L149 WeakPolarHBondContact CB-O 3.42Å; I136-L149 HydrophobicContact CD1-CD2 4.24Å; I136-L149 HydrophobicContact CD1-CG 4.16Å; I136-L149 HydrophobicContact CG2-CD2 4.34Å; I136-L149 PolarHBondContact N-O 2.96Å; I136-R151 HydrophobicContact CD1-CB 4.14Å; I136-L158 HydrophobicContact CD1-CD2 3.44Å; I136-L158 VanDerWaalsContact CD1-CD2 3.44Å
137	R	90.8	Very high	74.7	Confident	124 Å²	124	71.2 Å²	71.2	47%	0.468	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	152.3	-175.8	65.2	-176	-178.3	91.3	1.2	112.1	V139 L149	R137-V139 HydrophobicContact CG-CG1 4.5Å; R137-L149 HydrophobicContact CG-CB 4.29Å; R137-L149 HydrophobicContact CG-CD2 4.35Å; R137-L149 PolarHBondContact N-O 2.98Å; R137-L149 PolarHBondContact O-N 2.81Å
138	T	88.2	Confident	76.9	Confident	50 Å²	50	67.5 Å²	67.5	31%	0.307	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131	168.6	-55.9	0	0	0	0	109.7	R135 K141 V148	R135-T138 PolarHBondContact NH2-OG1 2.81Å; T138-K141 HydrophobicContact CG2-CG 4.11Å; T138-V148 HydrophobicContact CG2-CG2 4.4Å
139	V	82.8	Confident	78.5	Confident	59 Å²	59	66.2 Å²	66.2	36%	0.358	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-24.9	179.4	-63.1	0	0	0	0	112.8	R137 A147 L149 I160	R137-V139 HydrophobicContact CG-CG1 4.5Å; V139-A147 HydrophobicContact CG2-CB 3.72Å; V139-A147 VanDerWaalsContact CG2-O 3.23Å; V139-A147 WeakPolarHBondContact CG2-O 3.49Å; V139-A147 PolarHBondContact N-O 3.31Å; V139-L149 HydrophobicContact CG1-CB 3.79Å; V139-I160 HydrophobicContact CG1-CD1 4.17Å; V139-I160 HydrophobicContact CG2-CD1 3.75Å
140	G	75.1	Confident	80	Confident	31 Å²	31	66.7 Å²	66.7	32%	0.32	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	155.2	176.1	0	0	0	0	0	112.3	A147	G140-A147 PolarHBondContact N-O 2.83Å; G140-A147 PolarHBondContact O-N 2.84Å
141	K	72.7	Confident	81.4	Confident	176 Å²	176	64.2 Å²	64.2	77%	0.765	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	171.6	-67.5	-172.2	175.3	-175.9	0	108.4	T138	T138-K141 HydrophobicContact CG2-CG 4.11Å
142	G	63.8	Low	82.3	Confident	56 Å²	56	61.5 Å²	61.5	58%	0.577	33%	0.325	S	S	*	.			trans	-112.2	-177	178.1	0	0	0	0	0	112.2	F144 G145	G142-F144 VanDerWaalsContact C-N 3.27Å; G142-F144 PolarHBondContact O-N 2.8Å; G142-G145 PolarHBondContact N-O 3.05Å
143	A	55.5	Low	82.6	Confident	97 Å²	97	65 Å²	65	80%	0.802	34%	0.338	S	S	*	.	S	Bend	trans	-65.4	-28	-179.4	0	0	0	0	0	113.8
144	F	57.4	Low	82.5	Confident	73 Å²	73	73.3 Å²	73.3	32%	0.32	38%	0.377	S	S	.	.	S	Bend	trans	-114.9	1.2	-173.9	-55.9	-71.9	0	0	0	113.7	G142 I164 L169	G142-F144 VanDerWaalsContact C-N 3.27Å; G142-F144 PolarHBondContact O-N 2.8Å; F144-I164 WeakPolarHBondContact O-CG2 3.46Å; F144-L169 HydrophobicContact CD1-CD2 3.94Å
145	G	72.2	Confident	82.4	Confident	22 Å²	22	73.9 Å²	73.9	23%	0.227	38%	0.383	C	S	.	.			trans	168.5	-177.8	-173.7	0	0	0	0	0	115.7	G142 E163	G142-G145 PolarHBondContact N-O 3.05Å; G145-E163 CarbonylContact C-O 3.6Å; G145-E163 WeakPolarHBondContact CA-O 3.43Å
146	S	81.8	Confident	82.2	Confident	32 Å²	32	71.4 Å²	71.4	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.3	178.5	-63.8	0	0	0	0	111.2	E163	S146-E163 PolarHBondContact N-O 2.93Å; S146-E163 PolarHBondContact O-N 3.07Å
147	A	87.8	Confident	82.1	Confident	27 Å²	27	69.9 Å²	69.9	22%	0.223	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123	168.8	0	0	0	0	0	108.8	V139 G140 I160	V139-A147 HydrophobicContact CG2-CB 3.72Å; V139-A147 VanDerWaalsContact CG2-O 3.23Å; V139-A147 WeakPolarHBondContact CG2-O 3.49Å; V139-A147 PolarHBondContact N-O 3.31Å; G140-A147 PolarHBondContact N-O 2.83Å; G140-A147 PolarHBondContact O-N 2.84Å; A147-I160 HydrophobicContact CB-CG2 4.16Å
148	V	90.1	Very high	82.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.5	-174	-176.1	0	0	0	0	109.6	R135 T138 Y150 I161 E163	R135-V148 HydrophobicContact CG-CG1 3.75Å; T138-V148 HydrophobicContact CG2-CG2 4.4Å; V148-Y150 HydrophobicContact CB-CD2 4.1Å; V148-Y150 HydrophobicContact CB-CE2 3.54Å; V148-Y150 HydrophobicContact CG1-CD2 3.94Å; V148-Y150 HydrophobicContact CG1-CE2 3.43Å; V148-Y150 VanDerWaalsContact CG1-CE2 3.43Å; V148-Y150 WeakPolarHBondContact O-CD2 3.42Å; V148-I161 PolarHBondContact N-O 2.82Å; V148-I161 PolarHBondContact O-N 3.48Å; V148-E163 HydrophobicContact CG2-CG 4.18Å
149	L	92.5	Very high	82.3	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.1	174.5	179.5	67.5	0	0	0	109.6	I136 R137 V139 L158 I160 Y211	I136-L149 HydrophobicContact CB-CD2 4.38Å; I136-L149 HydrophobicContact CB-CG 4.31Å; I136-L149 WeakPolarHBondContact CB-O 3.42Å; I136-L149 HydrophobicContact CD1-CD2 4.24Å; I136-L149 HydrophobicContact CD1-CG 4.16Å; I136-L149 HydrophobicContact CG2-CD2 4.34Å; I136-L149 PolarHBondContact N-O 2.96Å; R137-L149 HydrophobicContact CG-CB 4.29Å; R137-L149 HydrophobicContact CG-CD2 4.35Å; R137-L149 PolarHBondContact N-O 2.98Å; R137-L149 PolarHBondContact O-N 2.81Å; V139-L149 HydrophobicContact CG1-CB 3.79Å; L149-L158 HydrophobicContact CD1-CB 4.2Å; L149-I160 HydrophobicContact CB-CD1 4Å; L149-I160 HydrophobicContact CD1-CD1 3.82Å; L149-Y211 HydrophobicContact CD1-CD1 3.76Å; L149-Y211 HydrophobicContact CD1-CD2 3.75Å; L149-Y211 HydrophobicContact CD1-CE1 3.98Å; L149-Y211 HydrophobicContact CD1-CE2 4Å; L149-Y211 HydrophobicContact CD1-CG 3.62Å; L149-Y211 HydrophobicContact CD2-CE1 4.37Å
150	Y	93.2	Very high	82.8	Confident	23 Å²	23	63.4 Å²	63.4	9%	0.09	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.8	177.5	-75.8	-90.4	0	0	0	110.9	E134 R135 V148 L158 V159 I161 E163	E134-Y150 CarbonylContact O-C 3.55Å; E134-Y150 VanDerWaalsContact O-CA 3.31Å; E134-Y150 WeakPolarHBondContact O-CA 3.36Å; R135-Y150 VanDerWaalsContact CA-CE1 3.46Å; R135-Y150 HydrophobicContact CB-CD1 3.9Å; R135-Y150 HydrophobicContact CB-CE1 3.39Å; R135-Y150 HydrophobicContact CG-CD1 4.31Å; R135-Y150 HydrophobicContact CG-CE1 3.65Å; V148-Y150 HydrophobicContact CB-CD2 4.1Å; V148-Y150 HydrophobicContact CB-CE2 3.54Å; V148-Y150 HydrophobicContact CG1-CD2 3.94Å; V148-Y150 HydrophobicContact CG1-CE2 3.43Å; V148-Y150 VanDerWaalsContact CG1-CE2 3.43Å; V148-Y150 WeakPolarHBondContact O-CD2 3.42Å; Y150-L158 WeakPolarHBondContact O-CA 3.28Å; Y150-V159 PolarHBondContact N-O 3.04Å; Y150-V159 PolarHBondContact O-N 2.89Å; Y150-I161 HydrophobicContact CD2-CB 3.67Å; Y150-I161 HydrophobicContact CD2-CD1 3.63Å; Y150-I161 HydrophobicContact CD2-CG1 3.67Å; Y150-I161 HydrophobicContact CE2-CB 3.82Å; Y150-I161 HydrophobicContact CE2-CD1 4.08Å; Y150-I161 HydrophobicContact CE2-CG1 4.23Å; Y150-I161 HydrophobicContact CG-CD1 3.9Å; Y150-I161 HydrophobicContact CG-CG1 4.29Å; Y150-E163 WeakPolarHBondContact CE2-OE1 3.48Å; Y150-E163 PolarHBondContact OH-OE1 3.03Å
151	R	92.4	Very high	83.5	Confident	97 Å²	97	61.9 Å²	61.9	37%	0.366	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.4	164	-177.2	-176.8	-64.7	141.8	-6.3	109	Y133 E134 I136 R153 S157 L158	Y133-R151 WeakPolarHBondContact CA-O 3.21Å; E134-R151 HydrophobicContact CB-CB 4.28Å; E134-R151 PolarHBondContact N-O 2.87Å; E134-R151 PolarHBondContact O-N 2.92Å; E134-R151 IonicContact OE1-NH1 3.77Å; E134-R151 IonicContact OE2-CZ 3.78Å; E134-R151 IonicContact OE2-NH1 2.83Å; E134-R151 PolarHBondContact OE2-NH1 3.13Å; I136-R151 HydrophobicContact CD1-CB 4.14Å; R151-R153 PolarHBondContact O-N 2.88Å; R151-S157 CarbonylContact C-O 3.57Å; R151-S157 WeakPolarHBondContact CA-O 3.37Å; R151-L158 HydrophobicContact CB-CD2 4.2Å
152	R	90	Very high	84.2	Confident	51 Å²	51	55.3 Å²	55.3	19%	0.192	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.7	170.4	-82.9	-173.6	-174.9	164.1	-2.9	109.3	Y133 E154 D155 S156 S157 V159 Y196 E208	Y133-R152 HydrophobicContact CD1-CG 3.96Å; Y133-R152 HydrophobicContact CE1-CG 3.53Å; R152-E154 VanDerWaalsContact C-N 3.33Å; R152-D155 WeakPolarHBondContact CB-OD1 3.38Å; R152-S156 WeakPolarHBondContact O-CA 3.22Å; R152-S156 PolarHBondContact O-N 2.93Å; R152-S157 WeakPolarHBondContact CD-OG 3.46Å; R152-S157 PolarHBondContact N-O 3.04Å; R152-V159 HydrophobicContact CG-CG1 4.26Å; R152-V159 HydrophobicContact CG-CG2 4.17Å; R152-Y196 VanDerWaalsContact NH2-CD2 3.33Å; R152-E208 IonicContact CZ-OE1 3.67Å; R152-E208 IonicContact CZ-OE2 3.54Å; R152-E208 IonicContact NE-OE1 2.59Å; R152-E208 PolarHBondContact NE-OE1 3.17Å; R152-E208 IonicContact NE-OE2 2.67Å; R152-E208 IonicContact NH2-OE1 3.37Å; R152-E208 PolarHBondContact NH2-OE1 2.75Å; R152-E208 IonicContact NH2-OE2 2.65Å; R152-E208 PolarHBondContact NH2-OE2 2.95Å
153	R	88.5	Confident	85.3	Confident	143 Å²	143	54.5 Å²	54.5	54%	0.54	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22	-179.8	-70.2	177.1	178	-82.6	3.3	113.2	N131 R132 R151	N131-R153 WeakPolarHBondContact O-CD 3.4Å; R132-R153 WeakPolarHBondContact O-CB 3.47Å; R132-R153 PolarHBondContact O-N 2.83Å; R151-R153 PolarHBondContact O-N 2.88Å
154	E	85.9	Confident	86.7	Confident	191 Å²	191	50.1 Å²	50.1	89%	0.893	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-45.5	-179.2	-174.5	173.9	-174.3	0	0	112.6	R152	R152-E154 VanDerWaalsContact C-N 3.33Å
155	D	86.6	Confident	87.8	Confident	89 Å²	89	49.1 Å²	49.1	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	1	-173	64.6	3.7	0	0	0	113.8	R152 S157	R152-D155 WeakPolarHBondContact CB-OD1 3.38Å; D155-S157 PolarHBondContact O-N 3Å; D155-S157 VanDerWaalsContact OD1-CB 3.27Å; D155-S157 WeakPolarHBondContact OD1-CB 3.08Å; D155-S157 PolarHBondContact OD1-N 3.41Å; D155-S157 PolarHBondContact OD1-OG 3.29Å; D155-S157 PolarHBondContact OD2-OG 3.18Å; D155-S157 VanDerWaalsContact OD2-OG 3.07Å
156	S	88	Confident	88	Confident	83 Å²	83	48.2 Å²	48.2	58%	0.58	24%	0.24	S	C	*	.			trans	60.3	14.2	-174.3	-58.4	0	0	0	0	115.3	R152	R152-S156 WeakPolarHBondContact O-CA 3.22Å; R152-S156 PolarHBondContact O-N 2.93Å
157	S	88.1	Confident	87.7	Confident	37 Å²	37	54.8 Å²	54.8	26%	0.259	26%	0.261	S	S	.	.			trans	-71.2	151.2	177.6	66.7	0	0	0	0	111.9	R151 R152 D155	R151-S157 CarbonylContact C-O 3.57Å; R151-S157 WeakPolarHBondContact CA-O 3.37Å; R152-S157 WeakPolarHBondContact CD-OG 3.46Å; R152-S157 PolarHBondContact N-O 3.04Å; D155-S157 PolarHBondContact O-N 3Å; D155-S157 VanDerWaalsContact OD1-CB 3.27Å; D155-S157 WeakPolarHBondContact OD1-CB 3.08Å; D155-S157 PolarHBondContact OD1-N 3.41Å; D155-S157 PolarHBondContact OD1-OG 3.29Å; D155-S157 PolarHBondContact OD2-OG 3.18Å; D155-S157 VanDerWaalsContact OD2-OG 3.07Å
158	L	92.1	Very high	86.9	Confident	74 Å²	74	59.3 Å²	59.3	39%	0.387	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.6	177.1	-67.6	180	0	0	0	109.9	I136 L149 Y150 R151 Y211	I136-L158 HydrophobicContact CD1-CD2 3.44Å; I136-L158 VanDerWaalsContact CD1-CD2 3.44Å; L149-L158 HydrophobicContact CD1-CB 4.2Å; Y150-L158 WeakPolarHBondContact O-CA 3.28Å; R151-L158 HydrophobicContact CB-CD2 4.2Å; L158-Y211 HydrophobicContact CB-CD1 3.77Å; L158-Y211 HydrophobicContact CB-CG 4.47Å; L158-Y211 HydrophobicContact CD1-CD1 4.07Å; L158-Y211 HydrophobicContact CD1-CE1 4.03Å
159	V	92.1	Very high	85.9	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.9	-178.8	-63	0	0	0	0	110.8	Y133 Y150 R152 I161 Y196 E208	Y133-V159 HydrophobicContact CD1-CG2 4.28Å; Y133-V159 HydrophobicContact CE1-CG2 4.11Å; Y150-V159 PolarHBondContact N-O 3.04Å; Y150-V159 PolarHBondContact O-N 2.89Å; R152-V159 HydrophobicContact CG-CG1 4.26Å; R152-V159 HydrophobicContact CG-CG2 4.17Å; V159-I161 HydrophobicContact CG2-CG1 4.36Å; V159-Y196 HydrophobicContact CG1-CD2 4.12Å; V159-Y196 HydrophobicContact CG1-CE2 4.04Å; V159-E208 HydrophobicContact CB-CG 4.18Å; V159-E208 HydrophobicContact CG1-CG 4.49Å; V159-E208 HydrophobicContact CG2-CG 4.24Å
160	I	92.2	Very high	84.7	Confident	22 Å²	22	64.1 Å²	64.1	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.4	168.1	-64.7	-55.5	0	0	0	108.4	V139 A147 L149 E208 M209 Y211	V139-I160 HydrophobicContact CG1-CD1 4.17Å; V139-I160 HydrophobicContact CG2-CD1 3.75Å; A147-I160 HydrophobicContact CB-CG2 4.16Å; L149-I160 HydrophobicContact CB-CD1 4Å; L149-I160 HydrophobicContact CD1-CD1 3.82Å; I160-E208 CarbonylContact O-C 3.54Å; I160-M209 PolarHBondContact N-O 2.85Å; I160-M209 PolarHBondContact O-N 3.2Å; I160-Y211 HydrophobicContact CD1-CD2 3.57Å; I160-Y211 HydrophobicContact CD1-CE2 4.2Å; I160-Y211 HydrophobicContact CD1-CG 4.34Å; I160-Y211 HydrophobicContact CG1-CD2 3.76Å; I160-Y211 HydrophobicContact CG1-CG 4.36Å
161	I	90.9	Very high	83.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.4	167.4	-55.8	-178.7	0	0	0	108.3	Y133 V148 Y150 V159 E163 M206 I207 E208	Y133-I161 HydrophobicContact CD1-CD1 3.86Å; Y133-I161 HydrophobicContact CD2-CD1 4.06Å; Y133-I161 HydrophobicContact CE1-CD1 3.96Å; Y133-I161 HydrophobicContact CE2-CD1 4.19Å; Y133-I161 HydrophobicContact CG-CD1 3.91Å; V148-I161 PolarHBondContact N-O 2.82Å; V148-I161 PolarHBondContact O-N 3.48Å; Y150-I161 HydrophobicContact CD2-CB 3.67Å; Y150-I161 HydrophobicContact CD2-CD1 3.63Å; Y150-I161 HydrophobicContact CD2-CG1 3.67Å; Y150-I161 HydrophobicContact CE2-CB 3.82Å; Y150-I161 HydrophobicContact CE2-CD1 4.08Å; Y150-I161 HydrophobicContact CE2-CG1 4.23Å; Y150-I161 HydrophobicContact CG-CD1 3.9Å; Y150-I161 HydrophobicContact CG-CG1 4.29Å; V159-I161 HydrophobicContact CG2-CG1 4.36Å; I161-E163 HydrophobicContact CG2-CG 4.42Å; I161-M206 HydrophobicContact CG2-CB 3.76Å; I161-M206 HydrophobicContact CG2-CE 3.63Å; I161-M206 HydrophobicContact CG2-CG 4.32Å; I161-M206 HydrophobicContact CG2-SD 3.76Å; I161-I207 CarbonylContact C-O 3.54Å; I161-I207 VanDerWaalsContact CA-O 3.31Å; I161-I207 WeakPolarHBondContact CA-O 3.26Å; I161-E208 HydrophobicContact CG1-CG 4.38Å
162	K	87.8	Confident	82.3	Confident	37 Å²	37	65.3 Å²	65.3	16%	0.161	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.4	171.7	-170.3	176.1	179.2	179	0	107.6	I164 E180 I207 D274	K162-I164 HydrophobicContact CG-CG1 4.36Å; K162-E180 IonicContact NZ-OE1 2.93Å; K162-E180 PolarHBondContact NZ-OE1 3.41Å; K162-I207 HydrophobicContact CB-CB 4.29Å; K162-I207 PolarHBondContact N-O 3.09Å; K162-I207 PolarHBondContact O-N 3.49Å; K162-D274 IonicContact NZ-OD1 3.57Å
163	E	87.4	Confident	81.2	Confident	40 Å²	40	65.8 Å²	65.8	19%	0.187	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.7	-177.6	-41.5	-175.6	157.6	0	0	108.7	G145 S146 V148 Y150 I161 V204 M206	G145-E163 CarbonylContact C-O 3.6Å; G145-E163 WeakPolarHBondContact CA-O 3.43Å; S146-E163 PolarHBondContact N-O 2.93Å; S146-E163 PolarHBondContact O-N 3.07Å; V148-E163 HydrophobicContact CG2-CG 4.18Å; Y150-E163 WeakPolarHBondContact CE2-OE1 3.48Å; Y150-E163 PolarHBondContact OH-OE1 3.03Å; I161-E163 HydrophobicContact CG2-CG 4.42Å; E163-V204 HydrophobicContact CB-CG1 4Å; E163-M206 HydrophobicContact CB-SD 3.77Å; E163-M206 HydrophobicContact CG-CE 3.99Å; E163-M206 HydrophobicContact CG-SD 3.51Å; E163-M206 VanDerWaalsContact CG-SD 3.51Å
164	I	82.9	Confident	80.4	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.2	-178.7	-62.2	172.5	0	0	0	107.9	F144 K162 M166 L169 V204 L205 I207	F144-I164 WeakPolarHBondContact O-CG2 3.46Å; K162-I164 HydrophobicContact CG-CG1 4.36Å; I164-M166 HydrophobicContact CG2-SD 4.11Å; I164-M166 PolarHBondContact O-N 2.94Å; I164-L169 HydrophobicContact CG2-CD1 3.73Å; I164-V204 CarbonylContact O-C 3.51Å; I164-V204 WeakPolarHBondContact O-CA 3.43Å; I164-L205 HydrophobicContact CB-CB 4.28Å; I164-L205 PolarHBondContact N-O 2.9Å; I164-L205 PolarHBondContact O-N 2.96Å; I164-I207 HydrophobicContact CD1-CD1 3.97Å
165	N	80.8	Confident	79.7	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	109.6	176.7	-174.7	-1.7	0	0	0	109.6	Y167 D168	N165-Y167 PolarHBondContact O-N 2.81Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.38Å; N165-Y167 PolarHBondContact OD1-N 2.91Å; N165-Y167 VanDerWaalsContact OD1-N 3.11Å; N165-D168 HydrophobicContact CB-CB 4.41Å; N165-D168 WeakPolarHBondContact CB-OD2 3.2Å; N165-D168 PolarHBondContact ND2-OD1 2.92Å; N165-D168 PolarHBondContact ND2-OD2 2.86Å; N165-D168 PolarHBondContact O-N 3.39Å
166	M	76.8	Confident	78.8	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.6	-175	-59.1	-71.2	-87.6	0	0	112.7	I164 L169 R174 A177 L178 G203 L205	I164-M166 HydrophobicContact CG2-SD 4.11Å; I164-M166 PolarHBondContact O-N 2.94Å; M166-L169 HydrophobicContact SD-CD1 4.09Å; M166-R174 HydrophobicContact CE-CG 3.46Å; M166-R174 VanDerWaalsContact CE-CG 3.46Å; M166-R174 PolarHBondContact O-NH1 2.79Å; M166-R174 HydrophobicContact SD-CG 4.39Å; M166-A177 HydrophobicContact SD-CB 4.41Å; M166-L178 HydrophobicContact CE-CD2 4.11Å; M166-L178 HydrophobicContact CE-CG 4.15Å; M166-G203 WeakPolarHBondContact CB-O 3.47Å; M166-G203 PolarHBondContact N-O 3Å; M166-L205 HydrophobicContact CE-CB 4.34Å; M166-L205 HydrophobicContact CE-CD2 4.21Å; M166-L205 HydrophobicContact CG-CB 3.7Å; M166-L205 HydrophobicContact SD-CB 3.65Å; M166-L205 HydrophobicContact SD-CD2 4Å; M166-L205 HydrophobicContact SD-CG 4.48Å
167	Y	75.4	Confident	78	Confident	170 Å²	170	55.2 Å²	55.2	67%	0.667	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.1	174.5	-65.3	-59	0	0	0	113.2	N165 L169 E202	N165-Y167 PolarHBondContact O-N 2.81Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.38Å; N165-Y167 PolarHBondContact OD1-N 2.91Å; N165-Y167 VanDerWaalsContact OD1-N 3.11Å; Y167-L169 VanDerWaalsContact C-N 3.25Å; Y167-L169 PolarHBondContact O-N 2.87Å; Y167-E202 WeakPolarHBondContact CE2-O 3.35Å
168	D	71.8	Confident	77.4	Confident	123 Å²	123	57.1 Å²	57.1	66%	0.658	28%	0.282	S	S	*	.	S	Bend	trans	-82.6	-6.8	179.6	-63.6	-20.7	0	0	0	112.3	N165	N165-D168 HydrophobicContact CB-CB 4.41Å; N165-D168 WeakPolarHBondContact CB-OD2 3.2Å; N165-D168 PolarHBondContact ND2-OD1 2.92Å; N165-D168 PolarHBondContact ND2-OD2 2.86Å; N165-D168 PolarHBondContact O-N 3.39Å
169	L	68	Low	76.4	Confident	27 Å²	27	58.2 Å²	58.2	14%	0.141	29%	0.288	C	S	.	.	S	Bend	trans	-101.2	138.4	-174	-58.7	-177.4	0	0	0	111.9	F144 I164 M166 Y167 Q173 R174 A177	F144-L169 HydrophobicContact CD1-CD2 3.94Å; I164-L169 HydrophobicContact CG2-CD1 3.73Å; M166-L169 HydrophobicContact SD-CD1 4.09Å; Y167-L169 VanDerWaalsContact C-N 3.25Å; Y167-L169 PolarHBondContact O-N 2.87Å; L169-Q173 HydrophobicContact CB-CB 3.91Å; L169-Q173 HydrophobicContact CD2-CB 4.07Å; L169-Q173 HydrophobicContact CG-CB 4.39Å; L169-R174 HydrophobicContact CB-CB 4.45Å; L169-A177 HydrophobicContact CD1-CB 4.22Å
170	D	68.7	Low	75.6	Confident	79 Å²	79	58.5 Å²	58.5	42%	0.422	29%	0.289	S	S	.	.			trans	-71.6	169.8	167.3	72	45.6	0	0	0	112	S172 Q173 R174	D170-S172 PolarHBondContact O-N 2.86Å; D170-S172 VanDerWaalsContact O-N 3.12Å; D170-S172 VanDerWaalsContact OD1-CA 3.28Å; D170-S172 WeakPolarHBondContact OD1-CA 3.45Å; D170-S172 VanDerWaalsContact OD1-CB 3.27Å; D170-S172 WeakPolarHBondContact OD1-CB 3.29Å; D170-S172 PolarHBondContact OD1-N 2.93Å; D170-S172 PolarHBondContact OD1-OG 2.82Å; D170-Q173 VanDerWaalsContact N-OE1 3.14Å; D170-Q173 PolarHBondContact O-N 3.11Å; D170-Q173 VanDerWaalsContact O-N 3.17Å; D170-Q173 WeakPolarHBondContact OD1-CG 3.26Å; D170-Q173 PolarHBondContact OD1-N 2.78Å; D170-R174 WeakPolarHBondContact O-CB 3.44Å; D170-R174 PolarHBondContact O-N 2.8Å
171	S	68.1	Low	75	Confident	93 Å²	93	58.3 Å²	58.3	65%	0.65	29%	0.289	S	S	*	.	H	α-helix	trans	-58.6	-28.2	-177.9	-34.7	0	0	0	0	113.6	R175	S171-R175 WeakPolarHBondContact O-CG 3.06Å; S171-R175 PolarHBondContact O-N 3.1Å; S171-R175 PolarHBondContact O-NE 3.19Å
172	S	66.7	Low	74.3	Confident	52 Å²	52	60.7 Å²	60.7	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-77.9	-45.3	177.6	79.8	0	0	0	0	111.4	D170 R175 L176	D170-S172 PolarHBondContact O-N 2.86Å; D170-S172 VanDerWaalsContact O-N 3.12Å; D170-S172 VanDerWaalsContact OD1-CA 3.28Å; D170-S172 WeakPolarHBondContact OD1-CA 3.45Å; D170-S172 VanDerWaalsContact OD1-CB 3.27Å; D170-S172 WeakPolarHBondContact OD1-CB 3.29Å; D170-S172 PolarHBondContact OD1-N 2.93Å; D170-S172 PolarHBondContact OD1-OG 2.82Å; S172-R175 PolarHBondContact O-N 2.88Å; S172-L176 WeakPolarHBondContact O-CG 3.38Å; S172-L176 PolarHBondContact O-N 3.2Å; S172-L176 VanDerWaalsContact O-N 3.11Å
173	Q	66.9	Low	73.9	Confident	61 Å²	61	61.1 Å²	61.1	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-39.3	177.7	-68.1	173.2	-18.3	0	0	111.6	L169 D170 R175 L176 A177	L169-Q173 HydrophobicContact CB-CB 3.91Å; L169-Q173 HydrophobicContact CD2-CB 4.07Å; L169-Q173 HydrophobicContact CG-CB 4.39Å; D170-Q173 VanDerWaalsContact N-OE1 3.14Å; D170-Q173 PolarHBondContact O-N 3.11Å; D170-Q173 VanDerWaalsContact O-N 3.17Å; D170-Q173 WeakPolarHBondContact OD1-CG 3.26Å; D170-Q173 PolarHBondContact OD1-N 2.78Å; Q173-R175 VanDerWaalsContact C-N 3.34Å; Q173-R175 PolarHBondContact O-N 3.25Å; Q173-L176 WeakPolarHBondContact O-CB 3.04Å; Q173-L176 PolarHBondContact O-N 2.82Å; Q173-L176 VanDerWaalsContact O-N 3.14Å; Q173-A177 PolarHBondContact O-N 3.36Å
174	R	71.6	Confident	73.6	Confident	77 Å²	77	59.5 Å²	59.5	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-42.8	174.6	-165.4	178.2	178.9	115.4	7.4	111.9	M166 L169 D170 L176 A177 L178 E200	M166-R174 HydrophobicContact CE-CG 3.46Å; M166-R174 VanDerWaalsContact CE-CG 3.46Å; M166-R174 PolarHBondContact O-NH1 2.79Å; M166-R174 HydrophobicContact SD-CG 4.39Å; L169-R174 HydrophobicContact CB-CB 4.45Å; D170-R174 WeakPolarHBondContact O-CB 3.44Å; D170-R174 PolarHBondContact O-N 2.8Å; R174-L176 VanDerWaalsContact C-N 3.34Å; R174-A177 PolarHBondContact O-N 2.83Å; R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 3.49Å; R174-L178 VanDerWaalsContact O-N 3.1Å; R174-E200 IonicContact CZ-OE1 2.69Å; R174-E200 IonicContact NH2-OE1 2.74Å; R174-E200 PolarHBondContact NH2-OE1 3.2Å; R174-E200 IonicContact NH2-OE2 3.66Å; R174-E200 PolarHBondContact NH2-OE2 2.83Å
175	R	69.9	Low	73.6	Confident	164 Å²	164	62.4 Å²	62.4	62%	0.619	32%	0.323	S	S	*	.	H	α-helix	trans	-64.4	-38	174.4	-74.2	179.5	-56.6	-179.7	7.2	112.3	S171 S172 Q173 L178 N179	S171-R175 WeakPolarHBondContact O-CG 3.06Å; S171-R175 PolarHBondContact O-N 3.1Å; S171-R175 PolarHBondContact O-NE 3.19Å; S172-R175 PolarHBondContact O-N 2.88Å; Q173-R175 VanDerWaalsContact C-N 3.34Å; Q173-R175 PolarHBondContact O-N 3.25Å; R175-L178 PolarHBondContact O-N 3.38Å; R175-N179 WeakPolarHBondContact O-CB 3.49Å; R175-N179 VanDerWaalsContact O-CG 3.24Å; R175-N179 PolarHBondContact O-N 3.28Å
176	L	68.3	Low	73.6	Confident	37 Å²	37	68.8 Å²	68.8	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.3	-68.9	172.9	0	0	0	111.7	S172 Q173 R174 N179 E180 I280	S172-L176 WeakPolarHBondContact O-CG 3.38Å; S172-L176 PolarHBondContact O-N 3.2Å; S172-L176 VanDerWaalsContact O-N 3.11Å; Q173-L176 WeakPolarHBondContact O-CB 3.04Å; Q173-L176 PolarHBondContact O-N 2.82Å; Q173-L176 VanDerWaalsContact O-N 3.14Å; R174-L176 VanDerWaalsContact C-N 3.34Å; L176-N179 PolarHBondContact O-N 3.44Å; L176-E180 PolarHBondContact O-N 3.1Å; L176-I280 HydrophobicContact CD2-CD1 3.56Å; L176-I280 HydrophobicContact CD2-CG1 4.11Å
177	A	71.7	Confident	74	Confident	6 Å²	6	69.5 Å²	69.5	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-41.6	175.8	0	0	0	0	0	112.5	M166 L169 Q173 R174 E180 V181 L205	M166-A177 HydrophobicContact SD-CB 4.41Å; L169-A177 HydrophobicContact CD1-CB 4.22Å; Q173-A177 PolarHBondContact O-N 3.36Å; R174-A177 PolarHBondContact O-N 2.83Å; A177-E180 WeakPolarHBondContact O-CB 3.43Å; A177-E180 PolarHBondContact O-N 3.37Å; A177-V181 PolarHBondContact O-N 3.37Å; A177-L205 HydrophobicContact CB-CD2 4.31Å
178	L	74.9	Confident	74.6	Confident	78 Å²	78	69.5 Å²	69.5	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-70.8	-35.9	176.1	-67.2	172.7	0	0	0	112.7	M166 R174 R175 E180 V181 S182 L205	M166-L178 HydrophobicContact CE-CD2 4.11Å; M166-L178 HydrophobicContact CE-CG 4.15Å; R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 3.49Å; R174-L178 VanDerWaalsContact O-N 3.1Å; R175-L178 PolarHBondContact O-N 3.38Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-V181 PolarHBondContact O-N 3.27Å; L178-S182 PolarHBondContact O-N 3.05Å; L178-S182 VanDerWaalsContact O-N 3.08Å; L178-L205 HydrophobicContact CD2-CD2 4.45Å
179	N	72.5	Confident	75.5	Confident	97 Å²	97	65.1 Å²	65.1	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-36.4	172.8	-78.7	-14.9	0	0	0	111.7	R175 L176 S182 L183	R175-N179 WeakPolarHBondContact O-CB 3.49Å; R175-N179 VanDerWaalsContact O-CG 3.24Å; R175-N179 PolarHBondContact O-N 3.28Å; L176-N179 PolarHBondContact O-N 3.44Å; N179-S182 PolarHBondContact O-N 3.21Å; N179-L183 WeakPolarHBondContact O-CB 3.31Å; N179-L183 PolarHBondContact O-N 3.28Å
180	E	75.1	Confident	76.6	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-48.3	174.4	-172.3	174.1	151.3	0	0	110.5	K162 L176 A177 L178 S182 L183 L184 I277 S278	K162-E180 IonicContact NZ-OE1 2.93Å; K162-E180 PolarHBondContact NZ-OE1 3.41Å; L176-E180 PolarHBondContact O-N 3.1Å; A177-E180 WeakPolarHBondContact O-CB 3.43Å; A177-E180 PolarHBondContact O-N 3.37Å; L178-E180 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.06Å; E180-L183 PolarHBondContact O-N 2.99Å; E180-L184 HydrophobicContact CG-CD1 3.92Å; E180-L184 HydrophobicContact CG-CG 4.37Å; E180-L184 WeakPolarHBondContact O-CB 3.36Å; E180-L184 WeakPolarHBondContact O-CG 3.4Å; E180-L184 PolarHBondContact O-N 2.86Å; E180-I277 HydrophobicContact CB-CG2 4.38Å; E180-I277 HydrophobicContact CG-CB 4.43Å; E180-I277 HydrophobicContact CG-CD1 4.36Å; E180-S278 WeakPolarHBondContact OE2-CB 3.47Å; E180-S278 PolarHBondContact OE2-OG 3.37Å
181	V	78.1	Confident	77.9	Confident	19 Å²	19	65.2 Å²	65.2	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-49.5	174.8	172.9	0	0	0	0	112	A177 L178 L183 L184 S185 Y195 S198 L205 I207	A177-V181 PolarHBondContact O-N 3.37Å; L178-V181 PolarHBondContact O-N 3.27Å; V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.36Å; V181-L184 PolarHBondContact O-N 3.32Å; V181-S185 WeakPolarHBondContact O-CB 3.43Å; V181-S185 PolarHBondContact O-N 3.29Å; V181-S185 PolarHBondContact O-OG 3.47Å; V181-Y195 HydrophobicContact CG1-CE2 4.32Å; V181-S198 WeakPolarHBondContact CG1-OG 3.06Å; V181-L205 HydrophobicContact CG2-CD1 4.48Å; V181-L205 HydrophobicContact CG2-CD2 4.02Å; V181-I207 HydrophobicContact CG2-CD1 3.52Å; V181-I207 HydrophobicContact CG2-CG1 3.8Å
182	S	77.6	Confident	79.1	Confident	49 Å²	49	61 Å²	61	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-37.9	-179	-173.6	0	0	0	0	112	L178 N179 E180 S185 R186	L178-S182 PolarHBondContact O-N 3.05Å; L178-S182 VanDerWaalsContact O-N 3.08Å; N179-S182 PolarHBondContact O-N 3.21Å; E180-S182 PolarHBondContact O-N 3.06Å; S182-S185 PolarHBondContact O-OG 3.47Å; S182-R186 WeakPolarHBondContact O-CG 3.12Å; S182-R186 PolarHBondContact O-NE 3.04Å
183	L	78.5	Confident	80.3	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-48.2	178.1	-170.6	161	0	0	0	111.4	N179 E180 V181 S185 R186 I187 V252 I277	N179-L183 WeakPolarHBondContact O-CB 3.31Å; N179-L183 PolarHBondContact O-N 3.28Å; E180-L183 PolarHBondContact O-N 2.99Å; V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.36Å; L183-S185 PolarHBondContact O-N 2.94Å; L183-R186 PolarHBondContact O-N 3.34Å; L183-I187 HydrophobicContact CD2-CD1 3.28Å; L183-I187 HydrophobicContact CD2-CG1 4.1Å; L183-V252 HydrophobicContact CD1-CG1 4.28Å; L183-V252 HydrophobicContact CD1-CG2 4.28Å; L183-V252 HydrophobicContact CD2-CG1 4.07Å; L183-V252 HydrophobicContact CD2-CG2 4.26Å; L183-V252 HydrophobicContact CG-CG2 4.4Å; L183-I277 HydrophobicContact CB-CD1 4.3Å; L183-I277 HydrophobicContact CD1-CD1 3.79Å; L183-I277 HydrophobicContact CD1-CG1 4.08Å; L183-I277 HydrophobicContact CD1-CG2 4.34Å; L183-I277 HydrophobicContact CD2-CD1 3.51Å; L183-I277 HydrophobicContact CG-CD1 4.06Å
184	L	81.4	Confident	81.3	Confident	6 Å²	6	58 Å²	58	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-38.7	178.6	-73.4	173.9	0	0	0	112.2	E180 V181 R186 I187 Y195 I207 M209 F275	E180-L184 HydrophobicContact CG-CD1 3.92Å; E180-L184 HydrophobicContact CG-CG 4.37Å; E180-L184 WeakPolarHBondContact O-CB 3.36Å; E180-L184 WeakPolarHBondContact O-CG 3.4Å; E180-L184 PolarHBondContact O-N 2.86Å; V181-L184 PolarHBondContact O-N 3.32Å; L184-R186 PolarHBondContact O-N 3.08Å; L184-I187 PolarHBondContact O-N 3.34Å; L184-Y195 HydrophobicContact CB-CD2 3.92Å; L184-Y195 HydrophobicContact CB-CG 4.25Å; L184-I207 HydrophobicContact CD1-CG2 4.38Å; L184-M209 HydrophobicContact CD1-CE 4.28Å; L184-M209 HydrophobicContact CD2-CE 4.44Å; L184-F275 HydrophobicContact CD2-CD2 3.5Å; L184-F275 HydrophobicContact CD2-CE2 3.73Å; L184-F275 HydrophobicContact CD2-CG 4.49Å
185	S	81.9	Confident	82.1	Confident	65 Å²	65	56.7 Å²	56.7	46%	0.455	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.9	178.4	72.7	0	0	0	0	115.1	V181 S182 L183	V181-S185 WeakPolarHBondContact O-CB 3.43Å; V181-S185 PolarHBondContact O-N 3.29Å; V181-S185 PolarHBondContact O-OG 3.47Å; S182-S185 PolarHBondContact O-OG 3.47Å; L183-S185 PolarHBondContact O-N 2.94Å
186	R	81.8	Confident	82.9	Confident	187 Å²	187	53.7 Å²	53.7	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-3.9	-178.4	-60.2	175.8	-168.7	-176.1	2.2	113.5	S182 L183 L184	S182-R186 WeakPolarHBondContact O-CG 3.12Å; S182-R186 PolarHBondContact O-NE 3.04Å; L183-R186 PolarHBondContact O-N 3.34Å; L184-R186 PolarHBondContact O-N 3.08Å
187	I	85.3	Confident	83.6	Confident	18 Å²	18	55.3 Å²	55.3	9%	0.092	28%	0.284	C	S	.	.			trans	-99.6	123.2	-177.6	-72	180	0	0	0	108.9	L183 L184 I192 Y246 L247 V252 F275	L183-I187 HydrophobicContact CD2-CD1 3.28Å; L183-I187 HydrophobicContact CD2-CG1 4.1Å; L184-I187 PolarHBondContact O-N 3.34Å; I187-I192 HydrophobicContact CG2-CB 4.49Å; I187-I192 HydrophobicContact CG2-CD1 3.94Å; I187-I192 HydrophobicContact CG2-CG2 3.83Å; I187-Y246 HydrophobicContact CB-CE1 4.5Å; I187-Y246 HydrophobicContact CG2-CE1 4Å; I187-L247 HydrophobicContact CD1-CD2 3.66Å; I187-L247 HydrophobicContact CG1-CD2 4.48Å; I187-L247 HydrophobicContact CG2-CD2 4.45Å; I187-V252 HydrophobicContact CD1-CG1 4.32Å; I187-F275 HydrophobicContact CD1-CE1 4.22Å; I187-F275 HydrophobicContact CD1-CZ 4.07Å; I187-F275 HydrophobicContact CG2-CZ 4.44Å
188	E	87.4	Confident	84.2	Confident	170 Å²	170	56.4 Å²	56.4	79%	0.794	29%	0.291	S	S	*	.			trans	-140.1	110.6	175.6	-168.8	176.5	-177.3	0	0	109.8	Y246	E188-Y246 PolarHBondContact N-OH 3.26Å; E188-Y246 VanDerWaalsContact O-CZ 3.3Å; E188-Y246 PolarHBondContact O-OH 2.89Å
189	H	91.5	Very high	84.6	Confident	30 Å²	30	54.3 Å²	54.3	14%	0.139	28%	0.279	C	S	.	.			trans	-153.6	139.9	178.3	-177	-85.5	0	0	0	110	N191 I192 S242 Y246	H189-N191 PolarHBondContact CE1-OD1 3.22Å; H189-N191 PolarHBondContact ND1-N 3.41Å; H189-N191 PolarHBondContact O-N 3.48Å; H189-N191 VanDerWaalsContact O-N 3.17Å; H189-I192 HydrophobicContact CB-CB 4.17Å; H189-I192 HydrophobicContact CB-CD1 3.77Å; H189-I192 HydrophobicContact CB-CG1 3.91Å; H189-I192 PolarHBondContact O-N 3.46Å; H189-S242 PolarHBondContact NE2-OG 2.62Å; H189-S242 VanDerWaalsContact NE2-OG 3.15Å; H189-Y246 HydrophobicContact CB-CD1 3.97Å; H189-Y246 HydrophobicContact CB-CE1 4.25Å; H189-Y246 HydrophobicContact CB-CG 4.13Å; H189-Y246 AromaticContact CD2-CG 3.87Å
190	P	90.8	Very high	85.1	Confident	92 Å²	92	54.3 Å²	54.3	60%	0.597	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.1	-175.7	21.5	-34.5	0	0	0	114	K271	P190-K271 WeakPolarHBondContact O-CD 3.45Å; P190-K271 WeakPolarHBondContact O-CE 3.28Å; P190-K271 PolarHBondContact O-NZ 2.79Å
191	N	95.3	Very high	85.1	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.091	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	20.4	178.4	-54.6	110.1	0	0	0	114.6	H189 Q239 A243 V270 K271 I272	H189-N191 PolarHBondContact CE1-OD1 3.22Å; H189-N191 PolarHBondContact ND1-N 3.41Å; H189-N191 PolarHBondContact O-N 3.48Å; H189-N191 VanDerWaalsContact O-N 3.17Å; N191-Q239 HydrophobicContact CB-CB 4.43Å; N191-Q239 PolarHBondContact ND2-OE1 3.49Å; N191-A243 HydrophobicContact CB-CB 4.04Å; N191-V270 VanDerWaalsContact CA-O 3.25Å; N191-V270 WeakPolarHBondContact CA-O 3.5Å; N191-V270 WeakPolarHBondContact CB-O 3.4Å; N191-V270 PolarHBondContact ND2-O 3.19Å; N191-K271 WeakPolarHBondContact O-CA 3.43Å; N191-I272 PolarHBondContact O-N 2.83Å
192	I	93.3	Very high	85.1	Confident	3 Å²	3	64 Å²	64	2%	0.015	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-121.7	142.6	171.9	-62.4	-179.9	0	0	0	107.8	I187 H189 A194 A243 Y246 L247 I272 F275	I187-I192 HydrophobicContact CG2-CB 4.49Å; I187-I192 HydrophobicContact CG2-CD1 3.94Å; I187-I192 HydrophobicContact CG2-CG2 3.83Å; H189-I192 HydrophobicContact CB-CB 4.17Å; H189-I192 HydrophobicContact CB-CD1 3.77Å; H189-I192 HydrophobicContact CB-CG1 3.91Å; H189-I192 PolarHBondContact O-N 3.46Å; I192-A194 PolarHBondContact O-N 3.32Å; I192-A243 HydrophobicContact CD1-CB 4.16Å; I192-A243 HydrophobicContact CG1-CB 3.68Å; I192-Y246 HydrophobicContact CD1-CD1 3.94Å; I192-Y246 HydrophobicContact CD1-CE1 4.49Å; I192-L247 HydrophobicContact CD1-CD1 4.21Å; I192-L247 HydrophobicContact CD1-CD2 3.81Å; I192-L247 HydrophobicContact CD1-CG 3.83Å; I192-I272 CarbonylContact C-O 3.57Å; I192-I272 WeakPolarHBondContact CA-O 3.49Å; I192-F275 HydrophobicContact CD1-CZ 4.49Å; I192-F275 HydrophobicContact CG2-CE2 3.92Å; I192-F275 HydrophobicContact CG2-CZ 3.6Å
193	I	91.6	Very high	84.9	Confident	15 Å²	15	62 Å²	62	8%	0.077	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59	119.5	174.1	-66.2	-68.8	0	0	0	109	M209 E210 A212 F263 K271 I272	I193-M209 HydrophobicContact CG2-CB 4.02Å; I193-M209 HydrophobicContact CG2-CE 3.88Å; I193-E210 HydrophobicContact CG2-CB 4.12Å; I193-A212 HydrophobicContact CD1-CB 3.97Å; I193-F263 HydrophobicContact CD1-CB 4.39Å; I193-F263 HydrophobicContact CD1-CD2 4.21Å; I193-F263 HydrophobicContact CD1-CG 4.42Å; I193-F263 HydrophobicContact CG1-CD2 4.03Å; I193-K271 HydrophobicContact CD1-CB 3.59Å; I193-K271 HydrophobicContact CD1-CG 4.21Å; I193-K271 HydrophobicContact CG1-CB 4.1Å; I193-I272 PolarHBondContact N-O 2.97Å
194	A	88.8	Confident	85	Confident	35 Å²	35	61.8 Å²	61.8	29%	0.289	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-70.2	139.8	-178.5	0	0	0	0	0	112.1	I192 Y196 M209 E210	I192-A194 PolarHBondContact O-N 3.32Å; A194-Y196 HydrophobicContact CB-CE1 3.96Å; A194-M209 CarbonylContact O-C 3.58Å; A194-M209 VanDerWaalsContact O-CA 3.31Å; A194-M209 WeakPolarHBondContact O-CA 3.5Å; A194-E210 HydrophobicContact CB-CB 4.05Å; A194-E210 PolarHBondContact N-OE2 3.44Å; A194-E210 VanDerWaalsContact N-OE2 3.1Å; A194-E210 PolarHBondContact O-N 3.14Å
195	Y	88.9	Confident	85.1	Confident	50 Å²	50	61.8 Å²	61.8	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.3	165.7	169.2	-85.9	0	0	0	109.3	V181 L184 D197 S198 I207	V181-Y195 HydrophobicContact CG1-CE2 4.32Å; L184-Y195 HydrophobicContact CB-CD2 3.92Å; L184-Y195 HydrophobicContact CB-CG 4.25Å; Y195-D197 VanDerWaalsContact CZ-C 3.45Å; Y195-S198 WeakPolarHBondContact OH-CB 3.46Å; Y195-S198 PolarHBondContact OH-N 2.96Å; Y195-S198 PolarHBondContact OH-OG 2.81Å; Y195-I207 HydrophobicContact CD2-CG2 3.91Å; Y195-I207 HydrophobicContact CE2-CG2 3.86Å
196	Y	85.7	Confident	85.3	Confident	101 Å²	101	59.5 Å²	59.5	40%	0.396	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-54.4	176.9	-63.1	-36.8	0	0	0	112.8	R152 V159 A194 E208 E210	R152-Y196 VanDerWaalsContact NH2-CD2 3.33Å; V159-Y196 HydrophobicContact CG1-CD2 4.12Å; V159-Y196 HydrophobicContact CG1-CE2 4.04Å; A194-Y196 HydrophobicContact CB-CE1 3.96Å; Y196-E208 HydrophobicContact CD2-CG 4.21Å; Y196-E208 PolarHBondContact N-O 3.04Å; Y196-E210 HydrophobicContact CE2-CB 4.3Å
197	D	84.4	Confident	85.5	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	169.4	-177.8	-160.3	9.2	0	0	0	111.1	Y195 E208	Y195-D197 VanDerWaalsContact CZ-C 3.45Å; D197-E208 WeakPolarHBondContact O-CB 3.25Å; D197-E208 PolarHBondContact O-N 3.43Å
198	S	83.1	Confident	85.7	Confident	29 Å²	29	50 Å²	50	20%	0.203	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.3	169.2	59.6	0	0	0	0	112	V181 Y195 M206	V181-S198 WeakPolarHBondContact CG1-OG 3.06Å; Y195-S198 WeakPolarHBondContact OH-CB 3.46Å; Y195-S198 PolarHBondContact OH-N 2.96Å; Y195-S198 PolarHBondContact OH-OG 2.81Å; S198-M206 CarbonylContact C-O 3.59Å; S198-M206 WeakPolarHBondContact CA-O 3.49Å; S198-M206 WeakPolarHBondContact CB-O 3.34Å
199	F	84.5	Confident	85.8	Confident	34 Å²	34	42.8 Å²	42.8	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.2	179.1	52.6	-89.2	0	0	0	110.6	A129 Y133 M206	A129-F199 HydrophobicContact CB-CE2 3.77Å; A129-F199 HydrophobicContact CB-CZ 4.13Å; Y133-F199 HydrophobicContact CD2-CZ 4.41Å; Y133-F199 HydrophobicContact CE2-CE1 4.01Å; Y133-F199 AromaticContact CE2-CZ 3.76Å; Y133-F199 HydrophobicContact CE2-CZ 3.76Å; F199-M206 HydrophobicContact CD2-CB 3.89Å; F199-M206 HydrophobicContact CD2-CG 4.22Å; F199-M206 HydrophobicContact CE1-CB 4.27Å; F199-M206 HydrophobicContact CE2-CB 3.51Å; F199-M206 HydrophobicContact CE2-CG 3.72Å; F199-M206 HydrophobicContact CG-CB 4.4Å; F199-M206 HydrophobicContact CZ-CB 3.72Å; F199-M206 HydrophobicContact CZ-CG 4.28Å; F199-M206 PolarHBondContact N-O 2.76Å; F199-M206 WeakPolarHBondContact O-CB 3.33Å; F199-M206 PolarHBondContact O-N 2.88Å
200	E	81.3	Confident	85.8	Confident	96 Å²	96	43.1 Å²	43.1	45%	0.449	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.4	174.8	-172.7	174.6	165.4	0	0	108.8	R174 V204	R174-E200 IonicContact CZ-OE1 2.69Å; R174-E200 IonicContact NH2-OE1 2.74Å; R174-E200 PolarHBondContact NH2-OE1 3.2Å; R174-E200 IonicContact NH2-OE2 3.66Å; R174-E200 PolarHBondContact NH2-OE2 2.83Å; E200-V204 WeakPolarHBondContact CA-O 3.13Å
201	E	76.6	Confident	85.8	Confident	61 Å²	61	41.6 Å²	41.6	29%	0.285	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.6	177.1	-172.4	169	-164.9	0	0	109.1	S128 A129 G203 V204	S128-E201 VanDerWaalsContact CA-OE1 3.25Å; S128-E201 WeakPolarHBondContact CA-OE1 3.24Å; S128-E201 WeakPolarHBondContact CB-OE1 3.38Å; A129-E201 WeakPolarHBondContact CB-OE2 3.23Å; A129-E201 PolarHBondContact N-OE1 3.23Å; A129-E201 PolarHBondContact N-OE2 3.17Å; E201-G203 PolarHBondContact O-N 3.28Å; E201-G203 VanDerWaalsContact O-N 3.08Å; E201-V204 PolarHBondContact N-O 2.83Å; E201-V204 PolarHBondContact O-N 2.98Å
202	E	77.9	Confident	85.6	Confident	168 Å²	168	41.1 Å²	41.1	79%	0.785	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	34.1	-179.1	-60.8	-176.7	173	0	0	114.2	Y167 V204	Y167-E202 WeakPolarHBondContact CE2-O 3.35Å; E202-V204 VanDerWaalsContact C-N 3.28Å; E202-V204 PolarHBondContact O-N 2.82Å
203	G	73.2	Confident	85.3	Confident	6 Å²	6	43.7 Å²	43.7	6%	0.062	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	12.7	-178.8	0	0	0	0	0	114.9	M166 E201	M166-G203 WeakPolarHBondContact CB-O 3.47Å; M166-G203 PolarHBondContact N-O 3Å; E201-G203 PolarHBondContact O-N 3.28Å; E201-G203 VanDerWaalsContact O-N 3.08Å
204	V	80.7	Confident	85.1	Confident	42 Å²	42	44.8 Å²	44.8	26%	0.255	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121	169.1	-175.6	0	0	0	0	108.9	E163 I164 E200 E201 E202 M206	E163-V204 HydrophobicContact CB-CG1 4Å; I164-V204 CarbonylContact O-C 3.51Å; I164-V204 WeakPolarHBondContact O-CA 3.43Å; E200-V204 WeakPolarHBondContact CA-O 3.13Å; E201-V204 PolarHBondContact N-O 2.83Å; E201-V204 PolarHBondContact O-N 2.98Å; E202-V204 VanDerWaalsContact C-N 3.28Å; E202-V204 PolarHBondContact O-N 2.82Å; V204-M206 HydrophobicContact CG1-CG 4.41Å; V204-M206 HydrophobicContact CG1-SD 3.87Å
205	L	83.4	Confident	85.2	Confident	6 Å²	6	44 Å²	44	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.2	170.6	175.2	65.4	0	0	0	108.9	I164 M166 A177 L178 V181 I207	I164-L205 HydrophobicContact CB-CB 4.28Å; I164-L205 PolarHBondContact N-O 2.9Å; I164-L205 PolarHBondContact O-N 2.96Å; M166-L205 HydrophobicContact CE-CB 4.34Å; M166-L205 HydrophobicContact CE-CD2 4.21Å; M166-L205 HydrophobicContact CG-CB 3.7Å; M166-L205 HydrophobicContact SD-CB 3.65Å; M166-L205 HydrophobicContact SD-CD2 4Å; M166-L205 HydrophobicContact SD-CG 4.48Å; A177-L205 HydrophobicContact CB-CD2 4.31Å; L178-L205 HydrophobicContact CD2-CD2 4.45Å; V181-L205 HydrophobicContact CG2-CD1 4.48Å; V181-L205 HydrophobicContact CG2-CD2 4.02Å; L205-I207 HydrophobicContact CD2-CD1 4.34Å; L205-I207 HydrophobicContact CD2-CG1 4.45Å; L205-I207 HydrophobicContact CG-CG1 4.16Å
206	M	84.8	Confident	85.4	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.4	-179.2	-61.5	-69.9	-94.6	0	0	108.5	I161 E163 S198 F199 V204	I161-M206 HydrophobicContact CG2-CB 3.76Å; I161-M206 HydrophobicContact CG2-CE 3.63Å; I161-M206 HydrophobicContact CG2-CG 4.32Å; I161-M206 HydrophobicContact CG2-SD 3.76Å; E163-M206 HydrophobicContact CB-SD 3.77Å; E163-M206 HydrophobicContact CG-CE 3.99Å; E163-M206 HydrophobicContact CG-SD 3.51Å; E163-M206 VanDerWaalsContact CG-SD 3.51Å; S198-M206 CarbonylContact C-O 3.59Å; S198-M206 WeakPolarHBondContact CA-O 3.49Å; S198-M206 WeakPolarHBondContact CB-O 3.34Å; F199-M206 HydrophobicContact CD2-CB 3.89Å; F199-M206 HydrophobicContact CD2-CG 4.22Å; F199-M206 HydrophobicContact CE1-CB 4.27Å; F199-M206 HydrophobicContact CE2-CB 3.51Å; F199-M206 HydrophobicContact CE2-CG 3.72Å; F199-M206 HydrophobicContact CG-CB 4.4Å; F199-M206 HydrophobicContact CZ-CB 3.72Å; F199-M206 HydrophobicContact CZ-CG 4.28Å; F199-M206 PolarHBondContact N-O 2.76Å; F199-M206 WeakPolarHBondContact O-CB 3.33Å; F199-M206 PolarHBondContact O-N 2.88Å; V204-M206 HydrophobicContact CG1-CG 4.41Å; V204-M206 HydrophobicContact CG1-SD 3.87Å
207	I	87.2	Confident	85.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.7	178	-52.1	175.7	0	0	0	108.4	I161 K162 I164 V181 L184 Y195 L205 M209	I161-I207 CarbonylContact C-O 3.54Å; I161-I207 VanDerWaalsContact CA-O 3.31Å; I161-I207 WeakPolarHBondContact CA-O 3.26Å; K162-I207 HydrophobicContact CB-CB 4.29Å; K162-I207 PolarHBondContact N-O 3.09Å; K162-I207 PolarHBondContact O-N 3.49Å; I164-I207 HydrophobicContact CD1-CD1 3.97Å; V181-I207 HydrophobicContact CG2-CD1 3.52Å; V181-I207 HydrophobicContact CG2-CG1 3.8Å; L184-I207 HydrophobicContact CD1-CG2 4.38Å; Y195-I207 HydrophobicContact CD2-CG2 3.91Å; Y195-I207 HydrophobicContact CE2-CG2 3.86Å; L205-I207 HydrophobicContact CD2-CD1 4.34Å; L205-I207 HydrophobicContact CD2-CG1 4.45Å; L205-I207 HydrophobicContact CG-CG1 4.16Å; I207-M209 HydrophobicContact CG2-CG 4.1Å; I207-M209 HydrophobicContact CG2-SD 4.39Å
208	E	88.8	Confident	86.1	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.4	-177.4	-171.4	-178.4	-144.2	0	0	111.7	Y133 R152 V159 I160 I161 Y196 D197	Y133-E208 WeakPolarHBondContact CE1-OE1 3.39Å; Y133-E208 VanDerWaalsContact CZ-OE1 3.32Å; Y133-E208 PolarHBondContact OH-OE1 3.02Å; Y133-E208 PolarHBondContact OH-OE2 3.44Å; R152-E208 IonicContact CZ-OE1 3.67Å; R152-E208 IonicContact CZ-OE2 3.54Å; R152-E208 IonicContact NE-OE1 2.59Å; R152-E208 PolarHBondContact NE-OE1 3.17Å; R152-E208 IonicContact NE-OE2 2.67Å; R152-E208 IonicContact NH2-OE1 3.37Å; R152-E208 PolarHBondContact NH2-OE1 2.75Å; R152-E208 IonicContact NH2-OE2 2.65Å; R152-E208 PolarHBondContact NH2-OE2 2.95Å; V159-E208 HydrophobicContact CB-CG 4.18Å; V159-E208 HydrophobicContact CG1-CG 4.49Å; V159-E208 HydrophobicContact CG2-CG 4.24Å; I160-E208 CarbonylContact O-C 3.54Å; I161-E208 HydrophobicContact CG1-CG 4.38Å; Y196-E208 HydrophobicContact CD2-CG 4.21Å; Y196-E208 PolarHBondContact N-O 3.04Å; D197-E208 WeakPolarHBondContact O-CB 3.25Å; D197-E208 PolarHBondContact O-N 3.43Å
209	M	90.1	Very high	86.6	Confident	20 Å²	20	38.5 Å²	38.5	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.3	-169.9	-51.7	-177	79.3	0	0	112.1	I160 L184 I193 A194 I207	I160-M209 PolarHBondContact N-O 2.85Å; I160-M209 PolarHBondContact O-N 3.2Å; L184-M209 HydrophobicContact CD1-CE 4.28Å; L184-M209 HydrophobicContact CD2-CE 4.44Å; I193-M209 HydrophobicContact CG2-CB 4.02Å; I193-M209 HydrophobicContact CG2-CE 3.88Å; A194-M209 CarbonylContact O-C 3.58Å; A194-M209 VanDerWaalsContact O-CA 3.31Å; A194-M209 WeakPolarHBondContact O-CA 3.5Å; I207-M209 HydrophobicContact CG2-CG 4.1Å; I207-M209 HydrophobicContact CG2-SD 4.39Å
210	E	90.8	Very high	87	Confident	37 Å²	37	38.9 Å²	38.9	17%	0.173	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	137.6	173.2	-179.3	-179.4	-166.2	0	0	112.1	I193 A194 Y196 K271	I193-E210 HydrophobicContact CG2-CB 4.12Å; A194-E210 HydrophobicContact CB-CB 4.05Å; A194-E210 PolarHBondContact N-OE2 3.44Å; A194-E210 VanDerWaalsContact N-OE2 3.1Å; A194-E210 PolarHBondContact O-N 3.14Å; Y196-E210 HydrophobicContact CE2-CB 4.3Å; E210-K271 WeakPolarHBondContact OE1-CE 3.47Å; E210-K271 IonicContact OE1-NZ 3.94Å; E210-K271 PolarHBondContact OE1-NZ 2.81Å; E210-K271 WeakPolarHBondContact OE2-CE 3.22Å; E210-K271 IonicContact OE2-NZ 3.31Å; E210-K271 PolarHBondContact OE2-NZ 3.35Å
211	Y	91.4	Very high	87.5	Confident	59 Å²	59	34.9 Å²	34.9	23%	0.231	19%	0.191	C	C	.	.			trans	-95.7	112.6	172.3	176.8	-126.2	0	0	0	111.3	L149 L158 I160 D213	L149-Y211 HydrophobicContact CD1-CD1 3.76Å; L149-Y211 HydrophobicContact CD1-CD2 3.75Å; L149-Y211 HydrophobicContact CD1-CE1 3.98Å; L149-Y211 HydrophobicContact CD1-CE2 4Å; L149-Y211 HydrophobicContact CD1-CG 3.62Å; L149-Y211 HydrophobicContact CD2-CE1 4.37Å; L158-Y211 HydrophobicContact CB-CD1 3.77Å; L158-Y211 HydrophobicContact CB-CG 4.47Å; L158-Y211 HydrophobicContact CD1-CD1 4.07Å; L158-Y211 HydrophobicContact CD1-CE1 4.03Å; I160-Y211 HydrophobicContact CD1-CD2 3.57Å; I160-Y211 HydrophobicContact CD1-CE2 4.2Å; I160-Y211 HydrophobicContact CD1-CG 4.34Å; I160-Y211 HydrophobicContact CG1-CD2 3.76Å; I160-Y211 HydrophobicContact CG1-CG 4.36Å; Y211-D213 HydrophobicContact CD1-CB 4.28Å; Y211-D213 HydrophobicContact CE1-CB 3.82Å
212	A	90.8	Very high	88.2	Confident	8 Å²	8	36.6 Å²	36.6	7%	0.066	21%	0.21	C	C	.	.			trans	-84.7	117	169.4	0	0	0	0	0	110.6	I193 F263	I193-A212 HydrophobicContact CD1-CB 3.97Å; A212-F263 HydrophobicContact CB-CB 3.62Å; A212-F263 HydrophobicContact CB-CG 4.38Å
213	D	88.4	Confident	88.8	Confident	57 Å²	57	37.9 Å²	37.9	31%	0.305	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-3.1	-166.2	68.6	-19.9	0	0	0	115.3	Y211 T265 R266	Y211-D213 HydrophobicContact CD1-CB 4.28Å; Y211-D213 HydrophobicContact CE1-CB 3.82Å; D213-T265 WeakPolarHBondContact OD1-CA 3.34Å; D213-R266 PolarHBondContact OD1-N 2.83Å; D213-R266 WeakPolarHBondContact OD2-CD 3.41Å; D213-R266 VanDerWaalsContact OD2-CG 3.26Å; D213-R266 WeakPolarHBondContact OD2-CG 3.49Å; D213-R266 IonicContact OD2-CZ 3.65Å; D213-R266 IonicContact OD2-NE 2.75Å; D213-R266 PolarHBondContact OD2-NE 3.41Å
214	G	86.4	Confident	89.5	Confident	37 Å²	37	39.3 Å²	39.3	38%	0.381	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.4	177.4	0	0	0	0	0	114.9	L264	G214-L264 CarbonylContact C-O 3.59Å; G214-L264 WeakPolarHBondContact CA-O 3.47Å; G214-L264 PolarHBondContact N-O 3.17Å
215	G	90.6	Very high	89.5	Confident	20 Å²	20	45.9 Å²	45.9	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-160.5	-178.2	0	0	0	0	0	113	F263 L264	G215-F263 WeakPolarHBondContact O-CA 3.4Å; G215-L264 PolarHBondContact O-N 3.12Å
216	T	92.4	Very high	89.7	Confident	18 Å²	18	51.9 Å²	51.9	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.4	179.5	68.2	0	0	0	0	112.2	A218 Q219 M220 A260 V262 F263	T216-A218 PolarHBondContact O-N 3.15Å; T216-Q219 WeakPolarHBondContact O-CB 3.34Å; T216-Q219 PolarHBondContact O-N 2.92Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.03Å; T216-Q219 PolarHBondContact OG1-N 3.29Å; T216-M220 PolarHBondContact O-N 3.11Å; T216-A260 WeakPolarHBondContact CG2-O 3.33Å; T216-V262 CarbonylContact C-O 3.5Å; T216-V262 WeakPolarHBondContact CA-O 3.49Å; T216-F263 HydrophobicContact CG2-CD1 3.8Å; T216-F263 HydrophobicContact CG2-CE1 3.77Å
217	L	94.4	Very high	89.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-37.3	173.4	179	60.3	0	0	0	111.2	Q219 M220 L221 M236 M240 T259 V262 I322 M326	L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-Q219 PolarHBondContact O-N 3.48Å; L217-M220 HydrophobicContact CD1-CE 3.41Å; L217-M220 VanDerWaalsContact CD1-CE 3.41Å; L217-M220 HydrophobicContact CD1-SD 4.32Å; L217-M220 WeakPolarHBondContact O-CB 3.46Å; L217-M220 PolarHBondContact O-N 3.28Å; L217-L221 HydrophobicContact CD1-CD1 4.2Å; L217-L221 HydrophobicContact CD1-CD2 4.47Å; L217-L221 HydrophobicContact CD1-CG 4.05Å; L217-L221 HydrophobicContact CG-CD1 3.97Å; L217-L221 HydrophobicContact CG-CG 4.28Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 2.99Å; L217-M236 HydrophobicContact CD1-SD 4.31Å; L217-M240 HydrophobicContact CD2-CE 4.49Å; L217-T259 WeakPolarHBondContact CB-O 3.4Å; L217-T259 HydrophobicContact CD2-CG2 4.01Å; L217-T259 HydrophobicContact CG-CG2 4.23Å; L217-T259 PolarHBondContact N-O 3.03Å; L217-V262 HydrophobicContact CB-CB 3.93Å; L217-V262 HydrophobicContact CB-CG1 4.01Å; L217-V262 HydrophobicContact CD2-CB 4.21Å; L217-V262 HydrophobicContact CD2-CG1 4.04Å; L217-V262 PolarHBondContact N-O 3.49Å; L217-I322 HydrophobicContact CD2-CG2 3.81Å; L217-M326 HydrophobicContact CD1-CG 4.37Å; L217-M326 HydrophobicContact CD1-SD 4.13Å; L217-M326 HydrophobicContact CD2-CG 4.21Å; L217-M326 HydrophobicContact CD2-SD 3.88Å
218	A	92.2	Very high	89.9	Confident	28 Å²	28	55.6 Å²	55.6	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-43	173.2	0	0	0	0	0	112.6	T216 S222 T259 A260	T216-A218 PolarHBondContact O-N 3.15Å; A218-S222 WeakPolarHBondContact O-CB 3.41Å; A218-S222 PolarHBondContact O-N 3.02Å; A218-S222 PolarHBondContact O-OG 3.3Å; A218-S222 VanDerWaalsContact O-OG 3.05Å; A218-T259 PolarHBondContact N-O 3.27Å; A218-A260 HydrophobicContact CB-CB 4.4Å
219	Q	91.8	Very high	90	Very high	90 Å²	90	61.1 Å²	61.1	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-37.2	176.3	-70.9	169.3	-5.1	0	0	112	T216 L217 S222 R223	T216-Q219 WeakPolarHBondContact O-CB 3.34Å; T216-Q219 PolarHBondContact O-N 2.92Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.03Å; T216-Q219 PolarHBondContact OG1-N 3.29Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-Q219 PolarHBondContact O-N 3.48Å; Q219-S222 WeakPolarHBondContact CA-OG 3.41Å; Q219-S222 PolarHBondContact O-OG 2.85Å; Q219-R223 WeakPolarHBondContact O-CG 3.34Å; Q219-R223 PolarHBondContact O-N 3.26Å
220	M	93.1	Very high	90	Very high	41 Å²	41	63 Å²	63	20%	0.202	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-55.3	173.2	-172.1	-170.4	85.9	0	0	110.8	T216 L217 S222 R223 T224 L228 M236 L264	T216-M220 PolarHBondContact O-N 3.11Å; L217-M220 HydrophobicContact CD1-CE 3.41Å; L217-M220 VanDerWaalsContact CD1-CE 3.41Å; L217-M220 HydrophobicContact CD1-SD 4.32Å; L217-M220 WeakPolarHBondContact O-CB 3.46Å; L217-M220 PolarHBondContact O-N 3.28Å; M220-S222 VanDerWaalsContact C-N 3.31Å; M220-S222 PolarHBondContact O-N 3.16Å; M220-R223 PolarHBondContact O-N 2.85Å; M220-T224 PolarHBondContact O-N 2.95Å; M220-T224 VanDerWaalsContact O-N 3.13Å; M220-T224 PolarHBondContact O-OG1 3.28Å; M220-L228 HydrophobicContact CE-CD1 3.81Å; M220-L228 HydrophobicContact CE-CD2 4.49Å; M220-M236 HydrophobicContact CE-CE 4.14Å; M220-M236 HydrophobicContact CE-SD 4.15Å; M220-L264 HydrophobicContact CB-CD1 4.01Å; M220-L264 HydrophobicContact CG-CD1 4.3Å; M220-L264 HydrophobicContact SD-CD1 3.54Å; M220-L264 VanDerWaalsContact SD-CD1 3.54Å
221	L	92.7	Very high	90	Very high	13 Å²	13	68.1 Å²	68.1	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-37.5	-176.8	-66.7	173.9	0	0	0	112.8	L217 R223 T224 L228 T259 E325 M326 L329	L217-L221 HydrophobicContact CD1-CD1 4.2Å; L217-L221 HydrophobicContact CD1-CD2 4.47Å; L217-L221 HydrophobicContact CD1-CG 4.05Å; L217-L221 HydrophobicContact CG-CD1 3.97Å; L217-L221 HydrophobicContact CG-CG 4.28Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.46Å; L217-L221 PolarHBondContact O-N 2.99Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 2.81Å; L221-T224 PolarHBondContact O-N 2.81Å; L221-L228 HydrophobicContact CD2-CD1 3.73Å; L221-T259 HydrophobicContact CD1-CG2 3.93Å; L221-E325 HydrophobicContact CD1-CG 4.02Å; L221-M326 HydrophobicContact CD1-CG 4.25Å; L221-M326 HydrophobicContact CD2-CG 4.25Å; L221-L329 HydrophobicContact CD2-CD2 3.81Å
222	S	90.3	Very high	90	Very high	97 Å²	97	68.7 Å²	68.7	68%	0.678	36%	0.362	S	S	*	.	H	α-helix	trans	-67.3	-22.1	176	59.3	0	0	0	0	114.7	A218 Q219 M220	A218-S222 WeakPolarHBondContact O-CB 3.41Å; A218-S222 PolarHBondContact O-N 3.02Å; A218-S222 PolarHBondContact O-OG 3.3Å; A218-S222 VanDerWaalsContact O-OG 3.05Å; Q219-S222 WeakPolarHBondContact CA-OG 3.41Å; Q219-S222 PolarHBondContact O-OG 2.85Å; M220-S222 VanDerWaalsContact C-N 3.31Å; M220-S222 PolarHBondContact O-N 3.16Å
223	R	90.3	Very high	90.1	Very high	194 Å²	194	68.3 Å²	68.3	73%	0.732	36%	0.359	S	S	*	.	H	α-helix	trans	-92.3	-19.7	176.6	-67.3	172.5	-176.1	172.1	3.1	112.4	Q219 M220 L221	Q219-R223 WeakPolarHBondContact O-CG 3.34Å; Q219-R223 PolarHBondContact O-N 3.26Å; M220-R223 PolarHBondContact O-N 2.85Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 2.81Å
224	T	89.2	Confident	90.4	Very high	37 Å²	37	66 Å²	66	23%	0.227	35%	0.348	C	S	.	.			trans	-72.1	124.1	-178.9	-62.6	0	0	0	0	110.9	M220 L221 N226 L228 L329	M220-T224 PolarHBondContact O-N 2.95Å; M220-T224 VanDerWaalsContact O-N 3.13Å; M220-T224 PolarHBondContact O-OG1 3.28Å; L221-T224 PolarHBondContact O-N 2.81Å; T224-N226 WeakPolarHBondContact CG2-O 3.41Å; T224-L228 HydrophobicContact CG2-CD2 3.82Å; T224-L228 HydrophobicContact CG2-CG 4.27Å; T224-L329 HydrophobicContact CG2-CD1 3.95Å; T224-L329 HydrophobicContact CG2-CD2 3.99Å
225	Q	80.3	Confident	90.7	Very high	180 Å²	180	68.3 Å²	68.3	84%	0.841	35%	0.352	S	S	*	.			trans	-99	-28.5	178	-67	-172.6	-8.4	0	0	113.6
226	N	87	Confident	90.9	Very high	131 Å²	131	67.7 Å²	67.7	70%	0.701	34%	0.344	S	S	*	.	S	Bend	trans	-109.6	154.8	-179.5	-64.8	-37.3	0	0	0	110.4	T224	T224-N226 WeakPolarHBondContact CG2-O 3.41Å
227	L	87.6	Confident	91	Very high	79 Å²	79	66.9 Å²	66.9	41%	0.414	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-54.9	141.7	174.2	-63	-177.8	0	0	0	111	C327 L329 Y357	L227-C327 WeakPolarHBondContact CD2-O 3.37Å; L227-L329 HydrophobicContact CD2-CD1 4.41Å; L227-L329 HydrophobicContact CD2-CG 4.44Å; L227-Y357 HydrophobicContact CD1-CE2 4.46Å
228	L	88.9	Confident	91.1	Very high	17 Å²	17	68.5 Å²	68.5	9%	0.089	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-76.2	151.6	178.4	-64.6	174.9	0	0	0	110.5	M220 L221 T224 I233 M236 M326 Y357	M220-L228 HydrophobicContact CE-CD1 3.81Å; M220-L228 HydrophobicContact CE-CD2 4.49Å; L221-L228 HydrophobicContact CD2-CD1 3.73Å; T224-L228 HydrophobicContact CG2-CD2 3.82Å; T224-L228 HydrophobicContact CG2-CG 4.27Å; L228-I233 HydrophobicContact CB-CD1 3.93Å; L228-I233 HydrophobicContact CB-CG1 3.84Å; L228-I233 HydrophobicContact CD1-CG1 4.4Å; L228-M236 HydrophobicContact CD1-CE 4.42Å; L228-M326 HydrophobicContact CD1-CB 4.44Å; L228-Y357 VanDerWaalsContact O-CE1 3.32Å; L228-Y357 WeakPolarHBondContact O-CE1 3.41Å; L228-Y357 PolarHBondContact O-OH 2.82Å
229	D	90.4	Very high	91.2	Very high	121 Å²	121	68.6 Å²	68.6	65%	0.647	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-70.5	139.7	175.9	-70.3	-32.7	0	0	0	111	E231 Q232 I233	D229-E231 VanDerWaalsContact C-N 3.28Å; D229-E231 PolarHBondContact O-N 3.42Å; D229-Q232 HydrophobicContact CB-CB 4.48Å; D229-Q232 WeakPolarHBondContact O-CB 3.34Å; D229-Q232 PolarHBondContact O-N 3.34Å; D229-Q232 VanDerWaalsContact O-N 3.15Å; D229-I233 WeakPolarHBondContact O-CG1 3.48Å; D229-I233 PolarHBondContact O-N 3.12Å
230	E	91.7	Very high	91.4	Very high	59 Å²	59	64.3 Å²	64.3	28%	0.276	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-37.7	-175.5	-171.7	176.4	150.2	0	0	112.9	I233 G234 Y357 S358 M361	E230-I233 PolarHBondContact O-N 3.07Å; E230-G234 PolarHBondContact O-N 3.21Å; E230-Y357 HydrophobicContact CB-CD1 4.1Å; E230-Y357 HydrophobicContact CG-CD1 4.35Å; E230-Y357 VanDerWaalsContact OE2-CA 3.29Å; E230-Y357 WeakPolarHBondContact OE2-CA 3.46Å; E230-S358 WeakPolarHBondContact OE1-CB 3.36Å; E230-S358 PolarHBondContact OE1-OG 2.88Å; E230-S358 WeakPolarHBondContact OE2-CB 3.33Å; E230-S358 PolarHBondContact OE2-N 3.38Å; E230-M361 HydrophobicContact CG-CB 4.39Å; E230-M361 HydrophobicContact CG-CE 3.56Å; E230-M361 HydrophobicContact CG-CG 4.43Å
231	E	89.4	Confident	91.6	Very high	144 Å²	144	62.4 Å²	62.4	67%	0.673	31%	0.313	S	S	*	.	H	α-helix	trans	-61	-45.9	177.4	-173.9	174.4	-167.3	0	0	111	D229 I233 G234 D235	D229-E231 VanDerWaalsContact C-N 3.28Å; D229-E231 PolarHBondContact O-N 3.42Å; E231-I233 PolarHBondContact O-N 2.82Å; E231-G234 PolarHBondContact O-N 3.37Å; E231-D235 PolarHBondContact O-N 3.28Å
232	Q	91.4	Very high	91.7	Very high	72 Å²	72	63.7 Å²	63.7	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.7	-165.1	-170.3	8.7	0	0	111.5	D229 G234 M236	D229-Q232 HydrophobicContact CB-CB 4.48Å; D229-Q232 WeakPolarHBondContact O-CB 3.34Å; D229-Q232 PolarHBondContact O-N 3.34Å; D229-Q232 VanDerWaalsContact O-N 3.15Å; Q232-G234 VanDerWaalsContact C-N 3.35Å; Q232-M236 HydrophobicContact CG-CE 4.11Å; Q232-M236 WeakPolarHBondContact O-CE 3.29Å; Q232-M236 WeakPolarHBondContact O-CG 3.47Å; Q232-M236 PolarHBondContact O-N 3.41Å; Q232-M236 VanDerWaalsContact O-N 3.17Å
233	I	94.4	Very high	91.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175.6	-63.8	175.3	0	0	0	110.4	L228 D229 E230 E231 M236 M237 L323 M326 Y357 M361	L228-I233 HydrophobicContact CB-CD1 3.93Å; L228-I233 HydrophobicContact CB-CG1 3.84Å; L228-I233 HydrophobicContact CD1-CG1 4.4Å; D229-I233 WeakPolarHBondContact O-CG1 3.48Å; D229-I233 PolarHBondContact O-N 3.12Å; E230-I233 PolarHBondContact O-N 3.07Å; E231-I233 PolarHBondContact O-N 2.82Å; I233-M236 PolarHBondContact O-N 3.44Å; I233-M237 HydrophobicContact CG2-CG 4.49Å; I233-M237 WeakPolarHBondContact O-CB 3.24Å; I233-M237 WeakPolarHBondContact O-CG 3.41Å; I233-M237 PolarHBondContact O-N 3.29Å; I233-L323 HydrophobicContact CG2-CD1 3.38Å; I233-M326 HydrophobicContact CG1-CB 4.34Å; I233-M326 HydrophobicContact CG2-CB 4.29Å; I233-M326 HydrophobicContact CG2-CE 4.04Å; I233-Y357 HydrophobicContact CD1-CD1 4.31Å; I233-Y357 HydrophobicContact CD1-CE1 3.52Å; I233-M361 HydrophobicContact CB-CE 4.38Å; I233-M361 HydrophobicContact CG2-CE 4.01Å; I233-M361 HydrophobicContact CG2-SD 4.31Å
234	G	93.6	Very high	92.2	Very high	8 Å²	8	49.8 Å²	49.8	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-47.9	179	0	0	0	0	0	112.2	E230 E231 Q232 M236 M237 I238	E230-G234 PolarHBondContact O-N 3.21Å; E231-G234 PolarHBondContact O-N 3.37Å; Q232-G234 VanDerWaalsContact C-N 3.35Å; G234-M236 PolarHBondContact O-N 3.42Å; G234-M237 PolarHBondContact O-N 3.2Å; G234-I238 VanDerWaalsContact O-CG1 3.25Å; G234-I238 WeakPolarHBondContact O-CG1 3.48Å; G234-I238 PolarHBondContact O-N 3.31Å
235	D	92.2	Very high	92.5	Very high	85 Å²	85	48.4 Å²	48.4	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-43.6	179.2	-77	-18	0	0	0	112.5	E231 M237 I238 Q239	E231-D235 PolarHBondContact O-N 3.28Å; D235-M237 VanDerWaalsContact C-N 3.35Å; D235-I238 PolarHBondContact O-N 3.38Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3.12Å; D235-Q239 VanDerWaalsContact O-N 3.12Å; D235-Q239 PolarHBondContact O-NE2 2.78Å
236	M	94.7	Very high	93.1	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-42.4	175.5	-70.5	-174.8	-69.4	0	0	111.2	L217 M220 L228 Q232 I233 G234 Q239 M240 V270 M326	L217-M236 HydrophobicContact CD1-SD 4.31Å; M220-M236 HydrophobicContact CE-CE 4.14Å; M220-M236 HydrophobicContact CE-SD 4.15Å; L228-M236 HydrophobicContact CD1-CE 4.42Å; Q232-M236 HydrophobicContact CG-CE 4.11Å; Q232-M236 WeakPolarHBondContact O-CE 3.29Å; Q232-M236 WeakPolarHBondContact O-CG 3.47Å; Q232-M236 PolarHBondContact O-N 3.41Å; Q232-M236 VanDerWaalsContact O-N 3.17Å; I233-M236 PolarHBondContact O-N 3.44Å; G234-M236 PolarHBondContact O-N 3.42Å; M236-Q239 PolarHBondContact O-N 2.93Å; M236-M240 HydrophobicContact CB-CE 4.14Å; M236-M240 WeakPolarHBondContact O-CE 3.28Å; M236-M240 WeakPolarHBondContact O-CG 3.27Å; M236-M240 PolarHBondContact O-N 3.47Å; M236-V270 HydrophobicContact CB-CG2 3.9Å; M236-V270 HydrophobicContact CG-CG2 3.92Å; M236-M326 HydrophobicContact CB-SD 4.43Å; M236-M326 HydrophobicContact CE-SD 3.77Å; M236-M326 HydrophobicContact SD-SD 4.37Å
237	M	96	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-40.7	176.7	-78.9	-56.2	-61.1	0	0	113.2	I233 G234 D235 Q239 M240 C241 L319 L323 M326 L368 L386	I233-M237 HydrophobicContact CG2-CG 4.49Å; I233-M237 WeakPolarHBondContact O-CB 3.24Å; I233-M237 WeakPolarHBondContact O-CG 3.41Å; I233-M237 PolarHBondContact O-N 3.29Å; G234-M237 PolarHBondContact O-N 3.2Å; D235-M237 VanDerWaalsContact C-N 3.35Å; M237-Q239 VanDerWaalsContact C-N 3.3Å; M237-Q239 PolarHBondContact O-N 2.92Å; M237-M240 HydrophobicContact CG-CE 4.35Å; M237-M240 PolarHBondContact O-N 3.21Å; M237-M240 HydrophobicContact SD-CE 3.55Å; M237-M240 VanDerWaalsContact SD-CE 3.55Å; M237-C241 WeakPolarHBondContact O-CB 3.46Å; M237-C241 PolarHBondContact O-N 2.87Å; M237-C241 PolarHBondContact O-SG 3.47Å; M237-C241 VanDerWaalsContact O-SG 3.35Å; M237-L319 HydrophobicContact CE-CB 4.42Å; M237-L323 HydrophobicContact CE-CB 3.99Å; M237-L323 HydrophobicContact CE-CD2 4.12Å; M237-L323 HydrophobicContact CE-CG 4.45Å; M237-L323 HydrophobicContact CG-CB 4.4Å; M237-L323 HydrophobicContact CG-CD1 3.44Å; M237-L323 VanDerWaalsContact CG-CD1 3.44Å; M237-L323 HydrophobicContact CG-CD2 4.32Å; M237-L323 HydrophobicContact CG-CG 4.23Å; M237-L323 HydrophobicContact SD-CB 3.75Å; M237-L323 HydrophobicContact SD-CD1 3.93Å; M237-L323 HydrophobicContact SD-CD2 4.47Å; M237-L323 HydrophobicContact SD-CG 4.23Å; M237-M326 HydrophobicContact CG-CE 3.61Å; M237-M326 HydrophobicContact SD-CE 3.44Å; M237-M326 WeakPolarHBondContact SD-CE 3.05Å; M237-L368 HydrophobicContact CE-CD1 4.43Å; M237-L386 HydrophobicContact CB-CD1 3.68Å; M237-L386 HydrophobicContact CB-CD2 4.11Å; M237-L386 HydrophobicContact CE-CD1 4.49Å
238	I	95.2	Very high	93.5	Very high	34 Å²	34	34 Å²	34	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-45.1	176.6	-72.6	164.9	0	0	0	109.9	G234 D235 C241 S242 L383 L386 R387	G234-I238 VanDerWaalsContact O-CG1 3.25Å; G234-I238 WeakPolarHBondContact O-CG1 3.48Å; G234-I238 PolarHBondContact O-N 3.31Å; D235-I238 PolarHBondContact O-N 3.38Å; I238-C241 PolarHBondContact O-N 3.08Å; I238-S242 WeakPolarHBondContact O-CB 3.35Å; I238-S242 PolarHBondContact O-N 3.4Å; I238-L383 HydrophobicContact CB-CD2 4.37Å; I238-L383 HydrophobicContact CG2-CD2 3.97Å; I238-L383 VanDerWaalsContact O-CD2 3.29Å; I238-L383 WeakPolarHBondContact O-CD2 3.33Å; I238-L386 HydrophobicContact CD1-CB 4.5Å; I238-L386 HydrophobicContact CG1-CB 3.9Å; I238-R387 HydrophobicContact CD1-CG 4.27Å
239	Q	95	Very high	93.6	Very high	31 Å²	31	40 Å²	40	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-42.9	177.2	-69.6	175.9	62.3	0	0	112.3	N191 D235 M236 M237 S242 A243 V270	N191-Q239 HydrophobicContact CB-CB 4.43Å; N191-Q239 PolarHBondContact ND2-OE1 3.49Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3.12Å; D235-Q239 VanDerWaalsContact O-N 3.12Å; D235-Q239 PolarHBondContact O-NE2 2.78Å; M236-Q239 PolarHBondContact O-N 2.93Å; M237-Q239 VanDerWaalsContact C-N 3.3Å; M237-Q239 PolarHBondContact O-N 2.92Å; Q239-S242 PolarHBondContact O-N 3.31Å; Q239-A243 PolarHBondContact O-N 2.59Å; Q239-A243 VanDerWaalsContact O-N 3.12Å; Q239-V270 HydrophobicContact CB-CB 3.86Å; Q239-V270 HydrophobicContact CB-CG2 4.21Å
240	M	96.4	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-47.7	175.8	-74.3	-172.7	-89.6	0	0	112.2	L217 M236 M237 S242 A243 V244 V262 V270 I272 L319 I322 M326	L217-M240 HydrophobicContact CD2-CE 4.49Å; M236-M240 HydrophobicContact CB-CE 4.14Å; M236-M240 WeakPolarHBondContact O-CE 3.28Å; M236-M240 WeakPolarHBondContact O-CG 3.27Å; M236-M240 PolarHBondContact O-N 3.47Å; M237-M240 HydrophobicContact CG-CE 4.35Å; M237-M240 PolarHBondContact O-N 3.21Å; M237-M240 HydrophobicContact SD-CE 3.55Å; M237-M240 VanDerWaalsContact SD-CE 3.55Å; M240-S242 VanDerWaalsContact C-N 3.3Å; M240-S242 PolarHBondContact O-N 3.33Å; M240-A243 PolarHBondContact O-N 3.43Å; M240-V244 WeakPolarHBondContact O-CG2 3.34Å; M240-V244 PolarHBondContact O-N 3.1Å; M240-V262 HydrophobicContact CG-CG1 4.47Å; M240-V262 HydrophobicContact SD-CG1 4.02Å; M240-V262 HydrophobicContact SD-CG2 3.98Å; M240-V270 HydrophobicContact CG-CG1 3.67Å; M240-I272 HydrophobicContact CB-CD1 4.39Å; M240-I272 HydrophobicContact CG-CD1 4.47Å; M240-L319 HydrophobicContact CB-CD2 4.07Å; M240-L319 HydrophobicContact SD-CD2 4.36Å; M240-I322 HydrophobicContact CE-CG2 4.06Å; M240-I322 HydrophobicContact SD-CG2 4Å; M240-M326 HydrophobicContact CE-CE 3.57Å; M240-M326 HydrophobicContact CE-SD 4.05Å
241	C	96.4	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-32.7	178.7	-67.6	0	0	0	0	112	M237 I238 V244 A245 L383	M237-C241 WeakPolarHBondContact O-CB 3.46Å; M237-C241 PolarHBondContact O-N 2.87Å; M237-C241 PolarHBondContact O-SG 3.47Å; M237-C241 VanDerWaalsContact O-SG 3.35Å; I238-C241 PolarHBondContact O-N 3.08Å; C241-V244 PolarHBondContact O-N 3.5Å; C241-A245 VanDerWaalsContact O-CB 3.24Å; C241-A245 WeakPolarHBondContact O-CB 3.29Å; C241-A245 PolarHBondContact O-N 3.24Å; C241-L383 HydrophobicContact CB-CD1 4.43Å; C241-L383 HydrophobicContact CB-CD2 3.65Å; C241-L383 HydrophobicContact CB-CG 3.62Å
242	S	95.6	Very high	92.8	Very high	40 Å²	40	34.8 Å²	34.8	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-47.9	173.1	-168.7	0	0	0	0	111.7	H189 I238 Q239 M240 A245 Y246	H189-S242 PolarHBondContact NE2-OG 2.62Å; H189-S242 VanDerWaalsContact NE2-OG 3.15Å; I238-S242 WeakPolarHBondContact O-CB 3.35Å; I238-S242 PolarHBondContact O-N 3.4Å; Q239-S242 PolarHBondContact O-N 3.31Å; M240-S242 VanDerWaalsContact C-N 3.3Å; M240-S242 PolarHBondContact O-N 3.33Å; S242-A245 PolarHBondContact O-N 3.4Å; S242-Y246 PolarHBondContact O-N 2.94Å; S242-Y246 VanDerWaalsContact O-N 3.1Å
243	A	94.8	Very high	92.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-45.7	176.5	0	0	0	0	0	112.1	N191 I192 Q239 M240 Y246 L247 I272	N191-A243 HydrophobicContact CB-CB 4.04Å; I192-A243 HydrophobicContact CD1-CB 4.16Å; I192-A243 HydrophobicContact CG1-CB 3.68Å; Q239-A243 PolarHBondContact O-N 2.59Å; Q239-A243 VanDerWaalsContact O-N 3.12Å; M240-A243 PolarHBondContact O-N 3.43Å; A243-Y246 WeakPolarHBondContact O-CB 3.37Å; A243-Y246 PolarHBondContact O-N 3.31Å; A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 2.87Å; A243-I272 HydrophobicContact CB-CB 4.49Å; A243-I272 HydrophobicContact CB-CD1 3.61Å; A243-I272 HydrophobicContact CB-CG1 4.05Å
244	V	95.5	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-37.4	179.7	174.8	0	0	0	0	111.9	M240 C241 Y246 L247 H248 L257 I272 D315 M316 L319 A379	M240-V244 WeakPolarHBondContact O-CG2 3.34Å; M240-V244 PolarHBondContact O-N 3.1Å; C241-V244 PolarHBondContact O-N 3.5Å; V244-Y246 VanDerWaalsContact C-N 3.35Å; V244-Y246 PolarHBondContact O-N 3.02Å; V244-L247 PolarHBondContact O-N 3.42Å; V244-H248 WeakPolarHBondContact CG1-CE1 3.4Å; V244-H248 VanDerWaalsContact O-CG 3.31Å; V244-H248 PolarHBondContact O-N 3.07Å; V244-L257 HydrophobicContact CG2-CD1 3.98Å; V244-I272 HydrophobicContact CG2-CD1 3.82Å; V244-D315 HydrophobicContact CG1-CB 4.42Å; V244-M316 HydrophobicContact CG1-SD 4.14Å; V244-L319 HydrophobicContact CB-CD1 4.21Å; V244-L319 HydrophobicContact CG1-CD1 4.28Å; V244-L319 HydrophobicContact CG2-CD1 4.02Å; V244-L319 HydrophobicContact CG2-CD2 4.44Å; V244-A379 HydrophobicContact CB-CB 4.34Å; V244-A379 HydrophobicContact CG1-CB 4.09Å
245	A	95.4	Very high	91.6	Very high	7 Å²	7	37.7 Å²	37.7	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-47	173.4	0	0	0	0	0	111.5	C241 S242 L247 H248 E249 A379 P380 L383	C241-A245 VanDerWaalsContact O-CB 3.24Å; C241-A245 WeakPolarHBondContact O-CB 3.29Å; C241-A245 PolarHBondContact O-N 3.24Å; S242-A245 PolarHBondContact O-N 3.4Å; A245-L247 VanDerWaalsContact C-N 3.32Å; A245-L247 PolarHBondContact O-N 3.39Å; A245-H248 PolarHBondContact O-N 2.96Å; A245-E249 WeakPolarHBondContact O-CB 3.44Å; A245-E249 WeakPolarHBondContact O-CG 3.5Å; A245-E249 PolarHBondContact O-N 3.49Å; A245-A379 HydrophobicContact CB-CB 3.73Å; A245-P380 HydrophobicContact CB-CG 4.08Å; A245-L383 HydrophobicContact CB-CD1 4.47Å
246	Y	94.4	Very high	91.2	Very high	50 Å²	50	35 Å²	35	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-42.3	176	173.3	-90.3	0	0	0	112.4	I187 E188 H189 I192 S242 A243 V244 N250	I187-Y246 HydrophobicContact CB-CE1 4.5Å; I187-Y246 HydrophobicContact CG2-CE1 4Å; E188-Y246 PolarHBondContact N-OH 3.26Å; E188-Y246 VanDerWaalsContact O-CZ 3.3Å; E188-Y246 PolarHBondContact O-OH 2.89Å; H189-Y246 HydrophobicContact CB-CD1 3.97Å; H189-Y246 HydrophobicContact CB-CE1 4.25Å; H189-Y246 HydrophobicContact CB-CG 4.13Å; H189-Y246 AromaticContact CD2-CG 3.87Å; I192-Y246 HydrophobicContact CD1-CD1 3.94Å; I192-Y246 HydrophobicContact CD1-CE1 4.49Å; S242-Y246 PolarHBondContact O-N 2.94Å; S242-Y246 VanDerWaalsContact O-N 3.1Å; A243-Y246 WeakPolarHBondContact O-CB 3.37Å; A243-Y246 PolarHBondContact O-N 3.31Å; V244-Y246 VanDerWaalsContact C-N 3.35Å; V244-Y246 PolarHBondContact O-N 3.02Å; Y246-N250 PolarHBondContact O-N 3.02Å; Y246-N250 PolarHBondContact O-ND2 3.29Å
247	L	90.8	Very high	91	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-48.6	177.6	-68.6	170.4	0	0	0	111.8	I187 I192 A243 V244 A245 E249 N250 S251 V252 H254 F275	I187-L247 HydrophobicContact CD1-CD2 3.66Å; I187-L247 HydrophobicContact CG1-CD2 4.48Å; I187-L247 HydrophobicContact CG2-CD2 4.45Å; I192-L247 HydrophobicContact CD1-CD1 4.21Å; I192-L247 HydrophobicContact CD1-CD2 3.81Å; I192-L247 HydrophobicContact CD1-CG 3.83Å; A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 2.87Å; V244-L247 PolarHBondContact O-N 3.42Å; A245-L247 VanDerWaalsContact C-N 3.32Å; A245-L247 PolarHBondContact O-N 3.39Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 2.87Å; L247-N250 CarbonylContact O-C 3.57Å; L247-N250 PolarHBondContact O-N 3.45Å; L247-N250 VanDerWaalsContact O-N 3.12Å; L247-S251 PolarHBondContact O-N 3Å; L247-V252 CarbonylContact C-O 3.48Å; L247-V252 VanDerWaalsContact C-O 3.25Å; L247-V252 HydrophobicContact CB-CB 4.4Å; L247-V252 HydrophobicContact CD2-CB 4.24Å; L247-V252 HydrophobicContact CD2-CG1 4.1Å; L247-V252 PolarHBondContact O-N 3.12Å; L247-V252 VanDerWaalsContact O-O 3.12Å; L247-H254 HydrophobicContact CD1-CB 4.44Å; L247-F275 HydrophobicContact CD1-CE1 3.58Å; L247-F275 HydrophobicContact CD1-CZ 4.34Å; L247-F275 HydrophobicContact CD2-CE1 3.44Å; L247-F275 VanDerWaalsContact CD2-CE1 3.44Å; L247-F275 HydrophobicContact CD2-CZ 3.91Å; L247-F275 HydrophobicContact CG-CE1 4.14Å
248	H	91.7	Very high	90.8	Very high	37 Å²	37	37.1 Å²	37.1	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-38.3	-179.5	-67	176	0	0	0	111.9	V244 A245 N250 S251 V252 E312 D315	V244-H248 WeakPolarHBondContact CG1-CE1 3.4Å; V244-H248 VanDerWaalsContact O-CG 3.31Å; V244-H248 PolarHBondContact O-N 3.07Å; A245-H248 PolarHBondContact O-N 2.96Å; H248-N250 VanDerWaalsContact C-N 3.27Å; H248-N250 PolarHBondContact O-N 3.36Å; H248-S251 PolarHBondContact O-N 2.95Å; H248-V252 PolarHBondContact CD2-O 2.88Å; H248-E312 PolarHBondContact CE1-O 3.19Å; H248-E312 VanDerWaalsContact CE1-O 3.24Å; H248-D315 IonicContact CD2-OD2 3.93Å; H248-D315 IonicContact CE1-OD2 3.41Å; H248-D315 IonicContact NE2-OD2 2.8Å; H248-D315 PolarHBondContact NE2-OD2 3.44Å
249	E	90.2	Very high	90.7	Very high	142 Å²	142	35.6 Å²	35.6	66%	0.664	18%	0.184	S	C	*	.	H	α-helix	trans	-61.8	-33.9	173.8	-76.6	174.3	-172.7	0	0	112.6	A245 L247 S251	A245-E249 WeakPolarHBondContact O-CB 3.44Å; A245-E249 WeakPolarHBondContact O-CG 3.5Å; A245-E249 PolarHBondContact O-N 3.49Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 2.87Å; E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.05Å
250	N	85.7	Confident	90.4	Very high	84 Å²	84	36.1 Å²	36.1	45%	0.449	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	13.6	174.6	-72.4	-81.2	0	0	0	113.3	Y246 L247 H248 V252	Y246-N250 PolarHBondContact O-N 3.02Å; Y246-N250 PolarHBondContact O-ND2 3.29Å; L247-N250 CarbonylContact O-C 3.57Å; L247-N250 PolarHBondContact O-N 3.45Å; L247-N250 VanDerWaalsContact O-N 3.12Å; H248-N250 VanDerWaalsContact C-N 3.27Å; H248-N250 PolarHBondContact O-N 3.36Å; N250-V252 HydrophobicContact CB-CG2 4.41Å; N250-V252 PolarHBondContact O-N 3.13Å
251	S	84.5	Confident	90.2	Very high	115 Å²	115	36.6 Å²	36.6	80%	0.804	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	30.9	-178.3	-56.3	0	0	0	0	114	L247 H248 E249	L247-S251 PolarHBondContact O-N 3Å; H248-S251 PolarHBondContact O-N 2.95Å; E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.05Å
252	V	84.3	Confident	90.1	Very high	17 Å²	17	36.6 Å²	36.6	10%	0.103	20%	0.196	C	C	.	.			trans	-107.3	131.5	176.3	-177.7	0	0	0	0	109.5	L183 I187 L247 H248 N250	L183-V252 HydrophobicContact CD1-CG1 4.28Å; L183-V252 HydrophobicContact CD1-CG2 4.28Å; L183-V252 HydrophobicContact CD2-CG1 4.07Å; L183-V252 HydrophobicContact CD2-CG2 4.26Å; L183-V252 HydrophobicContact CG-CG2 4.4Å; I187-V252 HydrophobicContact CD1-CG1 4.32Å; L247-V252 CarbonylContact C-O 3.48Å; L247-V252 VanDerWaalsContact C-O 3.25Å; L247-V252 HydrophobicContact CB-CB 4.4Å; L247-V252 HydrophobicContact CD2-CB 4.24Å; L247-V252 HydrophobicContact CD2-CG1 4.1Å; L247-V252 PolarHBondContact O-N 3.12Å; L247-V252 VanDerWaalsContact O-O 3.12Å; H248-V252 PolarHBondContact CD2-O 2.88Å; N250-V252 HydrophobicContact CB-CG2 4.41Å; N250-V252 PolarHBondContact O-N 3.13Å
253	L	84.3	Confident	90	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.204	20%	0.195	C	C	.	.			trans	-105.1	138.7	173.5	-59.8	178.3	0	0	0	109.3	R255 Y310 E312	L253-R255 HydrophobicContact CB-CG 3.99Å; L253-Y310 HydrophobicContact CB-CD1 4.46Å; L253-Y310 HydrophobicContact CB-CE1 4.33Å; L253-Y310 HydrophobicContact CD1-CD1 4.04Å; L253-E312 HydrophobicContact CD2-CB 3.85Å
254	H	87.2	Confident	89.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.			trans	-77.4	-41.9	-178	-175.1	-77.5	0	0	0	112.1	L247 D256 L257 G273 D274 F275 G276 D315	L247-H254 HydrophobicContact CD1-CB 4.44Å; H254-D256 VanDerWaalsContact CE1-C 3.48Å; H254-D256 PolarHBondContact CE1-O 3.07Å; H254-D256 VanDerWaalsContact ND1-C 3.28Å; H254-D256 PolarHBondContact ND1-N 2.93Å; H254-D256 PolarHBondContact O-N 3.41Å; H254-L257 HydrophobicContact CB-CD1 4.31Å; H254-L257 HydrophobicContact CB-CD2 4.21Å; H254-L257 HydrophobicContact CB-CG 3.86Å; H254-L257 WeakPolarHBondContact ND1-CG 3.25Å; H254-L257 PolarHBondContact ND1-N 3.31Å; H254-L257 VanDerWaalsContact ND1-N 3.19Å; H254-G273 PolarHBondContact NE2-O 3.19Å; H254-D274 PolarHBondContact CE1-O 3.31Å; H254-F275 AromaticContact CD2-CD1 3.67Å; H254-F275 AromaticContact CD2-CE1 3.9Å; H254-G276 PolarHBondContact O-N 2.64Å; H254-D315 WeakPolarHBondContact CB-OD1 3.07Å; H254-D315 PolarHBondContact N-OD1 3.39Å; H254-D315 PolarHBondContact N-OD2 2.74Å
255	R	83.6	Confident	89.6	Confident	101 Å²	101	39 Å²	39	38%	0.381	20%	0.204	S	C	.	.	S	Bend	trans	69	-16.6	173.8	-56	-178.6	175.1	-166.2	-2.3	117.4	L253 Y310 D315	L253-R255 HydrophobicContact CB-CG 3.99Å; R255-Y310 HydrophobicContact CB-CE1 4.29Å; R255-Y310 HydrophobicContact CG-CD1 3.81Å; R255-Y310 HydrophobicContact CG-CE1 3.81Å; R255-Y310 HydrophobicContact CG-CG 4.35Å; R255-D315 PolarHBondContact N-OD1 3.21Å
256	D	83.8	Confident	88.8	Confident	29 Å²	29	48 Å²	48	16%	0.155	24%	0.237	C	C	.	.			trans	-134.3	40.7	178.4	-162.8	19.5	0	0	0	112.3	H254 K258 N261 K279	H254-D256 VanDerWaalsContact CE1-C 3.48Å; H254-D256 PolarHBondContact CE1-O 3.07Å; H254-D256 VanDerWaalsContact ND1-C 3.28Å; H254-D256 PolarHBondContact ND1-N 2.93Å; H254-D256 PolarHBondContact O-N 3.41Å; D256-K258 PolarHBondContact O-N 3.44Å; D256-K258 IonicContact OD1-NZ 2.82Å; D256-K258 PolarHBondContact OD1-NZ 3.17Å; D256-K258 IonicContact OD2-NZ 3.03Å; D256-K258 PolarHBondContact OD2-NZ 3.15Å; D256-N261 PolarHBondContact O-ND2 2.92Å; D256-N261 PolarHBondContact OD2-ND2 2.84Å; D256-K279 IonicContact OD2-NZ 3.68Å; D256-K279 PolarHBondContact OD2-NZ 3.4Å
257	L	90.9	Very high	88	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	26%	0.26	C	S	.	.			trans	-68	122.2	176.1	-77.7	174.9	0	0	0	110.3	V244 H254 I272 D315 A318 L319 I322	V244-L257 HydrophobicContact CG2-CD1 3.98Å; H254-L257 HydrophobicContact CB-CD1 4.31Å; H254-L257 HydrophobicContact CB-CD2 4.21Å; H254-L257 HydrophobicContact CB-CG 3.86Å; H254-L257 WeakPolarHBondContact ND1-CG 3.25Å; H254-L257 PolarHBondContact ND1-N 3.31Å; H254-L257 VanDerWaalsContact ND1-N 3.19Å; L257-I272 HydrophobicContact CD2-CD1 4.29Å; L257-I272 HydrophobicContact CD2-CG2 4.1Å; L257-D315 HydrophobicContact CD1-CB 3.8Å; L257-A318 HydrophobicContact CB-CB 3.66Å; L257-L319 HydrophobicContact CD1-CD2 4.21Å; L257-L319 HydrophobicContact CD1-CG 4.09Å; L257-I322 HydrophobicContact CB-CD1 4.42Å
258	K	90.9	Very high	87	Confident	47 Å²	47	55.4 Å²	55.4	20%	0.204	29%	0.285	C	S	.	.	S	Bend	trans	-162.6	161.8	177.5	59.9	-169.5	174	-146.9	0	109.7	D256 A260 N261 V262 Y299	D256-K258 PolarHBondContact O-N 3.44Å; D256-K258 IonicContact OD1-NZ 2.82Å; D256-K258 PolarHBondContact OD1-NZ 3.17Å; D256-K258 IonicContact OD2-NZ 3.03Å; D256-K258 PolarHBondContact OD2-NZ 3.15Å; K258-A260 HydrophobicContact CD-CB 4.35Å; K258-A260 HydrophobicContact CG-CB 4.17Å; K258-A260 PolarHBondContact O-N 3.44Å; K258-N261 VanDerWaalsContact CE-CG 3.45Å; K258-N261 WeakPolarHBondContact CE-OD1 3.46Å; K258-N261 HydrophobicContact CG-CB 4.09Å; K258-N261 PolarHBondContact O-N 2.91Å; K258-V262 PolarHBondContact O-N 3.23Å; K258-Y299 HydrophobicContact CB-CD1 4.36Å; K258-Y299 HydrophobicContact CB-CD2 3.48Å; K258-Y299 VanDerWaalsContact CB-CD2 3.48Å; K258-Y299 HydrophobicContact CB-CE1 4.38Å; K258-Y299 HydrophobicContact CB-CE2 3.48Å; K258-Y299 VanDerWaalsContact CB-CE2 3.48Å; K258-Y299 HydrophobicContact CB-CG 3.95Å
259	T	92.8	Very high	86.8	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.8	-179.3	56.6	0	0	0	0	114	L217 A218 L221 Y299 I322 E325	L217-T259 WeakPolarHBondContact CB-O 3.4Å; L217-T259 HydrophobicContact CD2-CG2 4.01Å; L217-T259 HydrophobicContact CG-CG2 4.23Å; L217-T259 PolarHBondContact N-O 3.03Å; A218-T259 PolarHBondContact N-O 3.27Å; L221-T259 HydrophobicContact CD1-CG2 3.93Å; T259-Y299 HydrophobicContact CG2-CE1 4.44Å; T259-Y299 PolarHBondContact OG1-OH 3.32Å; T259-I322 HydrophobicContact CG2-CB 4.47Å; T259-I322 HydrophobicContact CG2-CG1 4.09Å; T259-I322 HydrophobicContact CG2-CG2 4.14Å; T259-E325 WeakPolarHBondContact CG2-OE2 3.35Å; T259-E325 PolarHBondContact OG1-OE1 3.14Å
260	A	89.4	Confident	87	Confident	42 Å²	42	52.1 Å²	52.1	35%	0.347	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.9	174.4	0	0	0	0	0	114.3	T216 A218 K258	T216-A260 WeakPolarHBondContact CG2-O 3.33Å; A218-A260 HydrophobicContact CB-CB 4.4Å; K258-A260 HydrophobicContact CD-CB 4.35Å; K258-A260 HydrophobicContact CG-CB 4.17Å; K258-A260 PolarHBondContact O-N 3.44Å
261	N	91.6	Very high	87.4	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.053	25%	0.252	C	S	.	.	S	Bend	trans	-103.9	6.8	-179.5	-72.4	20.7	0	0	0	112.1	D256 K258 G273 D274	D256-N261 PolarHBondContact O-ND2 2.92Å; D256-N261 PolarHBondContact OD2-ND2 2.84Å; K258-N261 VanDerWaalsContact CE-CG 3.45Å; K258-N261 WeakPolarHBondContact CE-OD1 3.46Å; K258-N261 HydrophobicContact CG-CB 4.09Å; K258-N261 PolarHBondContact O-N 2.91Å; N261-G273 WeakPolarHBondContact CB-O 2.92Å; N261-G273 PolarHBondContact O-N 3.41Å; N261-G273 VanDerWaalsContact O-N 3.07Å; N261-D274 PolarHBondContact ND2-O 2.98Å; N261-D274 PolarHBondContact ND2-OD2 3.05Å
262	V	94.8	Very high	87.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.4	170.3	-179.2	0	0	0	0	107.4	T216 L217 M240 K258 V270 I322	T216-V262 CarbonylContact C-O 3.5Å; T216-V262 WeakPolarHBondContact CA-O 3.49Å; L217-V262 HydrophobicContact CB-CB 3.93Å; L217-V262 HydrophobicContact CB-CG1 4.01Å; L217-V262 HydrophobicContact CD2-CB 4.21Å; L217-V262 HydrophobicContact CD2-CG1 4.04Å; L217-V262 PolarHBondContact N-O 3.49Å; M240-V262 HydrophobicContact CG-CG1 4.47Å; M240-V262 HydrophobicContact SD-CG1 4.02Å; M240-V262 HydrophobicContact SD-CG2 3.98Å; K258-V262 PolarHBondContact O-N 3.23Å; V262-V270 HydrophobicContact CG1-CG1 3.7Å; V262-I322 HydrophobicContact CG2-CD1 4.31Å
263	F	94.2	Very high	87.9	Confident	56 Å²	56	43 Å²	43	25%	0.246	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	153.2	179.5	-56.6	-89	0	0	0	110.8	I193 A212 G215 T216 K271	I193-F263 HydrophobicContact CD1-CB 4.39Å; I193-F263 HydrophobicContact CD1-CD2 4.21Å; I193-F263 HydrophobicContact CD1-CG 4.42Å; I193-F263 HydrophobicContact CG1-CD2 4.03Å; A212-F263 HydrophobicContact CB-CB 3.62Å; A212-F263 HydrophobicContact CB-CG 4.38Å; G215-F263 WeakPolarHBondContact O-CA 3.4Å; T216-F263 HydrophobicContact CG2-CD1 3.8Å; T216-F263 HydrophobicContact CG2-CE1 3.77Å; F263-K271 WeakPolarHBondContact CA-O 3.47Å; F263-K271 HydrophobicContact CB-CB 4.15Å; F263-K271 WeakPolarHBondContact CB-O 3.38Å; F263-K271 PolarHBondContact N-O 3.2Å; F263-K271 PolarHBondContact O-N 2.94Å
264	L	92.8	Very high	87.6	Confident	13 Å²	13	44 Å²	44	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.9	178.3	-58.9	174.1	0	0	0	109.3	G214 G215 M220 F269 V270	G214-L264 CarbonylContact C-O 3.59Å; G214-L264 WeakPolarHBondContact CA-O 3.47Å; G214-L264 PolarHBondContact N-O 3.17Å; G215-L264 PolarHBondContact O-N 3.12Å; M220-L264 HydrophobicContact CB-CD1 4.01Å; M220-L264 HydrophobicContact CG-CD1 4.3Å; M220-L264 HydrophobicContact SD-CD1 3.54Å; M220-L264 VanDerWaalsContact SD-CD1 3.54Å; L264-F269 CarbonylContact C-O 3.47Å; L264-F269 WeakPolarHBondContact CA-O 3.43Å; L264-V270 HydrophobicContact CD2-CG2 4.06Å
265	T	88.5	Confident	86.9	Confident	22 Å²	22	44.3 Å²	44.3	14%	0.135	22%	0.216	C	C	.	.			trans	-92.2	166.8	165	69.3	0	0	0	0	110.1	D213 D267 S268 F269 K271	D213-T265 WeakPolarHBondContact OD1-CA 3.34Å; T265-D267 PolarHBondContact O-N 3.32Å; T265-D267 PolarHBondContact OG1-N 3.24Å; T265-S268 PolarHBondContact O-N 2.97Å; T265-F269 HydrophobicContact CG2-CB 4.33Å; T265-F269 PolarHBondContact N-O 2.64Å; T265-F269 WeakPolarHBondContact OG1-CB 3.42Å; T265-F269 PolarHBondContact OG1-N 3.37Å; T265-K271 HydrophobicContact CG2-CG 4.22Å
266	R	78.9	Confident	85.8	Confident	196 Å²	196	39.5 Å²	39.5	74%	0.74	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.7	172.7	-76.6	177.5	-170	-178	4.7	113.8	D213 S268	D213-R266 PolarHBondContact OD1-N 2.83Å; D213-R266 WeakPolarHBondContact OD2-CD 3.41Å; D213-R266 VanDerWaalsContact OD2-CG 3.26Å; D213-R266 WeakPolarHBondContact OD2-CG 3.49Å; D213-R266 IonicContact OD2-CZ 3.65Å; D213-R266 IonicContact OD2-NE 2.75Å; D213-R266 PolarHBondContact OD2-NE 3.41Å; R266-S268 PolarHBondContact O-N 3.39Å
267	D	77.3	Confident	84.5	Confident	130 Å²	130	39.3 Å²	39.3	70%	0.695	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	13.5	176.5	-57.6	-39.8	0	0	0	112.8	T265 F269	T265-D267 PolarHBondContact O-N 3.32Å; T265-D267 PolarHBondContact OG1-N 3.24Å; D267-F269 VanDerWaalsContact C-N 3.25Å; D267-F269 HydrophobicContact CB-CD2 3.85Å; D267-F269 HydrophobicContact CB-CE2 4.09Å; D267-F269 PolarHBondContact O-N 3.39Å
268	S	70.1	Confident	82.4	Confident	75 Å²	75	39.9 Å²	39.9	52%	0.524	20%	0.201	S	C	.	.			trans	62.5	23.2	179.2	-54.3	0	0	0	0	115.2	T265 R266	T265-S268 PolarHBondContact O-N 2.97Å; R266-S268 PolarHBondContact O-N 3.39Å
269	F	86.9	Confident	80.5	Confident	110 Å²	110	41.5 Å²	41.5	48%	0.482	21%	0.209	S	C	.	.			trans	-79	141	169.5	-74.2	-80.8	0	0	0	111.2	L264 T265 D267	L264-F269 CarbonylContact C-O 3.47Å; L264-F269 WeakPolarHBondContact CA-O 3.43Å; T265-F269 HydrophobicContact CG2-CB 4.33Å; T265-F269 PolarHBondContact N-O 2.64Å; T265-F269 WeakPolarHBondContact OG1-CB 3.42Å; T265-F269 PolarHBondContact OG1-N 3.37Å; D267-F269 VanDerWaalsContact C-N 3.25Å; D267-F269 HydrophobicContact CB-CD2 3.85Å; D267-F269 HydrophobicContact CB-CE2 4.09Å; D267-F269 PolarHBondContact O-N 3.39Å
270	V	94.5	Very high	78.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.7	177.3	175	0	0	0	0	110.6	N191 M236 Q239 M240 V262 L264	N191-V270 VanDerWaalsContact CA-O 3.25Å; N191-V270 WeakPolarHBondContact CA-O 3.5Å; N191-V270 WeakPolarHBondContact CB-O 3.4Å; N191-V270 PolarHBondContact ND2-O 3.19Å; M236-V270 HydrophobicContact CB-CG2 3.9Å; M236-V270 HydrophobicContact CG-CG2 3.92Å; Q239-V270 HydrophobicContact CB-CB 3.86Å; Q239-V270 HydrophobicContact CB-CG2 4.21Å; M240-V270 HydrophobicContact CG-CG1 3.67Å; V262-V270 HydrophobicContact CG1-CG1 3.7Å; L264-V270 HydrophobicContact CD2-CG2 4.06Å
271	K	93.8	Very high	75.6	Confident	24 Å²	24	50.5 Å²	50.5	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.4	172.3	-66.9	-74.8	-172.3	162.5	0	109.7	P190 N191 I193 E210 F263 T265	P190-K271 WeakPolarHBondContact O-CD 3.45Å; P190-K271 WeakPolarHBondContact O-CE 3.28Å; P190-K271 PolarHBondContact O-NZ 2.79Å; N191-K271 WeakPolarHBondContact O-CA 3.43Å; I193-K271 HydrophobicContact CD1-CB 3.59Å; I193-K271 HydrophobicContact CD1-CG 4.21Å; I193-K271 HydrophobicContact CG1-CB 4.1Å; E210-K271 WeakPolarHBondContact OE1-CE 3.47Å; E210-K271 IonicContact OE1-NZ 3.94Å; E210-K271 PolarHBondContact OE1-NZ 2.81Å; E210-K271 WeakPolarHBondContact OE2-CE 3.22Å; E210-K271 IonicContact OE2-NZ 3.31Å; E210-K271 PolarHBondContact OE2-NZ 3.35Å; F263-K271 WeakPolarHBondContact CA-O 3.47Å; F263-K271 HydrophobicContact CB-CB 4.15Å; F263-K271 WeakPolarHBondContact CB-O 3.38Å; F263-K271 PolarHBondContact N-O 3.2Å; F263-K271 PolarHBondContact O-N 2.94Å; T265-K271 HydrophobicContact CG2-CG 4.22Å
272	I	93.3	Very high	72.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.6	171.8	-60.3	-169.7	0	0	0	108.9	N191 I192 I193 M240 A243 V244 L257	N191-I272 PolarHBondContact O-N 2.83Å; I192-I272 CarbonylContact C-O 3.57Å; I192-I272 WeakPolarHBondContact CA-O 3.49Å; I193-I272 PolarHBondContact N-O 2.97Å; M240-I272 HydrophobicContact CB-CD1 4.39Å; M240-I272 HydrophobicContact CG-CD1 4.47Å; A243-I272 HydrophobicContact CB-CB 4.49Å; A243-I272 HydrophobicContact CB-CD1 3.61Å; A243-I272 HydrophobicContact CB-CG1 4.05Å; V244-I272 HydrophobicContact CG2-CD1 3.82Å; L257-I272 HydrophobicContact CD2-CD1 4.29Å; L257-I272 HydrophobicContact CD2-CG2 4.1Å
273	G	87.4	Confident	70	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.299	C	S	.	.			trans	-146.3	179.3	177.1	0	0	0	0	0	113.2	H254 N261	H254-G273 PolarHBondContact NE2-O 3.19Å; N261-G273 WeakPolarHBondContact CB-O 2.92Å; N261-G273 PolarHBondContact O-N 3.41Å; N261-G273 VanDerWaalsContact O-N 3.07Å
274	D	77.9	Confident	67.1	Low	62 Å²	62	61.7 Å²	61.7	33%	0.332	32%	0.318	S	S	.	.			trans	56.7	67.7	-179.1	-163.8	38.7	0	0	0	113.6	K162 H254 N261	K162-D274 IonicContact NZ-OD1 3.57Å; H254-D274 PolarHBondContact CE1-O 3.31Å; N261-D274 PolarHBondContact ND2-O 2.98Å; N261-D274 PolarHBondContact ND2-OD2 3.05Å
275	F	71.4	Confident	64.4	Low	5 Å²	5	65.6 Å²	65.6	2%	0.022	34%	0.343	C	S	.	.			trans	-63.8	131.2	175	-63.7	-89.7	0	0	0	111.3	L184 I187 I192 L247 H254 I277	L184-F275 HydrophobicContact CD2-CD2 3.5Å; L184-F275 HydrophobicContact CD2-CE2 3.73Å; L184-F275 HydrophobicContact CD2-CG 4.49Å; I187-F275 HydrophobicContact CD1-CE1 4.22Å; I187-F275 HydrophobicContact CD1-CZ 4.07Å; I187-F275 HydrophobicContact CG2-CZ 4.44Å; I192-F275 HydrophobicContact CD1-CZ 4.49Å; I192-F275 HydrophobicContact CG2-CE2 3.92Å; I192-F275 HydrophobicContact CG2-CZ 3.6Å; L247-F275 HydrophobicContact CD1-CE1 3.58Å; L247-F275 HydrophobicContact CD1-CZ 4.34Å; L247-F275 HydrophobicContact CD2-CE1 3.44Å; L247-F275 VanDerWaalsContact CD2-CE1 3.44Å; L247-F275 HydrophobicContact CD2-CZ 3.91Å; L247-F275 HydrophobicContact CG-CE1 4.14Å; H254-F275 AromaticContact CD2-CD1 3.67Å; H254-F275 AromaticContact CD2-CE1 3.9Å; F275-I277 HydrophobicContact CB-CD1 3.47Å; F275-I277 VanDerWaalsContact CB-CD1 3.47Å; F275-I277 HydrophobicContact CB-CG1 3.75Å; F275-I277 HydrophobicContact CG-CD1 4.05Å; F275-I277 PolarHBondContact O-N 3.1Å
276	G	60.8	Low	62.1	Low	1 Å²	1	70.8 Å²	70.8	1%	0.01	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-73.6	30.2	176.8	0	0	0	0	0	114.7	H254 S278 K279	H254-G276 PolarHBondContact O-N 2.64Å; G276-S278 VanDerWaalsContact C-N 3.32Å; G276-S278 PolarHBondContact O-N 3.2Å; G276-K279 PolarHBondContact O-N 3.36Å; G276-K279 VanDerWaalsContact O-N 3.08Å
277	I	55.6	Low	59.8	Low	24 Å²	24	65.5 Å²	65.5	12%	0.123	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-62.2	-40	-174.3	-65.1	155.6	0	0	0	111	E180 L183 F275 K279	E180-I277 HydrophobicContact CB-CG2 4.38Å; E180-I277 HydrophobicContact CG-CB 4.43Å; E180-I277 HydrophobicContact CG-CD1 4.36Å; L183-I277 HydrophobicContact CB-CD1 4.3Å; L183-I277 HydrophobicContact CD1-CD1 3.79Å; L183-I277 HydrophobicContact CD1-CG1 4.08Å; L183-I277 HydrophobicContact CD1-CG2 4.34Å; L183-I277 HydrophobicContact CD2-CD1 3.51Å; L183-I277 HydrophobicContact CG-CD1 4.06Å; F275-I277 HydrophobicContact CB-CD1 3.47Å; F275-I277 VanDerWaalsContact CB-CD1 3.47Å; F275-I277 HydrophobicContact CB-CG1 3.75Å; F275-I277 HydrophobicContact CG-CD1 4.05Å; F275-I277 PolarHBondContact O-N 3.1Å; I277-K279 VanDerWaalsContact C-N 3.32Å
278	S	48.3	Very low	57.5	Low	18 Å²	18	65.7 Å²	65.7	13%	0.126	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-79.8	-9.2	177.1	42.3	0	0	0	0	114	E180 G276 I280	E180-S278 WeakPolarHBondContact OE2-CB 3.47Å; E180-S278 PolarHBondContact OE2-OG 3.37Å; G276-S278 VanDerWaalsContact C-N 3.32Å; G276-S278 PolarHBondContact O-N 3.2Å; S278-I280 VanDerWaalsContact C-N 3.33Å; S278-I280 PolarHBondContact O-N 3.36Å
279	K	50.7	Low	55.8	Low	81 Å²	81	66.4 Å²	66.4	35%	0.352	38%	0.383	S	S	.	.			trans	-93.6	47.7	177.9	-65.1	-178.7	-177.8	174.5	0	111.7	D256 G276 I277 M281	D256-K279 IonicContact OD2-NZ 3.68Å; D256-K279 PolarHBondContact OD2-NZ 3.4Å; G276-K279 PolarHBondContact O-N 3.36Å; G276-K279 VanDerWaalsContact O-N 3.08Å; I277-K279 VanDerWaalsContact C-N 3.32Å; K279-M281 PolarHBondContact O-N 3Å
280	I	41.8	Very low	52.9	Low	102 Å²	102	64.3 Å²	64.3	52%	0.523	39%	0.386	S	S	.	.			trans	-62.7	87.9	166.9	-54.9	-176.1	0	0	0	106.5	L176 S278 G282	L176-I280 HydrophobicContact CD2-CD1 3.56Å; L176-I280 HydrophobicContact CD2-CG1 4.11Å; S278-I280 VanDerWaalsContact C-N 3.33Å; S278-I280 PolarHBondContact O-N 3.36Å; I280-G282 PolarHBondContact O-N 3.45Å
281	M	37.3	Very low	49.8	Very low	132 Å²	132	74.4 Å²	74.4	65%	0.65	43%	0.43	S	S	*	.			trans	-65.7	90.5	167.5	-75.2	-172.9	169.8	0	0	104.5	K279	K279-M281 PolarHBondContact O-N 3Å
282	G	34.4	Very low	46.8	Very low	37 Å²	37	79 Å²	79	38%	0.381	46%	0.46	S	S	.	.			trans	-48	144.7	149.1	0	0	0	0	0	107.1	I280 E284 T285	I280-G282 PolarHBondContact O-N 3.45Å; G282-E284 PolarHBondContact O-N 3.41Å; G282-T285 PolarHBondContact O-N 3.4Å
283	T	33.5	Very low	43.8	Very low	123 Å²	123	86.2 Å²	86.2	76%	0.755	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	5.9	175.2	40.9	0	0	0	0	115.3
284	E	33.6	Very low	41.4	Very low	141 Å²	141	92.5 Å²	92.5	66%	0.659	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-24.7	-176.4	-61.5	-174.2	167.3	0	0	113.7	G282 L286 A287 Q288	G282-E284 PolarHBondContact O-N 3.41Å; E284-L286 PolarHBondContact O-N 2.89Å; E284-A287 PolarHBondContact O-N 3.24Å; E284-Q288 PolarHBondContact O-N 3.36Å
285	T	35.8	Very low	40.2	Very low	95 Å²	95	92.9 Å²	92.9	58%	0.583	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-18.2	-176.7	-25.1	0	0	0	0	114	G282	G282-T285 PolarHBondContact O-N 3.4Å
286	L	40.5	Very low	39.6	Very low	130 Å²	130	95.2 Å²	95.2	68%	0.681	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-27.3	171.4	-81.1	158.9	0	0	0	112.1	E284	E284-L286 PolarHBondContact O-N 2.89Å
287	A	31.4	Very low	40.4	Very low	85 Å²	85	97.9 Å²	97.9	70%	0.702	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-25.5	-174.4	0	0	0	0	0	113.6	E284	E284-A287 PolarHBondContact O-N 3.24Å
288	Q	28	Very low	41.9	Very low	135 Å²	135	100 Å²	100	63%	0.631	60%	0.599	S	S	*	*	S	Bend	trans	-96.5	100.9	171.8	-66.8	-175.7	9.6	0	0	109	E284 A290	E284-Q288 PolarHBondContact O-N 3.36Å; Q288-A290 PolarHBondContact O-N 3.05Å
289	G	35.5	Very low	43.9	Very low	89 Å²	89	100.8 Å²	100.8	92%	0.918	60%	0.599	S	S	*	*			trans	-55.5	86.6	161.1	0	0	0	0	0	109.8
290	A	26.4	Very low	45.7	Very low	67 Å²	67	98.5 Å²	98.5	55%	0.554	59%	0.591	S	S	*	*			trans	-115.2	97.9	-174.7	0	0	0	0	0	108.9	Q288 T292	Q288-A290 PolarHBondContact O-N 3.05Å; A290-T292 VanDerWaalsContact C-N 3.3Å; A290-T292 PolarHBondContact O-N 3.37Å
291	K	27.5	Very low	48	Very low	212 Å²	212	93.7 Å²	93.7	92%	0.922	57%	0.566	S	S	*	*			trans	-4.7	74.7	141.2	-65.6	174.2	173.9	176.5	0	116
292	T	32	Very low	50.4	Low	119 Å²	119	87.7 Å²	87.7	73%	0.73	54%	0.537	S	S	*	.			trans	-157.2	104.4	145.6	34.2	0	0	0	0	106.8	A290 V294	A290-T292 VanDerWaalsContact C-N 3.3Å; A290-T292 PolarHBondContact O-N 3.37Å; T292-V294 PolarHBondContact O-N 2.81Å
293	V	30.3	Very low	52.9	Low	153 Å²	153	86.5 Å²	86.5	93%	0.927	52%	0.522	S	S	*	.			trans	-65.7	96.6	174	176.8	0	0	0	0	107.9
294	V	37.6	Very low	55.2	Low	132 Å²	132	82.8 Å²	82.8	80%	0.8	50%	0.496	S	S	*	.			trans	-132	79.7	165.6	-170.8	0	0	0	0	108.5	T292	T292-V294 PolarHBondContact O-N 2.81Å
295	G	51.2	Low	57.4	Low	69 Å²	69	77.6 Å²	77.6	71%	0.711	48%	0.475	S	S	*	.			trans	78	143.8	164	0	0	0	0	0	116.6
296	T	59	Low	59.2	Low	55 Å²	55	76.3 Å²	76.3	34%	0.337	47%	0.47	S	S	.	.			trans	-77.9	128.6	170.6	-60.4	0	0	0	0	109.1	Y298 L341	T296-Y298 HydrophobicContact CG2-CD1 4.07Å; T296-Y298 HydrophobicContact CG2-CE1 3.59Å; T296-Y298 HydrophobicContact CG2-CE2 4.29Å; T296-Y298 WeakPolarHBondContact O-CD2 3.42Å; T296-Y298 WeakPolarHBondContact O-CE2 3.42Å; T296-Y298 PolarHBondContact O-N 3.37Å; T296-L341 HydrophobicContact CG2-CD2 3.25Å; T296-L341 HydrophobicContact CG2-CG 4.46Å
297	P	77.9	Confident	60.7	Low	56 Å²	56	72.8 Å²	72.8	36%	0.364	47%	0.465	S	S	.	.			trans	-81.7	73.1	-169.2	33	-36.6	0	0	0	113.3	Y299 I300 L338	P297-Y299 PolarHBondContact O-N 3.16Å; P297-Y299 VanDerWaalsContact O-N 3.09Å; P297-I300 VanDerWaalsContact O-CG2 3.24Å; P297-I300 WeakPolarHBondContact O-CG2 3.43Å; P297-I300 PolarHBondContact O-N 3.04Å; P297-L338 HydrophobicContact CG-CD1 3.71Å
298	Y	86.4	Confident	62.8	Low	70 Å²	70	72.7 Å²	72.7	28%	0.275	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.6	-171.8	-59.6	-69.4	0	0	0	117.3	T296 K331 F333 E334 L341	T296-Y298 HydrophobicContact CG2-CD1 4.07Å; T296-Y298 HydrophobicContact CG2-CE1 3.59Å; T296-Y298 HydrophobicContact CG2-CE2 4.29Å; T296-Y298 WeakPolarHBondContact O-CD2 3.42Å; T296-Y298 WeakPolarHBondContact O-CE2 3.42Å; T296-Y298 PolarHBondContact O-N 3.37Å; Y298-K331 HydrophobicContact CD1-CB 4.15Å; Y298-K331 HydrophobicContact CD1-CG 4.03Å; Y298-K331 HydrophobicContact CD2-CD 4.33Å; Y298-K331 HydrophobicContact CD2-CG 4.19Å; Y298-K331 HydrophobicContact CE1-CG 4.36Å; Y298-K331 HydrophobicContact CG-CB 4.33Å; Y298-K331 HydrophobicContact CG-CD 4.24Å; Y298-K331 HydrophobicContact CG-CG 3.92Å; Y298-F333 VanDerWaalsContact CD1-O 3.28Å; Y298-F333 WeakPolarHBondContact CD1-O 3.32Å; Y298-E334 HydrophobicContact CE1-CG 4.38Å; Y298-L341 HydrophobicContact CD1-CD1 4.44Å; Y298-L341 HydrophobicContact CD1-CD2 4.26Å
299	Y	90.6	Very high	65	Low	34 Å²	34	70.9 Å²	70.9	13%	0.133	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	4.9	-175.2	-51.7	-88.8	0	0	0	113.3	K258 T259 P297 C321 I322 E325 K331	K258-Y299 HydrophobicContact CB-CD1 4.36Å; K258-Y299 HydrophobicContact CB-CD2 3.48Å; K258-Y299 VanDerWaalsContact CB-CD2 3.48Å; K258-Y299 HydrophobicContact CB-CE1 4.38Å; K258-Y299 HydrophobicContact CB-CE2 3.48Å; K258-Y299 VanDerWaalsContact CB-CE2 3.48Å; K258-Y299 HydrophobicContact CB-CG 3.95Å; T259-Y299 HydrophobicContact CG2-CE1 4.44Å; T259-Y299 PolarHBondContact OG1-OH 3.32Å; P297-Y299 PolarHBondContact O-N 3.16Å; P297-Y299 VanDerWaalsContact O-N 3.09Å; Y299-C321 HydrophobicContact CD1-CB 3.64Å; Y299-C321 HydrophobicContact CE1-CB 4.22Å; Y299-I322 HydrophobicContact CD1-CG1 4.17Å; Y299-I322 HydrophobicContact CE1-CG1 3.95Å; Y299-E325 WeakPolarHBondContact CE1-OE2 3.4Å; Y299-E325 PolarHBondContact OH-OE2 2.84Å; Y299-K331 PolarHBondContact OH-NZ 2.7Å
300	I	88.6	Confident	67.1	Low	33 Å²	33	68.7 Å²	68.7	17%	0.169	42%	0.422	C	S	.	.			trans	-68.7	139.9	179.7	-163.6	168.3	0	0	0	110.6	P297 M304 W317 I345	P297-I300 VanDerWaalsContact O-CG2 3.24Å; P297-I300 WeakPolarHBondContact O-CG2 3.43Å; P297-I300 PolarHBondContact O-N 3.04Å; I300-M304 HydrophobicContact CD1-CB 3.96Å; I300-M304 HydrophobicContact CD1-CE 4.3Å; I300-M304 HydrophobicContact CG1-CB 3.57Å; I300-M304 HydrophobicContact CG1-CE 4.06Å; I300-M304 HydrophobicContact CG1-CG 4.31Å; I300-M304 HydrophobicContact CG1-SD 3.73Å; I300-W317 PolarHBondContact O-NE1 3.37Å; I300-I345 HydrophobicContact CG2-CD1 3.47Å; I300-I345 VanDerWaalsContact CG2-CD1 3.47Å
301	S	89.8	Confident	69.9	Low	1 Å²	1	67.2 Å²	67.2	1%	0.007	41%	0.405	C	S	.	.			trans	-88.1	157.9	179.8	64.7	0	0	0	0	112.6	E303 M304 C305	S301-E303 VanDerWaalsContact C-N 3.28Å; S301-E303 VanDerWaalsContact CB-CD 3.43Å; S301-E303 WeakPolarHBondContact CB-OE1 3.42Å; S301-E303 WeakPolarHBondContact CB-OE2 3.43Å; S301-E303 PolarHBondContact O-N 3.36Å; S301-E303 PolarHBondContact OG-OE1 3.45Å; S301-E303 PolarHBondContact OG-OE2 3.26Å; S301-M304 WeakPolarHBondContact O-CB 3.5Å; S301-M304 PolarHBondContact O-N 2.96Å; S301-M304 VanDerWaalsContact O-N 3.09Å; S301-M304 WeakPolarHBondContact OG-CG 3.44Å; S301-C305 PolarHBondContact O-N 3.28Å; S301-C305 VanDerWaalsContact O-N 3.13Å
302	P	89.1	Confident	73	Confident	6 Å²	6	61 Å²	61	4%	0.039	38%	0.379	C	S	.	.	H	α-helix	trans	-56.7	-38.7	-179.4	-24.8	32.7	0	0	0	113.6	M304 C305 S306 W317 I345 M346 L371	P302-M304 VanDerWaalsContact C-N 3.32Å; P302-M304 PolarHBondContact O-N 3.03Å; P302-C305 WeakPolarHBondContact O-CB 3.37Å; P302-C305 PolarHBondContact O-N 2.51Å; P302-S306 PolarHBondContact O-N 3.5Å; P302-S306 PolarHBondContact O-OG 2.79Å; P302-W317 HydrophobicContact CG-CE3 4.26Å; P302-W317 HydrophobicContact CG-CH2 3.55Å; P302-W317 HydrophobicContact CG-CZ2 3.86Å; P302-W317 HydrophobicContact CG-CZ3 3.77Å; P302-I345 HydrophobicContact CB-CG2 4.31Å; P302-I345 HydrophobicContact CG-CG2 3.85Å; P302-M346 HydrophobicContact CB-SD 3.85Å; P302-L371 HydrophobicContact CB-CD2 4.1Å; P302-L371 HydrophobicContact CG-CD2 3.72Å
303	E	86.1	Confident	75.9	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.056	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-35.7	178.2	66.1	-84.2	-171.7	0	0	112.2	S301 S306 G307 V308 S314 P373 R376	S301-E303 VanDerWaalsContact C-N 3.28Å; S301-E303 VanDerWaalsContact CB-CD 3.43Å; S301-E303 WeakPolarHBondContact CB-OE1 3.42Å; S301-E303 WeakPolarHBondContact CB-OE2 3.43Å; S301-E303 PolarHBondContact O-N 3.36Å; S301-E303 PolarHBondContact OG-OE1 3.45Å; S301-E303 PolarHBondContact OG-OE2 3.26Å; E303-S306 PolarHBondContact O-N 2.97Å; E303-G307 PolarHBondContact O-N 2.97Å; E303-V308 HydrophobicContact CB-CB 4.02Å; E303-V308 HydrophobicContact CB-CG1 4.32Å; E303-V308 WeakPolarHBondContact O-CA 3.42Å; E303-V308 VanDerWaalsContact O-CB 3.32Å; E303-V308 WeakPolarHBondContact O-CB 3.34Å; E303-V308 PolarHBondContact O-N 2.81Å; E303-S314 WeakPolarHBondContact OE1-CA 3.42Å; E303-S314 WeakPolarHBondContact OE1-CB 3.27Å; E303-S314 PolarHBondContact OE1-OG 3.01Å; E303-P373 HydrophobicContact CB-CG 4.24Å; E303-P373 HydrophobicContact CG-CG 4.22Å; E303-R376 IonicContact OE1-CZ 3.9Å; E303-R376 IonicContact OE1-NH1 3.03Å; E303-R376 PolarHBondContact OE1-NH1 2.87Å; E303-R376 IonicContact OE1-NH2 2.55Å; E303-R376 IonicContact OE2-CZ 2.89Å; E303-R376 IonicContact OE2-NH1 3.8Å; E303-R376 PolarHBondContact OE2-NH1 2.77Å; E303-R376 IonicContact OE2-NH2 3.76Å; E303-R376 PolarHBondContact OE2-NH2 3.19Å
304	M	82.6	Confident	78.9	Confident	45 Å²	45	49.1 Å²	49.1	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-38.8	174	-67.6	179	76.6	0	0	111.8	I300 S301 P302 S306 G307 Y310	I300-M304 HydrophobicContact CD1-CB 3.96Å; I300-M304 HydrophobicContact CD1-CE 4.3Å; I300-M304 HydrophobicContact CG1-CB 3.57Å; I300-M304 HydrophobicContact CG1-CE 4.06Å; I300-M304 HydrophobicContact CG1-CG 4.31Å; I300-M304 HydrophobicContact CG1-SD 3.73Å; S301-M304 WeakPolarHBondContact O-CB 3.5Å; S301-M304 PolarHBondContact O-N 2.96Å; S301-M304 VanDerWaalsContact O-N 3.09Å; S301-M304 WeakPolarHBondContact OG-CG 3.44Å; P302-M304 VanDerWaalsContact C-N 3.32Å; P302-M304 PolarHBondContact O-N 3.03Å; M304-S306 PolarHBondContact O-N 2.69Å; M304-G307 PolarHBondContact O-N 2.8Å; M304-G307 VanDerWaalsContact O-N 3.16Å; M304-Y310 HydrophobicContact CE-CD2 3.76Å; M304-Y310 HydrophobicContact CE-CE2 4.19Å; M304-Y310 HydrophobicContact CG-CD2 3.93Å; M304-Y310 HydrophobicContact SD-CD2 3.32Å; M304-Y310 WeakPolarHBondContact SD-CD2 3.48Å; M304-Y310 HydrophobicContact SD-CE2 3.5Å; M304-Y310 WeakPolarHBondContact SD-CE2 3.47Å
305	C	80.1	Confident	81.5	Confident	31 Å²	31	42.8 Å²	42.8	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-29.9	173.7	-66.8	0	0	0	0	112.2	S301 P302 G307 V342 M346	S301-C305 PolarHBondContact O-N 3.28Å; S301-C305 VanDerWaalsContact O-N 3.13Å; P302-C305 WeakPolarHBondContact O-CB 3.37Å; P302-C305 PolarHBondContact O-N 2.51Å; C305-G307 VanDerWaalsContact C-N 3.33Å; C305-V342 HydrophobicContact CB-CG1 4.09Å; C305-M346 HydrophobicContact CB-CG 4.33Å; C305-M346 HydrophobicContact CB-SD 3.8Å
306	S	73.6	Confident	83.7	Confident	69 Å²	69	39.6 Å²	39.6	48%	0.483	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.6	179.3	-53.3	0	0	0	0	113.9	P302 E303 M304 V308 M346	P302-S306 PolarHBondContact O-N 3.5Å; P302-S306 PolarHBondContact O-OG 2.79Å; E303-S306 PolarHBondContact O-N 2.97Å; M304-S306 PolarHBondContact O-N 2.69Å; S306-V308 VanDerWaalsContact C-N 3.3Å; S306-V308 PolarHBondContact O-N 2.87Å; S306-M346 WeakPolarHBondContact OG-CE 3.47Å
307	G	70.7	Confident	85.5	Confident	56 Å²	56	37 Å²	37	58%	0.577	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	12.5	-178	0	0	0	0	0	114.9	E303 M304 C305	E303-G307 PolarHBondContact O-N 2.97Å; M304-G307 PolarHBondContact O-N 2.8Å; M304-G307 VanDerWaalsContact O-N 3.16Å; C305-G307 VanDerWaalsContact C-N 3.33Å
308	V	76.5	Confident	86.4	Confident	83 Å²	83	34.4 Å²	34.4	50%	0.503	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-79.1	149.3	173.5	-179.8	0	0	0	0	109.6	E303 S306	E303-V308 HydrophobicContact CB-CB 4.02Å; E303-V308 HydrophobicContact CB-CG1 4.32Å; E303-V308 WeakPolarHBondContact O-CA 3.42Å; E303-V308 VanDerWaalsContact O-CB 3.32Å; E303-V308 WeakPolarHBondContact O-CB 3.34Å; E303-V308 PolarHBondContact O-N 2.81Å; S306-V308 VanDerWaalsContact C-N 3.3Å; S306-V308 PolarHBondContact O-N 2.87Å
309	S	74.1	Confident	86.9	Confident	96 Å²	96	31.1 Å²	31.1	67%	0.671	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-63.9	136.7	-178.5	57.7	0	0	0	0	113
310	Y	80.3	Confident	87.2	Confident	43 Å²	43	29.5 Å²	29.5	17%	0.169	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-58.2	135.1	172.8	-164.4	-79.9	0	0	0	112.4	L253 R255 M304 D315	L253-Y310 HydrophobicContact CB-CD1 4.46Å; L253-Y310 HydrophobicContact CB-CE1 4.33Å; L253-Y310 HydrophobicContact CD1-CD1 4.04Å; R255-Y310 HydrophobicContact CB-CE1 4.29Å; R255-Y310 HydrophobicContact CG-CD1 3.81Å; R255-Y310 HydrophobicContact CG-CE1 3.81Å; R255-Y310 HydrophobicContact CG-CG 4.35Å; M304-Y310 HydrophobicContact CE-CD2 3.76Å; M304-Y310 HydrophobicContact CE-CE2 4.19Å; M304-Y310 HydrophobicContact CG-CD2 3.93Å; M304-Y310 HydrophobicContact SD-CD2 3.32Å; M304-Y310 WeakPolarHBondContact SD-CD2 3.48Å; M304-Y310 HydrophobicContact SD-CE2 3.5Å; M304-Y310 WeakPolarHBondContact SD-CE2 3.47Å; Y310-D315 WeakPolarHBondContact OH-CA 3.42Å; Y310-D315 PolarHBondContact OH-N 3.42Å; Y310-D315 PolarHBondContact OH-OD1 3.29Å
311	N	84.7	Confident	87.6	Confident	36 Å²	36	28 Å²	28	19%	0.193	17%	0.174	C	C	.	.			trans	-138	-175.2	177.1	68.8	16.1	0	0	0	112.2	K313 S314	N311-K313 PolarHBondContact O-N 2.96Å; N311-K313 WeakPolarHBondContact OD1-CA 3.44Å; N311-K313 VanDerWaalsContact OD1-CB 3.3Å; N311-K313 WeakPolarHBondContact OD1-CB 3.45Å; N311-K313 PolarHBondContact OD1-N 3.5Å; N311-S314 PolarHBondContact N-OG 3.38Å; N311-S314 VanDerWaalsContact O-CB 3.27Å; N311-S314 WeakPolarHBondContact O-CB 3.37Å; N311-S314 PolarHBondContact O-N 3.04Å; N311-S314 PolarHBondContact OD1-N 2.99Å; N311-S314 VanDerWaalsContact OD1-N 3.13Å; N311-S314 PolarHBondContact OD1-OG 3.22Å
312	E	91.1	Very high	88	Confident	81 Å²	81	28 Å²	28	38%	0.379	17%	0.174	S	C	.	.	H	α-helix	trans	-58.7	-30.5	179.1	71.6	-72.8	170.6	0	0	113	H248 L253 S314 D315 M316	H248-E312 PolarHBondContact CE1-O 3.19Å; H248-E312 VanDerWaalsContact CE1-O 3.24Å; L253-E312 HydrophobicContact CD2-CB 3.85Å; E312-S314 VanDerWaalsContact C-N 3.3Å; E312-S314 PolarHBondContact O-N 3.27Å; E312-D315 PolarHBondContact O-N 3.21Å; E312-M316 WeakPolarHBondContact O-CG 3.38Å; E312-M316 PolarHBondContact O-N 3.17Å
313	K	94.3	Very high	88.4	Confident	22 Å²	22	27.7 Å²	27.7	10%	0.096	17%	0.172	C	C	.	.	H	α-helix	trans	-75.8	-20.6	178.4	-55.2	-63.9	-171.6	116.7	0	112.3	N311 M316 W317 P373 Q374 R376	N311-K313 PolarHBondContact O-N 2.96Å; N311-K313 WeakPolarHBondContact OD1-CA 3.44Å; N311-K313 VanDerWaalsContact OD1-CB 3.3Å; N311-K313 WeakPolarHBondContact OD1-CB 3.45Å; N311-K313 PolarHBondContact OD1-N 3.5Å; K313-M316 PolarHBondContact O-N 3.49Å; K313-W317 PolarHBondContact O-N 2.63Å; K313-W317 VanDerWaalsContact O-N 3.09Å; K313-P373 HydrophobicContact CB-CB 3.77Å; K313-P373 WeakPolarHBondContact CD-O 3.46Å; K313-P373 HydrophobicContact CG-CB 4.24Å; K313-P373 WeakPolarHBondContact CG-O 3.39Å; K313-P373 PolarHBondContact NZ-O 3.09Å; K313-Q374 PolarHBondContact NZ-O 3.4Å; K313-R376 HydrophobicContact CD-CB 4.34Å; K313-R376 PolarHBondContact NZ-O 3.07Å; K313-R376 WeakPolarHBondContact O-CD 3.39Å; K313-R376 PolarHBondContact O-NH1 3.06Å
314	S	91.9	Very high	88.8	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-36.8	171.1	-50.4	0	0	0	0	111.3	E303 N311 E312 M316 W317 A318	E303-S314 WeakPolarHBondContact OE1-CA 3.42Å; E303-S314 WeakPolarHBondContact OE1-CB 3.27Å; E303-S314 PolarHBondContact OE1-OG 3.01Å; N311-S314 PolarHBondContact N-OG 3.38Å; N311-S314 VanDerWaalsContact O-CB 3.27Å; N311-S314 WeakPolarHBondContact O-CB 3.37Å; N311-S314 PolarHBondContact O-N 3.04Å; N311-S314 PolarHBondContact OD1-N 2.99Å; N311-S314 VanDerWaalsContact OD1-N 3.13Å; N311-S314 PolarHBondContact OD1-OG 3.22Å; E312-S314 VanDerWaalsContact C-N 3.3Å; E312-S314 PolarHBondContact O-N 3.27Å; S314-M316 VanDerWaalsContact C-N 3.32Å; S314-W317 PolarHBondContact O-N 3.39Å; S314-A318 PolarHBondContact O-N 3.02Å
315	D	93.9	Very high	89.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-40.3	171.2	-77.6	-40.6	0	0	0	110.5	V244 H248 H254 R255 L257 Y310 E312 W317 A318 L319	V244-D315 HydrophobicContact CG1-CB 4.42Å; H248-D315 IonicContact CD2-OD2 3.93Å; H248-D315 IonicContact CE1-OD2 3.41Å; H248-D315 IonicContact NE2-OD2 2.8Å; H248-D315 PolarHBondContact NE2-OD2 3.44Å; H254-D315 WeakPolarHBondContact CB-OD1 3.07Å; H254-D315 PolarHBondContact N-OD1 3.39Å; H254-D315 PolarHBondContact N-OD2 2.74Å; R255-D315 PolarHBondContact N-OD1 3.21Å; L257-D315 HydrophobicContact CD1-CB 3.8Å; Y310-D315 WeakPolarHBondContact OH-CA 3.42Å; Y310-D315 PolarHBondContact OH-N 3.42Å; Y310-D315 PolarHBondContact OH-OD1 3.29Å; E312-D315 PolarHBondContact O-N 3.21Å; D315-W317 PolarHBondContact O-N 3.46Å; D315-A318 PolarHBondContact O-N 3.08Å; D315-L319 PolarHBondContact O-N 3.33Å
316	M	97.4	Very high	90.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-36.3	178.3	-59.7	-50.1	-56.7	0	0	113	V244 E312 K313 S314 L319 G320 L368 P377 A379 A382	V244-M316 HydrophobicContact CG1-SD 4.14Å; E312-M316 WeakPolarHBondContact O-CG 3.38Å; E312-M316 PolarHBondContact O-N 3.17Å; K313-M316 PolarHBondContact O-N 3.49Å; S314-M316 VanDerWaalsContact C-N 3.32Å; M316-L319 HydrophobicContact CE-CD1 3.95Å; M316-L319 PolarHBondContact O-N 2.68Å; M316-L319 HydrophobicContact SD-CD1 4.09Å; M316-G320 PolarHBondContact O-N 3.33Å; M316-L368 HydrophobicContact CB-CD2 4.17Å; M316-L368 HydrophobicContact CE-CD2 3.54Å; M316-P377 WeakPolarHBondContact CG-O 3.39Å; M316-A379 HydrophobicContact CE-CB 4.14Å; M316-A379 HydrophobicContact SD-CB 3.77Å; M316-A382 HydrophobicContact CE-CB 3.98Å
317	W	96.6	Very high	91.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.1	175.3	-86.2	0	0	0	111.6	I300 P302 K313 S314 D315 L319 G320 C321 F333 I345 L369 Q370	I300-W317 PolarHBondContact O-NE1 3.37Å; P302-W317 HydrophobicContact CG-CE3 4.26Å; P302-W317 HydrophobicContact CG-CH2 3.55Å; P302-W317 HydrophobicContact CG-CZ2 3.86Å; P302-W317 HydrophobicContact CG-CZ3 3.77Å; K313-W317 PolarHBondContact O-N 2.63Å; K313-W317 VanDerWaalsContact O-N 3.09Å; S314-W317 PolarHBondContact O-N 3.39Å; D315-W317 PolarHBondContact O-N 3.46Å; W317-L319 VanDerWaalsContact C-N 3.3Å; W317-L319 PolarHBondContact O-N 3.43Å; W317-G320 WeakPolarHBondContact O-CA 3.47Å; W317-G320 PolarHBondContact O-N 3.49Å; W317-C321 PolarHBondContact O-N 2.65Å; W317-F333 AromaticContact CE2-CE2 3.92Å; W317-F333 AromaticContact CH2-CE2 3.96Å; W317-F333 HydrophobicContact CH2-CE2 3.96Å; W317-F333 AromaticContact CH2-CZ 3.62Å; W317-F333 HydrophobicContact CH2-CZ 3.62Å; W317-F333 HydrophobicContact CZ2-CD2 4.14Å; W317-F333 HydrophobicContact CZ2-CE1 4.4Å; W317-F333 AromaticContact CZ2-CE2 3.25Å; W317-F333 HydrophobicContact CZ2-CE2 3.25Å; W317-F333 AromaticContact CZ2-CZ 3.41Å; W317-F333 HydrophobicContact CZ2-CZ 3.41Å; W317-F333 VanDerWaalsContact CZ2-CZ 3.41Å; W317-I345 HydrophobicContact CZ2-CG2 4.02Å; W317-L369 HydrophobicContact CD2-CD2 3.93Å; W317-L369 HydrophobicContact CE3-CD2 4.03Å; W317-L369 HydrophobicContact CG-CD2 4.47Å; W317-L369 HydrophobicContact CH2-CD2 4.41Å; W317-L369 HydrophobicContact CZ2-CD2 4.3Å; W317-L369 VanDerWaalsContact CZ3-C 3.48Å; W317-L369 HydrophobicContact CZ3-CB 4.21Å; W317-L369 HydrophobicContact CZ3-CD2 4.29Å; W317-Q370 WeakPolarHBondContact CZ3-O 3.38Å
318	A	95.9	Very high	92.1	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-38.4	178	0	0	0	0	0	112.1	L257 S314 D315 G320 C321 I322	L257-A318 HydrophobicContact CB-CB 3.66Å; S314-A318 PolarHBondContact O-N 3.02Å; D315-A318 PolarHBondContact O-N 3.08Å; A318-G320 VanDerWaalsContact C-N 3.33Å; A318-G320 PolarHBondContact O-N 3.16Å; A318-C321 WeakPolarHBondContact O-CB 3.42Å; A318-C321 PolarHBondContact O-N 2.88Å; A318-I322 WeakPolarHBondContact O-CG1 3.38Å; A318-I322 PolarHBondContact O-N 3.32Å
319	L	97.4	Very high	92.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-39	170.1	-73	-179	0	0	0	112.4	M237 M240 V244 L257 D315 M316 W317 I322 L323	M237-L319 HydrophobicContact CE-CB 4.42Å; M240-L319 HydrophobicContact CB-CD2 4.07Å; M240-L319 HydrophobicContact SD-CD2 4.36Å; V244-L319 HydrophobicContact CB-CD1 4.21Å; V244-L319 HydrophobicContact CG1-CD1 4.28Å; V244-L319 HydrophobicContact CG2-CD1 4.02Å; V244-L319 HydrophobicContact CG2-CD2 4.44Å; L257-L319 HydrophobicContact CD1-CD2 4.21Å; L257-L319 HydrophobicContact CD1-CG 4.09Å; D315-L319 PolarHBondContact O-N 3.33Å; M316-L319 HydrophobicContact CE-CD1 3.95Å; M316-L319 PolarHBondContact O-N 2.68Å; M316-L319 HydrophobicContact SD-CD1 4.09Å; W317-L319 VanDerWaalsContact C-N 3.3Å; W317-L319 PolarHBondContact O-N 3.43Å; L319-I322 HydrophobicContact CD2-CD1 4.44Å; L319-I322 PolarHBondContact O-N 3.23Å; L319-L323 WeakPolarHBondContact O-CB 3.3Å; L319-L323 PolarHBondContact O-N 3.13Å
320	G	97.3	Very high	93.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-43.2	173.2	0	0	0	0	0	112.7	M316 W317 A318 L323 Y324	M316-G320 PolarHBondContact O-N 3.33Å; W317-G320 WeakPolarHBondContact O-CA 3.47Å; W317-G320 PolarHBondContact O-N 3.49Å; A318-G320 VanDerWaalsContact C-N 3.33Å; A318-G320 PolarHBondContact O-N 3.16Å; G320-L323 PolarHBondContact O-N 3.23Å; G320-Y324 WeakPolarHBondContact O-CB 3.48Å; G320-Y324 PolarHBondContact O-N 3.23Å
321	C	96.9	Very high	94	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.02	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.3	-70.3	0	0	0	0	112.3	Y299 W317 A318 E325	Y299-C321 HydrophobicContact CD1-CB 3.64Å; Y299-C321 HydrophobicContact CE1-CB 4.22Å; W317-C321 PolarHBondContact O-N 2.65Å; A318-C321 WeakPolarHBondContact O-CB 3.42Å; A318-C321 PolarHBondContact O-N 2.88Å; C321-E325 WeakPolarHBondContact O-CB 3.29Å; C321-E325 PolarHBondContact O-N 2.96Å
322	I	97.2	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-45.8	176.4	-69.2	165.2	0	0	0	110.6	L217 M240 L257 T259 V262 Y299 A318 L319 E325 M326	L217-I322 HydrophobicContact CD2-CG2 3.81Å; M240-I322 HydrophobicContact CE-CG2 4.06Å; M240-I322 HydrophobicContact SD-CG2 4Å; L257-I322 HydrophobicContact CB-CD1 4.42Å; T259-I322 HydrophobicContact CG2-CB 4.47Å; T259-I322 HydrophobicContact CG2-CG1 4.09Å; T259-I322 HydrophobicContact CG2-CG2 4.14Å; V262-I322 HydrophobicContact CG2-CD1 4.31Å; Y299-I322 HydrophobicContact CD1-CG1 4.17Å; Y299-I322 HydrophobicContact CE1-CG1 3.95Å; A318-I322 WeakPolarHBondContact O-CG1 3.38Å; A318-I322 PolarHBondContact O-N 3.32Å; L319-I322 HydrophobicContact CD2-CD1 4.44Å; L319-I322 PolarHBondContact O-N 3.23Å; I322-E325 PolarHBondContact O-N 3.03Å; I322-M326 HydrophobicContact CG2-CE 4.19Å; I322-M326 WeakPolarHBondContact O-CG 3.34Å; I322-M326 PolarHBondContact O-N 2.72Å
323	L	97	Very high	94.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-46.9	178.1	-179.2	50	0	0	0	111.6	I233 M237 L319 G320 E325 M326 C327 M361 V364 I365 L368	I233-L323 HydrophobicContact CG2-CD1 3.38Å; M237-L323 HydrophobicContact CE-CB 3.99Å; M237-L323 HydrophobicContact CE-CD2 4.12Å; M237-L323 HydrophobicContact CE-CG 4.45Å; M237-L323 HydrophobicContact CG-CB 4.4Å; M237-L323 HydrophobicContact CG-CD1 3.44Å; M237-L323 VanDerWaalsContact CG-CD1 3.44Å; M237-L323 HydrophobicContact CG-CD2 4.32Å; M237-L323 HydrophobicContact CG-CG 4.23Å; M237-L323 HydrophobicContact SD-CB 3.75Å; M237-L323 HydrophobicContact SD-CD1 3.93Å; M237-L323 HydrophobicContact SD-CD2 4.47Å; M237-L323 HydrophobicContact SD-CG 4.23Å; L319-L323 WeakPolarHBondContact O-CB 3.3Å; L319-L323 PolarHBondContact O-N 3.13Å; G320-L323 PolarHBondContact O-N 3.23Å; L323-E325 VanDerWaalsContact C-N 3.29Å; L323-E325 PolarHBondContact O-N 2.96Å; L323-M326 HydrophobicContact CD1-CE 3.99Å; L323-M326 PolarHBondContact O-N 3.04Å; L323-C327 PolarHBondContact O-N 3.41Å; L323-C327 PolarHBondContact O-SG 3.21Å; L323-C327 VanDerWaalsContact O-SG 3.41Å; L323-M361 HydrophobicContact CD1-SD 3.76Å; L323-M361 HydrophobicContact CD2-SD 4.11Å; L323-M361 HydrophobicContact CG-SD 4.37Å; L323-V364 HydrophobicContact CD2-CB 4.22Å; L323-V364 HydrophobicContact CD2-CG1 3.7Å; L323-I365 HydrophobicContact CB-CG1 4.19Å; L323-I365 HydrophobicContact CD2-CD1 4.28Å; L323-I365 HydrophobicContact CD2-CG1 3.44Å; L323-I365 VanDerWaalsContact CD2-CG1 3.44Å; L323-I365 HydrophobicContact CG-CD1 3.89Å; L323-I365 HydrophobicContact CG-CG1 3.47Å; L323-I365 VanDerWaalsContact CG-CG1 3.47Å; L323-L368 HydrophobicContact CD2-CD1 4.35Å
324	Y	96.2	Very high	93.8	Very high	11 Å²	11	19.5 Å²	19.5	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-44.8	174.2	-179.7	-83	0	0	0	111.7	G320 M326 C327 C328 K331 A332 Y350 T351 V353 I365	G320-Y324 WeakPolarHBondContact O-CB 3.48Å; G320-Y324 PolarHBondContact O-N 3.23Å; Y324-M326 VanDerWaalsContact C-N 3.34Å; Y324-M326 PolarHBondContact O-N 2.86Å; Y324-C327 PolarHBondContact O-N 3.06Å; Y324-C328 HydrophobicContact CD1-CB 4.16Å; Y324-C328 HydrophobicContact CE1-CB 3.7Å; Y324-C328 VanDerWaalsContact CE2-SG 3.59Å; Y324-C328 WeakPolarHBondContact O-CB 3.21Å; Y324-C328 PolarHBondContact O-N 2.98Å; Y324-K331 WeakPolarHBondContact CE1-O 3.46Å; Y324-A332 HydrophobicContact CD1-CB 3.57Å; Y324-A332 HydrophobicContact CD2-CB 4.48Å; Y324-A332 HydrophobicContact CE1-CB 4.12Å; Y324-A332 HydrophobicContact CG-CB 3.76Å; Y324-Y350 AromaticContact CD2-CD2 3.89Å; Y324-Y350 HydrophobicContact CD2-CD2 3.89Å; Y324-Y350 HydrophobicContact CD2-CE2 4.14Å; Y324-Y350 AromaticContact CE2-CD2 3.59Å; Y324-Y350 HydrophobicContact CE2-CD2 3.59Å; Y324-Y350 HydrophobicContact CE2-CE2 4.13Å; Y324-T351 WeakPolarHBondContact CE2-O 3.17Å; Y324-T351 PolarHBondContact OH-O 3.37Å; Y324-V353 HydrophobicContact CD2-CG2 3.59Å; Y324-V353 HydrophobicContact CE2-CG2 3.7Å; Y324-I365 HydrophobicContact CD2-CG2 4.2Å
325	E	95.2	Very high	93.1	Very high	14 Å²	14	20.5 Å²	20.5	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-36.9	-179.6	-168.3	-178.6	159.8	0	0	112.6	L221 T259 Y299 C321 I322 L323 L329 K330 K331	L221-E325 HydrophobicContact CD1-CG 4.02Å; T259-E325 WeakPolarHBondContact CG2-OE2 3.35Å; T259-E325 PolarHBondContact OG1-OE1 3.14Å; Y299-E325 WeakPolarHBondContact CE1-OE2 3.4Å; Y299-E325 PolarHBondContact OH-OE2 2.84Å; C321-E325 WeakPolarHBondContact O-CB 3.29Å; C321-E325 PolarHBondContact O-N 2.96Å; I322-E325 PolarHBondContact O-N 3.03Å; L323-E325 VanDerWaalsContact C-N 3.29Å; L323-E325 PolarHBondContact O-N 2.96Å; E325-L329 WeakPolarHBondContact O-CA 3.28Å; E325-L329 PolarHBondContact O-N 3.38Å; E325-K330 WeakPolarHBondContact CA-O 3.46Å; E325-K331 HydrophobicContact CG-CD 4.34Å; E325-K331 IonicContact OE1-NZ 2.76Å; E325-K331 PolarHBondContact OE1-NZ 3.2Å; E325-K331 WeakPolarHBondContact OE2-CD 3.34Å; E325-K331 IonicContact OE2-NZ 3.57Å; E325-K331 PolarHBondContact OE2-NZ 2.55Å
326	M	95.6	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-41	173.1	-68.4	-170.2	-65.3	0	0	112	L217 L221 L228 I233 M236 M237 M240 I322 L323 Y324	L217-M326 HydrophobicContact CD1-CG 4.37Å; L217-M326 HydrophobicContact CD1-SD 4.13Å; L217-M326 HydrophobicContact CD2-CG 4.21Å; L217-M326 HydrophobicContact CD2-SD 3.88Å; L221-M326 HydrophobicContact CD1-CG 4.25Å; L221-M326 HydrophobicContact CD2-CG 4.25Å; L228-M326 HydrophobicContact CD1-CB 4.44Å; I233-M326 HydrophobicContact CG1-CB 4.34Å; I233-M326 HydrophobicContact CG2-CB 4.29Å; I233-M326 HydrophobicContact CG2-CE 4.04Å; M236-M326 HydrophobicContact CB-SD 4.43Å; M236-M326 HydrophobicContact CE-SD 3.77Å; M236-M326 HydrophobicContact SD-SD 4.37Å; M237-M326 HydrophobicContact CG-CE 3.61Å; M237-M326 HydrophobicContact SD-CE 3.44Å; M237-M326 WeakPolarHBondContact SD-CE 3.05Å; M240-M326 HydrophobicContact CE-CE 3.57Å; M240-M326 HydrophobicContact CE-SD 4.05Å; I322-M326 HydrophobicContact CG2-CE 4.19Å; I322-M326 WeakPolarHBondContact O-CG 3.34Å; I322-M326 PolarHBondContact O-N 2.72Å; L323-M326 HydrophobicContact CD1-CE 3.99Å; L323-M326 PolarHBondContact O-N 3.04Å; Y324-M326 VanDerWaalsContact C-N 3.34Å; Y324-M326 PolarHBondContact O-N 2.86Å
327	C	94.1	Very high	91.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.6	-39.3	179.1	-67.4	0	0	0	0	112.8	L227 L323 Y324 V353 Y357 I365	L227-C327 WeakPolarHBondContact CD2-O 3.37Å; L323-C327 PolarHBondContact O-N 3.41Å; L323-C327 PolarHBondContact O-SG 3.21Å; L323-C327 VanDerWaalsContact O-SG 3.41Å; Y324-C327 PolarHBondContact O-N 3.06Å; C327-V353 HydrophobicContact CB-CG1 3.69Å; C327-Y357 WeakPolarHBondContact CA-OH 3.48Å; C327-Y357 HydrophobicContact CB-CD2 4.24Å; C327-Y357 HydrophobicContact CB-CE2 3.83Å; C327-Y357 WeakPolarHBondContact O-CE2 3.23Å; C327-Y357 VanDerWaalsContact O-CZ 3.31Å; C327-Y357 PolarHBondContact O-OH 3.32Å; C327-I365 HydrophobicContact CB-CD1 4.44Å
328	C	90.3	Very high	90.3	Very high	21 Å²	21	36.9 Å²	36.9	14%	0.142	19%	0.192	C	C	.	.	H	α-helix	trans	-103.8	-12.3	-169.1	-67.9	0	0	0	0	114.4	Y324 K330	Y324-C328 HydrophobicContact CD1-CB 4.16Å; Y324-C328 HydrophobicContact CE1-CB 3.7Å; Y324-C328 VanDerWaalsContact CE2-SG 3.59Å; Y324-C328 WeakPolarHBondContact O-CB 3.21Å; Y324-C328 PolarHBondContact O-N 2.98Å; C328-K330 HydrophobicContact CB-CB 4.47Å; C328-K330 PolarHBondContact O-N 2.96Å; C328-K330 VanDerWaalsContact O-N 3.14Å
329	L	90.3	Very high	89.4	Confident	50 Å²	50	41.2 Å²	41.2	26%	0.262	22%	0.219	S	C	.	.	S	Bend	trans	53.8	25.4	-169.3	-53.1	179.1	0	0	0	113.4	L221 T224 L227 E325	L221-L329 HydrophobicContact CD2-CD2 3.81Å; T224-L329 HydrophobicContact CG2-CD1 3.95Å; T224-L329 HydrophobicContact CG2-CD2 3.99Å; L227-L329 HydrophobicContact CD2-CD1 4.41Å; L227-L329 HydrophobicContact CD2-CG 4.44Å; E325-L329 WeakPolarHBondContact O-CA 3.28Å; E325-L329 PolarHBondContact O-N 3.38Å
330	K	90.4	Very high	88.4	Confident	140 Å²	140	42.9 Å²	42.9	61%	0.609	23%	0.233	S	C	*	.	S	Bend	trans	-144.1	155.6	-177.5	-66	-175.8	-177.7	-175.4	0	109.9	E325 C328	E325-K330 WeakPolarHBondContact CA-O 3.46Å; C328-K330 HydrophobicContact CB-CB 4.47Å; C328-K330 PolarHBondContact O-N 2.96Å; C328-K330 VanDerWaalsContact O-N 3.14Å
331	K	91.1	Very high	87.7	Confident	49 Å²	49	43 Å²	43	21%	0.213	23%	0.234	C	C	.	.			trans	-69.6	149.2	177.9	-51.6	-60.1	-174.7	-175.7	0	109.8	Y298 Y299 Y324 E325 E334	Y298-K331 HydrophobicContact CD1-CB 4.15Å; Y298-K331 HydrophobicContact CD1-CG 4.03Å; Y298-K331 HydrophobicContact CD2-CD 4.33Å; Y298-K331 HydrophobicContact CD2-CG 4.19Å; Y298-K331 HydrophobicContact CE1-CG 4.36Å; Y298-K331 HydrophobicContact CG-CB 4.33Å; Y298-K331 HydrophobicContact CG-CD 4.24Å; Y298-K331 HydrophobicContact CG-CG 3.92Å; Y299-K331 PolarHBondContact OH-NZ 2.7Å; Y324-K331 WeakPolarHBondContact CE1-O 3.46Å; E325-K331 HydrophobicContact CG-CD 4.34Å; E325-K331 IonicContact OE1-NZ 2.76Å; E325-K331 PolarHBondContact OE1-NZ 3.2Å; E325-K331 WeakPolarHBondContact OE2-CD 3.34Å; E325-K331 IonicContact OE2-NZ 3.57Å; E325-K331 PolarHBondContact OE2-NZ 2.55Å; K331-E334 HydrophobicContact CB-CG 3.68Å; K331-E334 WeakPolarHBondContact CB-OE1 3.41Å; K331-E334 HydrophobicContact CG-CG 4.36Å; K331-E334 PolarHBondContact N-OE1 3.49Å; K331-E334 VanDerWaalsContact N-OE1 3.11Å
332	A	90.3	Very high	87	Confident	8 Å²	8	45 Å²	45	7%	0.066	25%	0.246	C	C	.	.	S	Bend	trans	-63.4	-48.4	177.7	0	0	0	0	0	111.6	Y324 Y350	Y324-A332 HydrophobicContact CD1-CB 3.57Å; Y324-A332 HydrophobicContact CD2-CB 4.48Å; Y324-A332 HydrophobicContact CE1-CB 4.12Å; Y324-A332 HydrophobicContact CG-CB 3.76Å; A332-Y350 WeakPolarHBondContact O-CB 3.22Å
333	F	91.7	Very high	86.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-117.3	127.1	179.9	-51.7	-78.7	0	0	0	108.5	Y298 W317 L341 S344 I345 Y350 L369	Y298-F333 VanDerWaalsContact CD1-O 3.28Å; Y298-F333 WeakPolarHBondContact CD1-O 3.32Å; W317-F333 AromaticContact CE2-CE2 3.92Å; W317-F333 AromaticContact CH2-CE2 3.96Å; W317-F333 HydrophobicContact CH2-CE2 3.96Å; W317-F333 AromaticContact CH2-CZ 3.62Å; W317-F333 HydrophobicContact CH2-CZ 3.62Å; W317-F333 HydrophobicContact CZ2-CD2 4.14Å; W317-F333 HydrophobicContact CZ2-CE1 4.4Å; W317-F333 AromaticContact CZ2-CE2 3.25Å; W317-F333 HydrophobicContact CZ2-CE2 3.25Å; W317-F333 AromaticContact CZ2-CZ 3.41Å; W317-F333 HydrophobicContact CZ2-CZ 3.41Å; W317-F333 VanDerWaalsContact CZ2-CZ 3.41Å; F333-L341 VanDerWaalsContact C-CD1 3.48Å; F333-L341 HydrophobicContact CB-CD1 3.56Å; F333-L341 WeakPolarHBondContact O-CD1 3.4Å; F333-S344 WeakPolarHBondContact CD1-OG 3.31Å; F333-I345 HydrophobicContact CB-CD1 4.48Å; F333-I345 HydrophobicContact CB-CG1 3.7Å; F333-I345 HydrophobicContact CD1-CG1 4.19Å; F333-I345 HydrophobicContact CD2-CG1 4.01Å; F333-I345 HydrophobicContact CG-CG1 3.69Å; F333-Y350 AromaticContact CE1-CD1 3.79Å; F333-Y350 HydrophobicContact CE1-CD1 3.79Å; F333-Y350 HydrophobicContact CE1-CG 4.27Å; F333-Y350 AromaticContact CZ-CD1 3.84Å; F333-Y350 HydrophobicContact CZ-CD1 3.84Å; F333-Y350 HydrophobicContact CZ-CG 4.43Å; F333-L369 HydrophobicContact CE2-CD2 4.18Å; F333-L369 HydrophobicContact CZ-CD1 4.42Å; F333-L369 HydrophobicContact CZ-CD2 4.49Å
334	E	82.2	Confident	85.6	Confident	108 Å²	108	50.6 Å²	50.6	51%	0.505	28%	0.277	S	S	.	.			trans	-134.7	152.1	177.9	-65.6	-176.7	179	0	0	108.9	Y298 K331	Y298-E334 HydrophobicContact CE1-CG 4.38Å; K331-E334 HydrophobicContact CB-CG 3.68Å; K331-E334 WeakPolarHBondContact CB-OE1 3.41Å; K331-E334 HydrophobicContact CG-CG 4.36Å; K331-E334 PolarHBondContact N-OE1 3.49Å; K331-E334 VanDerWaalsContact N-OE1 3.11Å
335	G	78.2	Confident	85.2	Confident	23 Å²	23	50.1 Å²	50.1	24%	0.237	28%	0.275	C	S	.	.			trans	-162.8	149.4	175.9	0	0	0	0	0	110.7	N337	G335-N337 PolarHBondContact O-N 3.49Å; G335-N337 VanDerWaalsContact O-N 3.09Å
336	D	75.5	Confident	84.7	Confident	171 Å²	171	52.9 Å²	52.9	91%	0.914	29%	0.289	S	S	*	.	S	Bend	trans	-62.8	-18.1	-178	-60.2	-34	0	0	0	112.9
337	N	76.8	Confident	84	Confident	84 Å²	84	56.6 Å²	56.6	45%	0.449	31%	0.312	S	S	.	.	S	Bend	trans	-153	168.8	176.6	54.6	60.9	0	0	0	110.6	G335 P339 A340 L341	G335-N337 PolarHBondContact O-N 3.49Å; G335-N337 VanDerWaalsContact O-N 3.09Å; N337-P339 VanDerWaalsContact OD1-CD 3.28Å; N337-P339 WeakPolarHBondContact OD1-CD 3.24Å; N337-A340 PolarHBondContact O-N 2.75Å; N337-A340 WeakPolarHBondContact OD1-CB 3.43Å; N337-A340 PolarHBondContact OD1-N 3.24Å; N337-L341 PolarHBondContact O-N 3.47Å
338	L	76.3	Confident	83.6	Confident	90 Å²	90	58.1 Å²	58.1	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-45	-178.2	-177.3	69.1	0	0	0	113	P297 A340 L341 V342	P297-L338 HydrophobicContact CG-CD1 3.71Å; L338-A340 PolarHBondContact O-N 3.42Å; L338-L341 PolarHBondContact O-N 2.95Å; L338-V342 HydrophobicContact CD1-CG2 4.39Å; L338-V342 HydrophobicContact CG-CG2 4.43Å; L338-V342 VanDerWaalsContact O-CG2 3.29Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 3.06Å
339	P	76.8	Confident	83.2	Confident	93 Å²	93	60 Å²	60	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-58.5	-42.3	173.6	-27.4	34.8	0	0	0	114.6	N337 V342 N343	N337-P339 VanDerWaalsContact OD1-CD 3.28Å; N337-P339 WeakPolarHBondContact OD1-CD 3.24Å; P339-V342 PolarHBondContact O-N 3.36Å; P339-N343 WeakPolarHBondContact O-CB 3.38Å; P339-N343 PolarHBondContact O-N 3.09Å
340	A	76.4	Confident	82.9	Confident	36 Å²	36	60 Å²	60	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.7	0	0	0	0	0	111.6	N337 L338 N343 S344	N337-A340 PolarHBondContact O-N 2.75Å; N337-A340 WeakPolarHBondContact OD1-CB 3.43Å; N337-A340 PolarHBondContact OD1-N 3.24Å; L338-A340 PolarHBondContact O-N 3.42Å; A340-N343 PolarHBondContact O-N 2.73Å; A340-S344 PolarHBondContact O-N 3.26Å
341	L	82.9	Confident	82.3	Confident	1 Å²	1	57 Å²	57	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-49.7	172.9	173.4	63	0	0	0	111.4	T296 Y298 F333 N337 L338 N343 S344 I345	T296-L341 HydrophobicContact CG2-CD2 3.25Å; T296-L341 HydrophobicContact CG2-CG 4.46Å; Y298-L341 HydrophobicContact CD1-CD1 4.44Å; Y298-L341 HydrophobicContact CD1-CD2 4.26Å; F333-L341 VanDerWaalsContact C-CD1 3.48Å; F333-L341 HydrophobicContact CB-CD1 3.56Å; F333-L341 WeakPolarHBondContact O-CD1 3.4Å; N337-L341 PolarHBondContact O-N 3.47Å; L338-L341 PolarHBondContact O-N 2.95Å; L341-N343 VanDerWaalsContact C-N 3.25Å; L341-N343 PolarHBondContact O-N 2.98Å; L341-S344 WeakPolarHBondContact O-CB 3.18Å; L341-S344 PolarHBondContact O-N 3.23Å; L341-S344 VanDerWaalsContact O-N 3.08Å; L341-I345 HydrophobicContact CD1-CD1 3.9Å; L341-I345 HydrophobicContact CD1-CG1 4.11Å; L341-I345 HydrophobicContact CD2-CD1 4.41Å; L341-I345 HydrophobicContact CG-CD1 3.83Å; L341-I345 HydrophobicContact CG-CG1 4.43Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 3.48Å
342	V	82.9	Confident	81.7	Confident	47 Å²	47	56.4 Å²	56.4	29%	0.285	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-42.2	179	169.6	0	0	0	0	110.2	C305 L338 P339 S344 I345 M346	C305-V342 HydrophobicContact CB-CG1 4.09Å; L338-V342 HydrophobicContact CD1-CG2 4.39Å; L338-V342 HydrophobicContact CG-CG2 4.43Å; L338-V342 VanDerWaalsContact O-CG2 3.29Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 3.06Å; P339-V342 PolarHBondContact O-N 3.36Å; V342-S344 PolarHBondContact O-N 3.02Å; V342-I345 PolarHBondContact O-N 3.36Å; V342-M346 HydrophobicContact CG1-CG 4.01Å; V342-M346 WeakPolarHBondContact O-CB 3.14Å; V342-M346 WeakPolarHBondContact O-CG 3.4Å; V342-M346 PolarHBondContact O-N 2.94Å
343	N	82.6	Confident	81.2	Confident	102 Å²	102	56.4 Å²	56.4	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.7	-172.6	51.2	0	0	0	112.4	P339 A340 L341 I345 M346 T347	P339-N343 WeakPolarHBondContact O-CB 3.38Å; P339-N343 PolarHBondContact O-N 3.09Å; A340-N343 PolarHBondContact O-N 2.73Å; L341-N343 VanDerWaalsContact C-N 3.25Å; L341-N343 PolarHBondContact O-N 2.98Å; N343-I345 VanDerWaalsContact C-N 3.33Å; N343-I345 PolarHBondContact O-N 3Å; N343-M346 PolarHBondContact O-N 3.48Å; N343-T347 WeakPolarHBondContact O-CB 3.45Å; N343-T347 WeakPolarHBondContact O-CG2 3.39Å; N343-T347 PolarHBondContact O-N 3.45Å; N343-T347 PolarHBondContact O-OG1 3.27Å
344	S	82.7	Confident	79.9	Confident	15 Å²	15	63 Å²	63	11%	0.105	36%	0.358	C	S	.	.	H	α-helix	trans	-60.8	-41	175.1	170.6	0	0	0	0	112	F333 A340 L341 V342 T347 C348 A349	F333-S344 WeakPolarHBondContact CD1-OG 3.31Å; A340-S344 PolarHBondContact O-N 3.26Å; L341-S344 WeakPolarHBondContact O-CB 3.18Å; L341-S344 PolarHBondContact O-N 3.23Å; L341-S344 VanDerWaalsContact O-N 3.08Å; V342-S344 PolarHBondContact O-N 3.02Å; S344-T347 PolarHBondContact O-OG1 3.33Å; S344-C348 PolarHBondContact O-N 3.43Å; S344-C348 VanDerWaalsContact O-N 3.11Å; S344-A349 PolarHBondContact O-N 3.28Å; S344-A349 PolarHBondContact OG-O 3.09Å
345	I	86.9	Confident	79.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-50.8	175.3	-67.2	170.6	0	0	0	111	I300 P302 W317 F333 L341 V342 N343 T347 C348 L371	I300-I345 HydrophobicContact CG2-CD1 3.47Å; I300-I345 VanDerWaalsContact CG2-CD1 3.47Å; P302-I345 HydrophobicContact CB-CG2 4.31Å; P302-I345 HydrophobicContact CG-CG2 3.85Å; W317-I345 HydrophobicContact CZ2-CG2 4.02Å; F333-I345 HydrophobicContact CB-CD1 4.48Å; F333-I345 HydrophobicContact CB-CG1 3.7Å; F333-I345 HydrophobicContact CD1-CG1 4.19Å; F333-I345 HydrophobicContact CD2-CG1 4.01Å; F333-I345 HydrophobicContact CG-CG1 3.69Å; L341-I345 HydrophobicContact CD1-CD1 3.9Å; L341-I345 HydrophobicContact CD1-CG1 4.11Å; L341-I345 HydrophobicContact CD2-CD1 4.41Å; L341-I345 HydrophobicContact CG-CD1 3.83Å; L341-I345 HydrophobicContact CG-CG1 4.43Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 3.48Å; V342-I345 PolarHBondContact O-N 3.36Å; N343-I345 VanDerWaalsContact C-N 3.33Å; N343-I345 PolarHBondContact O-N 3Å; I345-T347 PolarHBondContact O-N 3.01Å; I345-C348 PolarHBondContact O-N 3.09Å; I345-L371 WeakPolarHBondContact O-CD2 3.32Å
346	M	84.2	Confident	79.3	Confident	72 Å²	72	63 Å²	63	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-24	-176.2	-70.1	-58.1	-65.2	0	0	113.4	P302 C305 S306 V342 N343	P302-M346 HydrophobicContact CB-SD 3.85Å; C305-M346 HydrophobicContact CB-CG 4.33Å; C305-M346 HydrophobicContact CB-SD 3.8Å; S306-M346 WeakPolarHBondContact OG-CE 3.47Å; V342-M346 HydrophobicContact CG1-CG 4.01Å; V342-M346 WeakPolarHBondContact O-CB 3.14Å; V342-M346 WeakPolarHBondContact O-CG 3.4Å; V342-M346 PolarHBondContact O-N 2.94Å; N343-M346 PolarHBondContact O-N 3.48Å
347	T	82.4	Confident	79.7	Confident	79 Å²	79	55.2 Å²	55.2	49%	0.485	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.8	173.7	57.2	0	0	0	0	113.2	N343 S344 I345 A349	N343-T347 WeakPolarHBondContact O-CB 3.45Å; N343-T347 WeakPolarHBondContact O-CG2 3.39Å; N343-T347 PolarHBondContact O-N 3.45Å; N343-T347 PolarHBondContact O-OG1 3.27Å; S344-T347 PolarHBondContact O-OG1 3.33Å; I345-T347 PolarHBondContact O-N 3.01Å; T347-A349 PolarHBondContact O-N 3.13Å; T347-A349 WeakPolarHBondContact OG1-CB 3.37Å
348	C	85.4	Confident	80	Confident	32 Å²	32	52.6 Å²	52.6	22%	0.216	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.4	-171	-156.6	0	0	0	0	113.1	S344 I345 Y350 L369 L371	S344-C348 PolarHBondContact O-N 3.43Å; S344-C348 VanDerWaalsContact O-N 3.11Å; I345-C348 PolarHBondContact O-N 3.09Å; C348-Y350 PolarHBondContact O-N 3.36Å; C348-L369 PolarHBondContact SG-O 3.1Å; C348-L371 HydrophobicContact CB-CD1 4.15Å; C348-L371 HydrophobicContact CB-CD2 3.75Å; C348-L371 HydrophobicContact CB-CG 3.76Å
349	A	80.4	Confident	80	Confident	59 Å²	59	51.4 Å²	51.4	49%	0.488	32%	0.317	S	S	.	.			trans	-92.1	82.7	-178.2	0	0	0	0	0	110.5	S344 T347	S344-A349 PolarHBondContact O-N 3.28Å; S344-A349 PolarHBondContact OG-O 3.09Å; T347-A349 PolarHBondContact O-N 3.13Å; T347-A349 WeakPolarHBondContact OG1-CB 3.37Å
350	Y	85.5	Confident	80.2	Confident	52 Å²	52	51 Å²	51	20%	0.204	31%	0.307	C	S	.	.			trans	-112.3	155.4	168.6	66.5	-85.3	0	0	0	111	Y324 A332 F333 C348 I365 L369	Y324-Y350 AromaticContact CD2-CD2 3.89Å; Y324-Y350 HydrophobicContact CD2-CD2 3.89Å; Y324-Y350 HydrophobicContact CD2-CE2 4.14Å; Y324-Y350 AromaticContact CE2-CD2 3.59Å; Y324-Y350 HydrophobicContact CE2-CD2 3.59Å; Y324-Y350 HydrophobicContact CE2-CE2 4.13Å; A332-Y350 WeakPolarHBondContact O-CB 3.22Å; F333-Y350 AromaticContact CE1-CD1 3.79Å; F333-Y350 HydrophobicContact CE1-CD1 3.79Å; F333-Y350 HydrophobicContact CE1-CG 4.27Å; F333-Y350 AromaticContact CZ-CD1 3.84Å; F333-Y350 HydrophobicContact CZ-CD1 3.84Å; F333-Y350 HydrophobicContact CZ-CG 4.43Å; C348-Y350 PolarHBondContact O-N 3.36Å; Y350-I365 HydrophobicContact CE2-CG2 4.36Å; Y350-L369 HydrophobicContact CD1-CD1 4.14Å; Y350-L369 HydrophobicContact CD2-CD1 4.48Å; Y350-L369 HydrophobicContact CE1-CB 4.06Å; Y350-L369 HydrophobicContact CE1-CD1 3.81Å; Y350-L369 HydrophobicContact CE2-CD1 4.18Å; Y350-L369 HydrophobicContact CG-CD1 4.47Å
351	T	78.2	Confident	80.6	Confident	76 Å²	76	49.8 Å²	49.8	47%	0.466	30%	0.295	S	S	.	.			trans	-72.1	131.1	177.1	-59.7	0	0	0	0	108.9	Y324	Y324-T351 WeakPolarHBondContact CE2-O 3.17Å; Y324-T351 PolarHBondContact OH-O 3.37Å
352	P	77.3	Confident	80.7	Confident	36 Å²	36	51.7 Å²	51.7	23%	0.234	30%	0.303	C	S	.	.			trans	-56.1	145.9	175.2	-26.2	34.6	0	0	0	111.8	K354 E647	P352-K354 WeakPolarHBondContact O-CG 3.22Å; P352-K354 PolarHBondContact O-N 3.46Å; P352-E647 WeakPolarHBondContact CG-OE1 3.46Å
353	V	80.2	Confident	80.8	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	30%	0.304	C	S	.	.			trans	-64	111.1	-178.1	178.1	0	0	0	0	109.9	Y324 C327 Y357 K362 I365	Y324-V353 HydrophobicContact CD2-CG2 3.59Å; Y324-V353 HydrophobicContact CE2-CG2 3.7Å; C327-V353 HydrophobicContact CB-CG1 3.69Å; V353-Y357 HydrophobicContact CG1-CD2 3.62Å; V353-Y357 HydrophobicContact CG1-CE2 4.07Å; V353-K362 HydrophobicContact CB-CG 4.32Å; V353-K362 WeakPolarHBondContact O-CE 3.39Å; V353-I365 HydrophobicContact CG2-CD1 3.62Å
354	K	65	Low	81.2	Confident	138 Å²	138	47.7 Å²	47.7	60%	0.6	28%	0.279	S	S	*	.			trans	-93	121.5	176.3	-60.2	179	-176.5	-179.9	0	108.5	P352	P352-K354 WeakPolarHBondContact O-CG 3.22Å; P352-K354 PolarHBondContact O-N 3.46Å
355	G	67.8	Low	81.7	Confident	22 Å²	22	47 Å²	47	23%	0.227	27%	0.274	C	S	.	.	S	Bend	trans	162.6	-178.9	177.5	0	0	0	0	0	114.1	Y357	G355-Y357 PolarHBondContact O-N 3.19Å
356	P	78.6	Confident	81.8	Confident	110 Å²	110	49.4 Å²	49.4	71%	0.714	28%	0.283	S	S	*	.	S	Bend	trans	-73.3	13	179.4	34.3	-37	0	0	0	113.5
357	Y	84.4	Confident	82.2	Confident	8 Å²	8	48.9 Å²	48.9	3%	0.031	28%	0.28	C	S	.	.			trans	-77.6	143.7	-175.2	-49.4	-70.1	0	0	0	112.3	L227 L228 E230 I233 C327 V353 G355 K362	L227-Y357 HydrophobicContact CD1-CE2 4.46Å; L228-Y357 VanDerWaalsContact O-CE1 3.32Å; L228-Y357 WeakPolarHBondContact O-CE1 3.41Å; L228-Y357 PolarHBondContact O-OH 2.82Å; E230-Y357 HydrophobicContact CB-CD1 4.1Å; E230-Y357 HydrophobicContact CG-CD1 4.35Å; E230-Y357 VanDerWaalsContact OE2-CA 3.29Å; E230-Y357 WeakPolarHBondContact OE2-CA 3.46Å; I233-Y357 HydrophobicContact CD1-CD1 4.31Å; I233-Y357 HydrophobicContact CD1-CE1 3.52Å; C327-Y357 WeakPolarHBondContact CA-OH 3.48Å; C327-Y357 HydrophobicContact CB-CD2 4.24Å; C327-Y357 HydrophobicContact CB-CE2 3.83Å; C327-Y357 WeakPolarHBondContact O-CE2 3.23Å; C327-Y357 VanDerWaalsContact O-CZ 3.31Å; C327-Y357 PolarHBondContact O-OH 3.32Å; V353-Y357 HydrophobicContact CG1-CD2 3.62Å; V353-Y357 HydrophobicContact CG1-CE2 4.07Å; G355-Y357 PolarHBondContact O-N 3.19Å; Y357-K362 WeakPolarHBondContact O-CE 3.44Å; Y357-K362 PolarHBondContact O-NZ 3.21Å
358	S	82.3	Confident	82.8	Confident	29 Å²	29	45.1 Å²	45.1	20%	0.203	26%	0.257	C	S	.	.			trans	-60.8	159.6	179.5	75.2	0	0	0	0	113.1	E230 E360 M361 K362	E230-S358 WeakPolarHBondContact OE1-CB 3.36Å; E230-S358 PolarHBondContact OE1-OG 2.88Å; E230-S358 WeakPolarHBondContact OE2-CB 3.33Å; E230-S358 PolarHBondContact OE2-N 3.38Å; S358-E360 VanDerWaalsContact CB-OE2 3.31Å; S358-E360 WeakPolarHBondContact CB-OE2 3.08Å; S358-E360 PolarHBondContact O-N 3.4Å; S358-E360 PolarHBondContact OG-N 3.19Å; S358-E360 PolarHBondContact OG-OE2 2.77Å; S358-M361 PolarHBondContact O-N 3.35Å; S358-M361 PolarHBondContact OG-N 2.77Å; S358-K362 WeakPolarHBondContact O-CG 3.06Å; S358-K362 PolarHBondContact O-N 3.3Å
359	A	76.8	Confident	83.3	Confident	65 Å²	65	43.7 Å²	43.7	54%	0.537	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-33.5	173.8	0	0	0	0	0	110.8	K362 M363	A359-K362 PolarHBondContact O-N 3.16Å; A359-M363 WeakPolarHBondContact O-CB 3.33Å; A359-M363 VanDerWaalsContact O-CG 3.29Å; A359-M363 WeakPolarHBondContact O-CG 3.38Å; A359-M363 PolarHBondContact O-N 2.65Å
360	E	80.7	Confident	83.9	Confident	85 Å²	85	43 Å²	43	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-46.9	177.7	-62.8	88	157.2	0	0	111.5	S358 K362 M363 V364 R392	S358-E360 VanDerWaalsContact CB-OE2 3.31Å; S358-E360 WeakPolarHBondContact CB-OE2 3.08Å; S358-E360 PolarHBondContact O-N 3.4Å; S358-E360 PolarHBondContact OG-N 3.19Å; S358-E360 PolarHBondContact OG-OE2 2.77Å; E360-K362 PolarHBondContact O-N 3.44Å; E360-M363 WeakPolarHBondContact O-CB 3.43Å; E360-M363 PolarHBondContact O-N 3.35Å; E360-V364 WeakPolarHBondContact O-CG2 3.48Å; E360-V364 PolarHBondContact O-N 2.74Å; E360-R392 IonicContact OE1-CZ 2.64Å; E360-R392 IonicContact OE1-NH1 2.81Å; E360-R392 PolarHBondContact OE1-NH1 3.07Å; E360-R392 IonicContact OE1-NH2 2.79Å
361	M	85.5	Confident	84.1	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-43.9	176.4	-175.8	61.4	77.1	0	0	111.9	E230 I233 L323 S358 M363 V364 I365 L386	E230-M361 HydrophobicContact CG-CB 4.39Å; E230-M361 HydrophobicContact CG-CE 3.56Å; E230-M361 HydrophobicContact CG-CG 4.43Å; I233-M361 HydrophobicContact CB-CE 4.38Å; I233-M361 HydrophobicContact CG2-CE 4.01Å; I233-M361 HydrophobicContact CG2-SD 4.31Å; L323-M361 HydrophobicContact CD1-SD 3.76Å; L323-M361 HydrophobicContact CD2-SD 4.11Å; L323-M361 HydrophobicContact CG-SD 4.37Å; S358-M361 PolarHBondContact O-N 3.35Å; S358-M361 PolarHBondContact OG-N 2.77Å; M361-M363 VanDerWaalsContact C-N 3.32Å; M361-M363 PolarHBondContact O-N 2.71Å; M361-V364 PolarHBondContact O-N 2.89Å; M361-I365 PolarHBondContact O-N 3.46Å; M361-L386 HydrophobicContact SD-CD2 4.39Å
362	K	85.9	Confident	84.5	Confident	41 Å²	41	43.8 Å²	43.8	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-38.2	176.2	-70.1	165.7	177.2	152.7	0	112.1	V353 Y357 S358 A359 E360 I365 R366 E664	V353-K362 HydrophobicContact CB-CG 4.32Å; V353-K362 WeakPolarHBondContact O-CE 3.39Å; Y357-K362 WeakPolarHBondContact O-CE 3.44Å; Y357-K362 PolarHBondContact O-NZ 3.21Å; S358-K362 WeakPolarHBondContact O-CG 3.06Å; S358-K362 PolarHBondContact O-N 3.3Å; A359-K362 PolarHBondContact O-N 3.16Å; E360-K362 PolarHBondContact O-N 3.44Å; K362-I365 PolarHBondContact O-N 3.18Å; K362-R366 PolarHBondContact O-N 2.79Å; K362-R366 VanDerWaalsContact O-N 3.11Å; K362-E664 HydrophobicContact CD-CG 4.07Å; K362-E664 WeakPolarHBondContact CE-OE1 3.38Å; K362-E664 IonicContact NZ-OE1 2.83Å; K362-E664 PolarHBondContact NZ-OE1 3.31Å
363	M	84.3	Confident	85.1	Confident	63 Å²	63	43.3 Å²	43.3	31%	0.31	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-45.1	174.1	-81.8	-177.3	56.5	0	0	111.9	A359 E360 M361 I365 R366 E367 T718	A359-M363 WeakPolarHBondContact O-CB 3.33Å; A359-M363 VanDerWaalsContact O-CG 3.29Å; A359-M363 WeakPolarHBondContact O-CG 3.38Å; A359-M363 PolarHBondContact O-N 2.65Å; E360-M363 WeakPolarHBondContact O-CB 3.43Å; E360-M363 PolarHBondContact O-N 3.35Å; M361-M363 VanDerWaalsContact C-N 3.32Å; M361-M363 PolarHBondContact O-N 2.71Å; M363-I365 VanDerWaalsContact C-N 3.28Å; M363-I365 PolarHBondContact O-N 3.41Å; M363-R366 PolarHBondContact O-N 3.01Å; M363-R366 VanDerWaalsContact O-N 3.12Å; M363-E367 WeakPolarHBondContact O-CG 3.26Å; M363-E367 PolarHBondContact O-N 3.34Å; M363-T718 HydrophobicContact CE-CG2 4.06Å; M363-T718 HydrophobicContact SD-CG2 3.77Å
364	V	90.7	Very high	85.6	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-44.2	178.4	176.4	0	0	0	0	110.9	L323 E360 M361 R366 E367 L368 M385 L386	L323-V364 HydrophobicContact CD2-CB 4.22Å; L323-V364 HydrophobicContact CD2-CG1 3.7Å; E360-V364 WeakPolarHBondContact O-CG2 3.48Å; E360-V364 PolarHBondContact O-N 2.74Å; M361-V364 PolarHBondContact O-N 2.89Å; V364-R366 PolarHBondContact O-N 3.43Å; V364-E367 PolarHBondContact O-N 3.45Å; V364-L368 HydrophobicContact CG1-CD1 3.83Å; V364-L368 HydrophobicContact CG1-CG 4.4Å; V364-L368 VanDerWaalsContact O-CG 3.3Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 2.94Å; V364-M385 HydrophobicContact CG2-CB 3.79Å; V364-M385 HydrophobicContact CG2-CE 4Å; V364-L386 HydrophobicContact CG1-CD2 4.08Å; V364-L386 HydrophobicContact CG1-CG 4.2Å; V364-L386 HydrophobicContact CG2-CD2 4.16Å; V364-L386 HydrophobicContact CG2-CG 4.32Å
365	I	93.5	Very high	86.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-46.9	176.8	-66.3	169.1	0	0	0	111	L323 Y324 C327 Y350 V353 M361 K362 M363 E367 L368 L369	L323-I365 HydrophobicContact CB-CG1 4.19Å; L323-I365 HydrophobicContact CD2-CD1 4.28Å; L323-I365 HydrophobicContact CD2-CG1 3.44Å; L323-I365 VanDerWaalsContact CD2-CG1 3.44Å; L323-I365 HydrophobicContact CG-CD1 3.89Å; L323-I365 HydrophobicContact CG-CG1 3.47Å; L323-I365 VanDerWaalsContact CG-CG1 3.47Å; Y324-I365 HydrophobicContact CD2-CG2 4.2Å; C327-I365 HydrophobicContact CB-CD1 4.44Å; Y350-I365 HydrophobicContact CE2-CG2 4.36Å; V353-I365 HydrophobicContact CG2-CD1 3.62Å; M361-I365 PolarHBondContact O-N 3.46Å; K362-I365 PolarHBondContact O-N 3.18Å; M363-I365 VanDerWaalsContact C-N 3.28Å; M363-I365 PolarHBondContact O-N 3.41Å; I365-E367 PolarHBondContact O-N 3.14Å; I365-L368 PolarHBondContact O-N 2.92Å; I365-L369 HydrophobicContact CG2-CD1 3.81Å; I365-L369 HydrophobicContact CG2-CG 4.44Å; I365-L369 WeakPolarHBondContact O-CB 3.41Å; I365-L369 WeakPolarHBondContact O-CG 3.27Å; I365-L369 PolarHBondContact O-N 2.98Å
366	R	89.7	Confident	88.1	Confident	50 Å²	50	48.2 Å²	48.2	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-38.3	179.7	177.3	179.7	150.9	152.6	0.9	112.8	K362 M363 V364 Q370 S665 H700 H701	K362-R366 PolarHBondContact O-N 2.79Å; K362-R366 VanDerWaalsContact O-N 3.11Å; M363-R366 PolarHBondContact O-N 3.01Å; M363-R366 VanDerWaalsContact O-N 3.12Å; V364-R366 PolarHBondContact O-N 3.43Å; R366-Q370 PolarHBondContact O-NE2 2.96Å; R366-S665 PolarHBondContact NH1-O 2.72Å; R366-H700 PolarHBondContact NH2-O 2.94Å; R366-H701 VanDerWaalsContact NH2-C 3.32Å
367	E	91.7	Very high	88.8	Confident	60 Å²	60	43.4 Å²	43.4	28%	0.28	22%	0.22	S	C	.	.	H	α-helix	trans	-71	-36.6	177.4	-69.4	-56.6	127.3	0	0	111.7	M363 V364 I365 Q370 P377 M385	M363-E367 WeakPolarHBondContact O-CG 3.26Å; M363-E367 PolarHBondContact O-N 3.34Å; V364-E367 PolarHBondContact O-N 3.45Å; I365-E367 PolarHBondContact O-N 3.14Å; E367-Q370 WeakPolarHBondContact O-CG 3.39Å; E367-P377 HydrophobicContact CB-CG 4.15Å; E367-P377 WeakPolarHBondContact O-CD 3.4Å; E367-M385 HydrophobicContact CB-CE 3.88Å; E367-M385 HydrophobicContact CG-CE 3.63Å
368	L	95.8	Very high	89.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.9	-34.3	175.2	-69	170.8	0	0	0	112.6	M237 M316 L323 V364 I365 Q370 R376 P377 A382	M237-L368 HydrophobicContact CE-CD1 4.43Å; M316-L368 HydrophobicContact CB-CD2 4.17Å; M316-L368 HydrophobicContact CE-CD2 3.54Å; L323-L368 HydrophobicContact CD2-CD1 4.35Å; V364-L368 HydrophobicContact CG1-CD1 3.83Å; V364-L368 HydrophobicContact CG1-CG 4.4Å; V364-L368 VanDerWaalsContact O-CG 3.3Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 2.94Å; I365-L368 PolarHBondContact O-N 2.92Å; L368-Q370 PolarHBondContact O-N 3.39Å; L368-R376 WeakPolarHBondContact O-CD 3.29Å; L368-P377 HydrophobicContact CD2-CG 3.88Å; L368-P377 HydrophobicContact CG-CG 4.43Å; L368-A382 HydrophobicContact CD2-CB 4.4Å
369	L	95.8	Very high	89.9	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	42.8	-179	-61.7	-178.8	0	0	0	113.5	W317 F333 C348 Y350 I365	W317-L369 HydrophobicContact CD2-CD2 3.93Å; W317-L369 HydrophobicContact CE3-CD2 4.03Å; W317-L369 HydrophobicContact CG-CD2 4.47Å; W317-L369 HydrophobicContact CH2-CD2 4.41Å; W317-L369 HydrophobicContact CZ2-CD2 4.3Å; W317-L369 VanDerWaalsContact CZ3-C 3.48Å; W317-L369 HydrophobicContact CZ3-CB 4.21Å; W317-L369 HydrophobicContact CZ3-CD2 4.29Å; F333-L369 HydrophobicContact CE2-CD2 4.18Å; F333-L369 HydrophobicContact CZ-CD1 4.42Å; F333-L369 HydrophobicContact CZ-CD2 4.49Å; C348-L369 PolarHBondContact SG-O 3.1Å; Y350-L369 HydrophobicContact CD1-CD1 4.14Å; Y350-L369 HydrophobicContact CD2-CD1 4.48Å; Y350-L369 HydrophobicContact CE1-CB 4.06Å; Y350-L369 HydrophobicContact CE1-CD1 3.81Å; Y350-L369 HydrophobicContact CE2-CD1 4.18Å; Y350-L369 HydrophobicContact CG-CD1 4.47Å; I365-L369 HydrophobicContact CG2-CD1 3.81Å; I365-L369 HydrophobicContact CG2-CG 4.44Å; I365-L369 WeakPolarHBondContact O-CB 3.41Å; I365-L369 WeakPolarHBondContact O-CG 3.27Å; I365-L369 PolarHBondContact O-N 2.98Å
370	Q	92.7	Very high	90.6	Very high	44 Å²	44	43 Å²	43	21%	0.206	21%	0.213	C	C	.	.			trans	-82.3	136.8	171.9	-68.6	-65.5	-43.3	0	0	111.8	W317 R366 E367 L368 D372 K375 R376	W317-Q370 WeakPolarHBondContact CZ3-O 3.38Å; R366-Q370 PolarHBondContact O-NE2 2.96Å; E367-Q370 WeakPolarHBondContact O-CG 3.39Å; L368-Q370 PolarHBondContact O-N 3.39Å; Q370-D372 VanDerWaalsContact C-N 3.34Å; Q370-D372 PolarHBondContact O-N 3.46Å; Q370-K375 HydrophobicContact CB-CB 4.09Å; Q370-K375 HydrophobicContact CG-CB 4.09Å; Q370-R376 HydrophobicContact CB-CG 3.84Å; Q370-R376 PolarHBondContact O-NE 2.86Å; Q370-R376 PolarHBondContact O-NH2 2.85Å
371	L	89.3	Confident	91.1	Very high	76 Å²	76	43.9 Å²	43.9	40%	0.398	22%	0.218	S	C	.	.	S	Bend	trans	-61.1	-44.2	176.3	-73.8	175.6	0	0	0	111.7	P302 I345 C348 P373 R376	P302-L371 HydrophobicContact CB-CD2 4.1Å; P302-L371 HydrophobicContact CG-CD2 3.72Å; I345-L371 WeakPolarHBondContact O-CD2 3.32Å; C348-L371 HydrophobicContact CB-CD1 4.15Å; C348-L371 HydrophobicContact CB-CD2 3.75Å; C348-L371 HydrophobicContact CB-CG 3.76Å; L371-P373 WeakPolarHBondContact O-CD 3.29Å; L371-R376 PolarHBondContact O-NH2 3.41Å
372	D	87.1	Confident	91.3	Very high	69 Å²	69	43.4 Å²	43.4	37%	0.369	22%	0.215	S	C	.	.	S	Bend	trans	-77.1	116.8	175.8	-178.7	-5.5	0	0	0	110.3	Q370 Q374 K375	Q370-D372 VanDerWaalsContact C-N 3.34Å; Q370-D372 PolarHBondContact O-N 3.46Å; D372-Q374 PolarHBondContact O-N 3.09Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.41Å; D372-Q374 PolarHBondContact OD1-N 3.16Å; D372-K375 HydrophobicContact CB-CB 4.45Å; D372-K375 HydrophobicContact CB-CD 4.1Å; D372-K375 HydrophobicContact CB-CG 4.06Å; D372-K375 PolarHBondContact O-N 3.39Å; D372-K375 VanDerWaalsContact O-N 3.16Å
373	P	90.4	Very high	91.5	Very high	25 Å²	25	42.5 Å²	42.5	16%	0.162	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.6	179	-23.6	34.2	0	0	0	113.5	E303 K313 L371 K375 R376	E303-P373 HydrophobicContact CB-CG 4.24Å; E303-P373 HydrophobicContact CG-CG 4.22Å; K313-P373 HydrophobicContact CB-CB 3.77Å; K313-P373 WeakPolarHBondContact CD-O 3.46Å; K313-P373 HydrophobicContact CG-CB 4.24Å; K313-P373 WeakPolarHBondContact CG-O 3.39Å; K313-P373 PolarHBondContact NZ-O 3.09Å; L371-P373 WeakPolarHBondContact O-CD 3.29Å; P373-K375 VanDerWaalsContact C-N 3.29Å; P373-K375 PolarHBondContact O-N 3.11Å; P373-R376 PolarHBondContact O-N 3.42Å
374	Q	89.5	Confident	91.6	Very high	137 Å²	137	47.3 Å²	47.3	64%	0.64	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.3	-29.4	-177.8	-65.1	-59.3	-28	0	0	112.5	K313 D372	K313-Q374 PolarHBondContact NZ-O 3.4Å; D372-Q374 PolarHBondContact O-N 3.09Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.41Å; D372-Q374 PolarHBondContact OD1-N 3.16Å
375	K	89.8	Confident	91.3	Very high	132 Å²	132	50.4 Å²	50.4	57%	0.574	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-77.2	-21.3	178.3	-63.9	-174.9	-175.6	-178.4	0	113.6	Q370 D372 P373	Q370-K375 HydrophobicContact CB-CB 4.09Å; Q370-K375 HydrophobicContact CG-CB 4.09Å; D372-K375 HydrophobicContact CB-CB 4.45Å; D372-K375 HydrophobicContact CB-CD 4.1Å; D372-K375 HydrophobicContact CB-CG 4.06Å; D372-K375 PolarHBondContact O-N 3.39Å; D372-K375 VanDerWaalsContact O-N 3.16Å; P373-K375 VanDerWaalsContact C-N 3.29Å; P373-K375 PolarHBondContact O-N 3.11Å
376	R	95.4	Very high	90.8	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	25%	0.251	C	S	.	.	S	Bend	trans	-65.1	138.8	178.4	-60.5	178.1	-159.9	146.8	8.6	110.3	E303 K313 L368 Q370 L371 P373	E303-R376 IonicContact OE1-CZ 3.9Å; E303-R376 IonicContact OE1-NH1 3.03Å; E303-R376 PolarHBondContact OE1-NH1 2.87Å; E303-R376 IonicContact OE1-NH2 2.55Å; E303-R376 IonicContact OE2-CZ 2.89Å; E303-R376 IonicContact OE2-NH1 3.8Å; E303-R376 PolarHBondContact OE2-NH1 2.77Å; E303-R376 IonicContact OE2-NH2 3.76Å; E303-R376 PolarHBondContact OE2-NH2 3.19Å; K313-R376 HydrophobicContact CD-CB 4.34Å; K313-R376 PolarHBondContact NZ-O 3.07Å; K313-R376 WeakPolarHBondContact O-CD 3.39Å; K313-R376 PolarHBondContact O-NH1 3.06Å; L368-R376 WeakPolarHBondContact O-CD 3.29Å; Q370-R376 HydrophobicContact CB-CG 3.84Å; Q370-R376 PolarHBondContact O-NE 2.86Å; Q370-R376 PolarHBondContact O-NH2 2.85Å; L371-R376 PolarHBondContact O-NH2 3.41Å; P373-R376 PolarHBondContact O-N 3.42Å
377	P	94.6	Very high	90.2	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.065	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.8	150.6	174.9	28	-33.3	0	0	0	110.6	M316 E367 L368 Q381 A382 M385	M316-P377 WeakPolarHBondContact CG-O 3.39Å; E367-P377 HydrophobicContact CB-CG 4.15Å; E367-P377 WeakPolarHBondContact O-CD 3.4Å; L368-P377 HydrophobicContact CD2-CG 3.88Å; L368-P377 HydrophobicContact CG-CG 4.43Å; P377-Q381 HydrophobicContact CB-CB 3.78Å; P377-A382 HydrophobicContact CG-CB 4.46Å; P377-M385 HydrophobicContact CB-SD 4.29Å; P377-M385 HydrophobicContact CG-SD 4.27Å
378	S	95.6	Very high	88.3	Confident	41 Å²	41	58.1 Å²	58.1	29%	0.287	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.2	165.8	67	0	0	0	0	111	Q381 A382	S378-Q381 WeakPolarHBondContact O-CA 3.44Å; S378-Q381 WeakPolarHBondContact O-CB 3.49Å; S378-Q381 PolarHBondContact O-N 3.46Å; S378-Q381 WeakPolarHBondContact OG-CG 3.14Å; S378-Q381 PolarHBondContact OG-OE1 3.14Å; S378-A382 PolarHBondContact O-N 3.17Å
379	A	93.1	Very high	85.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55	-42.4	178	0	0	0	0	0	113.8	V244 A245 M316 Q381 A382 L383	V244-A379 HydrophobicContact CB-CB 4.34Å; V244-A379 HydrophobicContact CG1-CB 4.09Å; A245-A379 HydrophobicContact CB-CB 3.73Å; M316-A379 HydrophobicContact CE-CB 4.14Å; M316-A379 HydrophobicContact SD-CB 3.77Å; A379-Q381 VanDerWaalsContact C-N 3.33Å; A379-Q381 PolarHBondContact O-N 3.4Å; A379-A382 PolarHBondContact O-N 2.88Å; A379-L383 WeakPolarHBondContact O-CG 3.49Å; A379-L383 PolarHBondContact O-N 3.42Å
380	P	91.8	Very high	83.1	Confident	52 Å²	52	71.7 Å²	71.7	34%	0.338	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-33	171.6	-25.7	35.1	0	0	0	114.7	A245 K384	A245-P380 HydrophobicContact CB-CG 4.08Å; P380-K384 WeakPolarHBondContact O-CG 3.31Å; P380-K384 PolarHBondContact O-N 2.86Å
381	Q	90.9	Very high	80.4	Confident	104 Å²	104	76 Å²	76	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-71.8	-44.1	176.2	-71.6	170.6	-26.4	0	0	110.9	P377 S378 A379 L383 K384 M385	P377-Q381 HydrophobicContact CB-CB 3.78Å; S378-Q381 WeakPolarHBondContact O-CA 3.44Å; S378-Q381 WeakPolarHBondContact O-CB 3.49Å; S378-Q381 PolarHBondContact O-N 3.46Å; S378-Q381 WeakPolarHBondContact OG-CG 3.14Å; S378-Q381 PolarHBondContact OG-OE1 3.14Å; A379-Q381 VanDerWaalsContact C-N 3.33Å; A379-Q381 PolarHBondContact O-N 3.4Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.2Å; Q381-K384 WeakPolarHBondContact O-CB 3.36Å; Q381-K384 PolarHBondContact O-N 3.12Å; Q381-K384 VanDerWaalsContact O-N 3.1Å; Q381-M385 WeakPolarHBondContact O-CG 3.42Å; Q381-M385 PolarHBondContact O-N 2.89Å; Q381-M385 VanDerWaalsContact O-N 3.16Å
382	A	90.7	Very high	77.7	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-40.3	175.5	0	0	0	0	0	111.9	M316 L368 P377 S378 A379 K384 M385 L386	M316-A382 HydrophobicContact CE-CB 3.98Å; L368-A382 HydrophobicContact CD2-CB 4.4Å; P377-A382 HydrophobicContact CG-CB 4.46Å; S378-A382 PolarHBondContact O-N 3.17Å; A379-A382 PolarHBondContact O-N 2.88Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 3.11Å; A382-M385 WeakPolarHBondContact O-CB 3.5Å; A382-M385 PolarHBondContact O-N 3.18Å; A382-M385 VanDerWaalsContact O-N 3.08Å; A382-L386 WeakPolarHBondContact O-CG 3.35Å; A382-L386 PolarHBondContact O-N 3.32Å
383	L	88.2	Confident	75.1	Confident	21 Å²	21	85.8 Å²	85.8	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-56.3	-42.1	172.5	-80.5	170.3	0	0	0	113.1	I238 C241 A245 A379 Q381 M385 L386 R387	I238-L383 HydrophobicContact CB-CD2 4.37Å; I238-L383 HydrophobicContact CG2-CD2 3.97Å; I238-L383 VanDerWaalsContact O-CD2 3.29Å; I238-L383 WeakPolarHBondContact O-CD2 3.33Å; C241-L383 HydrophobicContact CB-CD1 4.43Å; C241-L383 HydrophobicContact CB-CD2 3.65Å; C241-L383 HydrophobicContact CB-CG 3.62Å; A245-L383 HydrophobicContact CB-CD1 4.47Å; A379-L383 WeakPolarHBondContact O-CG 3.49Å; A379-L383 PolarHBondContact O-N 3.42Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.2Å; L383-M385 VanDerWaalsContact C-N 3.27Å; L383-M385 PolarHBondContact O-N 3.42Å; L383-L386 PolarHBondContact O-N 3.02Å; L383-R387 WeakPolarHBondContact O-CG 3.1Å; L383-R387 PolarHBondContact O-N 3.46Å; L383-R387 VanDerWaalsContact O-N 3.09Å
384	K	86.7	Confident	72.2	Confident	164 Å²	164	93.1 Å²	93.1	71%	0.713	44%	0.444	S	S	*	.	H	α-helix	trans	-68.5	-27.6	177.8	-71.5	177.1	179.9	-178.4	0	112.7	P380 Q381 A382	P380-K384 WeakPolarHBondContact O-CG 3.31Å; P380-K384 PolarHBondContact O-N 2.86Å; Q381-K384 WeakPolarHBondContact O-CB 3.36Å; Q381-K384 PolarHBondContact O-N 3.12Å; Q381-K384 VanDerWaalsContact O-N 3.1Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 3.11Å
385	M	85.1	Confident	69.4	Low	68 Å²	68	95.9 Å²	95.9	34%	0.335	46%	0.456	S	S	.	.	H	α-helix	trans	-77.8	-34	176.6	-62.1	169.1	68.1	0	0	112.1	V364 E367 P377 Q381 A382 L383	V364-M385 HydrophobicContact CG2-CB 3.79Å; V364-M385 HydrophobicContact CG2-CE 4Å; E367-M385 HydrophobicContact CB-CE 3.88Å; E367-M385 HydrophobicContact CG-CE 3.63Å; P377-M385 HydrophobicContact CB-SD 4.29Å; P377-M385 HydrophobicContact CG-SD 4.27Å; Q381-M385 WeakPolarHBondContact O-CG 3.42Å; Q381-M385 PolarHBondContact O-N 2.89Å; Q381-M385 VanDerWaalsContact O-N 3.16Å; A382-M385 WeakPolarHBondContact O-CB 3.5Å; A382-M385 PolarHBondContact O-N 3.18Å; A382-M385 VanDerWaalsContact O-N 3.08Å; L383-M385 VanDerWaalsContact C-N 3.27Å; L383-M385 PolarHBondContact O-N 3.42Å
386	L	83	Confident	66.6	Low	20 Å²	20	95.2 Å²	95.2	11%	0.105	46%	0.463	C	S	.	.	H	α-helix	trans	-81.1	-28.5	-178.6	-73.9	162.7	0	0	0	113.8	M237 I238 M361 V364 A382 L383 P388	M237-L386 HydrophobicContact CB-CD1 3.68Å; M237-L386 HydrophobicContact CB-CD2 4.11Å; M237-L386 HydrophobicContact CE-CD1 4.49Å; I238-L386 HydrophobicContact CD1-CB 4.5Å; I238-L386 HydrophobicContact CG1-CB 3.9Å; M361-L386 HydrophobicContact SD-CD2 4.39Å; V364-L386 HydrophobicContact CG1-CD2 4.08Å; V364-L386 HydrophobicContact CG1-CG 4.2Å; V364-L386 HydrophobicContact CG2-CD2 4.16Å; V364-L386 HydrophobicContact CG2-CG 4.32Å; A382-L386 WeakPolarHBondContact O-CG 3.35Å; A382-L386 PolarHBondContact O-N 3.32Å; L383-L386 PolarHBondContact O-N 3.02Å; L386-P388 WeakPolarHBondContact O-CD 3.32Å
387	R	76.4	Confident	63.6	Low	155 Å²	155	101.2 Å²	101.2	59%	0.585	51%	0.505	S	S	*	.	S	Bend	trans	-71.7	124.3	176.3	-75	-179.5	179.5	175.7	1.8	109.6	I238 L383 S389	I238-R387 HydrophobicContact CD1-CG 4.27Å; L383-R387 WeakPolarHBondContact O-CG 3.1Å; L383-R387 PolarHBondContact O-N 3.46Å; L383-R387 VanDerWaalsContact O-N 3.09Å; R387-S389 PolarHBondContact O-N 3.24Å
388	P	51.9	Low	60.3	Low	98 Å²	98	103.6 Å²	103.6	64%	0.636	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.9	136.7	174.7	21.3	-29.9	0	0	0	109.5	L386 E390	L386-P388 WeakPolarHBondContact O-CD 3.32Å; P388-E390 PolarHBondContact O-N 3.18Å
389	S	43.4	Very low	57.4	Low	99 Å²	99	107.5 Å²	107.5	69%	0.692	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-46.4	126.9	162.4	-45.3	0	0	0	0	107.2	R387 N391	R387-S389 PolarHBondContact O-N 3.24Å; S389-N391 PolarHBondContact O-N 3.07Å
390	E	39.1	Very low	54.3	Low	189 Å²	189	115 Å²	115	88%	0.883	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	8.8	-171.6	-66.5	179.3	145.5	0	0	116.1	P388	P388-E390 PolarHBondContact O-N 3.18Å
391	N	37	Very low	51.5	Low	133 Å²	133	124.5 Å²	124.5	71%	0.711	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	0.8	-175.5	-76.6	-7.9	0	0	0	116	S389	S389-N391 PolarHBondContact O-N 3.07Å
392	R	32.2	Very low	48.7	Very low	182 Å²	182	123.3 Å²	123.3	69%	0.687	63%	0.628	S	S	*	*	S	Bend	trans	-93.4	-11.8	-175.6	-83.7	-172.8	175.4	168	4.9	116.5	E360	E360-R392 IonicContact OE1-CZ 2.64Å; E360-R392 IonicContact OE1-NH1 2.81Å; E360-R392 PolarHBondContact OE1-NH1 3.07Å; E360-R392 IonicContact OE1-NH2 2.79Å
393	H	31.9	Very low	46.5	Very low	170 Å²	170	127.3 Å²	127.3	79%	0.787	66%	0.656	S	S	*	*	S	Bend	trans	-133.5	73.3	175.2	-74.5	-15.4	0	0	0	113
394	R	28.8	Very low	44.7	Very low	179 Å²	179	130.4 Å²	130.4	68%	0.675	68%	0.676	S	S	*	*			trans	-140.3	68.9	155.7	-76.5	-166	179.5	175.6	2.4	111.4
395	H	32.6	Very low	43.7	Very low	195 Å²	195	124.8 Å²	124.8	90%	0.903	66%	0.658	S	S	*	*			trans	-101.2	63.8	148.7	-84.9	-60.7	0	0	0	109.4
396	T	30.2	Very low	43.5	Very low	117 Å²	117	123.4 Å²	123.4	72%	0.718	65%	0.65	S	S	*	*	S	Bend	trans	-159.1	111.3	151.4	44.7	0	0	0	0	107.9
397	S	31.8	Very low	43.6	Very low	128 Å²	128	122.6 Å²	122.6	90%	0.895	65%	0.645	S	S	*	*			trans	22.3	104.9	154.6	56.6	0	0	0	0	117.8
398	G	25.6	Very low	44.1	Very low	60 Å²	60	117.2 Å²	117.2	62%	0.619	63%	0.63	S	S	*	*			trans	165.7	92.6	167.1	0	0	0	0	0	112.6	M400	G398-M400 PolarHBondContact O-N 3.33Å
399	S	36	Very low	45.8	Very low	124 Å²	124	112.7 Å²	112.7	87%	0.867	60%	0.601	S	S	*	*			trans	-44.4	114.8	173.2	-179.3	0	0	0	0	112.8
400	M	26.8	Very low	48	Very low	158 Å²	158	109 Å²	109	78%	0.778	57%	0.572	S	S	*	*			trans	-154.1	106	154.3	-145.2	162.6	157.3	0	0	107.5	G398 S402	G398-M400 PolarHBondContact O-N 3.33Å; M400-S402 PolarHBondContact O-N 2.79Å; M400-S402 VanDerWaalsContact O-N 3.16Å
401	R	32.8	Very low	50.4	Low	250 Å²	250	101.9 Å²	101.9	94%	0.943	54%	0.54	S	S	*	.			trans	-58.8	111.5	-175.8	-74.7	173.9	171.2	168.5	-3.7	110.6
402	S	33.1	Very low	52.9	Low	79 Å²	79	95.9 Å²	95.9	55%	0.552	51%	0.507	S	S	*	.			trans	-73.7	145.9	166.5	58.4	0	0	0	0	110.4	M400 V404	M400-S402 PolarHBondContact O-N 2.79Å; M400-S402 VanDerWaalsContact O-N 3.16Å; S402-V404 PolarHBondContact O-N 2.9Å
403	S	43.1	Very low	55.5	Low	84 Å²	84	91.3 Å²	91.3	59%	0.587	49%	0.494	S	S	*	.			trans	-44	125.9	176.9	52.8	0	0	0	0	112.9	S405	S403-S405 PolarHBondContact O-N 2.82Å
404	V	52.1	Low	58.1	Low	86 Å²	86	83.4 Å²	83.4	52%	0.521	46%	0.457	S	S	.	.			trans	-76.6	108.7	-173.5	-167.5	0	0	0	0	110.2	S402 F406	S402-V404 PolarHBondContact O-N 2.9Å; V404-F406 HydrophobicContact CB-CE1 4.44Å; V404-F406 HydrophobicContact CB-CE2 4.04Å; V404-F406 HydrophobicContact CB-CZ 3.84Å; V404-F406 HydrophobicContact CG1-CD1 4.04Å; V404-F406 HydrophobicContact CG1-CD2 4.42Å; V404-F406 HydrophobicContact CG1-CE1 3.36Å; V404-F406 HydrophobicContact CG1-CE2 3.79Å; V404-F406 HydrophobicContact CG1-CZ 3.22Å
405	S	64.9	Low	60.7	Low	47 Å²	47	77 Å²	77	33%	0.329	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.2	169.3	54.4	0	0	0	0	109.9	S403	S403-S405 PolarHBondContact O-N 2.82Å
406	F	80.9	Confident	62.9	Low	38 Å²	38	71.6 Å²	71.6	17%	0.167	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148	173.7	-54.7	-76.9	0	0	0	109.8	V404 R428 I429 D798 M799	V404-F406 HydrophobicContact CB-CE1 4.44Å; V404-F406 HydrophobicContact CB-CE2 4.04Å; V404-F406 HydrophobicContact CB-CZ 3.84Å; V404-F406 HydrophobicContact CG1-CD1 4.04Å; V404-F406 HydrophobicContact CG1-CD2 4.42Å; V404-F406 HydrophobicContact CG1-CE1 3.36Å; V404-F406 HydrophobicContact CG1-CE2 3.79Å; V404-F406 HydrophobicContact CG1-CZ 3.22Å; F406-R428 HydrophobicContact CD1-CB 3.51Å; F406-R428 HydrophobicContact CD1-CG 3.96Å; F406-R428 WeakPolarHBondContact CD1-O 3.05Å; F406-R428 HydrophobicContact CD2-CG 4.2Å; F406-R428 HydrophobicContact CE1-CB 3.48Å; F406-R428 VanDerWaalsContact CE1-CB 3.48Å; F406-R428 HydrophobicContact CE1-CG 3.88Å; F406-R428 HydrophobicContact CE2-CG 4.14Å; F406-R428 HydrophobicContact CG-CB 4.1Å; F406-R428 HydrophobicContact CG-CG 4.1Å; F406-R428 HydrophobicContact CZ-CB 4.06Å; F406-R428 HydrophobicContact CZ-CG 3.96Å; F406-I429 CarbonylContact C-O 3.58Å; F406-I429 WeakPolarHBondContact CA-O 3.49Å; F406-D798 WeakPolarHBondContact O-CA 3.27Å; F406-M799 PolarHBondContact N-O 2.79Å; F406-M799 VanDerWaalsContact N-O 3.14Å; F406-M799 PolarHBondContact O-N 2.92Å
407	T	85.8	Confident	65.4	Low	3 Å²	3	66.9 Å²	66.9	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	178.9	-44.2	0	0	0	0	109.8	I429 I431 A796 V797 D798	T407-I429 PolarHBondContact N-O 3.3Å; T407-I431 HydrophobicContact CG2-CB 3.92Å; T407-I431 HydrophobicContact CG2-CD1 3.88Å; T407-I431 HydrophobicContact CG2-CG1 4.05Å; T407-I431 PolarHBondContact OG1-N 3.16Å; T407-I431 VanDerWaalsContact OG1-N 3.12Å; T407-A796 HydrophobicContact CG2-CB 3.84Å; T407-V797 CarbonylContact C-O 3.54Å; T407-V797 WeakPolarHBondContact CA-O 3.32Å; T407-D798 VanDerWaalsContact CB-OD1 3.32Å; T407-D798 WeakPolarHBondContact CB-OD1 3.14Å; T407-D798 VanDerWaalsContact CG2-OD1 3.22Å; T407-D798 WeakPolarHBondContact CG2-OD1 3.44Å; T407-D798 PolarHBondContact OG1-OD1 3.25Å
408	T	85.4	Confident	67.7	Low	43 Å²	43	63.5 Å²	63.5	26%	0.264	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	168.1	-56.6	0	0	0	0	109.5	Y410 V797	T408-Y410 HydrophobicContact CG2-CD2 4.15Å; T408-Y410 HydrophobicContact CG2-CE1 4.13Å; T408-Y410 HydrophobicContact CG2-CE2 3.49Å; T408-Y410 VanDerWaalsContact CG2-CE2 3.49Å; T408-Y410 VanDerWaalsContact CG2-CZ 3.47Å; T408-V797 PolarHBondContact N-O 3.44Å; T408-V797 PolarHBondContact O-N 3.03Å
409	L	88.8	Confident	70.4	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.2	175.8	-167.4	63	0	0	0	110.3	I422 L425 I431 V434 V443 H794 A796	L409-I422 HydrophobicContact CB-CG1 4.19Å; L409-I422 HydrophobicContact CD2-CG1 4.04Å; L409-I422 HydrophobicContact CG-CG1 3.97Å; L409-I422 PolarHBondContact O-N 3.47Å; L409-I422 VanDerWaalsContact O-N 3.17Å; L409-L425 HydrophobicContact CB-CD2 3.82Å; L409-L425 HydrophobicContact CD2-CD2 4.25Å; L409-I431 HydrophobicContact CB-CD1 3.83Å; L409-I431 HydrophobicContact CD1-CD1 4.32Å; L409-I431 HydrophobicContact CG-CD1 4.47Å; L409-V434 HydrophobicContact CD1-CG1 4.48Å; L409-V434 HydrophobicContact CD1-CG2 3.8Å; L409-V434 HydrophobicContact CD2-CG1 4.42Å; L409-V434 HydrophobicContact CD2-CG2 4.38Å; L409-V443 HydrophobicContact CD2-CG2 3.59Å; L409-H794 HydrophobicContact CD1-CB 4Å; L409-A796 HydrophobicContact CD1-CB 4.07Å
410	Y	88.9	Confident	72.6	Confident	21 Å²	21	58.9 Å²	58.9	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.1	177.3	-63.7	-87.5	0	0	0	110.9	T408 L419 S420 H794 V795 V797 L805	T408-Y410 HydrophobicContact CG2-CD2 4.15Å; T408-Y410 HydrophobicContact CG2-CE1 4.13Å; T408-Y410 HydrophobicContact CG2-CE2 3.49Å; T408-Y410 VanDerWaalsContact CG2-CE2 3.49Å; T408-Y410 VanDerWaalsContact CG2-CZ 3.47Å; Y410-L419 HydrophobicContact CD1-CB 4.21Å; Y410-L419 HydrophobicContact CG-CB 4.43Å; Y410-S420 CarbonylContact C-O 3.34Å; Y410-S420 VanDerWaalsContact CA-O 3.22Å; Y410-S420 WeakPolarHBondContact CA-O 3.2Å; Y410-H794 CarbonylContact O-C 3.57Å; Y410-H794 VanDerWaalsContact O-CA 3.31Å; Y410-H794 WeakPolarHBondContact O-CA 3.45Å; Y410-V795 PolarHBondContact N-O 2.96Å; Y410-V795 PolarHBondContact O-N 3.2Å; Y410-V797 HydrophobicContact CD2-CB 4.46Å; Y410-V797 HydrophobicContact CD2-CG2 4.08Å; Y410-V797 HydrophobicContact CE2-CB 4.18Å; Y410-V797 HydrophobicContact CE2-CG2 4.17Å; Y410-L805 HydrophobicContact CE2-CD1 4.17Å; Y410-L805 VanDerWaalsContact OH-CD1 3.25Å; Y410-L805 WeakPolarHBondContact OH-CD1 3.22Å
411	D	89.3	Confident	75.3	Confident	40 Å²	40	55 Å²	55	21%	0.214	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.5	164.5	-170.2	67.7	0	0	0	108.8	L419 S420 I422 H794	D411-L419 WeakPolarHBondContact O-CA 3.46Å; D411-S420 PolarHBondContact N-O 3.25Å; D411-S420 PolarHBondContact O-N 3.06Å; D411-I422 HydrophobicContact CB-CD1 3.84Å; D411-H794 IonicContact OD1-CE1 3.19Å; D411-H794 PolarHBondContact OD1-CE1 2.95Å; D411-H794 IonicContact OD1-ND1 2.77Å
412	L	89.3	Confident	77.7	Confident	6 Å²	6	44 Å²	44	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.8	174.4	176.1	68.2	0	0	0	109.2	V414 I417 L419 L714 L722 I769 V793 V795	L412-V414 PolarHBondContact O-N 2.64Å; L412-V414 VanDerWaalsContact O-N 3.11Å; L412-I417 HydrophobicContact CD1-CG2 4.37Å; L412-L419 HydrophobicContact CB-CD2 3.75Å; L412-L419 HydrophobicContact CD1-CD2 3.78Å; L412-L419 HydrophobicContact CD1-CG 4.18Å; L412-L419 HydrophobicContact CG-CD2 4.35Å; L412-L714 HydrophobicContact CD2-CD1 4.36Å; L412-L714 HydrophobicContact CD2-CD2 4.47Å; L412-L722 HydrophobicContact CD2-CD2 4.38Å; L412-I769 HydrophobicContact CD2-CD1 3.96Å; L412-V793 HydrophobicContact CB-CB 4.03Å; L412-V793 HydrophobicContact CB-CG1 3.98Å; L412-V793 HydrophobicContact CD2-CB 4.45Å; L412-V793 HydrophobicContact CD2-CG1 4Å; L412-V793 PolarHBondContact N-O 2.9Å; L412-V795 HydrophobicContact CB-CG2 4.06Å
413	H	86.4	Confident	79.9	Confident	87 Å²	87	43.6 Å²	43.6	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	103.4	174.7	-172.6	-116.3	0	0	0	109.9	T416 I417 T418	H413-T416 PolarHBondContact ND1-OG1 3.16Å; H413-T416 PolarHBondContact O-N 3.34Å; H413-I417 VanDerWaalsContact O-CA 3.24Å; H413-I417 WeakPolarHBondContact O-CA 3.38Å; H413-I417 PolarHBondContact O-N 3.12Å; H413-T418 PolarHBondContact N-O 3.33Å; H413-T418 PolarHBondContact O-N 2.75Å
414	V	86.8	Confident	81.6	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-41.5	-173.2	180	0	0	0	0	114.4	L412 T416 I417 F712 F724 R791 V793	L412-V414 PolarHBondContact O-N 2.64Å; L412-V414 VanDerWaalsContact O-N 3.11Å; V414-T416 PolarHBondContact O-N 2.76Å; V414-I417 WeakPolarHBondContact O-CD1 3.38Å; V414-F712 HydrophobicContact CG1-CD1 4.17Å; V414-F712 HydrophobicContact CG1-CE1 4.21Å; V414-F712 HydrophobicContact CG2-CE1 4.11Å; V414-F712 HydrophobicContact CG2-CE2 4.41Å; V414-F712 HydrophobicContact CG2-CZ 3.88Å; V414-F724 HydrophobicContact CG1-CE2 3.72Å; V414-F724 HydrophobicContact CG1-CZ 3.89Å; V414-R791 VanDerWaalsContact CG1-NH2 3.3Å; V414-R791 WeakPolarHBondContact CG2-O 3.34Å; V414-V793 HydrophobicContact CG2-CG2 3.94Å
415	P	83.8	Confident	83.2	Confident	46 Å²	46	42 Å²	42	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-46.3	177.5	-30.5	38.4	0	0	0	113.9	K728 D729	P415-K728 VanDerWaalsContact CA-O 3.24Å; P415-K728 WeakPolarHBondContact CA-O 3.49Å; P415-K728 WeakPolarHBondContact CG-O 3.3Å; P415-D729 WeakPolarHBondContact CA-OD1 3.49Å; P415-D729 VanDerWaalsContact CB-OD1 3.26Å; P415-D729 WeakPolarHBondContact CB-OD1 3.3Å
416	T	79.4	Confident	83.9	Confident	80 Å²	80	42.4 Å²	42.4	49%	0.491	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-11.8	-175.3	56.3	0	0	0	0	113.2	H413 V414 T418	H413-T416 PolarHBondContact ND1-OG1 3.16Å; H413-T416 PolarHBondContact O-N 3.34Å; V414-T416 PolarHBondContact O-N 2.76Å; T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact OG1-OG1 2.89Å
417	I	82.2	Confident	83.1	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.097	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	50.5	-172.3	-51.8	-67.3	0	0	0	110.4	L412 H413 V414 F724 K728 I769	L412-I417 HydrophobicContact CD1-CG2 4.37Å; H413-I417 VanDerWaalsContact O-CA 3.24Å; H413-I417 WeakPolarHBondContact O-CA 3.38Å; H413-I417 PolarHBondContact O-N 3.12Å; V414-I417 WeakPolarHBondContact O-CD1 3.38Å; I417-F724 HydrophobicContact CD1-CD1 4.19Å; I417-F724 HydrophobicContact CD1-CD2 4.1Å; I417-F724 HydrophobicContact CD1-CE1 4.26Å; I417-F724 HydrophobicContact CD1-CE2 4.15Å; I417-F724 HydrophobicContact CD1-CG 4.12Å; I417-F724 HydrophobicContact CD1-CZ 4.24Å; I417-K728 HydrophobicContact CG1-CD 4.33Å; I417-I769 HydrophobicContact CG2-CB 3.59Å; I417-I769 HydrophobicContact CG2-CD1 3.84Å; I417-I769 HydrophobicContact CG2-CG1 4.34Å; I417-I769 HydrophobicContact CG2-CG2 3.68Å
418	T	80.5	Confident	82.5	Confident	57 Å²	57	52.2 Å²	52.2	35%	0.35	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.9	179.7	53.6	0	0	0	0	111.1	H413 T416	H413-T418 PolarHBondContact N-O 3.33Å; H413-T418 PolarHBondContact O-N 2.75Å; T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact OG1-OG1 2.89Å
419	L	81.6	Confident	82.4	Confident	25 Å²	25	50.6 Å²	50.6	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.7	175.9	-68.1	170.7	0	0	0	110.8	Y410 D411 L412 L770 V795	Y410-L419 HydrophobicContact CD1-CB 4.21Å; Y410-L419 HydrophobicContact CG-CB 4.43Å; D411-L419 WeakPolarHBondContact O-CA 3.46Å; L412-L419 HydrophobicContact CB-CD2 3.75Å; L412-L419 HydrophobicContact CD1-CD2 3.78Å; L412-L419 HydrophobicContact CD1-CG 4.18Å; L412-L419 HydrophobicContact CG-CD2 4.35Å; L419-L770 HydrophobicContact CD1-CD1 3.92Å; L419-L770 HydrophobicContact CD1-CD2 4.06Å; L419-V795 HydrophobicContact CD2-CB 4.09Å; L419-V795 HydrophobicContact CD2-CG2 3.88Å
420	S	82.6	Confident	82.4	Confident	62 Å²	62	51.5 Å²	51.5	43%	0.434	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.8	173.5	65.6	0	0	0	0	110.3	Y410 D411	Y410-S420 CarbonylContact C-O 3.34Å; Y410-S420 VanDerWaalsContact CA-O 3.22Å; Y410-S420 WeakPolarHBondContact CA-O 3.2Å; D411-S420 PolarHBondContact N-O 3.25Å; D411-S420 PolarHBondContact O-N 3.06Å
421	S	83.1	Confident	82.5	Confident	75 Å²	75	51.4 Å²	51.4	52%	0.524	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.3	179.4	57.2	0	0	0	0	111.1	P423	S421-P423 WeakPolarHBondContact O-CD 3.1Å
422	I	84.4	Confident	82.7	Confident	20 Å²	20	53.3 Å²	53.3	10%	0.103	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-66.2	124.4	174.3	-58.1	-59.7	0	0	0	110.5	L409 D411 L425 F453	L409-I422 HydrophobicContact CB-CG1 4.19Å; L409-I422 HydrophobicContact CD2-CG1 4.04Å; L409-I422 HydrophobicContact CG-CG1 3.97Å; L409-I422 PolarHBondContact O-N 3.47Å; L409-I422 VanDerWaalsContact O-N 3.17Å; D411-I422 HydrophobicContact CB-CD1 3.84Å; I422-L425 HydrophobicContact CG2-CB 4.45Å; I422-F453 HydrophobicContact CD1-CE2 4.2Å; I422-F453 HydrophobicContact CD1-CZ 4.14Å; I422-F453 HydrophobicContact CG1-CZ 4.21Å; I422-F453 HydrophobicContact CG2-CE1 3.98Å; I422-F453 HydrophobicContact CG2-CE2 4Å; I422-F453 HydrophobicContact CG2-CZ 3.69Å
423	P	79.4	Confident	82.9	Confident	71 Å²	71	55.9 Å²	55.9	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	146	178.8	-21.2	32.2	0	0	0	113.4	S421 L425 N471 G472	S421-P423 WeakPolarHBondContact O-CD 3.1Å; P423-L425 PolarHBondContact O-N 3Å; P423-N471 HydrophobicContact CB-CB 4.39Å; P423-G472 PolarHBondContact O-N 3.26Å
424	D	78.8	Confident	83.3	Confident	110 Å²	110	53 Å²	53	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	9	176.6	-51.3	-29.3	0	0	0	117.3	N471	D424-N471 HydrophobicContact CB-CB 3.76Å; D424-N471 WeakPolarHBondContact OD2-CB 3.2Å; D424-N471 PolarHBondContact OD2-ND2 2.82Å
425	L	84.3	Confident	83.8	Confident	25 Å²	25	53.3 Å²	53.3	13%	0.131	30%	0.302	C	S	.	.	S	Bend	trans	-70.6	133.7	166.2	-157.9	69.7	0	0	0	108.6	L409 I422 P423 S427 I429 I431 F451	L409-L425 HydrophobicContact CB-CD2 3.82Å; L409-L425 HydrophobicContact CD2-CD2 4.25Å; I422-L425 HydrophobicContact CG2-CB 4.45Å; P423-L425 PolarHBondContact O-N 3Å; L425-S427 PolarHBondContact O-N 2.79Å; L425-I429 HydrophobicContact CD1-CD1 4.14Å; L425-I429 HydrophobicContact CD2-CD1 3.62Å; L425-I429 HydrophobicContact CG-CD1 3.66Å; L425-I431 HydrophobicContact CD2-CD1 4.48Å; L425-F451 HydrophobicContact CD1-CB 3.89Å; L425-F451 HydrophobicContact CD1-CD1 4.08Å; L425-F451 HydrophobicContact CD1-CG 3.94Å
426	P	79.3	Confident	84.2	Confident	57 Å²	57	52.2 Å²	52.2	37%	0.37	29%	0.294	S	S	.	.			trans	-61.8	133.4	-174.3	-15	24.3	0	0	0	111	R428 I429 F451	P426-R428 PolarHBondContact O-N 2.85Å; P426-I429 HydrophobicContact CB-CG2 3.82Å; P426-I429 HydrophobicContact CG-CG2 3.92Å; P426-F451 HydrophobicContact CG-CE1 3.58Å; P426-F451 HydrophobicContact CG-CZ 3.73Å
427	S	65.5	Low	85	Confident	83 Å²	83	48.5 Å²	48.5	58%	0.58	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-1.3	-173.9	61.8	0	0	0	0	116	L425	L425-S427 PolarHBondContact O-N 2.79Å
428	R	72.6	Confident	85.4	Confident	164 Å²	164	52.3 Å²	52.3	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.8	54	-173.2	-74.7	-169	-174.8	-145.6	2.4	111.1	F406 P426	F406-R428 HydrophobicContact CD1-CB 3.51Å; F406-R428 HydrophobicContact CD1-CG 3.96Å; F406-R428 WeakPolarHBondContact CD1-O 3.05Å; F406-R428 HydrophobicContact CD2-CG 4.2Å; F406-R428 HydrophobicContact CE1-CB 3.48Å; F406-R428 VanDerWaalsContact CE1-CB 3.48Å; F406-R428 HydrophobicContact CE1-CG 3.88Å; F406-R428 HydrophobicContact CE2-CG 4.14Å; F406-R428 HydrophobicContact CG-CB 4.1Å; F406-R428 HydrophobicContact CG-CG 4.1Å; F406-R428 HydrophobicContact CZ-CB 4.06Å; F406-R428 HydrophobicContact CZ-CG 3.96Å; P426-R428 PolarHBondContact O-N 2.85Å
429	I	84.4	Confident	86.1	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.041	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-104.4	154.3	168.9	60.9	173.3	0	0	0	110.1	F406 T407 L425 P426 I431 V443 T445 F451	F406-I429 CarbonylContact C-O 3.58Å; F406-I429 WeakPolarHBondContact CA-O 3.49Å; T407-I429 PolarHBondContact N-O 3.3Å; L425-I429 HydrophobicContact CD1-CD1 4.14Å; L425-I429 HydrophobicContact CD2-CD1 3.62Å; L425-I429 HydrophobicContact CG-CD1 3.66Å; P426-I429 HydrophobicContact CB-CG2 3.82Å; P426-I429 HydrophobicContact CG-CG2 3.92Å; I429-I431 HydrophobicContact CD1-CD1 4Å; I429-I431 HydrophobicContact CD1-CG1 3.66Å; I429-I431 HydrophobicContact CG1-CG1 4.02Å; I429-V443 HydrophobicContact CD1-CG1 4.47Å; I429-T445 HydrophobicContact CB-CG2 3.92Å; I429-T445 HydrophobicContact CD1-CG2 4.15Å; I429-T445 HydrophobicContact CG2-CG2 4.17Å; I429-F451 HydrophobicContact CG2-CE2 4.46Å
430	S	88.8	Confident	86.8	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.161	27%	0.268	C	S	.	.			trans	-107.4	114	166.3	-176.7	0	0	0	0	107.4	T445 N446	S430-T445 CarbonylContact O-C 3.51Å; S430-T445 WeakPolarHBondContact O-CA 3.28Å; S430-T445 VanDerWaalsContact O-CB 3.27Å; S430-T445 WeakPolarHBondContact O-CB 3.43Å; S430-N446 PolarHBondContact O-N 2.83Å; S430-N446 PolarHBondContact OG-ND2 2.59Å
431	I	90.7	Very high	87.5	Confident	19 Å²	19	46.2 Å²	46.2	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.3	-173.5	-64.4	174.7	0	0	0	109.3	T407 L409 L425 I429 V434 V443	T407-I431 HydrophobicContact CG2-CB 3.92Å; T407-I431 HydrophobicContact CG2-CD1 3.88Å; T407-I431 HydrophobicContact CG2-CG1 4.05Å; T407-I431 PolarHBondContact OG1-N 3.16Å; T407-I431 VanDerWaalsContact OG1-N 3.12Å; L409-I431 HydrophobicContact CB-CD1 3.83Å; L409-I431 HydrophobicContact CD1-CD1 4.32Å; L409-I431 HydrophobicContact CG-CD1 4.47Å; L425-I431 HydrophobicContact CD2-CD1 4.48Å; I429-I431 HydrophobicContact CD1-CD1 4Å; I429-I431 HydrophobicContact CD1-CG1 3.66Å; I429-I431 HydrophobicContact CG1-CG1 4.02Å; I431-V434 HydrophobicContact CG2-CG2 3.67Å; I431-V443 HydrophobicContact CB-CG1 4.49Å; I431-V443 HydrophobicContact CD1-CG1 3.84Å; I431-V443 HydrophobicContact CG1-CG1 3.81Å; I431-V443 HydrophobicContact CG2-CG1 3.94Å
432	K	92.2	Very high	88.1	Confident	80 Å²	80	42.7 Å²	42.7	35%	0.348	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-45.3	173.6	-175.8	176.9	176.1	-175.9	0	111.3	L444 N446 I483 Q484	K432-L444 WeakPolarHBondContact CA-O 3.42Å; K432-L444 HydrophobicContact CB-CG 4.29Å; K432-L444 WeakPolarHBondContact CB-O 3.44Å; K432-L444 HydrophobicContact CD-CD2 3.96Å; K432-L444 HydrophobicContact CD-CG 4.28Å; K432-L444 HydrophobicContact CG-CD2 4.5Å; K432-L444 PolarHBondContact N-O 3.29Å; K432-N446 VanDerWaalsContact CB-OD1 3.31Å; K432-N446 WeakPolarHBondContact CB-OD1 3.41Å; K432-I483 PolarHBondContact NZ-O 2.79Å; K432-Q484 VanDerWaalsContact CE-O 3.27Å; K432-Q484 WeakPolarHBondContact CE-O 3.45Å; K432-Q484 PolarHBondContact NZ-O 3.21Å
433	Q	94	Very high	88.7	Confident	60 Å²	60	41.7 Å²	41.7	28%	0.28	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.8	-176	-169.2	-174.5	-1.1	0	0	111.3	L444 V486	Q433-L444 HydrophobicContact CB-CB 4.25Å; Q433-L444 PolarHBondContact N-O 3.42Å; Q433-L444 VanDerWaalsContact N-O 3.11Å; Q433-L444 PolarHBondContact O-N 3.28Å; Q433-V486 HydrophobicContact CG-CG1 4.4Å; Q433-V486 PolarHBondContact NE2-O 2.94Å
434	V	95.3	Very high	89.5	Confident	27 Å²	27	38.3 Å²	38.3	16%	0.164	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.4	169.3	-176.9	0	0	0	0	108.2	L409 I431 T441 A787 H794	L409-V434 HydrophobicContact CD1-CG1 4.48Å; L409-V434 HydrophobicContact CD1-CG2 3.8Å; L409-V434 HydrophobicContact CD2-CG1 4.42Å; L409-V434 HydrophobicContact CD2-CG2 4.38Å; I431-V434 HydrophobicContact CG2-CG2 3.67Å; V434-T441 HydrophobicContact CG1-CG2 4.07Å; V434-A787 HydrophobicContact CB-CB 4.28Å; V434-A787 HydrophobicContact CG1-CB 4.17Å; V434-H794 HydrophobicContact CG1-CB 4.23Å
435	A	96	Very high	90.2	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132	174.2	0	0	0	0	0	109.4	T441 M442 V486 V488	A435-T441 WeakPolarHBondContact O-CA 3.42Å; A435-M442 PolarHBondContact N-O 3.45Å; A435-M442 PolarHBondContact O-N 2.78Å; A435-V486 HydrophobicContact CB-CG1 3.96Å; A435-V486 HydrophobicContact CB-CG2 4.19Å; A435-V488 HydrophobicContact CB-CB 3.9Å; A435-V488 HydrophobicContact CB-CG2 3.48Å; A435-V488 VanDerWaalsContact CB-CG2 3.48Å
436	L	94.2	Very high	90.5	Very high	23 Å²	23	36 Å²	36	12%	0.12	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.5	-176.3	74.6	170.9	0	0	0	112.1	T441 A787 K792	L436-T441 HydrophobicContact CB-CG2 4.39Å; L436-A787 HydrophobicContact CD1-CB 4.37Å; L436-A787 HydrophobicContact CD2-CB 3.25Å; L436-A787 HydrophobicContact CG-CB 4.4Å; L436-K792 HydrophobicContact CD1-CB 4.49Å; L436-K792 HydrophobicContact CD1-CG 4.37Å
437	S	94.7	Very high	90.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.195	C	C	.	.			trans	-128.6	-174.1	165.9	69.1	0	0	0	0	110.4	T439 H440 G489 N490 S789	S437-T439 PolarHBondContact O-N 2.94Å; S437-T439 PolarHBondContact OG-N 2.94Å; S437-T439 PolarHBondContact OG-OG1 3.32Å; S437-H440 PolarHBondContact N-O 3.21Å; S437-H440 PolarHBondContact OG-N 3.22Å; S437-H440 PolarHBondContact OG-ND1 3.09Å; S437-G489 VanDerWaalsContact CB-C 3.46Å; S437-G489 WeakPolarHBondContact CB-O 3.38Å; S437-G489 PolarHBondContact OG-O 3.22Å; S437-N490 WeakPolarHBondContact CB-OD1 3.48Å; S437-S789 WeakPolarHBondContact CA-OG 3.23Å
438	K	91.2	Very high	92.2	Very high	100 Å²	100	36.8 Å²	36.8	44%	0.435	18%	0.178	S	C	.	.	S	Bend	trans	-64.4	-23.8	172.7	-63.4	-167.4	170.4	-162.7	0	112.4	N490 D710 S789	K438-N490 PolarHBondContact N-OD1 3.05Å; K438-D710 IonicContact NZ-OD2 2.81Å; K438-D710 PolarHBondContact NZ-OD2 3.25Å; K438-S789 PolarHBondContact N-OG 2.98Å
439	T	94.6	Very high	93.2	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	16%	0.161	C	C	.	.	S	Bend	trans	-96.1	-41	-172.4	61.2	0	0	0	0	112.8	S437 D455 N490 Y491	S437-T439 PolarHBondContact O-N 2.94Å; S437-T439 PolarHBondContact OG-N 2.94Å; S437-T439 PolarHBondContact OG-OG1 3.32Å; T439-D455 WeakPolarHBondContact O-CB 3.39Å; T439-D455 PolarHBondContact O-N 3.3Å; T439-N490 HydrophobicContact CG2-CB 4.13Å; T439-Y491 HydrophobicContact CG2-CD1 3.76Å; T439-Y491 HydrophobicContact CG2-CD2 4.03Å; T439-Y491 HydrophobicContact CG2-CE1 3.51Å; T439-Y491 HydrophobicContact CG2-CE2 3.8Å; T439-Y491 HydrophobicContact CG2-CG 4Å; T439-Y491 PolarHBondContact OG1-N 3.32Å; T439-Y491 VanDerWaalsContact OG1-N 3.09Å
440	H	96.3	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	172	-173.6	68.4	-69.6	0	0	0	113.6	S437 F453 Q460 L461 V488 G489 F492 S493	S437-H440 PolarHBondContact N-O 3.21Å; S437-H440 PolarHBondContact OG-N 3.22Å; S437-H440 PolarHBondContact OG-ND1 3.09Å; H440-F453 WeakPolarHBondContact CA-O 3.43Å; H440-F453 WeakPolarHBondContact CB-O 3.5Å; H440-Q460 HydrophobicContact CB-CG 4.49Å; H440-Q460 PolarHBondContact NE2-O 3.11Å; H440-L461 HydrophobicContact CB-CD2 3.79Å; H440-V488 WeakPolarHBondContact CE1-CG1 3.13Å; H440-V488 WeakPolarHBondContact NE2-CG1 3.5Å; H440-G489 PolarHBondContact CE1-O 3.33Å; H440-G489 VanDerWaalsContact CE1-O 3.26Å; H440-F492 PolarHBondContact CE1-O 2.97Å; H440-F492 VanDerWaalsContact CE1-O 3.29Å; H440-S493 PolarHBondContact NE2-OG 3.06Å
441	T	96.9	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.1	178.4	-60.6	0	0	0	0	109.6	V434 A435 L436 V443 G452 F453 K792 H794	V434-T441 HydrophobicContact CG1-CG2 4.07Å; A435-T441 WeakPolarHBondContact O-CA 3.42Å; L436-T441 HydrophobicContact CB-CG2 4.39Å; T441-V443 HydrophobicContact CG2-CG2 4.17Å; T441-G452 WeakPolarHBondContact O-CA 3.43Å; T441-F453 HydrophobicContact CG2-CE1 3.84Å; T441-F453 HydrophobicContact CG2-CE2 4.29Å; T441-F453 HydrophobicContact CG2-CZ 3.59Å; T441-F453 PolarHBondContact N-O 3.01Å; T441-F453 PolarHBondContact O-N 3.15Å; T441-K792 PolarHBondContact OG1-NZ 3.21Å; T441-H794 PolarHBondContact OG1-NE2 3.18Å; T441-H794 VanDerWaalsContact OG1-NE2 3.12Å
442	M	97.2	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134	172.8	-57.2	-63.9	-74.9	0	0	109.2	A435 L450 F451 G452 L461 V475 V486 V488 F505	A435-M442 PolarHBondContact N-O 3.45Å; A435-M442 PolarHBondContact O-N 2.78Å; M442-L450 HydrophobicContact CB-CD1 4.36Å; M442-L450 HydrophobicContact CE-CD1 4.29Å; M442-L450 HydrophobicContact CE-CD2 3.4Å; M442-L450 HydrophobicContact CE-CG 3.74Å; M442-F451 CarbonylContact C-O 3.56Å; M442-F451 VanDerWaalsContact CA-O 3.28Å; M442-F451 WeakPolarHBondContact CA-O 3.35Å; M442-G452 VanDerWaalsContact SD-CA 3.52Å; M442-L461 HydrophobicContact SD-CD2 3.8Å; M442-V475 HydrophobicContact CE-CG2 4.11Å; M442-V486 HydrophobicContact CB-CG2 3.8Å; M442-V486 HydrophobicContact CG-CG2 4.31Å; M442-V488 HydrophobicContact CB-CG2 3.75Å; M442-V488 HydrophobicContact CG-CG2 3.45Å; M442-V488 VanDerWaalsContact CG-CG2 3.45Å; M442-F505 HydrophobicContact CE-CE2 4.21Å; M442-F505 HydrophobicContact CE-CZ 4.05Å
443	V	96.6	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116	-177.6	-178.2	0	0	0	0	108.2	L409 I429 I431 T441 F451 F453	L409-V443 HydrophobicContact CD2-CG2 3.59Å; I429-V443 HydrophobicContact CD1-CG1 4.47Å; I431-V443 HydrophobicContact CB-CG1 4.49Å; I431-V443 HydrophobicContact CD1-CG1 3.84Å; I431-V443 HydrophobicContact CG1-CG1 3.81Å; I431-V443 HydrophobicContact CG2-CG1 3.94Å; T441-V443 HydrophobicContact CG2-CG2 4.17Å; V443-F451 HydrophobicContact CB-CB 4.32Å; V443-F451 PolarHBondContact N-O 2.87Å; V443-F451 PolarHBondContact O-N 2.89Å; V443-F453 HydrophobicContact CG2-CE1 4.03Å
444	L	95.5	Very high	94.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129	175.9	176.6	62.3	0	0	0	109.2	K432 Q433 L450 I483 V486	K432-L444 WeakPolarHBondContact CA-O 3.42Å; K432-L444 HydrophobicContact CB-CG 4.29Å; K432-L444 WeakPolarHBondContact CB-O 3.44Å; K432-L444 HydrophobicContact CD-CD2 3.96Å; K432-L444 HydrophobicContact CD-CG 4.28Å; K432-L444 HydrophobicContact CG-CD2 4.5Å; K432-L444 PolarHBondContact N-O 3.29Å; Q433-L444 HydrophobicContact CB-CB 4.25Å; Q433-L444 PolarHBondContact N-O 3.42Å; Q433-L444 VanDerWaalsContact N-O 3.11Å; Q433-L444 PolarHBondContact O-N 3.28Å; L444-L450 HydrophobicContact CB-CD1 4.14Å; L444-L450 HydrophobicContact CD1-CD1 4.43Å; L444-I483 HydrophobicContact CD1-CB 3.82Å; L444-I483 HydrophobicContact CD1-CG2 3.64Å; L444-I483 HydrophobicContact CD2-CG2 3.91Å; L444-I483 HydrophobicContact CG-CG2 4.42Å; L444-V486 HydrophobicContact CB-CG1 3.97Å
445	T	93.6	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	162.8	175.8	71	0	0	0	0	111.9	I429 S430 D447 N448 E449 F451	I429-T445 HydrophobicContact CB-CG2 3.92Å; I429-T445 HydrophobicContact CD1-CG2 4.15Å; I429-T445 HydrophobicContact CG2-CG2 4.17Å; S430-T445 CarbonylContact O-C 3.51Å; S430-T445 WeakPolarHBondContact O-CA 3.28Å; S430-T445 VanDerWaalsContact O-CB 3.27Å; S430-T445 WeakPolarHBondContact O-CB 3.43Å; T445-D447 PolarHBondContact O-N 2.99Å; T445-D447 PolarHBondContact OG1-N 3.31Å; T445-N448 PolarHBondContact O-N 3.45Å; T445-E449 HydrophobicContact CG2-CB 4.48Å; T445-E449 PolarHBondContact N-O 2.79Å; T445-E449 WeakPolarHBondContact OG1-CB 3.4Å; T445-E449 PolarHBondContact OG1-N 2.9Å; T445-E449 PolarHBondContact OG1-O 2.9Å; T445-F451 HydrophobicContact CG2-CD2 3.98Å; T445-F451 HydrophobicContact CG2-CE2 3.72Å
446	N	90.3	Very high	94.6	Very high	86 Å²	86	24.7 Å²	24.7	46%	0.46	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.8	171.5	-77.4	-39.6	0	0	0	112.7	S430 K432 N448	S430-N446 PolarHBondContact O-N 2.83Å; S430-N446 PolarHBondContact OG-ND2 2.59Å; K432-N446 VanDerWaalsContact CB-OD1 3.31Å; K432-N446 WeakPolarHBondContact CB-OD1 3.41Å; N446-N448 PolarHBondContact O-N 3.06Å
447	D	89.4	Confident	94.7	Very high	116 Å²	116	26.4 Å²	26.4	62%	0.62	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	12.4	171.3	-58.6	-48.7	0	0	0	112.3	T445 E449	T445-D447 PolarHBondContact O-N 2.99Å; T445-D447 PolarHBondContact OG1-N 3.31Å; D447-E449 PolarHBondContact O-N 3.18Å
448	N	91.4	Very high	94.7	Very high	41 Å²	41	27.3 Å²	27.3	22%	0.219	15%	0.148	C	C	.	.	S	Bend	trans	59	23.8	-177.6	-62.3	-27.8	0	0	0	114.3	T445 N446 D482 I483	T445-N448 PolarHBondContact O-N 3.45Å; N446-N448 PolarHBondContact O-N 3.06Å; N448-D482 PolarHBondContact ND2-OD1 2.9Å; N448-I483 PolarHBondContact OD1-O 2.81Å
449	E	93.5	Very high	94.9	Very high	55 Å²	55	22.6 Å²	22.6	26%	0.257	13%	0.127	S	C	.	.			trans	-89.8	139.6	173.2	-63.7	-168.1	139.6	0	0	110.6	T445 D447 F451 L474	T445-E449 HydrophobicContact CG2-CB 4.48Å; T445-E449 PolarHBondContact N-O 2.79Å; T445-E449 WeakPolarHBondContact OG1-CB 3.4Å; T445-E449 PolarHBondContact OG1-N 2.9Å; T445-E449 PolarHBondContact OG1-O 2.9Å; D447-E449 PolarHBondContact O-N 3.18Å; E449-F451 HydrophobicContact CB-CE2 3.83Å; E449-L474 HydrophobicContact CB-CD1 3.82Å; E449-L474 HydrophobicContact CG-CD1 4.29Å
450	L	96.1	Very high	95	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.2	-178.1	-170	72.6	0	0	0	110.8	M442 L444 V475 L478 I483 V486 I495	M442-L450 HydrophobicContact CB-CD1 4.36Å; M442-L450 HydrophobicContact CE-CD1 4.29Å; M442-L450 HydrophobicContact CE-CD2 3.4Å; M442-L450 HydrophobicContact CE-CG 3.74Å; L444-L450 HydrophobicContact CB-CD1 4.14Å; L444-L450 HydrophobicContact CD1-CD1 4.43Å; L450-V475 HydrophobicContact CD2-CG2 4.48Å; L450-V475 PolarHBondContact O-N 3.23Å; L450-L478 HydrophobicContact CD2-CD1 3.62Å; L450-I483 HydrophobicContact CB-CD1 3.95Å; L450-V486 HydrophobicContact CD1-CB 4.26Å; L450-V486 HydrophobicContact CD1-CG1 4.29Å; L450-V486 HydrophobicContact CD1-CG2 4.3Å; L450-I495 HydrophobicContact CD1-CD1 4.45Å; L450-I495 HydrophobicContact CD2-CD1 3.48Å; L450-I495 VanDerWaalsContact CD2-CD1 3.48Å; L450-I495 HydrophobicContact CD2-CG1 4.23Å
451	F	95.9	Very high	95.1	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.039	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.5	175.4	-63.2	-100.2	0	0	0	110.3	L425 P426 I429 M442 V443 T445 E449 R473 L474	L425-F451 HydrophobicContact CD1-CB 3.89Å; L425-F451 HydrophobicContact CD1-CD1 4.08Å; L425-F451 HydrophobicContact CD1-CG 3.94Å; P426-F451 HydrophobicContact CG-CE1 3.58Å; P426-F451 HydrophobicContact CG-CZ 3.73Å; I429-F451 HydrophobicContact CG2-CE2 4.46Å; M442-F451 CarbonylContact C-O 3.56Å; M442-F451 VanDerWaalsContact CA-O 3.28Å; M442-F451 WeakPolarHBondContact CA-O 3.35Å; V443-F451 HydrophobicContact CB-CB 4.32Å; V443-F451 PolarHBondContact N-O 2.87Å; V443-F451 PolarHBondContact O-N 2.89Å; T445-F451 HydrophobicContact CG2-CD2 3.98Å; T445-F451 HydrophobicContact CG2-CE2 3.72Å; E449-F451 HydrophobicContact CB-CE2 3.83Å; F451-R473 CarbonylContact C-O 3.58Å; F451-R473 VanDerWaalsContact CA-O 3.22Å; F451-R473 WeakPolarHBondContact CA-O 3.48Å; F451-L474 HydrophobicContact CD1-CB 4.19Å; F451-L474 HydrophobicContact CE1-CB 3.86Å; F451-L474 HydrophobicContact CE1-CD1 4.36Å; F451-L474 HydrophobicContact CE2-CD1 4.21Å; F451-L474 HydrophobicContact CZ-CB 4.35Å; F451-L474 HydrophobicContact CZ-CD1 4.06Å
452	G	95.9	Very high	95	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.7	-179.3	0	0	0	0	0	113	T441 M442 R473	T441-G452 WeakPolarHBondContact O-CA 3.43Å; M442-G452 VanDerWaalsContact SD-CA 3.52Å; G452-R473 PolarHBondContact N-O 3.29Å; G452-R473 PolarHBondContact O-N 3.27Å
453	F	96	Very high	94.9	Very high	11 Å²	11	24 Å²	24	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155	174.8	59.1	-82.3	0	0	0	112.2	I422 H440 T441 V443 N471	I422-F453 HydrophobicContact CD1-CE2 4.2Å; I422-F453 HydrophobicContact CD1-CZ 4.14Å; I422-F453 HydrophobicContact CG1-CZ 4.21Å; I422-F453 HydrophobicContact CG2-CE1 3.98Å; I422-F453 HydrophobicContact CG2-CE2 4Å; I422-F453 HydrophobicContact CG2-CZ 3.69Å; H440-F453 WeakPolarHBondContact CA-O 3.43Å; H440-F453 WeakPolarHBondContact CB-O 3.5Å; T441-F453 HydrophobicContact CG2-CE1 3.84Å; T441-F453 HydrophobicContact CG2-CE2 4.29Å; T441-F453 HydrophobicContact CG2-CZ 3.59Å; T441-F453 PolarHBondContact N-O 3.01Å; T441-F453 PolarHBondContact O-N 3.15Å; V443-F453 HydrophobicContact CG2-CE1 4.03Å; F453-N471 WeakPolarHBondContact CB-O 3.45Å
454	G	95.1	Very high	94.8	Very high	12 Å²	12	25.8 Å²	25.8	12%	0.124	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-158.8	-176.2	0	0	0	0	0	113.1	K468 M469	G454-K468 VanDerWaalsContact O-CG 3.27Å; G454-K468 WeakPolarHBondContact O-CG 3.36Å; G454-M469 PolarHBondContact N-O 3.31Å; G454-M469 PolarHBondContact O-N 3.35Å
455	D	95.5	Very high	94.7	Very high	47 Å²	47	29.8 Å²	29.8	25%	0.251	17%	0.168	S	C	.	.			trans	-61.9	144.4	171.1	-174	21.4	0	0	0	110.8	T439 S457 Q460 Y491	T439-D455 WeakPolarHBondContact O-CB 3.39Å; T439-D455 PolarHBondContact O-N 3.3Å; D455-S457 WeakPolarHBondContact OD1-CB 3.32Å; D455-S457 PolarHBondContact OD1-N 2.88Å; D455-S457 PolarHBondContact OD1-OG 3.47Å; D455-S457 PolarHBondContact OD2-OG 2.92Å; D455-Q460 VanDerWaalsContact C-NE2 3.35Å; D455-Q460 VanDerWaalsContact O-CD 3.24Å; D455-Q460 WeakPolarHBondContact O-CG 3.19Å; D455-Q460 PolarHBondContact O-NE2 3.08Å; D455-Q460 VanDerWaalsContact O-NE2 3.08Å; D455-Y491 WeakPolarHBondContact OD2-CE1 3.32Å
456	N	96.6	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-140.1	20.6	-179.6	-166.4	35.3	0	0	0	112	C458 G459 Q460 L461 K465 F466 S467	N456-C458 PolarHBondContact O-N 3.29Å; N456-C458 VanDerWaalsContact O-N 3.14Å; N456-G459 PolarHBondContact O-N 3.38Å; N456-G459 WeakPolarHBondContact OD1-CA 3.41Å; N456-Q460 VanDerWaalsContact CA-CD 3.42Å; N456-Q460 PolarHBondContact OD1-N 3.3Å; N456-Q460 VanDerWaalsContact OD1-N 3.16Å; N456-L461 HydrophobicContact CB-CB 4.47Å; N456-L461 HydrophobicContact CB-CD1 3.69Å; N456-L461 HydrophobicContact CB-CG 3.97Å; N456-L461 WeakPolarHBondContact OD1-CB 3.23Å; N456-L461 PolarHBondContact OD1-N 3.5Å; N456-K465 PolarHBondContact ND2-O 3.41Å; N456-F466 CarbonylContact C-O 3.22Å; N456-F466 CarbonylContact O-C 3.53Å; N456-F466 VanDerWaalsContact O-C 3.23Å; N456-F466 WeakPolarHBondContact O-CA 3.25Å; N456-S467 WeakPolarHBondContact CB-O 3.17Å; N456-S467 PolarHBondContact ND2-O 2.9Å
457	S	96.1	Very high	95	Very high	58 Å²	58	33.3 Å²	33.3	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.7	-179.1	53.1	0	0	0	0	114.6	D455 F466	D455-S457 WeakPolarHBondContact OD1-CB 3.32Å; D455-S457 PolarHBondContact OD1-N 2.88Å; D455-S457 PolarHBondContact OD1-OG 3.47Å; D455-S457 PolarHBondContact OD2-OG 2.92Å; S457-F466 WeakPolarHBondContact O-CD1 3.46Å
458	C	95.4	Very high	95.2	Very high	21 Å²	21	33.9 Å²	33.9	14%	0.142	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	4.1	176.4	-68.1	0	0	0	0	113.3	N456 G506	N456-C458 PolarHBondContact O-N 3.29Å; N456-C458 VanDerWaalsContact O-N 3.14Å; C458-G506 CarbonylContact O-C 3.5Å; C458-G506 VanDerWaalsContact O-CA 3.26Å; C458-G506 WeakPolarHBondContact O-CA 3.41Å
459	G	95.7	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	82.5	14.1	-176.8	0	0	0	0	0	114.4	N456 L461 G462 A521	N456-G459 PolarHBondContact O-N 3.38Å; N456-G459 WeakPolarHBondContact OD1-CA 3.41Å; G459-L461 PolarHBondContact O-N 2.99Å; G459-G462 PolarHBondContact O-N 2.97Å; G459-A521 WeakPolarHBondContact O-CA 3.32Å
460	Q	97	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-4.9	-173.9	65.3	-94.1	43.9	0	0	116	H440 D455 N456 Y491 S493 F505	H440-Q460 HydrophobicContact CB-CG 4.49Å; H440-Q460 PolarHBondContact NE2-O 3.11Å; D455-Q460 VanDerWaalsContact C-NE2 3.35Å; D455-Q460 VanDerWaalsContact O-CD 3.24Å; D455-Q460 WeakPolarHBondContact O-CG 3.19Å; D455-Q460 PolarHBondContact O-NE2 3.08Å; D455-Q460 VanDerWaalsContact O-NE2 3.08Å; N456-Q460 VanDerWaalsContact CA-CD 3.42Å; N456-Q460 PolarHBondContact OD1-N 3.3Å; N456-Q460 VanDerWaalsContact OD1-N 3.16Å; Q460-Y491 WeakPolarHBondContact CB-O 3.25Å; Q460-S493 WeakPolarHBondContact O-CB 3.22Å; Q460-S493 PolarHBondContact O-OG 3.39Å; Q460-F505 VanDerWaalsContact O-CD2 3.27Å; Q460-F505 WeakPolarHBondContact O-CD2 3.48Å; Q460-F505 WeakPolarHBondContact O-CE2 3.44Å
461	L	96.6	Very high	94.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.2	173.9	-62.5	-179.6	0	0	0	114.1	H440 M442 N456 G459 F463 M469 F505	H440-L461 HydrophobicContact CB-CD2 3.79Å; M442-L461 HydrophobicContact SD-CD2 3.8Å; N456-L461 HydrophobicContact CB-CB 4.47Å; N456-L461 HydrophobicContact CB-CD1 3.69Å; N456-L461 HydrophobicContact CB-CG 3.97Å; N456-L461 WeakPolarHBondContact OD1-CB 3.23Å; N456-L461 PolarHBondContact OD1-N 3.5Å; G459-L461 PolarHBondContact O-N 2.99Å; L461-F463 VanDerWaalsContact C-N 3.32Å; L461-F463 HydrophobicContact CB-CD2 3.38Å; L461-F463 HydrophobicContact CB-CE2 3.51Å; L461-F463 HydrophobicContact CD1-CD2 4.1Å; L461-F463 HydrophobicContact CD1-CE2 3.86Å; L461-F463 HydrophobicContact CG-CD2 4.39Å; L461-F463 HydrophobicContact CG-CE2 4.26Å; L461-F463 PolarHBondContact O-N 2.69Å; L461-M469 HydrophobicContact CD1-CB 3.63Å; L461-M469 HydrophobicContact CD1-CG 3.55Å; L461-F505 VanDerWaalsContact C-CE2 3.44Å
462	G	95.8	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.207	C	C	.	.			trans	76.4	12.1	172.9	0	0	0	0	0	115.8	G459 G464 S477 F505 A521	G459-G462 PolarHBondContact O-N 2.97Å; G462-G464 VanDerWaalsContact C-N 3.27Å; G462-G464 PolarHBondContact O-N 3.4Å; G462-S477 PolarHBondContact O-OG 2.97Å; G462-F505 VanDerWaalsContact N-CD2 3.26Å; G462-A521 CarbonylContact C-O 3.55Å; G462-A521 WeakPolarHBondContact CA-O 3.49Å
463	F	95.2	Very high	94.1	Very high	46 Å²	46	45.1 Å²	45.1	20%	0.202	23%	0.231	C	C	.	.	S	Bend	trans	-79.3	3.1	-178.3	-68.9	-66.1	0	0	0	115.2	L461 K465 M469 R473 L474 V475 A521	L461-F463 VanDerWaalsContact C-N 3.32Å; L461-F463 HydrophobicContact CB-CD2 3.38Å; L461-F463 HydrophobicContact CB-CE2 3.51Å; L461-F463 HydrophobicContact CD1-CD2 4.1Å; L461-F463 HydrophobicContact CD1-CE2 3.86Å; L461-F463 HydrophobicContact CG-CD2 4.39Å; L461-F463 HydrophobicContact CG-CE2 4.26Å; L461-F463 PolarHBondContact O-N 2.69Å; F463-K465 HydrophobicContact CB-CG 4Å; F463-K465 PolarHBondContact O-N 3.33Å; F463-M469 HydrophobicContact CB-CE 4.01Å; F463-M469 HydrophobicContact CD1-CE 3.9Å; F463-M469 HydrophobicContact CD2-CE 3.29Å; F463-M469 HydrophobicContact CD2-CG 3.84Å; F463-M469 HydrophobicContact CD2-SD 4.49Å; F463-M469 HydrophobicContact CE1-CE 4.17Å; F463-M469 HydrophobicContact CE2-CB 4.48Å; F463-M469 HydrophobicContact CE2-CE 3.62Å; F463-M469 HydrophobicContact CE2-CG 3.71Å; F463-M469 HydrophobicContact CG-CE 3.46Å; F463-M469 VanDerWaalsContact CG-CE 3.46Å; F463-M469 HydrophobicContact CZ-CE 4.06Å; F463-R473 HydrophobicContact CE1-CB 4.06Å; F463-R473 HydrophobicContact CZ-CB 3.77Å; F463-R473 WeakPolarHBondContact CZ-O 3.48Å; F463-L474 WeakPolarHBondContact CE1-O 3.18Å; F463-V475 HydrophobicContact CE1-CB 4.41Å; F463-V475 HydrophobicContact CE1-CG2 3.94Å; F463-V475 HydrophobicContact CZ-CG2 3.93Å; F463-A521 PolarHBondContact N-O 2.89Å
464	G	94.7	Very high	94	Very high	37 Å²	37	46.1 Å²	46.1	38%	0.381	24%	0.237	S	C	.	.	S	Bend	trans	71.6	15.8	-174.8	0	0	0	0	0	114.6	G462 A521	G462-G464 VanDerWaalsContact C-N 3.27Å; G462-G464 PolarHBondContact O-N 3.4Å; G464-A521 VanDerWaalsContact CA-O 3.27Å; G464-A521 WeakPolarHBondContact CA-O 3.39Å; G464-A521 PolarHBondContact N-O 3.5Å
465	K	93.7	Very high	94	Very high	84 Å²	84	45.6 Å²	45.6	37%	0.365	23%	0.231	S	C	.	.	S	Bend	trans	-145.3	166.9	178.1	62.8	-179.5	-175.1	157.6	0	110.9	N456 F463 S467 M469 A521	N456-K465 PolarHBondContact ND2-O 3.41Å; F463-K465 HydrophobicContact CB-CG 4Å; F463-K465 PolarHBondContact O-N 3.33Å; K465-S467 VanDerWaalsContact CD-OG 3.25Å; K465-S467 WeakPolarHBondContact CD-OG 3.22Å; K465-S467 WeakPolarHBondContact CE-OG 3.37Å; K465-S467 PolarHBondContact NZ-OG 2.89Å; K465-S467 VanDerWaalsContact NZ-OG 3.11Å; K465-M469 VanDerWaalsContact NZ-CE 3.31Å; K465-A521 WeakPolarHBondContact O-CB 3.29Å
466	F	95.3	Very high	93.9	Very high	109 Å²	109	49 Å²	49	48%	0.478	25%	0.246	S	C	.	.			trans	-107.5	10	-177.2	-61	-89.5	0	0	0	114	N456 S457 D519 A521	N456-F466 CarbonylContact C-O 3.22Å; N456-F466 CarbonylContact O-C 3.53Å; N456-F466 VanDerWaalsContact O-C 3.23Å; N456-F466 WeakPolarHBondContact O-CA 3.25Å; S457-F466 WeakPolarHBondContact O-CD1 3.46Å; F466-D519 HydrophobicContact CE1-CB 4.45Å; F466-A521 HydrophobicContact CD1-CB 4.43Å; F466-A521 HydrophobicContact CD2-CB 4.34Å; F466-A521 HydrophobicContact CE1-CB 4.07Å; F466-A521 HydrophobicContact CE2-CB 3.97Å; F466-A521 HydrophobicContact CZ-CB 3.82Å
467	S	94.2	Very high	93.7	Very high	51 Å²	51	52.4 Å²	52.4	36%	0.357	27%	0.27	S	S	.	.			trans	-80.7	133.8	179.7	65.7	0	0	0	0	111	N456 K465	N456-S467 WeakPolarHBondContact CB-O 3.17Å; N456-S467 PolarHBondContact ND2-O 2.9Å; K465-S467 VanDerWaalsContact CD-OG 3.25Å; K465-S467 WeakPolarHBondContact CD-OG 3.22Å; K465-S467 WeakPolarHBondContact CE-OG 3.37Å; K465-S467 PolarHBondContact NZ-OG 2.89Å; K465-S467 VanDerWaalsContact NZ-OG 3.11Å
468	K	93.5	Very high	93.6	Very high	127 Å²	127	49.9 Å²	49.9	55%	0.552	25%	0.251	S	S	*	.			trans	-47.6	145.5	170	-173.5	-175.4	179.2	-164.7	0	111.4	G454 E470	G454-K468 VanDerWaalsContact O-CG 3.27Å; G454-K468 WeakPolarHBondContact O-CG 3.36Å; K468-E470 IonicContact NZ-OE1 2.74Å
469	M	93.4	Very high	93.4	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.7	173.5	-61.9	-66.2	-140.7	0	0	109.1	G454 L461 F463 K465	G454-M469 PolarHBondContact N-O 3.31Å; G454-M469 PolarHBondContact O-N 3.35Å; L461-M469 HydrophobicContact CD1-CB 3.63Å; L461-M469 HydrophobicContact CD1-CG 3.55Å; F463-M469 HydrophobicContact CB-CE 4.01Å; F463-M469 HydrophobicContact CD1-CE 3.9Å; F463-M469 HydrophobicContact CD2-CE 3.29Å; F463-M469 HydrophobicContact CD2-CG 3.84Å; F463-M469 HydrophobicContact CD2-SD 4.49Å; F463-M469 HydrophobicContact CE1-CE 4.17Å; F463-M469 HydrophobicContact CE2-CB 4.48Å; F463-M469 HydrophobicContact CE2-CE 3.62Å; F463-M469 HydrophobicContact CE2-CG 3.71Å; F463-M469 HydrophobicContact CG-CE 3.46Å; F463-M469 VanDerWaalsContact CG-CE 3.46Å; F463-M469 HydrophobicContact CZ-CE 4.06Å; K465-M469 VanDerWaalsContact NZ-CE 3.31Å
470	E	87	Confident	92.9	Very high	141 Å²	141	58.3 Å²	58.3	66%	0.659	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-32.9	-176.3	-59.2	-165.3	144.7	0	0	112.6	K468	K468-E470 IonicContact NZ-OE1 2.74Å
471	N	87.3	Confident	92.6	Very high	49 Å²	49	64.6 Å²	64.6	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.1	-174	-48.9	-30.8	0	0	0	111.4	P423 D424 F453 R473	P423-N471 HydrophobicContact CB-CB 4.39Å; D424-N471 HydrophobicContact CB-CB 3.76Å; D424-N471 WeakPolarHBondContact OD2-CB 3.2Å; D424-N471 PolarHBondContact OD2-ND2 2.82Å; F453-N471 WeakPolarHBondContact CB-O 3.45Å; N471-R473 PolarHBondContact O-N 3.01Å
472	G	89.9	Confident	92.3	Very high	4 Å²	4	67.5 Å²	67.5	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	116.8	-178.2	0	0	0	0	0	112.2	P423	P423-G472 PolarHBondContact O-N 3.26Å
473	R	92.8	Very high	92.2	Very high	138 Å²	138	67.5 Å²	67.5	52%	0.521	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.9	178.8	-70.1	-171.2	179.2	-151.7	1.3	112.4	F451 G452 F463 N471	F451-R473 CarbonylContact C-O 3.58Å; F451-R473 VanDerWaalsContact CA-O 3.22Å; F451-R473 WeakPolarHBondContact CA-O 3.48Å; G452-R473 PolarHBondContact N-O 3.29Å; G452-R473 PolarHBondContact O-N 3.27Å; F463-R473 HydrophobicContact CE1-CB 4.06Å; F463-R473 HydrophobicContact CZ-CB 3.77Å; F463-R473 WeakPolarHBondContact CZ-O 3.48Å; N471-R473 PolarHBondContact O-N 3.01Å
474	L	94.1	Very high	92.1	Very high	31 Å²	31	69 Å²	69	16%	0.162	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128	175.9	-179.9	63.9	0	0	0	111	E449 F451 F463 E476 K479	E449-L474 HydrophobicContact CB-CD1 3.82Å; E449-L474 HydrophobicContact CG-CD1 4.29Å; F451-L474 HydrophobicContact CD1-CB 4.19Å; F451-L474 HydrophobicContact CE1-CB 3.86Å; F451-L474 HydrophobicContact CE1-CD1 4.36Å; F451-L474 HydrophobicContact CE2-CD1 4.21Å; F451-L474 HydrophobicContact CZ-CB 4.35Å; F451-L474 HydrophobicContact CZ-CD1 4.06Å; F463-L474 WeakPolarHBondContact CE1-O 3.18Å; L474-E476 VanDerWaalsContact C-N 3.34Å; L474-E476 PolarHBondContact O-N 2.84Å; L474-K479 HydrophobicContact CD2-CD 4.26Å
475	V	95.1	Very high	92.1	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	34%	0.34	C	S	.	.			trans	-79.4	82.7	173.8	-173.3	0	0	0	0	109.1	M442 L450 F463 S477 L478	M442-V475 HydrophobicContact CE-CG2 4.11Å; L450-V475 HydrophobicContact CD2-CG2 4.48Å; L450-V475 PolarHBondContact O-N 3.23Å; F463-V475 HydrophobicContact CE1-CB 4.41Å; F463-V475 HydrophobicContact CE1-CG2 3.94Å; F463-V475 HydrophobicContact CZ-CG2 3.93Å; V475-S477 WeakPolarHBondContact CG1-OG 3.24Å; V475-S477 PolarHBondContact O-N 3.17Å; V475-L478 HydrophobicContact CG1-CB 4.46Å; V475-L478 HydrophobicContact CG1-CD1 3.95Å; V475-L478 HydrophobicContact CG1-CG 4.09Å; V475-L478 PolarHBondContact O-N 3.06Å
476	E	92.8	Very high	92.3	Very high	120 Å²	120	63.7 Å²	63.7	56%	0.561	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-53.3	-31.3	-173.8	-66.9	-70	176.9	0	0	114.2	L474 L478 K479	L474-E476 VanDerWaalsContact C-N 3.34Å; L474-E476 PolarHBondContact O-N 2.84Å; E476-L478 PolarHBondContact O-N 3.03Å; E476-L478 VanDerWaalsContact O-N 3.17Å; E476-K479 WeakPolarHBondContact O-CB 3.39Å; E476-K479 PolarHBondContact O-N 2.84Å; E476-K479 WeakPolarHBondContact OE2-CD 3.17Å
477	S	92.4	Very high	92.4	Very high	71 Å²	71	58.8 Å²	58.8	50%	0.497	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-64.5	-17.3	178.9	58.2	0	0	0	0	114	G462 V475	G462-S477 PolarHBondContact O-OG 2.97Å; V475-S477 WeakPolarHBondContact CG1-OG 3.24Å; V475-S477 PolarHBondContact O-N 3.17Å
478	L	93.6	Very high	92.5	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-108.5	-0.5	179.4	-64.2	176.5	0	0	0	113	L450 V475 E476 G480 R481 I483 I495 L503 F505 P523	L450-L478 HydrophobicContact CD2-CD1 3.62Å; V475-L478 HydrophobicContact CG1-CB 4.46Å; V475-L478 HydrophobicContact CG1-CD1 3.95Å; V475-L478 HydrophobicContact CG1-CG 4.09Å; V475-L478 PolarHBondContact O-N 3.06Å; E476-L478 PolarHBondContact O-N 3.03Å; E476-L478 VanDerWaalsContact O-N 3.17Å; L478-G480 PolarHBondContact O-N 2.86Å; L478-R481 WeakPolarHBondContact O-CB 3.25Å; L478-R481 PolarHBondContact O-N 2.88Å; L478-R481 VanDerWaalsContact O-N 3.17Å; L478-I483 HydrophobicContact CB-CD1 4.19Å; L478-I495 HydrophobicContact CD1-CG1 4.22Å; L478-L503 HydrophobicContact CD2-CD1 3.49Å; L478-L503 VanDerWaalsContact CD2-CD1 3.49Å; L478-F505 HydrophobicContact CD1-CE1 4.34Å; L478-P523 HydrophobicContact CD1-CG 4.06Å; L478-P523 HydrophobicContact CD2-CB 3.9Å; L478-P523 HydrophobicContact CD2-CG 3.79Å; L478-P523 HydrophobicContact CG-CG 3.92Å
479	K	90.9	Very high	92.7	Very high	117 Å²	117	50.8 Å²	50.8	51%	0.509	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.6	-179.7	-170.2	175.7	-171	168.5	0	111.2	L474 E476 R481	L474-K479 HydrophobicContact CD2-CD 4.26Å; E476-K479 WeakPolarHBondContact O-CB 3.39Å; E476-K479 PolarHBondContact O-N 2.84Å; E476-K479 WeakPolarHBondContact OE2-CD 3.17Å; K479-R481 VanDerWaalsContact C-N 3.28Å; K479-R481 PolarHBondContact O-N 3.11Å
480	G	85.1	Confident	92.8	Very high	82 Å²	82	51 Å²	51	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	1.9	-179.3	0	0	0	0	0	114.9	L478	L478-G480 PolarHBondContact O-N 2.86Å
481	R	90.8	Very high	93.2	Very high	132 Å²	132	49 Å²	49	50%	0.498	25%	0.251	S	S	.	.	S	Bend	trans	-81.6	145.9	165.9	-64.6	-169.8	178.6	-92	0.3	110	L478 K479 I483	L478-R481 WeakPolarHBondContact O-CB 3.25Å; L478-R481 PolarHBondContact O-N 2.88Å; L478-R481 VanDerWaalsContact O-N 3.17Å; K479-R481 VanDerWaalsContact C-N 3.28Å; K479-R481 PolarHBondContact O-N 3.11Å; R481-I483 HydrophobicContact CB-CG1 4.3Å; R481-I483 PolarHBondContact O-N 2.98Å; R481-I483 VanDerWaalsContact O-N 3.14Å
482	D	91	Very high	93.7	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	24%	0.239	S	C	.	.			trans	-84.3	86.9	176.4	-172.6	16.5	0	0	0	109.7	N448 Q484 C497 D498	N448-D482 PolarHBondContact ND2-OD1 2.9Å; D482-Q484 VanDerWaalsContact CG-NE2 3.29Å; D482-Q484 PolarHBondContact OD1-NE2 3.37Å; D482-Q484 PolarHBondContact OD2-NE2 3.26Å; D482-C497 CarbonylContact O-C 3.39Å; D482-C497 VanDerWaalsContact O-CA 3.26Å; D482-C497 WeakPolarHBondContact O-CA 3.49Å; D482-D498 HydrophobicContact CB-CB 3.96Å; D482-D498 PolarHBondContact O-N 3.42Å
483	I	94.4	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.9	-177.1	-58	172.9	0	0	0	110	K432 L444 N448 L450 L478 R481 I495	K432-I483 PolarHBondContact NZ-O 2.79Å; L444-I483 HydrophobicContact CD1-CB 3.82Å; L444-I483 HydrophobicContact CD1-CG2 3.64Å; L444-I483 HydrophobicContact CD2-CG2 3.91Å; L444-I483 HydrophobicContact CG-CG2 4.42Å; N448-I483 PolarHBondContact OD1-O 2.81Å; L450-I483 HydrophobicContact CB-CD1 3.95Å; L478-I483 HydrophobicContact CB-CD1 4.19Å; R481-I483 HydrophobicContact CB-CG1 4.3Å; R481-I483 PolarHBondContact O-N 2.98Å; R481-I483 VanDerWaalsContact O-N 3.14Å; I483-I495 HydrophobicContact CB-CG2 4.37Å; I483-I495 HydrophobicContact CD1-CG2 4.21Å; I483-I495 HydrophobicContact CG1-CG2 4.02Å; I483-I495 HydrophobicContact CG2-CG2 3.55Å
484	Q	92.7	Very high	94.4	Very high	78 Å²	78	39.9 Å²	39.9	36%	0.364	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-47.5	-179.1	-63.6	-54.9	-29.2	0	0	112.5	K432 D482 C496	K432-Q484 VanDerWaalsContact CE-O 3.27Å; K432-Q484 WeakPolarHBondContact CE-O 3.45Å; K432-Q484 PolarHBondContact NZ-O 3.21Å; D482-Q484 VanDerWaalsContact CG-NE2 3.29Å; D482-Q484 PolarHBondContact OD1-NE2 3.37Å; D482-Q484 PolarHBondContact OD2-NE2 3.26Å; Q484-C496 PolarHBondContact N-O 2.92Å
485	S	94.8	Very high	94.5	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.6	177.8	66	0	0	0	0	112.7	C496 D536	S485-C496 PolarHBondContact N-O 2.94Å; S485-C496 PolarHBondContact O-N 3.35Å; S485-C496 WeakPolarHBondContact OG-CB 3.21Å; S485-D536 PolarHBondContact OG-OD1 3.27Å
486	V	97.1	Very high	94.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	177.7	52.9	0	0	0	0	110.7	Q433 A435 M442 L444 L450 V488 I495	Q433-V486 HydrophobicContact CG-CG1 4.4Å; Q433-V486 PolarHBondContact NE2-O 2.94Å; A435-V486 HydrophobicContact CB-CG1 3.96Å; A435-V486 HydrophobicContact CB-CG2 4.19Å; M442-V486 HydrophobicContact CB-CG2 3.8Å; M442-V486 HydrophobicContact CG-CG2 4.31Å; L444-V486 HydrophobicContact CB-CG1 3.97Å; L450-V486 HydrophobicContact CD1-CB 4.26Å; L450-V486 HydrophobicContact CD1-CG1 4.29Å; L450-V486 HydrophobicContact CD1-CG2 4.3Å; V486-V488 HydrophobicContact CG2-CG2 4.08Å; V486-I495 HydrophobicContact CB-CD1 3.9Å; V486-I495 HydrophobicContact CG2-CD1 3.52Å
487	G	97.2	Very high	94.5	Very high	5 Å²	5	33 Å²	33	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.9	172.7	0	0	0	0	0	110.2	S493 V494 I537 C539	G487-S493 WeakPolarHBondContact O-CA 3.43Å; G487-V494 PolarHBondContact N-O 2.81Å; G487-V494 PolarHBondContact O-N 2.61Å; G487-I537 VanDerWaalsContact N-CD1 3.35Å; G487-C539 VanDerWaalsContact CA-SG 3.59Å
488	V	97.6	Very high	94.2	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.1	-176.8	171	0	0	0	0	109.4	A435 H440 M442 V486 C539	A435-V488 HydrophobicContact CB-CB 3.9Å; A435-V488 HydrophobicContact CB-CG2 3.48Å; A435-V488 VanDerWaalsContact CB-CG2 3.48Å; H440-V488 WeakPolarHBondContact CE1-CG1 3.13Å; H440-V488 WeakPolarHBondContact NE2-CG1 3.5Å; M442-V488 HydrophobicContact CB-CG2 3.75Å; M442-V488 HydrophobicContact CG-CG2 3.45Å; M442-V488 VanDerWaalsContact CG-CG2 3.45Å; V486-V488 HydrophobicContact CG2-CG2 4.08Å; V488-C539 WeakPolarHBondContact O-CB 3.31Å
489	G	96.6	Very high	93.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-173	168.2	0	0	0	0	0	111.7	S437 H440 Y491 F492 G540	S437-G489 VanDerWaalsContact CB-C 3.46Å; S437-G489 WeakPolarHBondContact CB-O 3.38Å; S437-G489 PolarHBondContact OG-O 3.22Å; H440-G489 PolarHBondContact CE1-O 3.33Å; H440-G489 VanDerWaalsContact CE1-O 3.26Å; G489-Y491 PolarHBondContact O-N 3.23Å; G489-F492 PolarHBondContact N-O 2.96Å; G489-G540 WeakPolarHBondContact CA-O 3.36Å
490	N	94.9	Very high	93.2	Very high	15 Å²	15	38 Å²	38	8%	0.08	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	120.7	174.1	-68.9	-23	0	0	0	108.8	S437 K438 T439 F492 H541	S437-N490 WeakPolarHBondContact CB-OD1 3.48Å; K438-N490 PolarHBondContact N-OD1 3.05Å; T439-N490 HydrophobicContact CG2-CB 4.13Å; N490-F492 VanDerWaalsContact O-CD1 3.28Å; N490-F492 WeakPolarHBondContact O-CD1 3.49Å; N490-F492 PolarHBondContact O-N 3.21Å; N490-H541 WeakPolarHBondContact CB-O 3.36Å; N490-H541 PolarHBondContact N-O 2.67Å; N490-H541 WeakPolarHBondContact ND2-CB 3.47Å; N490-H541 VanDerWaalsContact ND2-CG 3.29Å; N490-H541 PolarHBondContact ND2-ND1 3.27Å
491	Y	96.5	Very high	93.5	Very high	99 Å²	99	36 Å²	36	39%	0.388	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	14.2	178.6	-45.6	-78.9	0	0	0	116	T439 D455 Q460 G489 G506 T507	T439-Y491 HydrophobicContact CG2-CD1 3.76Å; T439-Y491 HydrophobicContact CG2-CD2 4.03Å; T439-Y491 HydrophobicContact CG2-CE1 3.51Å; T439-Y491 HydrophobicContact CG2-CE2 3.8Å; T439-Y491 HydrophobicContact CG2-CG 4Å; T439-Y491 PolarHBondContact OG1-N 3.32Å; T439-Y491 VanDerWaalsContact OG1-N 3.09Å; D455-Y491 WeakPolarHBondContact OD2-CE1 3.32Å; Q460-Y491 WeakPolarHBondContact CB-O 3.25Å; G489-Y491 PolarHBondContact O-N 3.23Å; Y491-G506 CarbonylContact O-C 3.09Å; Y491-G506 VanDerWaalsContact O-CA 3.27Å; Y491-G506 WeakPolarHBondContact O-CA 3.33Å; Y491-T507 PolarHBondContact O-N 3.12Å
492	F	98	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.5	170.4	74	-82.7	0	0	0	113.4	H440 G489 N490 V494 F505 T507 N510 L511 C539 V544	H440-F492 PolarHBondContact CE1-O 2.97Å; H440-F492 VanDerWaalsContact CE1-O 3.29Å; G489-F492 PolarHBondContact N-O 2.96Å; N490-F492 VanDerWaalsContact O-CD1 3.28Å; N490-F492 WeakPolarHBondContact O-CD1 3.49Å; N490-F492 PolarHBondContact O-N 3.21Å; F492-V494 HydrophobicContact CD2-CG2 4.03Å; F492-V494 HydrophobicContact CE2-CG2 4.04Å; F492-F505 CarbonylContact C-O 3.5Å; F492-F505 WeakPolarHBondContact CA-O 3.4Å; F492-T507 HydrophobicContact CB-CG2 4.27Å; F492-T507 HydrophobicContact CD1-CG2 4.42Å; F492-N510 HydrophobicContact CB-CB 4.33Å; F492-N510 HydrophobicContact CD1-CB 3.35Å; F492-N510 VanDerWaalsContact CD1-ND2 3.34Å; F492-N510 WeakPolarHBondContact CD1-ND2 3.4Å; F492-N510 HydrophobicContact CD2-CB 4.04Å; F492-N510 HydrophobicContact CE1-CB 3.53Å; F492-N510 WeakPolarHBondContact CE1-ND2 3.47Å; F492-N510 HydrophobicContact CE2-CB 4.22Å; F492-N510 HydrophobicContact CG-CB 3.62Å; F492-N510 HydrophobicContact CZ-CB 3.97Å; F492-L511 HydrophobicContact CB-CD2 4.19Å; F492-C539 HydrophobicContact CE2-CB 4.25Å; F492-C539 HydrophobicContact CZ-CB 4.27Å; F492-V544 HydrophobicContact CD2-CG2 4.38Å; F492-V544 HydrophobicContact CE2-CG2 3.36Å; F492-V544 HydrophobicContact CZ-CG2 3.74Å
493	S	98.2	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.7	176.5	-88.1	0	0	0	0	110.6	H440 Q460 G487 T504 F505	H440-S493 PolarHBondContact NE2-OG 3.06Å; Q460-S493 WeakPolarHBondContact O-CB 3.22Å; Q460-S493 PolarHBondContact O-OG 3.39Å; G487-S493 WeakPolarHBondContact O-CA 3.43Å; S493-T504 WeakPolarHBondContact O-CA 3.4Å; S493-F505 PolarHBondContact N-O 2.91Å; S493-F505 PolarHBondContact O-N 3.07Å
494	V	98	Very high	94.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.2	176	-176.4	0	0	0	0	108.3	G487 F492 L502 L503 T504 I537 V544	G487-V494 PolarHBondContact N-O 2.81Å; G487-V494 PolarHBondContact O-N 2.61Å; F492-V494 HydrophobicContact CD2-CG2 4.03Å; F492-V494 HydrophobicContact CE2-CG2 4.04Å; V494-L502 HydrophobicContact CG1-CD1 4.42Å; V494-L503 CarbonylContact C-O 3.42Å; V494-L503 WeakPolarHBondContact CA-O 2.78Å; V494-T504 HydrophobicContact CB-CG2 4.42Å; V494-T504 HydrophobicContact CG1-CG2 4.05Å; V494-T504 HydrophobicContact CG2-CG2 4.01Å; V494-I537 HydrophobicContact CB-CD1 3.94Å; V494-I537 HydrophobicContact CG1-CD1 3.72Å; V494-I537 HydrophobicContact CG1-CG2 4.38Å; V494-I537 WeakPolarHBondContact O-CD1 3.42Å; V494-V544 HydrophobicContact CG2-CG1 4.43Å; V494-V544 HydrophobicContact CG2-CG2 4.11Å
495	I	97.3	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.3	-179.6	-52.6	-58.8	0	0	0	108.2	L450 L478 I483 V486 L502 L503 F505	L450-I495 HydrophobicContact CD1-CD1 4.45Å; L450-I495 HydrophobicContact CD2-CD1 3.48Å; L450-I495 VanDerWaalsContact CD2-CD1 3.48Å; L450-I495 HydrophobicContact CD2-CG1 4.23Å; L478-I495 HydrophobicContact CD1-CG1 4.22Å; I483-I495 HydrophobicContact CB-CG2 4.37Å; I483-I495 HydrophobicContact CD1-CG2 4.21Å; I483-I495 HydrophobicContact CG1-CG2 4.02Å; I483-I495 HydrophobicContact CG2-CG2 3.55Å; V486-I495 HydrophobicContact CB-CD1 3.9Å; V486-I495 HydrophobicContact CG2-CD1 3.52Å; I495-L502 CarbonylContact O-C 3.51Å; I495-L502 WeakPolarHBondContact O-CA 3Å; I495-L503 HydrophobicContact CB-CB 4.26Å; I495-L503 PolarHBondContact N-O 3.12Å; I495-L503 PolarHBondContact O-N 3.45Å; I495-F505 HydrophobicContact CD1-CE1 4.25Å; I495-F505 HydrophobicContact CD1-CZ 4.17Å; I495-F505 HydrophobicContact CG1-CE1 3.58Å; I495-F505 HydrophobicContact CG1-CZ 4.01Å
496	C	95.6	Very high	94.5	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.3	169.8	-170.1	0	0	0	0	108.9	Q484 S485 L502 I537	Q484-C496 PolarHBondContact N-O 2.92Å; S485-C496 PolarHBondContact N-O 2.94Å; S485-C496 PolarHBondContact O-N 3.35Å; S485-C496 WeakPolarHBondContact OG-CB 3.21Å; C496-L502 HydrophobicContact CB-CD2 3.7Å; C496-I537 HydrophobicContact CB-CD1 4.16Å; C496-I537 HydrophobicContact CB-CG1 4.22Å
497	C	92.5	Very high	94.4	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.041	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	178.6	175.1	-65.1	0	0	0	0	111	D482 G500 T501	D482-C497 CarbonylContact O-C 3.39Å; D482-C497 VanDerWaalsContact O-CA 3.26Å; D482-C497 WeakPolarHBondContact O-CA 3.49Å; C497-G500 PolarHBondContact O-N 3.37Å; C497-T501 PolarHBondContact N-O 2.61Å
498	D	86.2	Confident	94.2	Very high	64 Å²	64	24.5 Å²	24.5	34%	0.342	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-51.9	151	171.5	71.9	-45.6	0	0	0	112.6	D482 G500 T501	D482-D498 HydrophobicContact CB-CB 3.96Å; D482-D498 PolarHBondContact O-N 3.42Å; D498-G500 PolarHBondContact O-N 3.44Å; D498-G500 VanDerWaalsContact O-N 3.16Å; D498-T501 PolarHBondContact O-N 3.38Å; D498-T501 PolarHBondContact O-OG1 3.37Å
499	R	82	Confident	93.8	Very high	225 Å²	225	30.6 Å²	30.6	85%	0.849	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	59.6	22.4	-178.7	-49.5	175.9	179.3	-174.2	-3	114.1	T501	R499-T501 VanDerWaalsContact C-N 3.33Å; R499-T501 PolarHBondContact O-N 3.32Å
500	G	81.7	Confident	93.6	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	77.2	13.8	175.5	0	0	0	0	0	114.9	C497 D498 I534	C497-G500 PolarHBondContact O-N 3.37Å; D498-G500 PolarHBondContact O-N 3.44Å; D498-G500 VanDerWaalsContact O-N 3.16Å; G500-I534 WeakPolarHBondContact CA-O 3.01Å; G500-I534 WeakPolarHBondContact O-CG1 3.32Å
501	T	91.8	Very high	93.5	Very high	40 Å²	40	30.1 Å²	30.1	25%	0.245	14%	0.137	C	C	.	.			trans	-73	129.5	-179	-55.6	0	0	0	0	110.9	C497 D498 R499 L525 L530	C497-T501 PolarHBondContact N-O 2.61Å; D498-T501 PolarHBondContact O-N 3.38Å; D498-T501 PolarHBondContact O-OG1 3.37Å; R499-T501 VanDerWaalsContact C-N 3.33Å; R499-T501 PolarHBondContact O-N 3.32Å; T501-L525 HydrophobicContact CG2-CD1 3.3Å; T501-L530 HydrophobicContact CG2-CD2 4.34Å
502	L	96.2	Very high	93.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.8	178.4	-60.4	-168.6	0	0	0	113.1	V494 I495 C496 L526 L529 I534 I537 W556	V494-L502 HydrophobicContact CG1-CD1 4.42Å; I495-L502 CarbonylContact O-C 3.51Å; I495-L502 WeakPolarHBondContact O-CA 3Å; C496-L502 HydrophobicContact CB-CD2 3.7Å; L502-L526 HydrophobicContact CB-CB 4.18Å; L502-L526 HydrophobicContact CB-CD2 4.42Å; L502-L526 HydrophobicContact CD1-CD2 4.34Å; L502-L526 PolarHBondContact O-N 2.98Å; L502-L529 HydrophobicContact CD1-CD1 3.91Å; L502-I534 HydrophobicContact CD1-CG1 4.28Å; L502-I534 HydrophobicContact CD1-CG2 4.49Å; L502-I534 HydrophobicContact CD2-CB 4.47Å; L502-I534 HydrophobicContact CD2-CG2 4.13Å; L502-I534 HydrophobicContact CG-CG1 4.24Å; L502-I537 HydrophobicContact CD1-CG2 4.11Å; L502-I537 HydrophobicContact CD2-CG2 3.96Å; L502-W556 HydrophobicContact CD1-CH2 4.01Å
503	L	96.3	Very high	92.8	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.052	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.5	168.1	-54.2	176.1	0	0	0	110.1	L478 V494 I495 P523 M524 L525	L478-L503 HydrophobicContact CD2-CD1 3.49Å; L478-L503 VanDerWaalsContact CD2-CD1 3.49Å; V494-L503 CarbonylContact C-O 3.42Å; V494-L503 WeakPolarHBondContact CA-O 2.78Å; I495-L503 HydrophobicContact CB-CB 4.26Å; I495-L503 PolarHBondContact N-O 3.12Å; I495-L503 PolarHBondContact O-N 3.45Å; L503-P523 HydrophobicContact CB-CB 4.2Å; L503-P523 HydrophobicContact CD1-CB 4.29Å; L503-M524 CarbonylContact C-O 3.44Å; L503-M524 WeakPolarHBondContact CA-O 3.48Å; L503-L525 HydrophobicContact CD2-CB 4.11Å; L503-L525 HydrophobicContact CD2-CD1 3.98Å
504	T	97.2	Very high	92.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.3	-179.6	66	0	0	0	0	111.7	S493 V494 L511 M524 L526	S493-T504 WeakPolarHBondContact O-CA 3.4Å; V494-T504 HydrophobicContact CB-CG2 4.42Å; V494-T504 HydrophobicContact CG1-CG2 4.05Å; V494-T504 HydrophobicContact CG2-CG2 4.01Å; T504-L511 PolarHBondContact OG1-O 2.88Å; T504-M524 PolarHBondContact N-O 2.79Å; T504-M524 PolarHBondContact O-N 2.68Å; T504-L526 HydrophobicContact CG2-CD2 4.5Å
505	F	97.2	Very high	91.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.5	175.5	45.7	-85.3	0	0	0	111	M442 Q460 L461 G462 L478 F492 S493 I495 L511 S520 P523	M442-F505 HydrophobicContact CE-CE2 4.21Å; M442-F505 HydrophobicContact CE-CZ 4.05Å; Q460-F505 VanDerWaalsContact O-CD2 3.27Å; Q460-F505 WeakPolarHBondContact O-CD2 3.48Å; Q460-F505 WeakPolarHBondContact O-CE2 3.44Å; L461-F505 VanDerWaalsContact C-CE2 3.44Å; G462-F505 VanDerWaalsContact N-CD2 3.26Å; L478-F505 HydrophobicContact CD1-CE1 4.34Å; F492-F505 CarbonylContact C-O 3.5Å; F492-F505 WeakPolarHBondContact CA-O 3.4Å; S493-F505 PolarHBondContact N-O 2.91Å; S493-F505 PolarHBondContact O-N 3.07Å; I495-F505 HydrophobicContact CD1-CE1 4.25Å; I495-F505 HydrophobicContact CD1-CZ 4.17Å; I495-F505 HydrophobicContact CG1-CE1 3.58Å; I495-F505 HydrophobicContact CG1-CZ 4.01Å; F505-L511 VanDerWaalsContact C-CD2 3.48Å; F505-S520 WeakPolarHBondContact CB-O 3.38Å; F505-P523 HydrophobicContact CD1-CB 3.78Å; F505-P523 HydrophobicContact CD1-CG 3.82Å; F505-P523 HydrophobicContact CE1-CB 4.14Å; F505-P523 HydrophobicContact CE1-CG 3.97Å
506	G	97	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.5	-146.4	-170.3	0	0	0	0	0	113.1	C458 Y491 D519 S520	C458-G506 CarbonylContact O-C 3.5Å; C458-G506 VanDerWaalsContact O-CA 3.26Å; C458-G506 WeakPolarHBondContact O-CA 3.41Å; Y491-G506 CarbonylContact O-C 3.09Å; Y491-G506 VanDerWaalsContact O-CA 3.27Å; Y491-G506 WeakPolarHBondContact O-CA 3.33Å; G506-D519 CarbonylContact O-C 3.46Å; G506-D519 VanDerWaalsContact O-CA 3.3Å; G506-D519 WeakPolarHBondContact O-CA 3.46Å; G506-S520 PolarHBondContact N-O 2.63Å; G506-S520 PolarHBondContact O-N 3.37Å
507	T	95.1	Very high	91	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	23%	0.226	C	C	.	.			trans	-68.9	129.9	-174.4	-173.1	0	0	0	0	113.1	Y491 F492 K509 N510 L511 D519	Y491-T507 PolarHBondContact O-N 3.12Å; F492-T507 HydrophobicContact CB-CG2 4.27Å; F492-T507 HydrophobicContact CD1-CG2 4.42Å; T507-K509 PolarHBondContact O-N 2.52Å; T507-N510 HydrophobicContact CG2-CB 4.29Å; T507-N510 PolarHBondContact O-N 3.45Å; T507-N510 VanDerWaalsContact O-N 3.13Å; T507-L511 VanDerWaalsContact O-CG 3.27Å; T507-L511 WeakPolarHBondContact O-CG 3.04Å; T507-D519 VanDerWaalsContact CA-OD1 3.29Å; T507-D519 WeakPolarHBondContact CA-OD1 3.28Å; T507-D519 PolarHBondContact OG1-OD1 2.95Å
508	A	91.8	Very high	91	Very high	12 Å²	12	53.7 Å²	53.7	10%	0.099	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-49.2	-37.6	-177.2	0	0	0	0	0	113.9	N510 L511 A517 D519	A508-N510 PolarHBondContact O-N 3.13Å; A508-N510 VanDerWaalsContact O-N 3.12Å; A508-L511 PolarHBondContact O-N 3.09Å; A508-A517 HydrophobicContact CB-CB 4.08Å; A508-A517 WeakPolarHBondContact CB-O 3.37Å; A508-D519 PolarHBondContact N-OD1 3.16Å
509	K	89.8	Confident	91.3	Very high	137 Å²	137	54 Å²	54	60%	0.596	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.9	-27.8	-174.3	-64	-179.7	-177	175.2	0	113.1	T507 F573	T507-K509 PolarHBondContact O-N 2.52Å; K509-F573 HydrophobicContact CB-CE1 4.04Å; K509-F573 HydrophobicContact CG-CE1 4.22Å; K509-F573 VanDerWaalsContact O-CD1 3.31Å; K509-F573 WeakPolarHBondContact O-CD1 3.41Å
510	N	92.7	Very high	92	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.032	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-116.4	4.3	-172.2	-61.5	-26.9	0	0	0	112.9	F492 T507 A508 G512 D542 W556	F492-N510 HydrophobicContact CB-CB 4.33Å; F492-N510 HydrophobicContact CD1-CB 3.35Å; F492-N510 VanDerWaalsContact CD1-ND2 3.34Å; F492-N510 WeakPolarHBondContact CD1-ND2 3.4Å; F492-N510 HydrophobicContact CD2-CB 4.04Å; F492-N510 HydrophobicContact CE1-CB 3.53Å; F492-N510 WeakPolarHBondContact CE1-ND2 3.47Å; F492-N510 HydrophobicContact CE2-CB 4.22Å; F492-N510 HydrophobicContact CG-CB 3.62Å; F492-N510 HydrophobicContact CZ-CB 3.97Å; T507-N510 HydrophobicContact CG2-CB 4.29Å; T507-N510 PolarHBondContact O-N 3.45Å; T507-N510 VanDerWaalsContact O-N 3.13Å; A508-N510 PolarHBondContact O-N 3.13Å; A508-N510 VanDerWaalsContact O-N 3.12Å; N510-G512 PolarHBondContact O-N 2.88Å; N510-D542 PolarHBondContact OD1-O 3.17Å; N510-D542 VanDerWaalsContact OD1-O 3.06Å; N510-W556 PolarHBondContact O-NE1 3.26Å
511	L	92.3	Very high	92.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-79.8	-13.6	-176.8	-59	-169.9	0	0	0	114.4	F492 T504 F505 T507 A508 L513	F492-L511 HydrophobicContact CB-CD2 4.19Å; T504-L511 PolarHBondContact OG1-O 2.88Å; F505-L511 VanDerWaalsContact C-CD2 3.48Å; T507-L511 VanDerWaalsContact O-CG 3.27Å; T507-L511 WeakPolarHBondContact O-CG 3.04Å; A508-L511 PolarHBondContact O-N 3.09Å; L511-L513 HydrophobicContact CB-CB 4.42Å; L511-L513 HydrophobicContact CB-CD1 3.9Å; L511-L513 HydrophobicContact CB-CG 3.91Å; L511-L513 HydrophobicContact CD1-CD1 3.89Å; L511-L513 PolarHBondContact O-N 2.86Å
512	G	89.8	Confident	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	74	8.9	-175.1	0	0	0	0	0	114.1	N510 G514 L526 F573 P575	N510-G512 PolarHBondContact O-N 2.88Å; G512-G514 VanDerWaalsContact C-N 3.31Å; G512-G514 PolarHBondContact O-N 2.85Å; G512-L526 WeakPolarHBondContact O-CD1 3.1Å; G512-F573 CarbonylContact C-O 3.58Å; G512-F573 WeakPolarHBondContact CA-O 3.39Å; G512-P575 VanDerWaalsContact O-CD 3.31Å; G512-P575 WeakPolarHBondContact O-CD 3.45Å
513	L	90.3	Very high	92.8	Very high	57 Å²	57	50 Å²	50	30%	0.298	25%	0.251	S	S	.	.	S	Bend	trans	-86.8	2.8	-175.3	-64	173.8	0	0	0	113.8	L511 A517 M524 L526 F573	L511-L513 HydrophobicContact CB-CB 4.42Å; L511-L513 HydrophobicContact CB-CD1 3.9Å; L511-L513 HydrophobicContact CB-CG 3.91Å; L511-L513 HydrophobicContact CD1-CD1 3.89Å; L511-L513 PolarHBondContact O-N 2.86Å; L513-A517 HydrophobicContact CB-CB 3.77Å; L513-M524 HydrophobicContact CD1-CB 4.19Å; L513-L526 HydrophobicContact CD2-CD1 3.77Å; L513-L526 HydrophobicContact CG-CD1 4.45Å; L513-F573 PolarHBondContact N-O 3.48Å
514	G	87.7	Confident	92.8	Very high	18 Å²	18	53.4 Å²	53.4	19%	0.186	27%	0.268	C	S	.	.			trans	98.4	171.1	-176.6	0	0	0	0	0	113.9	G512 D516 A517 F573	G512-G514 VanDerWaalsContact C-N 3.31Å; G512-G514 PolarHBondContact O-N 2.85Å; G514-D516 VanDerWaalsContact C-N 3.31Å; G514-D516 PolarHBondContact O-N 3.26Å; G514-A517 WeakPolarHBondContact O-CB 3.46Å; G514-A517 PolarHBondContact O-N 2.97Å; G514-F573 WeakPolarHBondContact CA-O 3.44Å; G514-F573 PolarHBondContact N-O 3.33Å
515	K	86.2	Confident	92.6	Very high	170 Å²	170	56.6 Å²	56.6	74%	0.739	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.5	-170.3	-172.5	177.5	177.4	-179.1	0	113.9	A517 F573	K515-A517 VanDerWaalsContact C-N 3.34Å; K515-F573 HydrophobicContact CB-CB 4.44Å; K515-F573 HydrophobicContact CB-CD2 3.97Å; K515-F573 HydrophobicContact CB-CG 4.34Å; K515-F573 HydrophobicContact CG-CD2 4.01Å; K515-F573 HydrophobicContact CG-CE2 4.2Å
516	D	87.3	Confident	92.5	Very high	155 Å²	155	56.6 Å²	56.6	83%	0.829	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	8.7	-176.5	-55.4	-47.3	0	0	0	113.1	G514	G514-D516 VanDerWaalsContact C-N 3.31Å; G514-D516 PolarHBondContact O-N 3.26Å
517	A	89.6	Confident	92.2	Very high	27 Å²	27	63.3 Å²	63.3	22%	0.223	32%	0.317	C	S	.	.			trans	-64.6	156.9	177.3	0	0	0	0	0	111.8	A508 L513 G514 K515	A508-A517 HydrophobicContact CB-CB 4.08Å; A508-A517 WeakPolarHBondContact CB-O 3.37Å; L513-A517 HydrophobicContact CB-CB 3.77Å; G514-A517 WeakPolarHBondContact O-CB 3.46Å; G514-A517 PolarHBondContact O-N 2.97Å; K515-A517 VanDerWaalsContact C-N 3.34Å
518	K	92.2	Very high	92	Very high	177 Å²	177	67.5 Å²	67.5	77%	0.77	34%	0.335	S	S	*	.			trans	-113.6	155.6	174.3	-64.5	-177.7	-178.2	178.4	0	110.1	S520	K518-S520 PolarHBondContact O-N 2.92Å
519	D	94.3	Very high	92.1	Very high	70 Å²	70	67.5 Å²	67.5	37%	0.374	33%	0.333	S	S	.	.			trans	-55.4	136.5	173	-71.4	7.6	0	0	0	109.4	F466 G506 T507 A508	F466-D519 HydrophobicContact CE1-CB 4.45Å; G506-D519 CarbonylContact O-C 3.46Å; G506-D519 VanDerWaalsContact O-CA 3.3Å; G506-D519 WeakPolarHBondContact O-CA 3.46Å; T507-D519 VanDerWaalsContact CA-OD1 3.29Å; T507-D519 WeakPolarHBondContact CA-OD1 3.28Å; T507-D519 PolarHBondContact OG1-OD1 2.95Å; A508-D519 PolarHBondContact N-OD1 3.16Å
520	S	95.6	Very high	92.1	Very high	18 Å²	18	65.6 Å²	65.6	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.7	-176.7	-173.3	0	0	0	0	111.2	F505 G506 K518 K522 M524	F505-S520 WeakPolarHBondContact CB-O 3.38Å; G506-S520 PolarHBondContact N-O 2.63Å; G506-S520 PolarHBondContact O-N 3.37Å; K518-S520 PolarHBondContact O-N 2.92Å; S520-K522 VanDerWaalsContact C-N 3.29Å; S520-K522 PolarHBondContact OG-N 2.96Å; S520-K522 PolarHBondContact OG-O 2.85Å; S520-M524 WeakPolarHBondContact OG-CG 3.43Å
521	A	95.6	Very high	91.9	Very high	7 Å²	7	76.7 Å²	76.7	6%	0.058	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-4.4	170.3	0	0	0	0	0	113.8	G459 G462 F463 G464 K465 F466	G459-A521 WeakPolarHBondContact O-CA 3.32Å; G462-A521 CarbonylContact C-O 3.55Å; G462-A521 WeakPolarHBondContact CA-O 3.49Å; F463-A521 PolarHBondContact N-O 2.89Å; G464-A521 VanDerWaalsContact CA-O 3.27Å; G464-A521 WeakPolarHBondContact CA-O 3.39Å; G464-A521 PolarHBondContact N-O 3.5Å; K465-A521 WeakPolarHBondContact O-CB 3.29Å; F466-A521 HydrophobicContact CD1-CB 4.43Å; F466-A521 HydrophobicContact CD2-CB 4.34Å; F466-A521 HydrophobicContact CE1-CB 4.07Å; F466-A521 HydrophobicContact CE2-CB 3.97Å; F466-A521 HydrophobicContact CZ-CB 3.82Å
522	K	95	Very high	91.9	Very high	138 Å²	138	80.4 Å²	80.4	60%	0.6	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	144	176.9	-66.3	-176.2	-179.6	179.2	0	109.8	S520 M524	S520-K522 VanDerWaalsContact C-N 3.29Å; S520-K522 PolarHBondContact OG-N 2.96Å; S520-K522 PolarHBondContact OG-O 2.85Å; K522-M524 WeakPolarHBondContact O-CG 3.48Å; K522-M524 PolarHBondContact O-N 3.4Å
523	P	96	Very high	92	Very high	28 Å²	28	84.8 Å²	84.8	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	123.5	172.9	-22.9	33.2	0	0	0	111.7	L478 L503 F505	L478-P523 HydrophobicContact CD1-CG 4.06Å; L478-P523 HydrophobicContact CD2-CB 3.9Å; L478-P523 HydrophobicContact CD2-CG 3.79Å; L478-P523 HydrophobicContact CG-CG 3.92Å; L503-P523 HydrophobicContact CB-CB 4.2Å; L503-P523 HydrophobicContact CD1-CB 4.29Å; F505-P523 HydrophobicContact CD1-CB 3.78Å; F505-P523 HydrophobicContact CD1-CG 3.82Å; F505-P523 HydrophobicContact CE1-CB 4.14Å; F505-P523 HydrophobicContact CE1-CG 3.97Å
524	M	95.5	Very high	92.2	Very high	83 Å²	83	82.5 Å²	82.5	41%	0.409	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.5	-179.5	-64	-58.9	-63.6	0	0	110.3	L503 T504 L513 S520 K522	L503-M524 CarbonylContact C-O 3.44Å; L503-M524 WeakPolarHBondContact CA-O 3.48Å; T504-M524 PolarHBondContact N-O 2.79Å; T504-M524 PolarHBondContact O-N 2.68Å; L513-M524 HydrophobicContact CD1-CB 4.19Å; S520-M524 WeakPolarHBondContact OG-CG 3.43Å; K522-M524 WeakPolarHBondContact O-CG 3.48Å; K522-M524 PolarHBondContact O-N 3.4Å
525	L	94.4	Very high	92.3	Very high	66 Å²	66	86.8 Å²	86.8	35%	0.346	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.7	176.6	179.6	63.6	0	0	0	111.1	T501 L503 E527 L530	T501-L525 HydrophobicContact CG2-CD1 3.3Å; L503-L525 HydrophobicContact CD2-CB 4.11Å; L503-L525 HydrophobicContact CD2-CD1 3.98Å; L525-E527 HydrophobicContact CD2-CG 4.01Å; L525-E527 HydrophobicContact CG-CG 4.06Å; L525-E527 PolarHBondContact O-N 3.46Å; L525-L530 HydrophobicContact CD1-CD2 4.14Å; L525-L530 HydrophobicContact CD2-CD1 4.32Å; L525-L530 HydrophobicContact CD2-CD2 4.33Å
526	L	94.6	Very high	92.6	Very high	1 Å²	1	80.5 Å²	80.5	1%	0.005	39%	0.387	C	S	.	.			trans	-87.2	78.6	173.6	-170.2	59.3	0	0	0	110.2	L502 T504 G512 L513 Q528 L529 W556 P575	L502-L526 HydrophobicContact CB-CB 4.18Å; L502-L526 HydrophobicContact CB-CD2 4.42Å; L502-L526 HydrophobicContact CD1-CD2 4.34Å; L502-L526 PolarHBondContact O-N 2.98Å; T504-L526 HydrophobicContact CG2-CD2 4.5Å; G512-L526 WeakPolarHBondContact O-CD1 3.1Å; L513-L526 HydrophobicContact CD2-CD1 3.77Å; L513-L526 HydrophobicContact CG-CD1 4.45Å; L526-Q528 PolarHBondContact O-N 3.24Å; L526-Q528 VanDerWaalsContact O-N 3.09Å; L526-L529 HydrophobicContact CD2-CD1 3.63Å; L526-L529 HydrophobicContact CD2-CG 4.11Å; L526-L529 HydrophobicContact CG-CD1 4.35Å; L526-L529 HydrophobicContact CG-CG 4.3Å; L526-L529 PolarHBondContact O-N 2.83Å; L526-L529 VanDerWaalsContact O-N 3.13Å; L526-W556 HydrophobicContact CD2-CH2 4.23Å; L526-W556 HydrophobicContact CD2-CZ2 4.13Å; L526-P575 HydrophobicContact CD2-CG 4.04Å
527	E	91.4	Very high	93	Very high	141 Å²	141	73.3 Å²	73.3	66%	0.659	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.2	-171.4	-66.4	-178.1	-178.6	0	0	114.3	L525 L529 L530	L525-E527 HydrophobicContact CD2-CG 4.01Å; L525-E527 HydrophobicContact CG-CG 4.06Å; L525-E527 PolarHBondContact O-N 3.46Å; E527-L529 PolarHBondContact O-N 2.82Å; E527-L529 VanDerWaalsContact O-N 3.16Å; E527-L530 HydrophobicContact CB-CD1 4.15Å; E527-L530 HydrophobicContact CG-CD1 4.32Å; E527-L530 WeakPolarHBondContact O-CB 3.15Å; E527-L530 WeakPolarHBondContact O-CG 3.17Å; E527-L530 PolarHBondContact O-N 2.77Å
528	Q	90.8	Very high	93.4	Very high	107 Å²	107	73.2 Å²	73.2	50%	0.5	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-61.9	-22.6	-179.1	-61.5	177.8	26.7	0	0	113.2	L526	L526-Q528 PolarHBondContact O-N 3.24Å; L526-Q528 VanDerWaalsContact O-N 3.09Å
529	L	93.4	Very high	93.6	Very high	11 Å²	11	65.7 Å²	65.7	6%	0.058	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-106.1	8.2	-178.1	-60.8	-174.2	0	0	0	113.7	L502 L526 E527 R531 E532 I534 L554 W556 P575	L502-L529 HydrophobicContact CD1-CD1 3.91Å; L526-L529 HydrophobicContact CD2-CD1 3.63Å; L526-L529 HydrophobicContact CD2-CG 4.11Å; L526-L529 HydrophobicContact CG-CD1 4.35Å; L526-L529 HydrophobicContact CG-CG 4.3Å; L526-L529 PolarHBondContact O-N 2.83Å; L526-L529 VanDerWaalsContact O-N 3.13Å; E527-L529 PolarHBondContact O-N 2.82Å; E527-L529 VanDerWaalsContact O-N 3.16Å; L529-R531 PolarHBondContact O-N 2.88Å; L529-E532 HydrophobicContact CD2-CG 4.02Å; L529-E532 PolarHBondContact O-N 2.82Å; L529-I534 HydrophobicContact CD1-CD1 4.43Å; L529-L554 HydrophobicContact CD1-CD1 4.4Å; L529-L554 HydrophobicContact CD2-CD1 3.42Å; L529-L554 VanDerWaalsContact CD2-CD1 3.42Å; L529-W556 HydrophobicContact CD1-CH2 4.32Å; L529-W556 HydrophobicContact CD1-CZ3 4.21Å; L529-P575 HydrophobicContact CD1-CB 4.05Å; L529-P575 HydrophobicContact CD1-CG 3.83Å; L529-P575 HydrophobicContact CD2-CB 3.76Å; L529-P575 HydrophobicContact CD2-CG 4.05Å; L529-P575 HydrophobicContact CG-CB 4.18Å; L529-P575 HydrophobicContact CG-CG 3.94Å
530	L	90.4	Very high	93.7	Very high	97 Å²	97	62.5 Å²	62.5	51%	0.508	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19	-179.8	-76.9	172.1	0	0	0	114.5	T501 L525 E527	T501-L530 HydrophobicContact CG2-CD2 4.34Å; L525-L530 HydrophobicContact CD1-CD2 4.14Å; L525-L530 HydrophobicContact CD2-CD1 4.32Å; L525-L530 HydrophobicContact CD2-CD2 4.33Å; E527-L530 HydrophobicContact CB-CD1 4.15Å; E527-L530 HydrophobicContact CG-CD1 4.32Å; E527-L530 WeakPolarHBondContact O-CB 3.15Å; E527-L530 WeakPolarHBondContact O-CG 3.17Å; E527-L530 PolarHBondContact O-N 2.77Å
531	R	87.8	Confident	93.7	Very high	239 Å²	239	62.5 Å²	62.5	90%	0.902	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.4	178.4	-62	-174.5	-179.2	-155.3	0.3	113.2	L529	L529-R531 PolarHBondContact O-N 2.88Å
532	E	92.3	Very high	93.7	Very high	78 Å²	78	65.1 Å²	65.1	36%	0.364	31%	0.307	S	S	.	.	S	Bend	trans	-100.3	131.8	-178.4	-57.3	-59.7	160.2	0	0	109.6	L529 I534 L548 L554	L529-E532 HydrophobicContact CD2-CG 4.02Å; L529-E532 PolarHBondContact O-N 2.82Å; E532-I534 HydrophobicContact CB-CD1 3.97Å; E532-I534 PolarHBondContact O-N 3.44Å; E532-I534 VanDerWaalsContact O-N 3.09Å; E532-L548 HydrophobicContact CB-CD2 4.21Å; E532-L548 HydrophobicContact CB-CG 4.41Å; E532-L548 WeakPolarHBondContact OE2-CD2 3.22Å; E532-L554 HydrophobicContact CG-CD1 4.3Å
533	N	91.3	Very high	93.8	Very high	92 Å²	92	58.5 Å²	58.5	49%	0.492	28%	0.278	S	S	.	.			trans	-82.4	88.8	175	-74.1	1.8	0	0	0	109.6	K535 L548 E549	N533-K535 PolarHBondContact O-N 2.89Å; N533-L548 CarbonylContact O-C 3.59Å; N533-L548 VanDerWaalsContact O-CA 3.23Å; N533-L548 WeakPolarHBondContact O-CA 3.47Å; N533-E549 HydrophobicContact CB-CB 4.18Å; N533-E549 HydrophobicContact CB-CG 3.97Å; N533-E549 WeakPolarHBondContact CB-OE2 3.33Å; N533-E549 PolarHBondContact ND2-OE2 2.82Å; N533-E549 PolarHBondContact O-N 2.79Å
534	I	94.1	Very high	93.9	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.046	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.6	177.5	-51.8	-56.5	0	0	0	110.2	G500 L502 L529 E532 I537 A546 L548	G500-I534 WeakPolarHBondContact CA-O 3.01Å; G500-I534 WeakPolarHBondContact O-CG1 3.32Å; L502-I534 HydrophobicContact CD1-CG1 4.28Å; L502-I534 HydrophobicContact CD1-CG2 4.49Å; L502-I534 HydrophobicContact CD2-CB 4.47Å; L502-I534 HydrophobicContact CD2-CG2 4.13Å; L502-I534 HydrophobicContact CG-CG1 4.24Å; L529-I534 HydrophobicContact CD1-CD1 4.43Å; E532-I534 HydrophobicContact CB-CD1 3.97Å; E532-I534 PolarHBondContact O-N 3.44Å; E532-I534 VanDerWaalsContact O-N 3.09Å; I534-I537 HydrophobicContact CG2-CG2 4.17Å; I534-A546 HydrophobicContact CD1-CB 4.25Å; I534-A546 HydrophobicContact CG2-CB 4.31Å; I534-L548 HydrophobicContact CD1-CD1 3.58Å; I534-L548 HydrophobicContact CD1-CG 4.05Å
535	K	91.5	Very high	94	Very high	108 Å²	108	53.2 Å²	53.2	47%	0.47	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-47.6	175.2	-178.4	-169.2	176.9	-164.9	0	111.6	N533 V547 E549 V587	N533-K535 PolarHBondContact O-N 2.89Å; K535-V547 WeakPolarHBondContact CA-O 3.33Å; K535-V547 WeakPolarHBondContact CB-O 3.29Å; K535-V547 PolarHBondContact N-O 3.34Å; K535-E549 HydrophobicContact CB-CG 4.28Å; K535-V587 PolarHBondContact NZ-O 2.98Å
536	D	92.7	Very high	94.1	Very high	39 Å²	39	50.1 Å²	50.1	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.6	-176.1	-152.8	-1.6	0	0	0	112.9	S485 Y538 V547	S485-D536 PolarHBondContact OG-OD1 3.27Å; D536-Y538 HydrophobicContact CB-CE2 4.38Å; D536-Y538 WeakPolarHBondContact OD2-CE1 3.28Å; D536-Y538 VanDerWaalsContact OD2-CZ 3.26Å; D536-Y538 PolarHBondContact OD2-OH 2.63Å; D536-V547 PolarHBondContact N-O 2.79Å; D536-V547 PolarHBondContact O-N 2.92Å
537	I	95.4	Very high	94.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.7	-177	51.4	163.8	0	0	0	111.6	G487 V494 C496 L502 I534 A546	G487-I537 VanDerWaalsContact N-CD1 3.35Å; V494-I537 HydrophobicContact CB-CD1 3.94Å; V494-I537 HydrophobicContact CG1-CD1 3.72Å; V494-I537 HydrophobicContact CG1-CG2 4.38Å; V494-I537 WeakPolarHBondContact O-CD1 3.42Å; C496-I537 HydrophobicContact CB-CD1 4.16Å; C496-I537 HydrophobicContact CB-CG1 4.22Å; L502-I537 HydrophobicContact CD1-CG2 4.11Å; L502-I537 HydrophobicContact CD2-CG2 3.96Å; I534-I537 HydrophobicContact CG2-CG2 4.17Å; I537-A546 HydrophobicContact CG2-CB 4.24Å
538	Y	96.9	Very high	94.3	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.5	178.4	-53.2	-61.8	0	0	0	109.8	D536 V545 V547 Y588 G589	D536-Y538 HydrophobicContact CB-CE2 4.38Å; D536-Y538 WeakPolarHBondContact OD2-CE1 3.28Å; D536-Y538 VanDerWaalsContact OD2-CZ 3.26Å; D536-Y538 PolarHBondContact OD2-OH 2.63Å; Y538-V545 PolarHBondContact N-O 3.38Å; Y538-V545 PolarHBondContact O-N 3.36Å; Y538-V547 HydrophobicContact CD2-CG2 4.01Å; Y538-V547 HydrophobicContact CE2-CG2 3.63Å; Y538-Y588 HydrophobicContact CE1-CD2 4.43Å; Y538-Y588 HydrophobicContact CE1-CE2 4.35Å; Y538-Y588 WeakPolarHBondContact OH-CD2 3.34Å; Y538-G589 WeakPolarHBondContact CD1-O 3.18Å; Y538-G589 WeakPolarHBondContact CE1-O 3.43Å; Y538-G589 VanDerWaalsContact CE2-CA 3.48Å; Y538-G589 VanDerWaalsContact CE2-N 3.26Å; Y538-G589 PolarHBondContact OH-N 3.35Å
539	C	97.2	Very high	94.4	Very high	19 Å²	19	45.1 Å²	45.1	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.4	179.5	-64	0	0	0	0	109.9	G487 V488 F492 H543	G487-C539 VanDerWaalsContact CA-SG 3.59Å; V488-C539 WeakPolarHBondContact O-CB 3.31Å; F492-C539 HydrophobicContact CE2-CB 4.25Å; F492-C539 HydrophobicContact CZ-CB 4.27Å; C539-H543 WeakPolarHBondContact CA-O 3.34Å
540	G	95.8	Very high	94.3	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	23%	0.226	C	C	.	.			trans	-85.6	-166.1	163.3	0	0	0	0	0	110.4	G489 D542 H543 A591 G592	G489-G540 WeakPolarHBondContact CA-O 3.36Å; G540-D542 VanDerWaalsContact C-N 3.35Å; G540-D542 PolarHBondContact O-N 3.49Å; G540-H543 PolarHBondContact N-O 2.85Å; G540-A591 VanDerWaalsContact N-CB 3.26Å; G540-G592 WeakPolarHBondContact CA-O 3.19Å
541	H	94.8	Very high	94.5	Very high	19 Å²	19	42.9 Å²	42.9	9%	0.088	20%	0.204	C	C	.	.	S	Bend	trans	-62.9	-43.4	176.7	-78.5	-168.9	0	0	0	112.1	N490 G592 K593	N490-H541 WeakPolarHBondContact CB-O 3.36Å; N490-H541 PolarHBondContact N-O 2.67Å; N490-H541 WeakPolarHBondContact ND2-CB 3.47Å; N490-H541 VanDerWaalsContact ND2-CG 3.29Å; N490-H541 PolarHBondContact ND2-ND1 3.27Å; H541-G592 PolarHBondContact N-O 2.86Å; H541-K593 WeakPolarHBondContact ND1-CG 3.37Å
542	D	95.9	Very high	94.8	Very high	61 Å²	61	35.2 Å²	35.2	33%	0.326	18%	0.179	S	C	.	.	S	Bend	trans	-136.2	23.5	-172.1	-64.9	-72.2	0	0	0	112.1	N510 G540 S558	N510-D542 PolarHBondContact OD1-O 3.17Å; N510-D542 VanDerWaalsContact OD1-O 3.06Å; G540-D542 VanDerWaalsContact C-N 3.35Å; G540-D542 PolarHBondContact O-N 3.49Å; D542-S558 WeakPolarHBondContact O-CB 3.27Å; D542-S558 PolarHBondContact O-N 2.85Å
543	H	97.3	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	162.3	179.8	71.2	-77	0	0	0	112	C539 G540 W556 Q563 L564 G592 T596	C539-H543 WeakPolarHBondContact CA-O 3.34Å; G540-H543 PolarHBondContact N-O 2.85Å; H543-W556 CarbonylContact C-O 3.09Å; H543-W556 WeakPolarHBondContact CA-O 3.46Å; H543-Q563 HydrophobicContact CB-CG 4.36Å; H543-L564 HydrophobicContact CB-CD2 4Å; H543-G592 PolarHBondContact CE1-O 2.77Å; H543-T596 PolarHBondContact NE2-OG1 2.95Å
544	V	97.9	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.4	-178.9	-171.6	0	0	0	0	109.4	F492 V494 G555 W556	F492-V544 HydrophobicContact CD2-CG2 4.38Å; F492-V544 HydrophobicContact CE2-CG2 3.36Å; F492-V544 HydrophobicContact CZ-CG2 3.74Å; V494-V544 HydrophobicContact CG2-CG1 4.43Å; V494-V544 HydrophobicContact CG2-CG2 4.11Å; V544-G555 WeakPolarHBondContact O-CA 3.5Å; V544-W556 HydrophobicContact CB-CD2 3.93Å; V544-W556 VanDerWaalsContact CB-CE2 3.49Å; V544-W556 HydrophobicContact CB-CE3 4.39Å; V544-W556 HydrophobicContact CB-CG 4.44Å; V544-W556 HydrophobicContact CB-CH2 4.14Å; V544-W556 HydrophobicContact CB-CZ2 3.63Å; V544-W556 HydrophobicContact CB-CZ3 4.49Å; V544-W556 HydrophobicContact CG1-CD2 4.44Å; V544-W556 HydrophobicContact CG1-CH2 3.58Å; V544-W556 HydrophobicContact CG1-CZ2 3.37Å; V544-W556 HydrophobicContact CG1-CZ3 4.19Å; V544-W556 HydrophobicContact CG2-CZ2 4.06Å; V544-W556 PolarHBondContact N-O 2.9Å; V544-W556 PolarHBondContact O-N 3.32Å
545	V	97.9	Very high	95.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.9	168.7	179.9	0	0	0	0	108.4	Y538 C553 L554 L564 I578 T596 L598	Y538-V545 PolarHBondContact N-O 3.38Å; Y538-V545 PolarHBondContact O-N 3.36Å; V545-C553 HydrophobicContact CG1-CB 4.15Å; V545-L554 CarbonylContact C-O 3.49Å; V545-L554 WeakPolarHBondContact CA-O 3.13Å; V545-L564 HydrophobicContact CG2-CD2 4.28Å; V545-I578 HydrophobicContact CG1-CD1 3.94Å; V545-I578 HydrophobicContact CG2-CD1 4.15Å; V545-T596 HydrophobicContact CG2-CG2 3.97Å; V545-L598 HydrophobicContact CG1-CD2 4.31Å
546	A	96.9	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.2	172	0	0	0	0	0	109.6	I534 I537 C553 L554 W556	I534-A546 HydrophobicContact CD1-CB 4.25Å; I534-A546 HydrophobicContact CG2-CB 4.31Å; I537-A546 HydrophobicContact CG2-CB 4.24Å; A546-C553 CarbonylContact O-C 3.25Å; A546-C553 VanDerWaalsContact O-CA 3.24Å; A546-C553 WeakPolarHBondContact O-CA 3.27Å; A546-L554 PolarHBondContact N-O 3.11Å; A546-L554 PolarHBondContact O-N 3.33Å; A546-W556 HydrophobicContact CB-CH2 4.07Å; A546-W556 HydrophobicContact CB-CZ3 3.85Å
547	V	96.2	Very high	95.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.7	177.1	-176.7	0	0	0	0	108.8	K535 D536 Y538 I586	K535-V547 WeakPolarHBondContact CA-O 3.33Å; K535-V547 WeakPolarHBondContact CB-O 3.29Å; K535-V547 PolarHBondContact N-O 3.34Å; D536-V547 PolarHBondContact N-O 2.79Å; D536-V547 PolarHBondContact O-N 2.92Å; Y538-V547 HydrophobicContact CD2-CG2 4.01Å; Y538-V547 HydrophobicContact CE2-CG2 3.63Å; V547-I586 HydrophobicContact CG1-CB 4.19Å; V547-I586 HydrophobicContact CG1-CG2 4.17Å; V547-I586 HydrophobicContact CG2-CG2 4.08Å
548	L	94.9	Very high	95.8	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	162	178.5	-80.4	62.3	0	0	0	110.9	E532 N533 I534 S550 G551 E552 L554	E532-L548 HydrophobicContact CB-CD2 4.21Å; E532-L548 HydrophobicContact CB-CG 4.41Å; E532-L548 WeakPolarHBondContact OE2-CD2 3.22Å; N533-L548 CarbonylContact O-C 3.59Å; N533-L548 VanDerWaalsContact O-CA 3.23Å; N533-L548 WeakPolarHBondContact O-CA 3.47Å; I534-L548 HydrophobicContact CD1-CD1 3.58Å; I534-L548 HydrophobicContact CD1-CG 4.05Å; L548-S550 PolarHBondContact O-N 2.89Å; L548-G551 PolarHBondContact O-N 3.36Å; L548-E552 PolarHBondContact N-O 3Å; L548-L554 HydrophobicContact CD1-CD1 3.89Å; L548-L554 HydrophobicContact CD1-CG 3.82Å
549	E	92.1	Very high	95.8	Very high	136 Å²	136	19.7 Å²	19.7	64%	0.636	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.6	170.9	-72.1	-174.3	157.4	0	0	112.9	N533 K535 G551	N533-E549 HydrophobicContact CB-CB 4.18Å; N533-E549 HydrophobicContact CB-CG 3.97Å; N533-E549 WeakPolarHBondContact CB-OE2 3.33Å; N533-E549 PolarHBondContact ND2-OE2 2.82Å; N533-E549 PolarHBondContact O-N 2.79Å; K535-E549 HydrophobicContact CB-CG 4.28Å; E549-G551 PolarHBondContact O-N 3.09Å
550	S	91.9	Very high	95.6	Very high	55 Å²	55	23.7 Å²	23.7	39%	0.385	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.8	174.2	65	0	0	0	0	113.4	L548 E552	L548-S550 PolarHBondContact O-N 2.89Å; S550-E552 WeakPolarHBondContact OG-CB 3.43Å; S550-E552 WeakPolarHBondContact OG-CG 3.47Å; S550-E552 PolarHBondContact OG-N 2.83Å; S550-E552 PolarHBondContact OG-OE2 2.97Å
551	G	92.8	Very high	95.5	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	86.5	2.8	-170.7	0	0	0	0	0	113.9	L548 E549 I586	L548-G551 PolarHBondContact O-N 3.36Å; E549-G551 PolarHBondContact O-N 3.09Å; G551-I586 WeakPolarHBondContact O-CB 3.49Å; G551-I586 PolarHBondContact O-N 3.42Å
552	E	95.1	Very high	95.4	Very high	78 Å²	78	28 Å²	28	36%	0.364	14%	0.138	S	C	.	.			trans	-77.1	157.8	171.8	-65.1	174.1	114.7	0	0	111.2	L548 S550 K577	L548-E552 PolarHBondContact N-O 3Å; S550-E552 WeakPolarHBondContact OG-CB 3.43Å; S550-E552 WeakPolarHBondContact OG-CG 3.47Å; S550-E552 PolarHBondContact OG-N 2.83Å; S550-E552 PolarHBondContact OG-OE2 2.97Å; E552-K577 WeakPolarHBondContact OE1-CE 3.32Å; E552-K577 IonicContact OE1-NZ 3.51Å; E552-K577 PolarHBondContact OE1-NZ 3.3Å
553	C	96.6	Very high	95.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.5	-179.5	-54.8	0	0	0	0	112.4	V545 A546 I578 M580 I586	V545-C553 HydrophobicContact CG1-CB 4.15Å; A546-C553 CarbonylContact O-C 3.25Å; A546-C553 VanDerWaalsContact O-CA 3.24Å; A546-C553 WeakPolarHBondContact O-CA 3.27Å; C553-I578 HydrophobicContact CB-CB 4.31Å; C553-I578 HydrophobicContact CB-CD1 4.06Å; C553-I578 HydrophobicContact CB-CG1 4.47Å; C553-I578 PolarHBondContact O-N 3.2Å; C553-M580 HydrophobicContact CB-CE 3.57Å; C553-I586 VanDerWaalsContact SG-CG1 3.52Å
554	L	96.7	Very high	95.3	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.099	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.1	171.2	-54.9	178.2	0	0	0	108.5	L529 E532 V545 A546 L548 P575 T576 K577	L529-L554 HydrophobicContact CD1-CD1 4.4Å; L529-L554 HydrophobicContact CD2-CD1 3.42Å; L529-L554 VanDerWaalsContact CD2-CD1 3.42Å; E532-L554 HydrophobicContact CG-CD1 4.3Å; V545-L554 CarbonylContact C-O 3.49Å; V545-L554 WeakPolarHBondContact CA-O 3.13Å; A546-L554 PolarHBondContact N-O 3.11Å; A546-L554 PolarHBondContact O-N 3.33Å; L548-L554 HydrophobicContact CD1-CD1 3.89Å; L548-L554 HydrophobicContact CD1-CG 3.82Å; L554-P575 HydrophobicContact CB-CB 4.49Å; L554-T576 CarbonylContact C-O 3.49Å; L554-T576 WeakPolarHBondContact CA-O 3.39Å; L554-K577 HydrophobicContact CD2-CB 3.96Å; L554-K577 HydrophobicContact CD2-CG 4.38Å
555	G	96.8	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.9	-179.7	0	0	0	0	0	112.9	V544 T576	V544-G555 WeakPolarHBondContact O-CA 3.5Å; G555-T576 PolarHBondContact N-O 3.21Å; G555-T576 PolarHBondContact O-N 3.1Å
556	W	97.2	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.3	174	65.9	91.1	0	0	0	111.1	L502 N510 L526 L529 H543 V544 A546 F572 P575	L502-W556 HydrophobicContact CD1-CH2 4.01Å; N510-W556 PolarHBondContact O-NE1 3.26Å; L526-W556 HydrophobicContact CD2-CH2 4.23Å; L526-W556 HydrophobicContact CD2-CZ2 4.13Å; L529-W556 HydrophobicContact CD1-CH2 4.32Å; L529-W556 HydrophobicContact CD1-CZ3 4.21Å; H543-W556 CarbonylContact C-O 3.09Å; H543-W556 WeakPolarHBondContact CA-O 3.46Å; V544-W556 HydrophobicContact CB-CD2 3.93Å; V544-W556 VanDerWaalsContact CB-CE2 3.49Å; V544-W556 HydrophobicContact CB-CE3 4.39Å; V544-W556 HydrophobicContact CB-CG 4.44Å; V544-W556 HydrophobicContact CB-CH2 4.14Å; V544-W556 HydrophobicContact CB-CZ2 3.63Å; V544-W556 HydrophobicContact CB-CZ3 4.49Å; V544-W556 HydrophobicContact CG1-CD2 4.44Å; V544-W556 HydrophobicContact CG1-CH2 3.58Å; V544-W556 HydrophobicContact CG1-CZ2 3.37Å; V544-W556 HydrophobicContact CG1-CZ3 4.19Å; V544-W556 HydrophobicContact CG2-CZ2 4.06Å; V544-W556 PolarHBondContact N-O 2.9Å; V544-W556 PolarHBondContact O-N 3.32Å; A546-W556 HydrophobicContact CB-CH2 4.07Å; A546-W556 HydrophobicContact CB-CZ3 3.85Å; W556-F572 CarbonylContact C-O 3.46Å; W556-F572 WeakPolarHBondContact CA-O 3.21Å; W556-F572 WeakPolarHBondContact CB-O 3.48Å; W556-P575 HydrophobicContact CD2-CG 4.24Å; W556-P575 HydrophobicContact CE3-CB 3.87Å; W556-P575 HydrophobicContact CE3-CG 3.88Å; W556-P575 HydrophobicContact CZ3-CB 4.23Å; W556-P575 HydrophobicContact CZ3-CG 4.21Å
557	G	96.3	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-150.3	-172.6	0	0	0	0	0	112.7	F572	G557-F572 PolarHBondContact N-O 2.73Å; G557-F572 PolarHBondContact O-N 2.93Å
558	S	95.5	Very high	93.9	Very high	8 Å²	8	33.3 Å²	33.3	6%	0.056	18%	0.175	C	C	.	.			trans	-66.1	137.2	-178.9	-176.6	0	0	0	0	112.5	D542 Q563 H571	D542-S558 WeakPolarHBondContact O-CB 3.27Å; D542-S558 PolarHBondContact O-N 2.85Å; S558-Q563 WeakPolarHBondContact O-CG 3.33Å; S558-Q563 PolarHBondContact O-NE2 2.79Å; S558-Q563 PolarHBondContact OG-NE2 3.25Å; S558-H571 VanDerWaalsContact CA-ND1 3.33Å; S558-H571 WeakPolarHBondContact CA-ND1 3.11Å; S558-H571 PolarHBondContact OG-CE1 2.69Å
559	N	95.5	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.			trans	-133.6	22.2	173.2	-158.2	35.3	0	0	0	112.9	Y561 G562 Q563 L564 T568 L569 E570 F572	N559-Y561 PolarHBondContact O-N 3.01Å; N559-Y561 VanDerWaalsContact O-N 3.09Å; N559-G562 PolarHBondContact O-N 3.01Å; N559-G562 WeakPolarHBondContact OD1-CA 3.49Å; N559-Q563 VanDerWaalsContact C-OE1 3.22Å; N559-Q563 VanDerWaalsContact CA-OE1 3.31Å; N559-Q563 PolarHBondContact OD1-N 3.33Å; N559-L564 HydrophobicContact CB-CB 4.43Å; N559-L564 HydrophobicContact CB-CD1 4.08Å; N559-L564 HydrophobicContact CB-CG 4.28Å; N559-L564 WeakPolarHBondContact OD1-CB 3.14Å; N559-L564 PolarHBondContact OD1-N 2.85Å; N559-T568 PolarHBondContact ND2-O 2.79Å; N559-L569 CarbonylContact C-O 3.55Å; N559-L569 CarbonylContact O-C 3.4Å; N559-L569 WeakPolarHBondContact O-CA 3.5Å; N559-E570 WeakPolarHBondContact CB-O 3.36Å; N559-F572 HydrophobicContact CB-CD2 4.12Å; N559-F572 HydrophobicContact CB-CE2 4.31Å
560	Q	93.6	Very high	93.8	Very high	104 Å²	104	36 Å²	36	49%	0.486	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.5	-175.4	-67.7	177.4	-43	0	0	113.4	H571	Q560-H571 WeakPolarHBondContact CG-NE2 3.27Å; Q560-H571 PolarHBondContact NE2-NE2 3.28Å; Q560-H571 VanDerWaalsContact NE2-NE2 3.11Å
561	Y	92.8	Very high	93.9	Very high	112 Å²	112	36.8 Å²	36.8	44%	0.439	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	8.5	176.5	-56.8	-73	0	0	0	112.5	N559 D594 G609 Y635	N559-Y561 PolarHBondContact O-N 3.01Å; N559-Y561 VanDerWaalsContact O-N 3.09Å; Y561-D594 HydrophobicContact CD2-CB 3.65Å; Y561-D594 HydrophobicContact CE2-CB 4.19Å; Y561-D594 HydrophobicContact CG-CB 4.21Å; Y561-G609 CarbonylContact O-C 3.58Å; Y561-G609 WeakPolarHBondContact O-CA 3.38Å; Y561-Y635 WeakPolarHBondContact O-CB 3.14Å
562	G	93.8	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	77.8	18	-177.1	0	0	0	0	0	114.6	N559 L564 G565 G609	N559-G562 PolarHBondContact O-N 3.01Å; N559-G562 WeakPolarHBondContact OD1-CA 3.49Å; G562-L564 PolarHBondContact O-N 3.17Å; G562-L564 VanDerWaalsContact O-N 3.14Å; G562-G565 PolarHBondContact O-N 2.82Å; G562-G609 PolarHBondContact O-N 3.24Å
563	Q	95.6	Very high	94	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.014	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.9	-176	62.9	-96.8	47.1	0	0	115.5	H543 S558 N559 T596 M608	H543-Q563 HydrophobicContact CB-CG 4.36Å; S558-Q563 WeakPolarHBondContact O-CG 3.33Å; S558-Q563 PolarHBondContact O-NE2 2.79Å; S558-Q563 PolarHBondContact OG-NE2 3.25Å; N559-Q563 VanDerWaalsContact C-OE1 3.22Å; N559-Q563 VanDerWaalsContact CA-OE1 3.31Å; N559-Q563 PolarHBondContact OD1-N 3.33Å; Q563-T596 WeakPolarHBondContact O-CB 3.47Å; Q563-T596 PolarHBondContact O-OG1 2.81Å; Q563-M608 WeakPolarHBondContact O-CG 3.37Å
564	L	95.9	Very high	93.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.7	170.3	-61.4	179.8	0	0	0	112.9	H543 V545 N559 G562 L566 F572 I578	H543-L564 HydrophobicContact CB-CD2 4Å; V545-L564 HydrophobicContact CG2-CD2 4.28Å; N559-L564 HydrophobicContact CB-CB 4.43Å; N559-L564 HydrophobicContact CB-CD1 4.08Å; N559-L564 HydrophobicContact CB-CG 4.28Å; N559-L564 WeakPolarHBondContact OD1-CB 3.14Å; N559-L564 PolarHBondContact OD1-N 2.85Å; G562-L564 PolarHBondContact O-N 3.17Å; G562-L564 VanDerWaalsContact O-N 3.14Å; L564-L566 HydrophobicContact CB-CD1 3.84Å; L564-L566 HydrophobicContact CB-CG 3.9Å; L564-L566 HydrophobicContact CD1-CD1 3.99Å; L564-L566 PolarHBondContact O-N 3.32Å; L564-F572 HydrophobicContact CD1-CB 4.14Å; L564-F572 HydrophobicContact CD1-CD2 4.1Å; L564-F572 HydrophobicContact CD1-CG 4.44Å; L564-I578 WeakPolarHBondContact O-CG1 3.16Å; L564-I578 WeakPolarHBondContact O-CG2 3.25Å
565	G	93.1	Very high	93.9	Very high	1 Å²	1	39 Å²	39	1%	0.01	20%	0.201	C	C	.	.			trans	66.3	23.6	-179.1	0	0	0	0	0	114	G562 M608 N637 P639	G562-G565 PolarHBondContact O-N 2.82Å; G565-M608 VanDerWaalsContact CA-SD 3.59Å; G565-M608 PolarHBondContact N-SD 3.04Å; G565-M608 VanDerWaalsContact N-SD 3.39Å; G565-N637 CarbonylContact C-O 3.53Å; G565-N637 WeakPolarHBondContact CA-O 3.16Å; G565-P639 WeakPolarHBondContact O-CD 3.15Å
566	L	92.2	Very high	93.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.214	C	C	.	.			trans	-90.8	155.5	-179.4	-65.4	174.7	0	0	0	111.3	L564 T568 F572 T576 K577 N637	L564-L566 HydrophobicContact CB-CD1 3.84Å; L564-L566 HydrophobicContact CB-CG 3.9Å; L564-L566 HydrophobicContact CD1-CD1 3.99Å; L564-L566 PolarHBondContact O-N 3.32Å; L566-T568 PolarHBondContact O-N 2.84Å; L566-T568 VanDerWaalsContact O-N 3.09Å; L566-F572 HydrophobicContact CB-CD2 4.49Å; L566-F572 HydrophobicContact CB-CE2 3.74Å; L566-F572 HydrophobicContact CB-CZ 3.79Å; L566-F572 HydrophobicContact CD1-CB 4.39Å; L566-F572 HydrophobicContact CD1-CD1 3.74Å; L566-F572 HydrophobicContact CD1-CD2 3.45Å; L566-F572 VanDerWaalsContact CD1-CD2 3.45Å; L566-F572 HydrophobicContact CD1-CE1 3.78Å; L566-F572 HydrophobicContact CD1-CE2 3.5Å; L566-F572 HydrophobicContact CD1-CG 3.58Å; L566-F572 HydrophobicContact CD1-CZ 3.67Å; L566-F572 HydrophobicContact CG-CE2 4.27Å; L566-F572 HydrophobicContact CG-CZ 4.33Å; L566-T576 HydrophobicContact CD1-CG2 4.01Å; L566-T576 HydrophobicContact CD2-CG2 3.95Å; L566-K577 WeakPolarHBondContact CD2-O 3.35Å; L566-N637 VanDerWaalsContact O-O 3.07Å
567	P	84.3	Confident	93.8	Very high	109 Å²	109	47.1 Å²	47.1	71%	0.708	24%	0.24	S	C	*	.	S	Bend	trans	-63.9	-18.5	-169.7	23.1	-34.4	0	0	0	115.3
568	T	89.9	Confident	93.7	Very high	58 Å²	58	47.3 Å²	47.3	36%	0.356	24%	0.241	S	C	.	.	S	Bend	trans	-115.3	162.9	177.8	70.6	0	0	0	0	110.5	N559 L566 E570 F572	N559-T568 PolarHBondContact ND2-O 2.79Å; L566-T568 PolarHBondContact O-N 2.84Å; L566-T568 VanDerWaalsContact O-N 3.09Å; T568-E570 VanDerWaalsContact C-N 3.32Å; T568-F572 WeakPolarHBondContact OG1-CZ 3.39Å
569	L	91.5	Very high	93.7	Very high	62 Å²	62	50.5 Å²	50.5	33%	0.325	26%	0.261	S	S	.	.	S	Bend	trans	-94.2	14.6	173.9	-61.1	176.8	0	0	0	113.1	N559 Y635 N637	N559-L569 CarbonylContact C-O 3.55Å; N559-L569 CarbonylContact O-C 3.4Å; N559-L569 WeakPolarHBondContact O-CA 3.5Å; L569-Y635 HydrophobicContact CD1-CE2 4.06Å; L569-Y635 WeakPolarHBondContact CD1-OH 3.45Å; L569-Y635 HydrophobicContact CD2-CD2 4.39Å; L569-Y635 HydrophobicContact CD2-CE2 3.93Å; L569-N637 HydrophobicContact CD2-CB 4Å
570	E	93.4	Very high	93.5	Very high	137 Å²	137	52.1 Å²	52.1	64%	0.64	27%	0.269	S	S	*	.	S	Bend	trans	-78.7	156.5	-178.7	-62.8	-174.6	162.4	0	0	111.7	N559 T568 F572	N559-E570 WeakPolarHBondContact CB-O 3.36Å; T568-E570 VanDerWaalsContact C-N 3.32Å; E570-F572 WeakPolarHBondContact O-CD2 3.4Å; E570-F572 WeakPolarHBondContact O-CE2 3.19Å
571	H	93.9	Very high	93.2	Very high	73 Å²	73	48.7 Å²	48.7	34%	0.338	26%	0.256	S	S	.	.			trans	-69.8	137.1	172.7	-62.4	-92.8	0	0	0	110.6	S558 Q560 F573	S558-H571 VanDerWaalsContact CA-ND1 3.33Å; S558-H571 WeakPolarHBondContact CA-ND1 3.11Å; S558-H571 PolarHBondContact OG-CE1 2.69Å; Q560-H571 WeakPolarHBondContact CG-NE2 3.27Å; Q560-H571 PolarHBondContact NE2-NE2 3.28Å; Q560-H571 VanDerWaalsContact NE2-NE2 3.11Å; H571-F573 HydrophobicContact CB-CE1 4.15Å; H571-F573 HydrophobicContact CB-CE2 3.87Å; H571-F573 HydrophobicContact CB-CZ 3.57Å
572	F	95.3	Very high	92.3	Very high	39 Å²	39	48.2 Å²	48.2	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.8	178.9	-73.3	-95.2	0	0	0	109.9	W556 G557 N559 L564 L566 T568 E570 A574 T576	W556-F572 CarbonylContact C-O 3.46Å; W556-F572 WeakPolarHBondContact CA-O 3.21Å; W556-F572 WeakPolarHBondContact CB-O 3.48Å; G557-F572 PolarHBondContact N-O 2.73Å; G557-F572 PolarHBondContact O-N 2.93Å; N559-F572 HydrophobicContact CB-CD2 4.12Å; N559-F572 HydrophobicContact CB-CE2 4.31Å; L564-F572 HydrophobicContact CD1-CB 4.14Å; L564-F572 HydrophobicContact CD1-CD2 4.1Å; L564-F572 HydrophobicContact CD1-CG 4.44Å; L566-F572 HydrophobicContact CB-CD2 4.49Å; L566-F572 HydrophobicContact CB-CE2 3.74Å; L566-F572 HydrophobicContact CB-CZ 3.79Å; L566-F572 HydrophobicContact CD1-CB 4.39Å; L566-F572 HydrophobicContact CD1-CD1 3.74Å; L566-F572 HydrophobicContact CD1-CD2 3.45Å; L566-F572 VanDerWaalsContact CD1-CD2 3.45Å; L566-F572 HydrophobicContact CD1-CE1 3.78Å; L566-F572 HydrophobicContact CD1-CE2 3.5Å; L566-F572 HydrophobicContact CD1-CG 3.58Å; L566-F572 HydrophobicContact CD1-CZ 3.67Å; L566-F572 HydrophobicContact CG-CE2 4.27Å; L566-F572 HydrophobicContact CG-CZ 4.33Å; T568-F572 WeakPolarHBondContact OG1-CZ 3.39Å; E570-F572 WeakPolarHBondContact O-CD2 3.4Å; E570-F572 WeakPolarHBondContact O-CE2 3.19Å; F572-A574 VanDerWaalsContact C-N 3.31Å; F572-A574 PolarHBondContact O-N 3.1Å; F572-T576 HydrophobicContact CD1-CG2 4.15Å; F572-T576 HydrophobicContact CE1-CG2 4.23Å
573	F	94.5	Very high	91.3	Very high	54 Å²	54	55.8 Å²	55.8	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-0.6	-175.7	-58	-74.3	0	0	0	114.4	K509 G512 L513 G514 K515 H571	K509-F573 HydrophobicContact CB-CE1 4.04Å; K509-F573 HydrophobicContact CG-CE1 4.22Å; K509-F573 VanDerWaalsContact O-CD1 3.31Å; K509-F573 WeakPolarHBondContact O-CD1 3.41Å; G512-F573 CarbonylContact C-O 3.58Å; G512-F573 WeakPolarHBondContact CA-O 3.39Å; L513-F573 PolarHBondContact N-O 3.48Å; G514-F573 WeakPolarHBondContact CA-O 3.44Å; G514-F573 PolarHBondContact N-O 3.33Å; K515-F573 HydrophobicContact CB-CB 4.44Å; K515-F573 HydrophobicContact CB-CD2 3.97Å; K515-F573 HydrophobicContact CB-CG 4.34Å; K515-F573 HydrophobicContact CG-CD2 4.01Å; K515-F573 HydrophobicContact CG-CE2 4.2Å; H571-F573 HydrophobicContact CB-CE1 4.15Å; H571-F573 HydrophobicContact CB-CE2 3.87Å; H571-F573 HydrophobicContact CB-CZ 3.57Å
574	A	94	Very high	90.8	Very high	33 Å²	33	57.8 Å²	57.8	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	177.8	0	0	0	0	0	110.2	F572 T576	F572-A574 VanDerWaalsContact C-N 3.31Å; F572-A574 PolarHBondContact O-N 3.1Å; A574-T576 PolarHBondContact O-N 3.31Å; A574-T576 PolarHBondContact O-OG1 3.42Å
575	P	96.1	Very high	90.6	Very high	22 Å²	22	63.4 Å²	63.4	14%	0.143	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	121.4	177	-26.7	34.6	0	0	0	112	G512 L526 L529 L554 W556	G512-P575 VanDerWaalsContact O-CD 3.31Å; G512-P575 WeakPolarHBondContact O-CD 3.45Å; L526-P575 HydrophobicContact CD2-CG 4.04Å; L529-P575 HydrophobicContact CD1-CB 4.05Å; L529-P575 HydrophobicContact CD1-CG 3.83Å; L529-P575 HydrophobicContact CD2-CB 3.76Å; L529-P575 HydrophobicContact CD2-CG 4.05Å; L529-P575 HydrophobicContact CG-CB 4.18Å; L529-P575 HydrophobicContact CG-CG 3.94Å; L554-P575 HydrophobicContact CB-CB 4.49Å; W556-P575 HydrophobicContact CD2-CG 4.24Å; W556-P575 HydrophobicContact CE3-CB 3.87Å; W556-P575 HydrophobicContact CE3-CG 3.88Å; W556-P575 HydrophobicContact CZ3-CB 4.23Å; W556-P575 HydrophobicContact CZ3-CG 4.21Å
576	T	96.1	Very high	90.7	Very high	45 Å²	45	63.5 Å²	63.5	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	-175.7	-58	0	0	0	0	110	L554 G555 L566 F572 A574 I578	L554-T576 CarbonylContact C-O 3.49Å; L554-T576 WeakPolarHBondContact CA-O 3.39Å; G555-T576 PolarHBondContact N-O 3.21Å; G555-T576 PolarHBondContact O-N 3.1Å; L566-T576 HydrophobicContact CD1-CG2 4.01Å; L566-T576 HydrophobicContact CD2-CG2 3.95Å; F572-T576 HydrophobicContact CD1-CG2 4.15Å; F572-T576 HydrophobicContact CE1-CG2 4.23Å; A574-T576 PolarHBondContact O-N 3.31Å; A574-T576 PolarHBondContact O-OG1 3.42Å; T576-I578 PolarHBondContact O-N 3.09Å
577	K	95.6	Very high	90.7	Very high	126 Å²	126	65.8 Å²	65.8	55%	0.548	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.7	-178.5	-172.8	173.9	-175.5	168.1	0	111.9	E552 L554 L566	E552-K577 WeakPolarHBondContact OE1-CE 3.32Å; E552-K577 IonicContact OE1-NZ 3.51Å; E552-K577 PolarHBondContact OE1-NZ 3.3Å; L554-K577 HydrophobicContact CD2-CB 3.96Å; L554-K577 HydrophobicContact CD2-CG 4.38Å; L566-K577 WeakPolarHBondContact CD2-O 3.35Å
578	I	95.9	Very high	91.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	34%	0.337	C	S	.	.			trans	-84.4	124.9	177.4	-57	177.7	0	0	0	109.1	V545 C553 L564 T576 M580 M608 P639	V545-I578 HydrophobicContact CG1-CD1 3.94Å; V545-I578 HydrophobicContact CG2-CD1 4.15Å; C553-I578 HydrophobicContact CB-CB 4.31Å; C553-I578 HydrophobicContact CB-CD1 4.06Å; C553-I578 HydrophobicContact CB-CG1 4.47Å; C553-I578 PolarHBondContact O-N 3.2Å; L564-I578 WeakPolarHBondContact O-CG1 3.16Å; L564-I578 WeakPolarHBondContact O-CG2 3.25Å; T576-I578 PolarHBondContact O-N 3.09Å; I578-M580 HydrophobicContact CB-CE 3.89Å; I578-M580 HydrophobicContact CG2-CE 3.49Å; I578-M580 VanDerWaalsContact CG2-CE 3.49Å; I578-M580 HydrophobicContact CG2-SD 4.34Å; I578-M580 PolarHBondContact O-N 3.46Å; I578-M608 HydrophobicContact CG2-CE 4.32Å; I578-M608 HydrophobicContact CG2-SD 4.18Å; I578-P639 HydrophobicContact CG2-CG 3.62Å
579	P	93.8	Very high	91.4	Very high	75 Å²	75	61.3 Å²	61.3	49%	0.487	32%	0.32	S	S	.	.			trans	-77.6	87.1	-177	31.2	-35.1	0	0	0	111.6	P639	P579-P639 WeakPolarHBondContact O-CG 3.16Å
580	M	92.1	Very high	91.6	Very high	35 Å²	35	60.5 Å²	60.5	17%	0.172	31%	0.314	C	S	.	.			trans	-65.8	146.2	178.8	-68.5	-56.6	162.7	0	0	112.6	C553 I578 I586 L598 M608 P639	C553-M580 HydrophobicContact CB-CE 3.57Å; I578-M580 HydrophobicContact CB-CE 3.89Å; I578-M580 HydrophobicContact CG2-CE 3.49Å; I578-M580 VanDerWaalsContact CG2-CE 3.49Å; I578-M580 HydrophobicContact CG2-SD 4.34Å; I578-M580 PolarHBondContact O-N 3.46Å; M580-I586 HydrophobicContact CE-CG1 4.17Å; M580-I586 HydrophobicContact CG-CG1 4.35Å; M580-I586 HydrophobicContact SD-CD1 4.2Å; M580-I586 HydrophobicContact SD-CG1 4.19Å; M580-L598 HydrophobicContact CE-CD1 3.29Å; M580-L598 HydrophobicContact SD-CD1 4.22Å; M580-M608 HydrophobicContact CE-CE 4.28Å; M580-P639 HydrophobicContact SD-CB 4.01Å; M580-P639 HydrophobicContact SD-CG 4.14Å
581	P	87	Confident	91.7	Very high	31 Å²	31	54.8 Å²	54.8	20%	0.201	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-75.3	144.5	178.4	30.3	-24.7	0	0	0	109.7	N583 K584 I606 I641	P581-N583 VanDerWaalsContact C-N 3.35Å; P581-N583 PolarHBondContact O-N 2.59Å; P581-N583 VanDerWaalsContact O-N 3.12Å; P581-K584 WeakPolarHBondContact O-CG 3.48Å; P581-K584 PolarHBondContact O-N 2.79Å; P581-K584 VanDerWaalsContact O-N 3.12Å; P581-I606 HydrophobicContact CG-CD1 4.25Å; P581-I641 HydrophobicContact CG-CD1 4.27Å; P581-I641 HydrophobicContact CG-CG1 4.02Å
582	S	73.8	Confident	91.7	Very high	102 Å²	102	51.6 Å²	51.6	71%	0.713	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	52.9	37.3	162.6	-48.2	0	0	0	0	116.7	K584	S582-K584 PolarHBondContact O-N 3.39Å
583	N	73.3	Confident	91.6	Very high	159 Å²	159	52.8 Å²	52.8	85%	0.85	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	50.1	30.5	-177.1	-71.8	-9.1	0	0	0	114.2	P581 K585	P581-N583 VanDerWaalsContact C-N 3.35Å; P581-N583 PolarHBondContact O-N 2.59Å; P581-N583 VanDerWaalsContact O-N 3.12Å; N583-K585 PolarHBondContact O-N 3.14Å
584	K	85.8	Confident	91.6	Very high	46 Å²	46	50.9 Å²	50.9	20%	0.2	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.9	131.7	175.8	-64.6	-69.2	179.9	-174.1	0	109.9	P581 S582 D602 I606	P581-K584 WeakPolarHBondContact O-CG 3.48Å; P581-K584 PolarHBondContact O-N 2.79Å; P581-K584 VanDerWaalsContact O-N 3.12Å; S582-K584 PolarHBondContact O-N 3.39Å; K584-D602 IonicContact NZ-OD1 3.48Å; K584-D602 IonicContact NZ-OD2 2.72Å; K584-D602 PolarHBondContact NZ-OD2 3.29Å; K584-I606 HydrophobicContact CB-CD1 4.1Å; K584-I606 HydrophobicContact CG-CD1 4.29Å
585	K	91	Very high	91.6	Very high	118 Å²	118	49.3 Å²	49.3	51%	0.513	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-92.6	120.9	174.4	-66.1	-177.3	178.1	-178.5	0	109.4	N583 S600 D601	N583-K585 PolarHBondContact O-N 3.14Å; K585-S600 CarbonylContact O-C 3.44Å; K585-S600 WeakPolarHBondContact O-CA 3.43Å; K585-S600 WeakPolarHBondContact O-CB 3.31Å; K585-D601 HydrophobicContact CB-CB 4.49Å; K585-D601 PolarHBondContact O-N 2.79Å
586	I	94.4	Very high	91.7	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.7	179.6	-56.2	-50.3	0	0	0	109.6	V547 G551 C553 M580 L598 I606	V547-I586 HydrophobicContact CG1-CB 4.19Å; V547-I586 HydrophobicContact CG1-CG2 4.17Å; V547-I586 HydrophobicContact CG2-CG2 4.08Å; G551-I586 WeakPolarHBondContact O-CB 3.49Å; G551-I586 PolarHBondContact O-N 3.42Å; C553-I586 VanDerWaalsContact SG-CG1 3.52Å; M580-I586 HydrophobicContact CE-CG1 4.17Å; M580-I586 HydrophobicContact CG-CG1 4.35Å; M580-I586 HydrophobicContact SD-CD1 4.2Å; M580-I586 HydrophobicContact SD-CG1 4.19Å; I586-L598 HydrophobicContact CD1-CB 4.06Å; I586-L598 HydrophobicContact CG1-CB 4.48Å; I586-L598 HydrophobicContact CG1-CD1 4.37Å; I586-L598 HydrophobicContact CG2-CB 4.01Å; I586-L598 HydrophobicContact CG2-CD2 4.28Å; I586-I606 HydrophobicContact CD1-CD1 3.76Å
587	V	93.2	Very high	91.7	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.309	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-26.9	179.8	-64.8	0	0	0	0	112.9	K535 L599 D601	K535-V587 PolarHBondContact NZ-O 2.98Å; V587-L599 HydrophobicContact CG2-CG 4.37Å; V587-L599 WeakPolarHBondContact CG2-O 3.4Å; V587-L599 PolarHBondContact N-O 3.37Å; V587-D601 HydrophobicContact CG1-CB 3.71Å
588	Y	93.1	Very high	91.8	Very high	73 Å²	73	40.1 Å²	40.1	29%	0.286	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156.2	-174.5	-176.9	-116.2	0	0	0	111.3	Y538 K590 L599 F652	Y538-Y588 HydrophobicContact CE1-CD2 4.43Å; Y538-Y588 HydrophobicContact CE1-CE2 4.35Å; Y538-Y588 WeakPolarHBondContact OH-CD2 3.34Å; Y588-K590 HydrophobicContact CE1-CG 4.35Å; Y588-K590 WeakPolarHBondContact OH-CE 3.39Å; Y588-K590 PolarHBondContact OH-NZ 3.47Å; Y588-L599 PolarHBondContact N-O 3.05Å; Y588-L599 PolarHBondContact O-N 2.89Å; Y588-F652 AromaticContact CD1-CE1 3.72Å; Y588-F652 HydrophobicContact CD1-CE1 3.72Å; Y588-F652 HydrophobicContact CD1-CZ 4.15Å; Y588-F652 AromaticContact CE1-CE1 4Å; Y588-F652 HydrophobicContact CE1-CE1 4Å; Y588-F652 HydrophobicContact CE1-CZ 4.3Å
589	G	95.4	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	160.9	-177.7	0	0	0	0	0	113.4	Y538 M597	Y538-G589 WeakPolarHBondContact CD1-O 3.18Å; Y538-G589 WeakPolarHBondContact CE1-O 3.43Å; Y538-G589 VanDerWaalsContact CE2-CA 3.48Å; Y538-G589 VanDerWaalsContact CE2-N 3.26Å; Y538-G589 PolarHBondContact OH-N 3.35Å; G589-M597 CarbonylContact C-O 3.56Å; G589-M597 WeakPolarHBondContact CA-O 3.44Å
590	K	96.5	Very high	91.5	Very high	44 Å²	44	36.8 Å²	36.8	19%	0.191	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.3	161.8	-61.3	-172.1	-172	169.6	0	109.6	Y588 M597 D651 F652 V654	Y588-K590 HydrophobicContact CE1-CG 4.35Å; Y588-K590 WeakPolarHBondContact OH-CE 3.39Å; Y588-K590 PolarHBondContact OH-NZ 3.47Å; K590-M597 PolarHBondContact N-O 2.77Å; K590-M597 PolarHBondContact O-N 2.84Å; K590-M597 VanDerWaalsContact O-O 3.08Å; K590-D651 WeakPolarHBondContact CE-OD1 3.3Å; K590-D651 IonicContact NZ-OD1 3.75Å; K590-D651 PolarHBondContact NZ-OD1 3.18Å; K590-D651 IonicContact NZ-OD2 3.41Å; K590-F652 HydrophobicContact CB-CD2 4.35Å; K590-F652 HydrophobicContact CB-CE2 3.7Å; K590-F652 HydrophobicContact CB-CZ 4.43Å; K590-F652 HydrophobicContact CD-CE2 4.48Å; K590-F652 WeakPolarHBondContact CD-O 3.28Å; K590-F652 WeakPolarHBondContact CE-O 3.29Å; K590-F652 HydrophobicContact CG-CD2 4.47Å; K590-F652 HydrophobicContact CG-CE2 3.95Å; K590-F652 HydrophobicContact CG-CZ 4.39Å; K590-F652 PolarHBondContact NZ-O 2.89Å; K590-V654 HydrophobicContact CB-CG2 4.15Å
591	A	95.8	Very high	91.2	Very high	18 Å²	18	38.7 Å²	38.7	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.5	175.6	0	0	0	0	0	109.4	G540	G540-A591 VanDerWaalsContact N-CB 3.26Å
592	G	93.4	Very high	90.7	Very high	6 Å²	6	41 Å²	41	6%	0.062	22%	0.215	C	C	.	.			trans	-100.2	-159.3	178	0	0	0	0	0	112.6	G540 H541 H543 D594 A595	G540-G592 WeakPolarHBondContact CA-O 3.19Å; H541-G592 PolarHBondContact N-O 2.86Å; H543-G592 PolarHBondContact CE1-O 2.77Å; G592-D594 PolarHBondContact O-N 2.78Å; G592-A595 PolarHBondContact N-O 2.8Å
593	K	92.8	Very high	90.9	Very high	63 Å²	63	36.7 Å²	36.7	27%	0.274	19%	0.187	S	C	.	.	S	Bend	trans	-55.1	-48.7	179.9	174.7	179.5	176	-173.2	0	113	H541 D739	H541-K593 WeakPolarHBondContact ND1-CG 3.37Å; K593-D739 IonicContact NZ-OD2 2.61Å; K593-D739 PolarHBondContact NZ-OD2 3.37Å; K593-D739 VanDerWaalsContact NZ-OD2 3.1Å
594	D	93.5	Very high	91.4	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	16%	0.156	C	C	.	.	S	Bend	trans	-149.7	17.7	-163.6	57.6	-15.5	0	0	0	111.1	Y561 G592 G609 S610 K615	Y561-D594 HydrophobicContact CD2-CB 3.65Å; Y561-D594 HydrophobicContact CE2-CB 4.19Å; Y561-D594 HydrophobicContact CG-CB 4.21Å; G592-D594 PolarHBondContact O-N 2.78Å; D594-G609 WeakPolarHBondContact O-CA 3.37Å; D594-S610 VanDerWaalsContact CG-CB 3.49Å; D594-S610 PolarHBondContact O-N 3Å; D594-S610 WeakPolarHBondContact OD2-CB 3.34Å; D594-S610 PolarHBondContact OD2-OG 3.35Å; D594-S610 VanDerWaalsContact OD2-OG 3.1Å; D594-K615 IonicContact OD1-NZ 3.79Å; D594-K615 PolarHBondContact OD1-NZ 2.97Å; D594-K615 IonicContact OD2-NZ 2.61Å; D594-K615 PolarHBondContact OD2-NZ 2.75Å
595	A	95.7	Very high	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.9	179.1	0	0	0	0	0	111.9	G592 M608 L616 V654	G592-A595 PolarHBondContact N-O 2.8Å; A595-M608 CarbonylContact C-O 3.54Å; A595-M608 WeakPolarHBondContact CA-O 3.36Å; A595-L616 HydrophobicContact CB-CD1 4.12Å; A595-L616 HydrophobicContact CB-CD2 3.96Å; A595-L616 HydrophobicContact CB-CG 4.42Å; A595-V654 HydrophobicContact CB-CG1 4.27Å
596	T	97.5	Very high	91.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.2	177.2	-57.6	0	0	0	0	108.9	H543 V545 Q563 L598 A607 M608	H543-T596 PolarHBondContact NE2-OG1 2.95Å; V545-T596 HydrophobicContact CG2-CG2 3.97Å; Q563-T596 WeakPolarHBondContact O-CB 3.47Å; Q563-T596 PolarHBondContact O-OG1 2.81Å; T596-L598 HydrophobicContact CG2-CD2 3.86Å; T596-L598 HydrophobicContact CG2-CG 3.98Å; T596-A607 WeakPolarHBondContact O-CA 3.4Å; T596-M608 PolarHBondContact N-O 3.2Å; T596-M608 PolarHBondContact O-N 2.76Å
597	M	97.1	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.9	170.2	-69.3	174.3	57.6	0	0	109.9	G589 K590 L605 I606 A607 L616 L642 F652 V654 V661 F671	G589-M597 CarbonylContact C-O 3.56Å; G589-M597 WeakPolarHBondContact CA-O 3.44Å; K590-M597 PolarHBondContact N-O 2.77Å; K590-M597 PolarHBondContact O-N 2.84Å; K590-M597 VanDerWaalsContact O-O 3.08Å; M597-L605 HydrophobicContact CE-CD1 4.04Å; M597-L605 HydrophobicContact CE-CD2 3.38Å; M597-L605 HydrophobicContact CE-CG 3.82Å; M597-I606 CarbonylContact C-O 3.5Å; M597-I606 VanDerWaalsContact CA-O 3.29Å; M597-I606 WeakPolarHBondContact CA-O 3.43Å; M597-A607 HydrophobicContact CG-CB 3.84Å; M597-L616 HydrophobicContact CG-CD2 3.91Å; M597-L616 HydrophobicContact SD-CD2 3.82Å; M597-L642 HydrophobicContact CE-CD1 3.99Å; M597-F652 HydrophobicContact CB-CD2 3.82Å; M597-F652 HydrophobicContact CB-CE2 3.4Å; M597-F652 VanDerWaalsContact CB-CE2 3.4Å; M597-F652 HydrophobicContact CB-CZ 4.11Å; M597-F652 HydrophobicContact CE-CB 4.42Å; M597-F652 HydrophobicContact CE-CD2 4.06Å; M597-F652 HydrophobicContact CE-CG 4.32Å; M597-F652 WeakPolarHBondContact O-CE2 3.42Å; M597-F652 VanDerWaalsContact O-CZ 3.27Å; M597-F652 WeakPolarHBondContact O-CZ 3.47Å; M597-V654 HydrophobicContact CB-CG2 3.71Å; M597-V654 HydrophobicContact CG-CG2 3.8Å; M597-V654 HydrophobicContact SD-CG1 4.43Å; M597-V654 HydrophobicContact SD-CG2 3.67Å; M597-V661 HydrophobicContact CE-CG1 4.48Å; M597-F671 HydrophobicContact CE-CZ 4.45Å
598	L	96.6	Very high	92	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.1	-174.3	-58.2	176	0	0	0	109.4	V545 M580 I586 T596 I606 M608	V545-L598 HydrophobicContact CG1-CD2 4.31Å; M580-L598 HydrophobicContact CE-CD1 3.29Å; M580-L598 HydrophobicContact SD-CD1 4.22Å; I586-L598 HydrophobicContact CD1-CB 4.06Å; I586-L598 HydrophobicContact CG1-CB 4.48Å; I586-L598 HydrophobicContact CG1-CD1 4.37Å; I586-L598 HydrophobicContact CG2-CB 4.01Å; I586-L598 HydrophobicContact CG2-CD2 4.28Å; T596-L598 HydrophobicContact CG2-CD2 3.86Å; T596-L598 HydrophobicContact CG2-CG 3.98Å; L598-I606 HydrophobicContact CB-CB 4.47Å; L598-I606 PolarHBondContact N-O 2.87Å; L598-I606 PolarHBondContact O-N 3.39Å; L598-M608 HydrophobicContact CD1-CE 3.74Å; L598-M608 HydrophobicContact CG-CE 4.48Å
599	L	94.1	Very high	92.1	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	176.1	-175	68.4	0	0	0	109.5	V587 Y588 L605 V649 F652	V587-L599 HydrophobicContact CG2-CG 4.37Å; V587-L599 WeakPolarHBondContact CG2-O 3.4Å; V587-L599 PolarHBondContact N-O 3.37Å; Y588-L599 PolarHBondContact N-O 3.05Å; Y588-L599 PolarHBondContact O-N 2.89Å; L599-L605 HydrophobicContact CD1-CD1 4.39Å; L599-V649 HydrophobicContact CD1-CB 4.43Å; L599-F652 HydrophobicContact CB-CE1 3.99Å
600	S	90.3	Very high	92	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	162.7	174.8	55.4	0	0	0	0	112.8	K585 D602 G603 S604	K585-S600 CarbonylContact O-C 3.44Å; K585-S600 WeakPolarHBondContact O-CA 3.43Å; K585-S600 WeakPolarHBondContact O-CB 3.31Å; S600-D602 PolarHBondContact O-N 3.2Å; S600-D602 PolarHBondContact OG-OD1 2.69Å; S600-G603 PolarHBondContact O-N 2.84Å; S600-S604 PolarHBondContact N-O 2.89Å; S600-S604 WeakPolarHBondContact OG-CA 3.5Å; S600-S604 VanDerWaalsContact OG-CB 3.25Å; S600-S604 WeakPolarHBondContact OG-CB 3.48Å; S600-S604 PolarHBondContact OG-N 3.27Å; S600-S604 PolarHBondContact OG-O 2.82Å
601	D	84.4	Confident	91.7	Very high	75 Å²	75	15.2 Å²	15.2	40%	0.401	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.9	179.7	58.8	-14.3	0	0	0	114	K585 V587 G603 R648	K585-D601 HydrophobicContact CB-CB 4.49Å; K585-D601 PolarHBondContact O-N 2.79Å; V587-D601 HydrophobicContact CG1-CB 3.71Å; D601-G603 VanDerWaalsContact C-N 3.26Å; D601-G603 PolarHBondContact O-N 2.85Å; D601-R648 PolarHBondContact O-NH2 2.86Å
602	D	77.2	Confident	91.3	Very high	78 Å²	78	17 Å²	17	42%	0.417	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	0.3	175.8	77.1	2.4	0	0	0	114.8	K584 S600 S604	K584-D602 IonicContact NZ-OD1 3.48Å; K584-D602 IonicContact NZ-OD2 2.72Å; K584-D602 PolarHBondContact NZ-OD2 3.29Å; S600-D602 PolarHBondContact O-N 3.2Å; S600-D602 PolarHBondContact OG-OD1 2.69Å; D602-S604 VanDerWaalsContact OD1-CB 3.25Å; D602-S604 WeakPolarHBondContact OD1-CB 3.45Å; D602-S604 PolarHBondContact OD1-N 2.78Å; D602-S604 PolarHBondContact OD1-OG 2.91Å; D602-S604 PolarHBondContact OD2-OG 2.98Å
603	G	77.1	Confident	90.9	Very high	12 Å²	12	19.7 Å²	19.7	12%	0.124	10%	0.103	C	C	.	.	S	Bend	trans	88.3	4	179	0	0	0	0	0	115.2	S600 D601 L605	S600-G603 PolarHBondContact O-N 2.84Å; D601-G603 VanDerWaalsContact C-N 3.26Å; D601-G603 PolarHBondContact O-N 2.85Å; G603-L605 PolarHBondContact O-N 2.95Å
604	S	85.1	Confident	90.6	Very high	29 Å²	29	17.2 Å²	17.2	20%	0.203	9%	0.093	C	C	.	.			trans	-70.2	130.7	173.2	-48.4	0	0	0	0	110.4	S600 D602	S600-S604 PolarHBondContact N-O 2.89Å; S600-S604 WeakPolarHBondContact OG-CA 3.5Å; S600-S604 VanDerWaalsContact OG-CB 3.25Å; S600-S604 WeakPolarHBondContact OG-CB 3.48Å; S600-S604 PolarHBondContact OG-N 3.27Å; S600-S604 PolarHBondContact OG-O 2.82Å; D602-S604 VanDerWaalsContact OD1-CB 3.25Å; D602-S604 WeakPolarHBondContact OD1-CB 3.45Å; D602-S604 PolarHBondContact OD1-N 2.78Å; D602-S604 PolarHBondContact OD1-OG 2.91Å; D602-S604 PolarHBondContact OD2-OG 2.98Å
605	L	92.6	Very high	90.4	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.1	174.1	-168.1	61.3	0	0	0	109.4	M597 L599 G603 L642 F645 V649 F652 V661	M597-L605 HydrophobicContact CE-CD1 4.04Å; M597-L605 HydrophobicContact CE-CD2 3.38Å; M597-L605 HydrophobicContact CE-CG 3.82Å; L599-L605 HydrophobicContact CD1-CD1 4.39Å; G603-L605 PolarHBondContact O-N 2.95Å; L605-L642 HydrophobicContact CB-CB 4.47Å; L605-L642 HydrophobicContact CD2-CD1 3.98Å; L605-L642 HydrophobicContact CG-CD1 4.08Å; L605-L642 PolarHBondContact O-N 2.76Å; L605-F645 HydrophobicContact CD2-CE2 3.88Å; L605-F645 HydrophobicContact CD2-CZ 4.3Å; L605-V649 HydrophobicContact CD2-CG1 4.23Å; L605-V649 HydrophobicContact CD2-CG2 4.18Å; L605-F652 HydrophobicContact CD1-CD1 3.71Å; L605-F652 HydrophobicContact CD1-CE1 3.74Å; L605-F652 HydrophobicContact CD1-CG 4.18Å; L605-F652 HydrophobicContact CD1-CZ 4.22Å; L605-V661 HydrophobicContact CD2-CG1 3.83Å
606	I	94	Very high	90.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	-175.3	-62.5	162.7	0	0	0	107.8	P581 K584 I586 M597 L598 M608 P639 T640 I641	P581-I606 HydrophobicContact CG-CD1 4.25Å; K584-I606 HydrophobicContact CB-CD1 4.1Å; K584-I606 HydrophobicContact CG-CD1 4.29Å; I586-I606 HydrophobicContact CD1-CD1 3.76Å; M597-I606 CarbonylContact C-O 3.5Å; M597-I606 VanDerWaalsContact CA-O 3.29Å; M597-I606 WeakPolarHBondContact CA-O 3.43Å; L598-I606 HydrophobicContact CB-CB 4.47Å; L598-I606 PolarHBondContact N-O 2.87Å; L598-I606 PolarHBondContact O-N 3.39Å; I606-M608 HydrophobicContact CG2-CE 4.35Å; I606-P639 HydrophobicContact CG2-CB 3.74Å; I606-T640 CarbonylContact C-O 3.55Å; I606-T640 WeakPolarHBondContact CA-O 3.45Å; I606-I641 HydrophobicContact CG1-CG1 4.01Å
607	A	95.3	Very high	89.7	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154	178.1	0	0	0	0	0	112.5	T596 M597 L616 T640 L642	T596-A607 WeakPolarHBondContact O-CA 3.4Å; M597-A607 HydrophobicContact CG-CB 3.84Å; A607-L616 HydrophobicContact CB-CB 4.25Å; A607-L616 HydrophobicContact CB-CD1 4.13Å; A607-L616 HydrophobicContact CB-CD2 4.09Å; A607-L616 HydrophobicContact CB-CG 4.4Å; A607-T640 PolarHBondContact N-O 2.72Å; A607-T640 PolarHBondContact O-N 3.4Å; A607-L642 HydrophobicContact CB-CD1 3.94Å; A607-L642 HydrophobicContact CB-CD2 3.78Å; A607-L642 HydrophobicContact CB-CG 3.94Å
608	M	95.1	Very high	88.9	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	152.7	174.3	60.9	-161.8	82.3	0	0	109.4	Q563 G565 I578 M580 A595 T596 L598 I606 P639	Q563-M608 WeakPolarHBondContact O-CG 3.37Å; G565-M608 VanDerWaalsContact CA-SD 3.59Å; G565-M608 PolarHBondContact N-SD 3.04Å; G565-M608 VanDerWaalsContact N-SD 3.39Å; I578-M608 HydrophobicContact CG2-CE 4.32Å; I578-M608 HydrophobicContact CG2-SD 4.18Å; M580-M608 HydrophobicContact CE-CE 4.28Å; A595-M608 CarbonylContact C-O 3.54Å; A595-M608 WeakPolarHBondContact CA-O 3.36Å; T596-M608 PolarHBondContact N-O 3.2Å; T596-M608 PolarHBondContact O-N 2.76Å; L598-M608 HydrophobicContact CD1-CE 3.74Å; L598-M608 HydrophobicContact CG-CE 4.48Å; I606-M608 HydrophobicContact CG2-CE 4.35Å; M608-P639 HydrophobicContact CE-CB 3.69Å; M608-P639 HydrophobicContact CE-CG 3.61Å; M608-P639 HydrophobicContact SD-CG 4.17Å
609	G	95.1	Very high	87.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.3	-160	-175.4	0	0	0	0	0	114.5	Y561 G562 D594 N611 Y635 V636	Y561-G609 CarbonylContact O-C 3.58Å; Y561-G609 WeakPolarHBondContact O-CA 3.38Å; G562-G609 PolarHBondContact O-N 3.24Å; D594-G609 WeakPolarHBondContact O-CA 3.37Å; G609-N611 PolarHBondContact O-N 2.99Å; G609-Y635 CarbonylContact O-C 3.24Å; G609-Y635 VanDerWaalsContact O-CA 3.28Å; G609-Y635 WeakPolarHBondContact O-CA 3.2Å; G609-V636 PolarHBondContact N-O 3.43Å; G609-V636 PolarHBondContact O-N 3.1Å
610	S	92.6	Very high	86.1	Confident	7 Å²	7	22.1 Å²	22.1	5%	0.049	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.6	-179.8	177.6	0	0	0	0	112.4	D594 K612 K615 L616	D594-S610 VanDerWaalsContact CG-CB 3.49Å; D594-S610 PolarHBondContact O-N 3Å; D594-S610 WeakPolarHBondContact OD2-CB 3.34Å; D594-S610 PolarHBondContact OD2-OG 3.35Å; D594-S610 VanDerWaalsContact OD2-OG 3.1Å; S610-K612 PolarHBondContact OG-N 3.16Å; S610-K615 WeakPolarHBondContact O-CE 3.4Å; S610-L616 VanDerWaalsContact O-CD1 3.25Å; S610-L616 WeakPolarHBondContact O-CD1 3.37Å; S610-L616 WeakPolarHBondContact O-CG 3.22Å
611	N	90.5	Very high	84.4	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.136	C	C	.	.			trans	-107	22.9	169.4	-168.9	46.7	0	0	0	112	G609 H613 N614 L616 L618 T619 D634	G609-N611 PolarHBondContact O-N 2.99Å; N611-H613 PolarHBondContact O-N 3Å; N611-N614 PolarHBondContact ND2-OD1 3.21Å; N611-N614 WeakPolarHBondContact O-CA 3.36Å; N611-N614 PolarHBondContact O-N 2.94Å; N611-N614 VanDerWaalsContact OD1-C 3.31Å; N611-N614 WeakPolarHBondContact OD1-CA 3.39Å; N611-L616 HydrophobicContact CB-CB 4.38Å; N611-L616 HydrophobicContact CB-CD1 4.41Å; N611-L616 WeakPolarHBondContact OD1-CA 3.33Å; N611-L616 VanDerWaalsContact OD1-CB 3.32Å; N611-L616 WeakPolarHBondContact OD1-CB 3.07Å; N611-L616 PolarHBondContact OD1-N 2.86Å; N611-L618 HydrophobicContact CB-CD1 4.05Å; N611-T619 PolarHBondContact ND2-OG1 2.9Å; N611-D634 CarbonylContact C-O 3.52Å; N611-D634 WeakPolarHBondContact CA-O 3.2Å; N611-D634 PolarHBondContact N-O 3.34Å
612	K	87.3	Confident	82.7	Confident	57 Å²	57	29 Å²	29	25%	0.248	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-50.7	135.9	171.7	-165	177.5	175.9	173.9	0	109.3	S610 N614 K615 D634 D739	S610-K612 PolarHBondContact OG-N 3.16Å; K612-N614 PolarHBondContact O-N 3.25Å; K612-K615 WeakPolarHBondContact O-CG 3.35Å; K612-K615 PolarHBondContact O-N 3.11Å; K612-D634 PolarHBondContact N-O 3.23Å; K612-D739 IonicContact NZ-OD1 4Å; K612-D739 PolarHBondContact NZ-OD1 3.17Å
613	H	84.8	Confident	81	Confident	61 Å²	61	27.6 Å²	27.6	28%	0.282	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	60.7	13.5	-172.4	-46.2	-72.7	0	0	0	116.4	N611 K615 Y657 G672 R673	N611-H613 PolarHBondContact O-N 3Å; H613-K615 VanDerWaalsContact C-N 3.28Å; H613-K615 PolarHBondContact O-N 3Å; H613-Y657 AromaticContact CD2-CD1 3.98Å; H613-Y657 AromaticContact NE2-CD1 3.91Å; H613-G672 CarbonylContact O-C 3.45Å; H613-G672 VanDerWaalsContact O-C 3.24Å; H613-G672 WeakPolarHBondContact O-CA 3.33Å; H613-R673 HydrophobicContact CB-CB 3.95Å
614	N	86.7	Confident	79.4	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.064	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	62.5	29.5	-172.7	-160.6	37.5	0	0	0	114	N611 K612 L616 N617 L618 T619	N611-N614 PolarHBondContact ND2-OD1 3.21Å; N611-N614 WeakPolarHBondContact O-CA 3.36Å; N611-N614 PolarHBondContact O-N 2.94Å; N611-N614 VanDerWaalsContact OD1-C 3.31Å; N611-N614 WeakPolarHBondContact OD1-CA 3.39Å; K612-N614 PolarHBondContact O-N 3.25Å; N614-L616 PolarHBondContact O-N 3.01Å; N614-L616 VanDerWaalsContact O-N 3.13Å; N614-N617 PolarHBondContact O-N 2.91Å; N614-N617 WeakPolarHBondContact OD1-CA 3.26Å; N614-L618 PolarHBondContact OD1-N 2.86Å; N614-L618 VanDerWaalsContact OD1-N 3.08Å; N614-T619 PolarHBondContact ND2-O 2.86Å; N614-T619 WeakPolarHBondContact OD1-CB 3.27Å; N614-T619 PolarHBondContact OD1-N 2.98Å
615	K	89.9	Confident	77.5	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.7	-179.4	72.7	-179.6	169.6	-172.5	0	114.7	D594 S610 K612 H613 S656 S659 F671	D594-K615 IonicContact OD1-NZ 3.79Å; D594-K615 PolarHBondContact OD1-NZ 2.97Å; D594-K615 IonicContact OD2-NZ 2.61Å; D594-K615 PolarHBondContact OD2-NZ 2.75Å; S610-K615 WeakPolarHBondContact O-CE 3.4Å; K612-K615 WeakPolarHBondContact O-CG 3.35Å; K612-K615 PolarHBondContact O-N 3.11Å; H613-K615 VanDerWaalsContact C-N 3.28Å; H613-K615 PolarHBondContact O-N 3Å; K615-S656 WeakPolarHBondContact CD-O 3.35Å; K615-S656 PolarHBondContact NZ-O 2.83Å; K615-S659 WeakPolarHBondContact O-CB 3.41Å; K615-S659 PolarHBondContact O-OG 3.39Å; K615-F671 WeakPolarHBondContact O-CD2 3.29Å; K615-F671 WeakPolarHBondContact O-CE2 3.3Å
616	L	90.8	Very high	75.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	5.4	171.9	-60	-178.6	0	0	0	112.2	A595 M597 A607 S610 N611 N614 L618 L642	A595-L616 HydrophobicContact CB-CD1 4.12Å; A595-L616 HydrophobicContact CB-CD2 3.96Å; A595-L616 HydrophobicContact CB-CG 4.42Å; M597-L616 HydrophobicContact CG-CD2 3.91Å; M597-L616 HydrophobicContact SD-CD2 3.82Å; A607-L616 HydrophobicContact CB-CB 4.25Å; A607-L616 HydrophobicContact CB-CD1 4.13Å; A607-L616 HydrophobicContact CB-CD2 4.09Å; A607-L616 HydrophobicContact CB-CG 4.4Å; S610-L616 VanDerWaalsContact O-CD1 3.25Å; S610-L616 WeakPolarHBondContact O-CD1 3.37Å; S610-L616 WeakPolarHBondContact O-CG 3.22Å; N611-L616 HydrophobicContact CB-CB 4.38Å; N611-L616 HydrophobicContact CB-CD1 4.41Å; N611-L616 WeakPolarHBondContact OD1-CA 3.33Å; N611-L616 VanDerWaalsContact OD1-CB 3.32Å; N611-L616 WeakPolarHBondContact OD1-CB 3.07Å; N611-L616 PolarHBondContact OD1-N 2.86Å; N614-L616 PolarHBondContact O-N 3.01Å; N614-L616 VanDerWaalsContact O-N 3.13Å; L616-L618 HydrophobicContact CB-CD1 3.78Å; L616-L618 HydrophobicContact CB-CG 4.04Å; L616-L618 HydrophobicContact CD1-CD1 4.1Å; L616-L618 PolarHBondContact O-N 2.83Å; L616-L642 VanDerWaalsContact O-CD1 3.26Å; L616-L642 WeakPolarHBondContact O-CD1 3.26Å; L616-L642 WeakPolarHBondContact O-CD2 3.27Å
617	N	87.9	Confident	73	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.016	28%	0.282	C	S	.	.	S	Bend	trans	57	30.9	178.7	-166.4	25.6	0	0	0	114.2	N614 Q620 F671 V692	N614-N617 PolarHBondContact O-N 2.91Å; N614-N617 WeakPolarHBondContact OD1-CA 3.26Å; N617-Q620 PolarHBondContact ND2-NE2 3.37Å; N617-Q620 PolarHBondContact O-NE2 3.12Å; N617-Q620 PolarHBondContact OD1-NE2 2.76Å; N617-F671 HydrophobicContact CB-CD1 4.38Å; N617-F671 HydrophobicContact CB-CD2 3.6Å; N617-F671 HydrophobicContact CB-CE1 4.46Å; N617-F671 HydrophobicContact CB-CE2 3.66Å; N617-F671 HydrophobicContact CB-CG 3.96Å; N617-F671 HydrophobicContact CB-CZ 4.12Å; N617-V692 VanDerWaalsContact CG-CG2 3.5Å; N617-V692 WeakPolarHBondContact ND2-CG2 3.38Å; N617-V692 VanDerWaalsContact OD1-CG2 3.3Å; N617-V692 WeakPolarHBondContact OD1-CG2 3.3Å
618	L	79.6	Confident	71	Confident	34 Å²	34	61.2 Å²	61.2	18%	0.178	30%	0.302	C	S	.	.			trans	-87.2	-18.6	-178	-70.4	162.6	0	0	0	113.4	N611 N614 L616 V636 T640 L642	N611-L618 HydrophobicContact CB-CD1 4.05Å; N614-L618 PolarHBondContact OD1-N 2.86Å; N614-L618 VanDerWaalsContact OD1-N 3.08Å; L616-L618 HydrophobicContact CB-CD1 3.78Å; L616-L618 HydrophobicContact CB-CG 4.04Å; L616-L618 HydrophobicContact CD1-CD1 4.1Å; L616-L618 PolarHBondContact O-N 2.83Å; L618-V636 HydrophobicContact CD1-CB 3.99Å; L618-V636 HydrophobicContact CD1-CG2 3.44Å; L618-V636 VanDerWaalsContact CD1-CG2 3.44Å; L618-T640 HydrophobicContact CD2-CG2 3.68Å; L618-L642 HydrophobicContact CD2-CD2 3.37Å; L618-L642 HydrophobicContact CG-CD2 3.76Å
619	T	72.2	Confident	68.8	Low	35 Å²	35	69.8 Å²	69.8	22%	0.215	34%	0.34	C	S	.	.			trans	-99.5	93.8	178.2	-52.6	0	0	0	0	109.2	N611 N614	N611-T619 PolarHBondContact ND2-OG1 2.9Å; N614-T619 PolarHBondContact ND2-O 2.86Å; N614-T619 WeakPolarHBondContact OD1-CB 3.27Å; N614-T619 PolarHBondContact OD1-N 2.98Å
620	Q	60.8	Low	66.7	Low	54 Å²	54	77.3 Å²	77.3	25%	0.252	37%	0.372	S	S	.	.			trans	-118.4	147.7	177.2	-67.2	-176.2	-2.8	0	0	112	N617 Q643	N617-Q620 PolarHBondContact ND2-NE2 3.37Å; N617-Q620 PolarHBondContact O-NE2 3.12Å; N617-Q620 PolarHBondContact OD1-NE2 2.76Å; Q620-Q643 PolarHBondContact NE2-O 2.65Å; Q620-Q643 PolarHBondContact OE1-O 3.34Å
621	R	54.4	Low	64.8	Low	99 Å²	99	79.1 Å²	79.1	37%	0.374	38%	0.383	S	S	.	.			trans	-95.9	117.7	174.9	-167.7	175.5	-178.1	-172.5	-6.5	109.9	G623 F624 T626	R621-G623 PolarHBondContact O-N 3.03Å; R621-F624 PolarHBondContact NH2-O 2.91Å; R621-F624 VanDerWaalsContact NH2-O 3.1Å; R621-T626 PolarHBondContact NE-O 3.31Å
622	V	48.4	Very low	63	Low	120 Å²	120	85.2 Å²	85.2	73%	0.727	42%	0.423	S	S	*	.			trans	-92	81.3	-177.8	-173.4	0	0	0	0	110.7	T626	V622-T626 WeakPolarHBondContact O-CB 3.36Å; V622-T626 WeakPolarHBondContact O-CG2 3.34Å; V622-T626 PolarHBondContact O-OG1 3.02Å
623	G	42.1	Very low	61.9	Low	48 Å²	48	86.1 Å²	86.1	50%	0.495	43%	0.43	S	S	.	.	S	Bend	trans	99.9	166.5	175.2	0	0	0	0	0	115.8	R621 F625 T626	R621-G623 PolarHBondContact O-N 3.03Å; G623-F625 PolarHBondContact O-N 3.03Å; G623-T626 PolarHBondContact O-OG1 3.36Å
624	F	42.5	Very low	61.5	Low	192 Å²	192	88.7 Å²	88.7	84%	0.842	45%	0.446	S	S	*	.	S	Bend	trans	-65.4	-32.2	-172.9	-97.6	-92.4	0	0	0	114	R621	R621-F624 PolarHBondContact NH2-O 2.91Å; R621-F624 VanDerWaalsContact NH2-O 3.1Å
625	F	44.7	Very low	61.4	Low	205 Å²	205	91 Å²	91	90%	0.899	45%	0.454	S	S	*	.	S	Bend	trans	-106.3	-3.5	-172	-65.8	-77.6	0	0	0	115	G623	G623-F625 PolarHBondContact O-N 3.03Å
626	T	46.1	Very low	61.4	Low	63 Å²	63	91.8 Å²	91.8	39%	0.387	46%	0.459	S	S	.	.	S	Bend	trans	-86.6	141.4	-179.7	54.6	0	0	0	0	111.5	R621 V622 G623	R621-T626 PolarHBondContact NE-O 3.31Å; V622-T626 WeakPolarHBondContact O-CB 3.36Å; V622-T626 WeakPolarHBondContact O-CG2 3.34Å; V622-T626 PolarHBondContact O-OG1 3.02Å; G623-T626 PolarHBondContact O-OG1 3.36Å
627	K	47.4	Very low	61.3	Low	200 Å²	200	94.6 Å²	94.6	87%	0.87	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-66.9	143.3	170.5	-74.1	-177.6	177	179.1	0	109.4	K629	K627-K629 PolarHBondContact O-N 2.95Å
628	E	51.8	Low	61.4	Low	92 Å²	92	100.9 Å²	100.9	43%	0.43	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-53.3	122	171.8	-75.2	176.6	-179.9	0	0	109.6	K630	E628-K630 PolarHBondContact O-N 3.36Å
629	K	49.8	Very low	62.1	Low	180 Å²	180	99.8 Å²	99.8	78%	0.783	50%	0.496	S	S	*	.			trans	-80.4	79.2	171.3	-160.2	178.1	-174.7	-178.6	0	107.1	K627 T631	K627-K629 PolarHBondContact O-N 2.95Å; K629-T631 PolarHBondContact O-N 3.48Å
630	K	50.4	Low	63	Low	158 Å²	158	99.8 Å²	99.8	69%	0.687	50%	0.496	S	S	*	.			trans	-59.9	128.2	170.3	-77.2	-172.7	174.8	-173.4	0	108.1	E628	E628-K630 PolarHBondContact O-N 3.36Å
631	T	52.6	Low	64.4	Low	44 Å²	44	99.4 Å²	99.4	27%	0.27	50%	0.496	S	S	.	.			trans	-61.3	138.7	164.1	47.3	0	0	0	0	107.6	K629 N633	K629-T631 PolarHBondContact O-N 3.48Å; T631-N633 WeakPolarHBondContact CB-O 3.28Å; T631-N633 PolarHBondContact O-N 3.39Å; T631-N633 VanDerWaalsContact O-N 3.15Å; T631-N633 PolarHBondContact OG1-O 3.01Å
632	P	52.4	Low	66	Low	132 Å²	132	95.2 Å²	95.2	86%	0.857	48%	0.48	S	S	*	.	S	Bend	trans	-58.3	-28.7	-178.7	-23.8	33.2	0	0	0	113
633	N	64.3	Low	67.3	Low	75 Å²	75	95.6 Å²	95.6	40%	0.401	47%	0.474	S	S	.	.	S	Bend	trans	-119.9	150.9	178.7	-64.2	-14.4	0	0	0	110.1	T631 Y635	T631-N633 WeakPolarHBondContact CB-O 3.28Å; T631-N633 PolarHBondContact O-N 3.39Å; T631-N633 VanDerWaalsContact O-N 3.15Å; T631-N633 PolarHBondContact OG1-O 3.01Å; N633-Y635 HydrophobicContact CB-CD1 3.87Å; N633-Y635 HydrophobicContact CB-CE1 3.65Å; N633-Y635 HydrophobicContact CB-CE2 4.4Å; N633-Y635 HydrophobicContact CB-CG 4.34Å; N633-Y635 VanDerWaalsContact ND2-CZ 3.32Å; N633-Y635 PolarHBondContact ND2-OH 3.48Å; N633-Y635 PolarHBondContact O-N 2.92Å
634	D	77.5	Confident	68.6	Low	115 Å²	115	95.3 Å²	95.3	62%	0.615	47%	0.471	S	S	*	.	S	Bend	trans	-75	18.4	173.6	-73.1	-29.1	0	0	0	113	N611 K612	N611-D634 CarbonylContact C-O 3.52Å; N611-D634 WeakPolarHBondContact CA-O 3.2Å; N611-D634 PolarHBondContact N-O 3.34Å; K612-D634 PolarHBondContact N-O 3.23Å
635	Y	84.6	Confident	70.4	Confident	62 Å²	62	87.9 Å²	87.9	24%	0.243	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164.3	179.3	66	-96	0	0	0	111.5	Y561 L569 G609 N633 N637	Y561-Y635 WeakPolarHBondContact O-CB 3.14Å; L569-Y635 HydrophobicContact CD1-CE2 4.06Å; L569-Y635 WeakPolarHBondContact CD1-OH 3.45Å; L569-Y635 HydrophobicContact CD2-CD2 4.39Å; L569-Y635 HydrophobicContact CD2-CE2 3.93Å; G609-Y635 CarbonylContact O-C 3.24Å; G609-Y635 VanDerWaalsContact O-CA 3.28Å; G609-Y635 WeakPolarHBondContact O-CA 3.2Å; N633-Y635 HydrophobicContact CB-CD1 3.87Å; N633-Y635 HydrophobicContact CB-CE1 3.65Å; N633-Y635 HydrophobicContact CB-CE2 4.4Å; N633-Y635 HydrophobicContact CB-CG 4.34Å; N633-Y635 VanDerWaalsContact ND2-CZ 3.32Å; N633-Y635 PolarHBondContact ND2-OH 3.48Å; N633-Y635 PolarHBondContact O-N 2.92Å; Y635-N637 HydrophobicContact CD2-CB 4.43Å; Y635-N637 HydrophobicContact CE2-CB 4.36Å
636	V	88.4	Confident	71.8	Confident	17 Å²	17	82.2 Å²	82.2	10%	0.103	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.9	177.2	171.9	0	0	0	0	109.9	G609 L618 K638 T640	G609-V636 PolarHBondContact N-O 3.43Å; G609-V636 PolarHBondContact O-N 3.1Å; L618-V636 HydrophobicContact CD1-CB 3.99Å; L618-V636 HydrophobicContact CD1-CG2 3.44Å; L618-V636 VanDerWaalsContact CD1-CG2 3.44Å; V636-K638 VanDerWaalsContact C-N 3.34Å; V636-K638 HydrophobicContact CG1-CG 4.32Å; V636-K638 WeakPolarHBondContact CG1-O 3.2Å; V636-K638 PolarHBondContact O-N 3.46Å; V636-T640 WeakPolarHBondContact CG1-OG1 3.46Å
637	N	88.5	Confident	73.3	Confident	58 Å²	58	81.2 Å²	81.2	31%	0.31	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	14.4	-175.9	67.6	-20.3	0	0	0	114.2	G565 L566 L569 Y635	G565-N637 CarbonylContact C-O 3.53Å; G565-N637 WeakPolarHBondContact CA-O 3.16Å; L566-N637 VanDerWaalsContact O-O 3.07Å; L569-N637 HydrophobicContact CD2-CB 4Å; Y635-N637 HydrophobicContact CD2-CB 4.43Å; Y635-N637 HydrophobicContact CE2-CB 4.36Å
638	K	90.5	Very high	74.8	Confident	135 Å²	135	76.5 Å²	76.5	59%	0.587	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.5	174	64.8	-179	-178.3	177.8	0	110	V636 T640	V636-K638 VanDerWaalsContact C-N 3.34Å; V636-K638 HydrophobicContact CG1-CG 4.32Å; V636-K638 WeakPolarHBondContact CG1-O 3.2Å; V636-K638 PolarHBondContact O-N 3.46Å; K638-T640 PolarHBondContact O-N 3.33Å; K638-T640 PolarHBondContact O-OG1 2.97Å
639	P	93.9	Very high	76.4	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.071	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	116.8	176.2	-28.1	38.6	0	0	0	111	G565 I578 P579 M580 I606 M608	G565-P639 WeakPolarHBondContact O-CD 3.15Å; I578-P639 HydrophobicContact CG2-CG 3.62Å; P579-P639 WeakPolarHBondContact O-CG 3.16Å; M580-P639 HydrophobicContact SD-CB 4.01Å; M580-P639 HydrophobicContact SD-CG 4.14Å; I606-P639 HydrophobicContact CG2-CB 3.74Å; M608-P639 HydrophobicContact CE-CB 3.69Å; M608-P639 HydrophobicContact CE-CG 3.61Å; M608-P639 HydrophobicContact SD-CG 4.17Å
640	T	91.8	Very high	78	Confident	36 Å²	36	67 Å²	67	22%	0.221	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.2	-172.9	-63.8	0	0	0	0	110.4	I606 A607 L618 V636 K638 L642	I606-T640 CarbonylContact C-O 3.55Å; I606-T640 WeakPolarHBondContact CA-O 3.45Å; A607-T640 PolarHBondContact N-O 2.72Å; A607-T640 PolarHBondContact O-N 3.4Å; L618-T640 HydrophobicContact CD2-CG2 3.68Å; V636-T640 WeakPolarHBondContact CG1-OG1 3.46Å; K638-T640 PolarHBondContact O-N 3.33Å; K638-T640 PolarHBondContact O-OG1 2.97Å; T640-L642 PolarHBondContact O-N 2.72Å
641	I	90	Very high	79.8	Confident	46 Å²	46	60.4 Å²	60.4	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.6	178.3	-58.9	169.7	0	0	0	108.9	P581 I606	P581-I641 HydrophobicContact CG-CD1 4.27Å; P581-I641 HydrophobicContact CG-CG1 4.02Å; I606-I641 HydrophobicContact CG1-CG1 4.01Å
642	L	88	Confident	81.9	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.052	31%	0.313	C	S	.	.			trans	-75.2	135.4	173.6	-57.7	-169.9	0	0	0	109.9	M597 L605 A607 L616 L618 T640 F645	M597-L642 HydrophobicContact CE-CD1 3.99Å; L605-L642 HydrophobicContact CB-CB 4.47Å; L605-L642 HydrophobicContact CD2-CD1 3.98Å; L605-L642 HydrophobicContact CG-CD1 4.08Å; L605-L642 PolarHBondContact O-N 2.76Å; A607-L642 HydrophobicContact CB-CD1 3.94Å; A607-L642 HydrophobicContact CB-CD2 3.78Å; A607-L642 HydrophobicContact CB-CG 3.94Å; L616-L642 VanDerWaalsContact O-CD1 3.26Å; L616-L642 WeakPolarHBondContact O-CD1 3.26Å; L616-L642 WeakPolarHBondContact O-CD2 3.27Å; L618-L642 HydrophobicContact CD2-CD2 3.37Å; L618-L642 HydrophobicContact CG-CD2 3.76Å; T640-L642 PolarHBondContact O-N 2.72Å; L642-F645 HydrophobicContact CB-CE2 4.12Å
643	Q	76.8	Confident	83.9	Confident	129 Å²	129	52.3 Å²	52.3	60%	0.603	27%	0.274	S	S	*	.			trans	-112.5	164	177.6	-62.4	-64	-37.5	0	0	109.6	Q620	Q620-Q643 PolarHBondContact NE2-O 2.65Å; Q620-Q643 PolarHBondContact OE1-O 3.34Å
644	G	68.4	Low	85.4	Confident	42 Å²	42	49.5 Å²	49.5	43%	0.433	26%	0.26	S	S	.	.			trans	94.3	19.7	169.7	0	0	0	0	0	116.5
645	F	81.2	Confident	86.1	Confident	36 Å²	36	44.2 Å²	44.2	16%	0.158	23%	0.232	C	C	.	.			trans	-97.4	136.9	164.2	-57.8	-67.4	0	0	0	109.9	L605 L642 E647 V649 V661 L663 M669 F671	L605-F645 HydrophobicContact CD2-CE2 3.88Å; L605-F645 HydrophobicContact CD2-CZ 4.3Å; L642-F645 HydrophobicContact CB-CE2 4.12Å; F645-E647 VanDerWaalsContact C-N 3.28Å; F645-E647 PolarHBondContact O-N 3.41Å; F645-V649 HydrophobicContact CB-CG2 4.43Å; F645-V649 HydrophobicContact CD2-CG2 3.99Å; F645-V649 HydrophobicContact CE2-CG2 4.43Å; F645-V649 HydrophobicContact CG-CG2 4.08Å; F645-V661 HydrophobicContact CD1-CG2 3.84Å; F645-V661 HydrophobicContact CE1-CG1 4.28Å; F645-V661 HydrophobicContact CE1-CG2 3.48Å; F645-V661 VanDerWaalsContact CE1-CG2 3.48Å; F645-V661 HydrophobicContact CZ-CG1 4.09Å; F645-V661 HydrophobicContact CZ-CG2 4.12Å; F645-L663 HydrophobicContact CB-CD2 4.24Å; F645-M669 HydrophobicContact CD1-SD 3.95Å; F645-F671 HydrophobicContact CE1-CD1 4.35Å; F645-F671 AromaticContact CE1-CE1 3.77Å; F645-F671 HydrophobicContact CE1-CE1 3.77Å; F645-F671 AromaticContact CZ-CE1 3.7Å; F645-F671 HydrophobicContact CZ-CE1 3.7Å; F645-F671 HydrophobicContact CZ-CZ 4Å
646	P	72.9	Confident	86.4	Confident	86 Å²	86	41.7 Å²	41.7	56%	0.558	22%	0.224	S	C	*	.	S	Bend	trans	-74.5	-20.2	-177.3	30.7	-35.9	0	0	0	113.1	L663 M669	P646-L663 HydrophobicContact CG-CD1 3.7Å; P646-M669 VanDerWaalsContact CD-CE 3.5Å; P646-M669 HydrophobicContact CG-CE 3.54Å
647	E	77.3	Confident	86.5	Confident	41 Å²	41	41.7 Å²	41.7	19%	0.192	22%	0.222	C	C	.	.	S	Bend	trans	-138.2	171.4	-175.6	-62.8	171.3	-161.3	0	0	110.3	P352 F645 L663 S665	P352-E647 WeakPolarHBondContact CG-OE1 3.46Å; F645-E647 VanDerWaalsContact C-N 3.28Å; F645-E647 PolarHBondContact O-N 3.41Å; E647-L663 HydrophobicContact CB-CB 4.13Å; E647-L663 HydrophobicContact CB-CD1 4.17Å; E647-L663 HydrophobicContact CB-CD2 4.45Å; E647-L663 HydrophobicContact CB-CG 4.49Å; E647-S665 PolarHBondContact OE1-OG 2.84Å; E647-S665 WeakPolarHBondContact OE2-CB 3.39Å; E647-S665 PolarHBondContact OE2-N 3.12Å; E647-S665 PolarHBondContact OE2-OG 2.97Å
648	R	79.5	Confident	86.7	Confident	101 Å²	101	38.9 Å²	38.9	38%	0.381	21%	0.207	S	C	.	.			trans	-64.8	135.3	174.5	179.6	173.4	179.6	162.8	10.6	110.3	D601 L663 E664	D601-R648 PolarHBondContact O-NH2 2.86Å; R648-L663 WeakPolarHBondContact O-CA 3.4Å; R648-E664 PolarHBondContact O-N 3.18Å
649	V	85.3	Confident	86.9	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.6	172.1	175.9	0	0	0	0	109.1	L599 L605 F645 D651 F652 V661 I662 L663	L599-V649 HydrophobicContact CD1-CB 4.43Å; L605-V649 HydrophobicContact CD2-CG1 4.23Å; L605-V649 HydrophobicContact CD2-CG2 4.18Å; F645-V649 HydrophobicContact CB-CG2 4.43Å; F645-V649 HydrophobicContact CD2-CG2 3.99Å; F645-V649 HydrophobicContact CE2-CG2 4.43Å; F645-V649 HydrophobicContact CG-CG2 4.08Å; V649-D651 WeakPolarHBondContact CG1-O 3.21Å; V649-F652 HydrophobicContact CG1-CB 4.44Å; V649-F652 HydrophobicContact CG1-CD1 4.27Å; V649-V661 HydrophobicContact CG1-CB 4Å; V649-V661 HydrophobicContact CG1-CG1 4.27Å; V649-V661 HydrophobicContact CG2-CB 4.24Å; V649-V661 HydrophobicContact CG2-CG2 4.35Å; V649-I662 WeakPolarHBondContact CA-O 3.35Å; V649-L663 HydrophobicContact CG2-CD2 3.99Å
650	V	84	Confident	86.9	Confident	70 Å²	70	32 Å²	32	42%	0.424	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-32.7	179.8	-63.9	0	0	0	0	112.9	I662 E664	V650-I662 HydrophobicContact CG2-CB 4.03Å; V650-I662 HydrophobicContact CG2-CG2 3.63Å; V650-I662 WeakPolarHBondContact CG2-O 3.22Å; V650-I662 PolarHBondContact N-O 2.93Å; V650-E664 HydrophobicContact CG1-CB 4.06Å; V650-E664 HydrophobicContact CG1-CG 4.49Å
651	D	88.8	Confident	87	Confident	20 Å²	20	30.2 Å²	30.2	11%	0.107	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.2	172.6	-171.6	23.2	0	0	0	109.3	K590 V649 V661 I662	K590-D651 WeakPolarHBondContact CE-OD1 3.3Å; K590-D651 IonicContact NZ-OD1 3.75Å; K590-D651 PolarHBondContact NZ-OD1 3.18Å; K590-D651 IonicContact NZ-OD2 3.41Å; V649-D651 WeakPolarHBondContact CG1-O 3.21Å; D651-V661 WeakPolarHBondContact O-CA 3.09Å; D651-I662 HydrophobicContact CB-CB 4.46Å; D651-I662 HydrophobicContact CB-CD1 4.45Å; D651-I662 PolarHBondContact O-N 3.21Å
652	F	95.2	Very high	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	165.4	179.8	57.3	-88.2	0	0	0	111.3	Y588 K590 M597 L599 L605 V649 V654 G660 V661	Y588-F652 AromaticContact CD1-CE1 3.72Å; Y588-F652 HydrophobicContact CD1-CE1 3.72Å; Y588-F652 HydrophobicContact CD1-CZ 4.15Å; Y588-F652 AromaticContact CE1-CE1 4Å; Y588-F652 HydrophobicContact CE1-CE1 4Å; Y588-F652 HydrophobicContact CE1-CZ 4.3Å; K590-F652 HydrophobicContact CB-CD2 4.35Å; K590-F652 HydrophobicContact CB-CE2 3.7Å; K590-F652 HydrophobicContact CB-CZ 4.43Å; K590-F652 HydrophobicContact CD-CE2 4.48Å; K590-F652 WeakPolarHBondContact CD-O 3.28Å; K590-F652 WeakPolarHBondContact CE-O 3.29Å; K590-F652 HydrophobicContact CG-CD2 4.47Å; K590-F652 HydrophobicContact CG-CE2 3.95Å; K590-F652 HydrophobicContact CG-CZ 4.39Å; K590-F652 PolarHBondContact NZ-O 2.89Å; M597-F652 HydrophobicContact CB-CD2 3.82Å; M597-F652 HydrophobicContact CB-CE2 3.4Å; M597-F652 VanDerWaalsContact CB-CE2 3.4Å; M597-F652 HydrophobicContact CB-CZ 4.11Å; M597-F652 HydrophobicContact CE-CB 4.42Å; M597-F652 HydrophobicContact CE-CD2 4.06Å; M597-F652 HydrophobicContact CE-CG 4.32Å; M597-F652 WeakPolarHBondContact O-CE2 3.42Å; M597-F652 VanDerWaalsContact O-CZ 3.27Å; M597-F652 WeakPolarHBondContact O-CZ 3.47Å; L599-F652 HydrophobicContact CB-CE1 3.99Å; L605-F652 HydrophobicContact CD1-CD1 3.71Å; L605-F652 HydrophobicContact CD1-CE1 3.74Å; L605-F652 HydrophobicContact CD1-CG 4.18Å; L605-F652 HydrophobicContact CD1-CZ 4.22Å; V649-F652 HydrophobicContact CG1-CB 4.44Å; V649-F652 HydrophobicContact CG1-CD1 4.27Å; F652-V654 HydrophobicContact CD2-CG2 3.99Å; F652-V654 HydrophobicContact CE2-CG2 4.1Å; F652-G660 CarbonylContact C-O 3.23Å; F652-G660 WeakPolarHBondContact CA-O 3.25Å; F652-G660 VanDerWaalsContact CB-O 3.32Å; F652-G660 WeakPolarHBondContact CB-O 3.22Å; F652-V661 HydrophobicContact CB-CB 4.32Å; F652-V661 HydrophobicContact CB-CG1 3.8Å
653	S	95.9	Very high	86.8	Confident	6 Å²	6	27.8 Å²	27.8	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.8	171.6	171.5	0	0	0	0	109.8	S659 G660 V706 C708	S653-S659 VanDerWaalsContact O-CA 3.22Å; S653-S659 WeakPolarHBondContact O-CA 3.47Å; S653-S659 WeakPolarHBondContact O-CB 3.4Å; S653-G660 PolarHBondContact N-O 3.21Å; S653-G660 PolarHBondContact O-N 3.35Å; S653-V706 WeakPolarHBondContact CB-O 3.15Å; S653-C708 WeakPolarHBondContact OG-CB 3.38Å; S653-C708 PolarHBondContact OG-N 3.23Å
654	V	94.8	Very high	86.7	Confident	16 Å²	16	23.2 Å²	23.2	10%	0.097	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	96.8	-179.6	-167.9	0	0	0	0	108.5	K590 A595 M597 F652	K590-V654 HydrophobicContact CB-CG2 4.15Å; A595-V654 HydrophobicContact CB-CG1 4.27Å; M597-V654 HydrophobicContact CB-CG2 3.71Å; M597-V654 HydrophobicContact CG-CG2 3.8Å; M597-V654 HydrophobicContact SD-CG1 4.43Å; M597-V654 HydrophobicContact SD-CG2 3.67Å; F652-V654 HydrophobicContact CD2-CG2 3.99Å; F652-V654 HydrophobicContact CE2-CG2 4.1Å
655	G	93.1	Very high	86.8	Confident	4 Å²	4	22.6 Å²	22.6	4%	0.041	12%	0.12	C	C	.	.			trans	-87.4	174.2	177.1	0	0	0	0	0	112.8	Y657 H658	G655-Y657 VanDerWaalsContact C-N 3.32Å; G655-Y657 PolarHBondContact O-N 2.89Å; G655-H658 CarbonylContact C-O 3.55Å; G655-H658 WeakPolarHBondContact CA-O 3.43Å; G655-H658 PolarHBondContact N-O 2.96Å
656	S	90.7	Very high	86.6	Confident	9 Å²	9	21.4 Å²	21.4	6%	0.063	12%	0.118	C	C	.	.	S	Bend	trans	-65.9	-34.8	178	-55.2	0	0	0	0	112.8	K615 D710	K615-S656 WeakPolarHBondContact CD-O 3.35Å; K615-S656 PolarHBondContact NZ-O 2.83Å; S656-D710 WeakPolarHBondContact CB-OD1 3.31Å; S656-D710 PolarHBondContact OG-OD1 3.44Å
657	Y	89.9	Confident	87.1	Confident	16 Å²	16	19.9 Å²	19.9	6%	0.063	10%	0.103	C	C	.	.	S	Bend	trans	-126.4	-21.3	-171.6	-55.4	-71.6	0	0	0	114.2	H613 G655 R673 V735	H613-Y657 AromaticContact CD2-CD1 3.98Å; H613-Y657 AromaticContact NE2-CD1 3.91Å; G655-Y657 VanDerWaalsContact C-N 3.32Å; G655-Y657 PolarHBondContact O-N 2.89Å; Y657-R673 WeakPolarHBondContact O-CB 3.44Å; Y657-R673 PolarHBondContact O-N 3.44Å; Y657-V735 WeakPolarHBondContact OH-CG1 3.19Å
658	H	92.6	Very high	87.7	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.9	177.9	70.5	-83.4	0	0	0	109.3	G655 F671 L679 C708 G709 F712 T713	G655-H658 CarbonylContact C-O 3.55Å; G655-H658 WeakPolarHBondContact CA-O 3.43Å; G655-H658 PolarHBondContact N-O 2.96Å; H658-F671 CarbonylContact C-O 3.51Å; H658-F671 WeakPolarHBondContact CA-O 3.37Å; H658-F671 WeakPolarHBondContact CB-O 3.11Å; H658-L679 HydrophobicContact CB-CD2 4.47Å; H658-C708 PolarHBondContact CD2-SG 3Å; H658-C708 WeakPolarHBondContact NE2-CB 3.08Å; H658-C708 PolarHBondContact NE2-SG 2.9Å; H658-G709 PolarHBondContact CE1-O 3.43Å; H658-F712 PolarHBondContact CE1-O 3.04Å; H658-F712 VanDerWaalsContact CE1-O 3.24Å; H658-F712 PolarHBondContact NE2-O 2.76Å; H658-T713 PolarHBondContact NE2-OG1 2.71Å
659	S	95.1	Very high	88.3	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.8	178.4	-57.7	0	0	0	0	109.5	K615 S653 I670 F671	K615-S659 WeakPolarHBondContact O-CB 3.41Å; K615-S659 PolarHBondContact O-OG 3.39Å; S653-S659 VanDerWaalsContact O-CA 3.22Å; S653-S659 WeakPolarHBondContact O-CA 3.47Å; S653-S659 WeakPolarHBondContact O-CB 3.4Å; S659-I670 WeakPolarHBondContact O-CA 3.49Å; S659-I670 WeakPolarHBondContact O-CG2 3.45Å; S659-F671 PolarHBondContact N-O 3.06Å; S659-F671 PolarHBondContact O-N 2.76Å
660	G	94.1	Very high	88.6	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.4	180	0	0	0	0	0	110.5	F652 S653 M669 C708	F652-G660 CarbonylContact C-O 3.23Å; F652-G660 WeakPolarHBondContact CA-O 3.25Å; F652-G660 VanDerWaalsContact CB-O 3.32Å; F652-G660 WeakPolarHBondContact CB-O 3.22Å; S653-G660 PolarHBondContact N-O 3.21Å; S653-G660 PolarHBondContact O-N 3.35Å; G660-M669 CarbonylContact C-O 3.46Å; G660-M669 VanDerWaalsContact CA-O 3.31Å; G660-M669 WeakPolarHBondContact CA-O 3.49Å; G660-C708 PolarHBondContact N-SG 2.87Å
661	V	93.9	Very high	88.9	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.8	171.9	-55.7	0	0	0	0	109.7	M597 L605 F645 V649 D651 F652 L663 V668 M669 F671	M597-V661 HydrophobicContact CE-CG1 4.48Å; L605-V661 HydrophobicContact CD2-CG1 3.83Å; F645-V661 HydrophobicContact CD1-CG2 3.84Å; F645-V661 HydrophobicContact CE1-CG1 4.28Å; F645-V661 HydrophobicContact CE1-CG2 3.48Å; F645-V661 VanDerWaalsContact CE1-CG2 3.48Å; F645-V661 HydrophobicContact CZ-CG1 4.09Å; F645-V661 HydrophobicContact CZ-CG2 4.12Å; V649-V661 HydrophobicContact CG1-CB 4Å; V649-V661 HydrophobicContact CG1-CG1 4.27Å; V649-V661 HydrophobicContact CG2-CB 4.24Å; V649-V661 HydrophobicContact CG2-CG2 4.35Å; D651-V661 WeakPolarHBondContact O-CA 3.09Å; F652-V661 HydrophobicContact CB-CB 4.32Å; F652-V661 HydrophobicContact CB-CG1 3.8Å; V661-L663 HydrophobicContact CG2-CD2 4.36Å; V661-V668 WeakPolarHBondContact O-CA 3.3Å; V661-M669 HydrophobicContact CG2-CB 3.66Å; V661-M669 PolarHBondContact N-O 2.83Å; V661-M669 PolarHBondContact O-N 3.38Å; V661-F671 HydrophobicContact CG1-CE1 3.79Å; V661-F671 HydrophobicContact CG1-CZ 3.96Å; V661-F671 HydrophobicContact CG2-CE1 4.25Å
662	I	89.9	Confident	88.9	Confident	3 Å²	3	9.8 Å²	9.8	2%	0.015	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130	168.4	-62.7	174.6	0	0	0	107.4	V649 V650 D651 Q667 V668 H705 V706	V649-I662 WeakPolarHBondContact CA-O 3.35Å; V650-I662 HydrophobicContact CG2-CB 4.03Å; V650-I662 HydrophobicContact CG2-CG2 3.63Å; V650-I662 WeakPolarHBondContact CG2-O 3.22Å; V650-I662 PolarHBondContact N-O 2.93Å; D651-I662 HydrophobicContact CB-CB 4.46Å; D651-I662 HydrophobicContact CB-CD1 4.45Å; D651-I662 PolarHBondContact O-N 3.21Å; I662-Q667 WeakPolarHBondContact CA-O 3.45Å; I662-V668 HydrophobicContact CG1-CG2 4.29Å; I662-H705 VanDerWaalsContact CD1-C 3.42Å; I662-V706 HydrophobicContact CD1-CB 4.02Å; I662-V706 HydrophobicContact CD1-CG1 3.98Å; I662-V706 HydrophobicContact CG1-CB 3.96Å; I662-V706 HydrophobicContact CG1-CG1 3.71Å
663	L	83.2	Confident	88.5	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	162.7	174	-58.2	-176	0	0	0	111.1	F645 P646 E647 R648 V649 V661 S665 G666 Q667 M669	F645-L663 HydrophobicContact CB-CD2 4.24Å; P646-L663 HydrophobicContact CG-CD1 3.7Å; E647-L663 HydrophobicContact CB-CB 4.13Å; E647-L663 HydrophobicContact CB-CD1 4.17Å; E647-L663 HydrophobicContact CB-CD2 4.45Å; E647-L663 HydrophobicContact CB-CG 4.49Å; R648-L663 WeakPolarHBondContact O-CA 3.4Å; V649-L663 HydrophobicContact CG2-CD2 3.99Å; V661-L663 HydrophobicContact CG2-CD2 4.36Å; L663-S665 PolarHBondContact O-N 2.82Å; L663-S665 VanDerWaalsContact O-N 3.15Å; L663-G666 WeakPolarHBondContact O-CA 3.27Å; L663-G666 PolarHBondContact O-N 3.34Å; L663-Q667 HydrophobicContact CB-CB 4.46Å; L663-Q667 HydrophobicContact CD1-CB 4.37Å; L663-Q667 PolarHBondContact N-O 3.03Å; L663-M669 HydrophobicContact CD1-CE 3.55Å; L663-M669 HydrophobicContact CD1-CG 4.35Å; L663-M669 HydrophobicContact CD1-SD 3.83Å; L663-M669 HydrophobicContact CG-SD 4.42Å
664	E	75.1	Confident	88	Confident	33 Å²	33	11.3 Å²	11.3	15%	0.154	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.2	177.3	-170.6	167.8	-141.6	0	0	113.8	K362 R648 V650 G666	K362-E664 HydrophobicContact CD-CG 4.07Å; K362-E664 WeakPolarHBondContact CE-OE1 3.38Å; K362-E664 IonicContact NZ-OE1 2.83Å; K362-E664 PolarHBondContact NZ-OE1 3.31Å; R648-E664 PolarHBondContact O-N 3.18Å; V650-E664 HydrophobicContact CG1-CB 4.06Å; V650-E664 HydrophobicContact CG1-CG 4.49Å; E664-G666 PolarHBondContact O-N 3.49Å
665	S	70.3	Confident	87.4	Confident	29 Å²	29	13 Å²	13	20%	0.203	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10	170.8	53.1	0	0	0	0	115.4	R366 E647 L663 Q667	R366-S665 PolarHBondContact NH1-O 2.72Å; E647-S665 PolarHBondContact OE1-OG 2.84Å; E647-S665 WeakPolarHBondContact OE2-CB 3.39Å; E647-S665 PolarHBondContact OE2-N 3.12Å; E647-S665 PolarHBondContact OE2-OG 2.97Å; L663-S665 PolarHBondContact O-N 2.82Å; L663-S665 VanDerWaalsContact O-N 3.15Å; S665-Q667 VanDerWaalsContact C-N 3.3Å; S665-Q667 WeakPolarHBondContact OG-CG 3.29Å; S665-Q667 PolarHBondContact OG-N 2.93Å
666	G	76.9	Confident	87	Confident	11 Å²	11	13.4 Å²	13.4	11%	0.113	7%	0.073	C	C	.	.	S	Bend	trans	82.6	4.7	-169.5	0	0	0	0	0	113.8	L663 E664 C703	L663-G666 WeakPolarHBondContact O-CA 3.27Å; L663-G666 PolarHBondContact O-N 3.34Å; E664-G666 PolarHBondContact O-N 3.49Å; G666-C703 WeakPolarHBondContact O-CB 3.27Å
667	Q	83.7	Confident	86.8	Confident	54 Å²	54	13.1 Å²	13.1	25%	0.252	7%	0.071	S	C	.	.			trans	-70.5	137.8	174.6	-70.1	-177.5	7.6	0	0	111.2	I662 L663 S665 P694 L699	I662-Q667 WeakPolarHBondContact CA-O 3.45Å; L663-Q667 HydrophobicContact CB-CB 4.46Å; L663-Q667 HydrophobicContact CD1-CB 4.37Å; L663-Q667 PolarHBondContact N-O 3.03Å; S665-Q667 VanDerWaalsContact C-N 3.3Å; S665-Q667 WeakPolarHBondContact OG-CG 3.29Å; S665-Q667 PolarHBondContact OG-N 2.93Å; Q667-P694 HydrophobicContact CB-CB 4.46Å; Q667-L699 HydrophobicContact CG-CD2 4.1Å
668	V	90.3	Very high	86.7	Confident	2 Å²	2	12.4 Å²	12.4	1%	0.012	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.5	176.2	-174.4	0	0	0	0	109.7	V661 I662 I670 P694 V695 L698 C703 V706 V715	V661-V668 WeakPolarHBondContact O-CA 3.3Å; I662-V668 HydrophobicContact CG1-CG2 4.29Å; V668-I670 HydrophobicContact CG1-CD1 3.51Å; V668-I670 HydrophobicContact CG1-CG1 4.19Å; V668-P694 WeakPolarHBondContact O-CA 3.44Å; V668-V695 HydrophobicContact CB-CG2 4.5Å; V668-V695 HydrophobicContact CG1-CG2 4.46Å; V668-V695 PolarHBondContact O-N 2.83Å; V668-L698 HydrophobicContact CG2-CD1 4.49Å; V668-C703 HydrophobicContact CG2-CB 3.51Å; V668-C703 VanDerWaalsContact CG2-SG 3.57Å; V668-V706 HydrophobicContact CG1-CB 4.33Å; V668-V706 HydrophobicContact CG1-CG2 3.86Å; V668-V715 HydrophobicContact CG1-CG2 4.09Å; V668-V715 HydrophobicContact CG2-CG1 4.13Å; V668-V715 HydrophobicContact CG2-CG2 4.12Å
669	M	90.6	Very high	86.5	Confident	5 Å²	5	12.6 Å²	12.6	3%	0.025	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.3	175.9	-76.4	-169	174.8	0	0	109.6	F645 P646 G660 V661 L663 V692 P694	F645-M669 HydrophobicContact CD1-SD 3.95Å; P646-M669 VanDerWaalsContact CD-CE 3.5Å; P646-M669 HydrophobicContact CG-CE 3.54Å; G660-M669 CarbonylContact C-O 3.46Å; G660-M669 VanDerWaalsContact CA-O 3.31Å; G660-M669 WeakPolarHBondContact CA-O 3.49Å; V661-M669 HydrophobicContact CG2-CB 3.66Å; V661-M669 PolarHBondContact N-O 2.83Å; V661-M669 PolarHBondContact O-N 3.38Å; L663-M669 HydrophobicContact CD1-CE 3.55Å; L663-M669 HydrophobicContact CD1-CG 4.35Å; L663-M669 HydrophobicContact CD1-SD 3.83Å; L663-M669 HydrophobicContact CG-SD 4.42Å; M669-V692 HydrophobicContact CB-CG1 3.62Å; M669-V692 HydrophobicContact CG-CG1 4.03Å; M669-V692 HydrophobicContact SD-CG1 3.9Å; M669-P694 HydrophobicContact CE-CB 4.44Å
670	I	92.2	Very high	85.9	Confident	5 Å²	5	12.8 Å²	12.8	3%	0.026	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.8	179.2	-44.1	-62.9	0	0	0	109.6	S659 V668 L679 V695 V706 T713 W725	S659-I670 WeakPolarHBondContact O-CA 3.49Å; S659-I670 WeakPolarHBondContact O-CG2 3.45Å; V668-I670 HydrophobicContact CG1-CD1 3.51Å; V668-I670 HydrophobicContact CG1-CG1 4.19Å; I670-L679 HydrophobicContact CB-CD2 3.98Å; I670-L679 HydrophobicContact CG2-CD2 3.45Å; I670-L679 VanDerWaalsContact CG2-CD2 3.45Å; I670-V695 HydrophobicContact CG1-CG2 3.89Å; I670-V706 HydrophobicContact CD1-CG2 3.68Å; I670-T713 HydrophobicContact CD1-CG2 3.93Å; I670-T713 HydrophobicContact CG1-CG2 4.47Å; I670-W725 HydrophobicContact CD1-CZ2 4.49Å; I670-W725 HydrophobicContact CG1-CZ2 4.14Å
671	F	90.1	Very high	85	Confident	2 Å²	2	16.2 Å²	16.2	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.1	178.6	47.7	-91.5	0	0	0	111.3	M597 K615 N617 F645 H658 S659 V661 V692	M597-F671 HydrophobicContact CE-CZ 4.45Å; K615-F671 WeakPolarHBondContact O-CD2 3.29Å; K615-F671 WeakPolarHBondContact O-CE2 3.3Å; N617-F671 HydrophobicContact CB-CD1 4.38Å; N617-F671 HydrophobicContact CB-CD2 3.6Å; N617-F671 HydrophobicContact CB-CE1 4.46Å; N617-F671 HydrophobicContact CB-CE2 3.66Å; N617-F671 HydrophobicContact CB-CG 3.96Å; N617-F671 HydrophobicContact CB-CZ 4.12Å; F645-F671 HydrophobicContact CE1-CD1 4.35Å; F645-F671 AromaticContact CE1-CE1 3.77Å; F645-F671 HydrophobicContact CE1-CE1 3.77Å; F645-F671 AromaticContact CZ-CE1 3.7Å; F645-F671 HydrophobicContact CZ-CE1 3.7Å; F645-F671 HydrophobicContact CZ-CZ 4Å; H658-F671 CarbonylContact C-O 3.51Å; H658-F671 WeakPolarHBondContact CA-O 3.37Å; H658-F671 WeakPolarHBondContact CB-O 3.11Å; S659-F671 PolarHBondContact N-O 3.06Å; S659-F671 PolarHBondContact O-N 2.76Å; V661-F671 HydrophobicContact CG1-CE1 3.79Å; V661-F671 HydrophobicContact CG1-CZ 3.96Å; V661-F671 HydrophobicContact CG2-CE1 4.25Å; F671-V692 HydrophobicContact CB-CG2 3.95Å; F671-V692 HydrophobicContact CD1-CG1 3.93Å; F671-V692 HydrophobicContact CD1-CG2 4.08Å; F671-V692 HydrophobicContact CG-CG2 4.26Å
672	G	89.2	Confident	83.9	Confident	9 Å²	9	17.8 Å²	17.8	9%	0.093	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.5	-143.9	-176.3	0	0	0	0	0	112	H613	H613-G672 CarbonylContact O-C 3.45Å; H613-G672 VanDerWaalsContact O-C 3.24Å; H613-G672 WeakPolarHBondContact O-CA 3.33Å
673	R	86.3	Confident	83	Confident	32 Å²	32	20.5 Å²	20.5	12%	0.121	12%	0.12	C	C	.	.			trans	-65	145.4	175	-170	176.7	-172.7	-171.1	0.4	111.7	H613 Y657 D675 C736	H613-R673 HydrophobicContact CB-CB 3.95Å; Y657-R673 WeakPolarHBondContact O-CB 3.44Å; Y657-R673 PolarHBondContact O-N 3.44Å; R673-D675 HydrophobicContact CG-CB 4.24Å; R673-D675 IonicContact CZ-OD2 3.94Å; R673-D675 IonicContact NE-OD2 2.52Å; R673-D675 PolarHBondContact NE-OD2 3Å; R673-D675 IonicContact NH2-OD2 3.51Å; R673-D675 PolarHBondContact NH2-OD2 3.43Å; R673-C736 PolarHBondContact NH2-SG 2.73Å
674	N	86.4	Confident	82.2	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	14%	0.141	C	C	.	.			trans	-135.3	17.3	176.9	-164.3	42.2	0	0	0	113.1	N676 T677 E678 L679 N683 S684 Q685	N674-N676 PolarHBondContact O-N 3.04Å; N674-T677 PolarHBondContact O-N 2.82Å; N674-T677 VanDerWaalsContact O-N 3.12Å; N674-T677 VanDerWaalsContact OD1-C 3.25Å; N674-T677 VanDerWaalsContact OD1-CA 3.28Å; N674-T677 WeakPolarHBondContact OD1-CA 2.94Å; N674-E678 WeakPolarHBondContact CA-OE2 3Å; N674-E678 PolarHBondContact OD1-N 3.13Å; N674-L679 HydrophobicContact CB-CD1 3.65Å; N674-L679 HydrophobicContact CB-CG 3.67Å; N674-L679 WeakPolarHBondContact OD1-CB 3.35Å; N674-L679 WeakPolarHBondContact OD1-CG 3.33Å; N674-L679 PolarHBondContact OD1-N 3.41Å; N674-L679 VanDerWaalsContact OD1-N 3.13Å; N674-N683 PolarHBondContact ND2-O 2.93Å; N674-S684 CarbonylContact O-C 3.59Å; N674-S684 VanDerWaalsContact O-CA 3.29Å; N674-S684 WeakPolarHBondContact O-CA 3.24Å; N674-Q685 PolarHBondContact ND2-N 2.81Å; N674-Q685 PolarHBondContact ND2-O 3.09Å
675	D	82.6	Confident	81.6	Confident	51 Å²	51	27.8 Å²	27.8	27%	0.273	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.1	-177.5	-70.4	-25.6	0	0	0	111.9	R673 E678 K686	R673-D675 HydrophobicContact CG-CB 4.24Å; R673-D675 IonicContact CZ-OD2 3.94Å; R673-D675 IonicContact NE-OD2 2.52Å; R673-D675 PolarHBondContact NE-OD2 3Å; R673-D675 IonicContact NH2-OD2 3.51Å; R673-D675 PolarHBondContact NH2-OD2 3.43Å; D675-E678 PolarHBondContact N-OE2 3.24Å; D675-K686 WeakPolarHBondContact OD1-CG 3.3Å
676	N	84.1	Confident	80.7	Confident	12 Å²	12	34.9 Å²	34.9	6%	0.064	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	15.9	178	-54.2	-67.2	0	0	0	112.3	N674 E678 G711 G726 R727	N674-N676 PolarHBondContact O-N 3.04Å; N676-E678 VanDerWaalsContact C-N 3.32Å; N676-E678 WeakPolarHBondContact CA-OE2 2.94Å; N676-E678 VanDerWaalsContact CB-CD 3.47Å; N676-E678 HydrophobicContact CB-CG 4.16Å; N676-E678 WeakPolarHBondContact CB-OE1 3.49Å; N676-E678 PolarHBondContact N-OE2 3.48Å; N676-E678 PolarHBondContact ND2-OE1 2.83Å; N676-G711 WeakPolarHBondContact CB-O 3.12Å; N676-G726 VanDerWaalsContact O-CA 3.23Å; N676-G726 WeakPolarHBondContact O-CA 3.36Å; N676-R727 HydrophobicContact CB-CB 3.8Å; N676-R727 VanDerWaalsContact OD1-CD 3.23Å; N676-R727 WeakPolarHBondContact OD1-CD 3.43Å
677	T	86.1	Confident	79.2	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.025	21%	0.21	C	C	.	.	S	Bend	trans	68.6	21.9	-176.2	71.8	0	0	0	0	115.2	N674 L679 G680 W725 V762 V763 T764	N674-T677 PolarHBondContact O-N 2.82Å; N674-T677 VanDerWaalsContact O-N 3.12Å; N674-T677 VanDerWaalsContact OD1-C 3.25Å; N674-T677 VanDerWaalsContact OD1-CA 3.28Å; N674-T677 WeakPolarHBondContact OD1-CA 2.94Å; T677-L679 PolarHBondContact O-N 3.41Å; T677-G680 PolarHBondContact O-N 2.7Å; T677-W725 VanDerWaalsContact O-CD1 3.24Å; T677-V762 HydrophobicContact CG2-CG1 3.99Å; T677-V763 PolarHBondContact OG1-O 3Å; T677-V763 VanDerWaalsContact OG1-O 3.1Å; T677-T764 HydrophobicContact CG2-CG2 4.12Å; T677-T764 WeakPolarHBondContact OG1-CA 3.33Å
678	E	88.9	Confident	77.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.4	-175.5	-56.1	97.1	144.5	0	0	114	N674 D675 N676 G680 G711 T713 W725	N674-E678 WeakPolarHBondContact CA-OE2 3Å; N674-E678 PolarHBondContact OD1-N 3.13Å; D675-E678 PolarHBondContact N-OE2 3.24Å; N676-E678 VanDerWaalsContact C-N 3.32Å; N676-E678 WeakPolarHBondContact CA-OE2 2.94Å; N676-E678 VanDerWaalsContact CB-CD 3.47Å; N676-E678 HydrophobicContact CB-CG 4.16Å; N676-E678 WeakPolarHBondContact CB-OE1 3.49Å; N676-E678 PolarHBondContact N-OE2 3.48Å; N676-E678 PolarHBondContact ND2-OE1 2.83Å; E678-G680 VanDerWaalsContact C-N 3.34Å; E678-G711 VanDerWaalsContact CG-C 3.45Å; E678-T713 PolarHBondContact O-OG1 3.38Å; E678-W725 PolarHBondContact O-NE1 2.61Å
679	L	87.8	Confident	75.6	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.8	-179.9	-51.5	-170.8	0	0	0	113.8	H658 I670 N674 T677 L681 V689	H658-L679 HydrophobicContact CB-CD2 4.47Å; I670-L679 HydrophobicContact CB-CD2 3.98Å; I670-L679 HydrophobicContact CG2-CD2 3.45Å; I670-L679 VanDerWaalsContact CG2-CD2 3.45Å; N674-L679 HydrophobicContact CB-CD1 3.65Å; N674-L679 HydrophobicContact CB-CG 3.67Å; N674-L679 WeakPolarHBondContact OD1-CB 3.35Å; N674-L679 WeakPolarHBondContact OD1-CG 3.33Å; N674-L679 PolarHBondContact OD1-N 3.41Å; N674-L679 VanDerWaalsContact OD1-N 3.13Å; T677-L679 PolarHBondContact O-N 3.41Å; L679-L681 VanDerWaalsContact C-N 3.28Å; L679-L681 HydrophobicContact CB-CD1 4.05Å; L679-L681 HydrophobicContact CB-CG 3.92Å; L679-L681 HydrophobicContact CD1-CD1 4.25Å; L679-L681 PolarHBondContact O-N 2.78Å; L679-V689 HydrophobicContact CD1-CB 4.45Å; L679-V689 HydrophobicContact CD1-CG2 3.31Å
680	G	82.3	Confident	73.8	Confident	4 Å²	4	48.1 Å²	48.1	4%	0.041	26%	0.255	C	S	.	.			trans	68.8	26.5	176.8	0	0	0	0	0	113.6	T677 E678 G682 W725	T677-G680 PolarHBondContact O-N 2.7Å; E678-G680 VanDerWaalsContact C-N 3.34Å; G680-G682 VanDerWaalsContact C-N 3.33Å; G680-W725 VanDerWaalsContact N-NE1 3.13Å
681	L	76.1	Confident	72.2	Confident	72 Å²	72	51.8 Å²	51.8	38%	0.377	28%	0.28	S	S	.	.	S	Bend	trans	-86.4	-1	-177.9	-61.9	177.6	0	0	0	113.5	L679 N683 V689	L679-L681 VanDerWaalsContact C-N 3.28Å; L679-L681 HydrophobicContact CB-CD1 4.05Å; L679-L681 HydrophobicContact CB-CG 3.92Å; L679-L681 HydrophobicContact CD1-CD1 4.25Å; L679-L681 PolarHBondContact O-N 2.78Å; L681-N683 PolarHBondContact O-N 3.37Å; L681-V689 HydrophobicContact CD1-CG2 4.21Å
682	G	70.1	Confident	71.3	Confident	34 Å²	34	52.1 Å²	52.1	35%	0.351	28%	0.282	S	S	.	.	S	Bend	trans	76.4	6.1	-174.8	0	0	0	0	0	114.2	G680 T764	G680-G682 VanDerWaalsContact C-N 3.33Å; G682-T764 WeakPolarHBondContact CA-O 3.35Å; G682-T764 PolarHBondContact N-O 3.38Å; G682-T764 VanDerWaalsContact N-O 3.16Å
683	N	70.7	Confident	70.5	Confident	59 Å²	59	58 Å²	58	32%	0.316	31%	0.305	S	S	.	.	S	Bend	trans	-150.5	160.6	177.5	61.5	61.5	0	0	0	111.5	N674 L681 Q685	N674-N683 PolarHBondContact ND2-O 2.93Å; L681-N683 PolarHBondContact O-N 3.37Å; N683-Q685 WeakPolarHBondContact OD1-CB 3.46Å; N683-Q685 VanDerWaalsContact OD1-CG 3.25Å; N683-Q685 WeakPolarHBondContact OD1-CG 3.46Å; N683-Q685 PolarHBondContact OD1-N 3.21Å
684	S	66	Low	70.4	Confident	65 Å²	65	58.1 Å²	58.1	46%	0.455	31%	0.31	S	S	.	.			trans	-96.5	32.8	178.7	55.4	0	0	0	0	113.1	N674 K686	N674-S684 CarbonylContact O-C 3.59Å; N674-S684 VanDerWaalsContact O-CA 3.29Å; N674-S684 WeakPolarHBondContact O-CA 3.24Å; S684-K686 PolarHBondContact O-N 2.78Å
685	Q	63.3	Low	70.3	Confident	122 Å²	122	58 Å²	58	57%	0.57	31%	0.309	S	S	*	.			trans	-57.1	117.9	-177.6	-78.1	-177.4	10.8	0	0	111.1	N674 N683 M687	N674-Q685 PolarHBondContact ND2-N 2.81Å; N674-Q685 PolarHBondContact ND2-O 3.09Å; N683-Q685 WeakPolarHBondContact OD1-CB 3.46Å; N683-Q685 VanDerWaalsContact OD1-CG 3.25Å; N683-Q685 WeakPolarHBondContact OD1-CG 3.46Å; N683-Q685 PolarHBondContact OD1-N 3.21Å; Q685-M687 PolarHBondContact O-N 3.31Å
686	K	51.9	Low	70.1	Confident	178 Å²	178	63.5 Å²	63.5	77%	0.774	33%	0.331	S	S	*	.			trans	-70.6	-2.4	179.1	-59.7	-165.1	171.2	-174.9	0	114.4	D675 S684 A688	D675-K686 WeakPolarHBondContact OD1-CG 3.3Å; S684-K686 PolarHBondContact O-N 2.78Å; K686-A688 PolarHBondContact O-N 2.78Å
687	M	44.7	Very low	69.7	Low	115 Å²	115	65.5 Å²	65.5	57%	0.567	35%	0.346	S	S	*	.	S	Bend	trans	-75.6	124.9	-178.5	-61.7	-156.2	76.4	0	0	109.1	Q685 V689 R690	Q685-M687 PolarHBondContact O-N 3.31Å; M687-V689 PolarHBondContact O-N 3.48Å; M687-R690 VanDerWaalsContact CE-NH2 3.3Å
688	A	46.5	Very low	69.4	Low	59 Å²	59	65.4 Å²	65.4	49%	0.488	35%	0.345	S	S	.	.			trans	-44.6	119.4	168.9	0	0	0	0	0	108.8	K686 R690	K686-A688 PolarHBondContact O-N 2.78Å; A688-R690 PolarHBondContact O-N 3.26Å
689	V	51.5	Low	68.7	Low	33 Å²	33	68.5 Å²	68.5	20%	0.2	36%	0.361	C	S	.	.			trans	-58.1	106.3	-179.1	168.9	0	0	0	0	107.8	L679 L681 M687 C691	L679-V689 HydrophobicContact CD1-CB 4.45Å; L679-V689 HydrophobicContact CD1-CG2 3.31Å; L681-V689 HydrophobicContact CD1-CG2 4.21Å; M687-V689 PolarHBondContact O-N 3.48Å; V689-C691 WeakPolarHBondContact CG1-O 3.48Å; V689-C691 PolarHBondContact O-N 3.48Å; V689-C691 VanDerWaalsContact O-N 3.15Å
690	R	53.7	Low	67.9	Low	144 Å²	144	76 Å²	76	54%	0.543	40%	0.396	S	S	.	.	S	Bend	trans	-64.8	-17.9	-171.6	-65.6	177.2	173.2	169.4	-0.7	113.2	M687 A688	M687-R690 VanDerWaalsContact CE-NH2 3.3Å; A688-R690 PolarHBondContact O-N 3.26Å
691	C	57.3	Low	67.5	Low	81 Å²	81	77.6 Å²	77.6	55%	0.547	40%	0.402	S	S	.	.	S	Bend	trans	-156.3	125.1	175.4	177.8	0	0	0	0	107.5	V689 K693	V689-C691 WeakPolarHBondContact CG1-O 3.48Å; V689-C691 PolarHBondContact O-N 3.48Å; V689-C691 VanDerWaalsContact O-N 3.15Å; C691-K693 PolarHBondContact O-N 3.26Å
692	V	71.9	Confident	67.5	Low	10 Å²	10	74.8 Å²	74.8	6%	0.061	39%	0.389	C	S	.	.			trans	-62.4	127.6	179.3	-174.7	0	0	0	0	109.1	N617 M669 F671	N617-V692 VanDerWaalsContact CG-CG2 3.5Å; N617-V692 WeakPolarHBondContact ND2-CG2 3.38Å; N617-V692 VanDerWaalsContact OD1-CG2 3.3Å; N617-V692 WeakPolarHBondContact OD1-CG2 3.3Å; M669-V692 HydrophobicContact CB-CG1 3.62Å; M669-V692 HydrophobicContact CG-CG1 4.03Å; M669-V692 HydrophobicContact SD-CG1 3.9Å; F671-V692 HydrophobicContact CB-CG2 3.95Å; F671-V692 HydrophobicContact CD1-CG1 3.93Å; F671-V692 HydrophobicContact CD1-CG2 4.08Å; F671-V692 HydrophobicContact CG-CG2 4.26Å
693	K	73	Confident	68.2	Low	131 Å²	131	73.6 Å²	73.6	57%	0.57	38%	0.376	S	S	*	.			trans	-117.3	149.5	-178.8	-70	-177.9	-176.9	-179.7	0	110.1	C691	C691-K693 PolarHBondContact O-N 3.26Å
694	P	83.3	Confident	68.8	Low	36 Å²	36	73.3 Å²	73.3	23%	0.234	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-66.5	145.8	172.4	29.2	-33.5	0	0	0	110.3	Q667 V668 M669 K696 L699	Q667-P694 HydrophobicContact CB-CB 4.46Å; V668-P694 WeakPolarHBondContact O-CA 3.44Å; M669-P694 HydrophobicContact CE-CB 4.44Å; P694-K696 PolarHBondContact O-N 2.84Å; P694-L699 HydrophobicContact CB-CD2 3.82Å; P694-L699 HydrophobicContact CG-CD2 4.05Å
695	V	84.7	Confident	70	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.018	37%	0.369	C	S	.	.			trans	-68.8	104.1	175.3	-179	0	0	0	0	108.6	V668 I670 S697 L698 W725 P766	V668-V695 HydrophobicContact CB-CG2 4.5Å; V668-V695 HydrophobicContact CG1-CG2 4.46Å; V668-V695 PolarHBondContact O-N 2.83Å; I670-V695 HydrophobicContact CG1-CG2 3.89Å; V695-S697 VanDerWaalsContact C-N 3.32Å; V695-S697 PolarHBondContact O-N 3.02Å; V695-L698 HydrophobicContact CB-CD1 4.31Å; V695-L698 HydrophobicContact CG1-CB 4.45Å; V695-L698 HydrophobicContact CG1-CD1 3.98Å; V695-L698 HydrophobicContact CG1-CG 4.09Å; V695-L698 PolarHBondContact O-N 3.03Å; V695-W725 HydrophobicContact CG2-CZ2 4.45Å; V695-P766 HydrophobicContact CG1-CG 3.53Å
696	K	78.4	Confident	71.5	Confident	168 Å²	168	67.5 Å²	67.5	73%	0.73	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-55.8	-40.7	-167.3	-72.2	-174.7	175.8	-175.3	0	114.3	P694 L698 L699	P694-K696 PolarHBondContact O-N 2.84Å; K696-L698 PolarHBondContact O-N 2.92Å; K696-L699 HydrophobicContact CB-CD1 4.47Å; K696-L699 WeakPolarHBondContact O-CB 3.45Å; K696-L699 WeakPolarHBondContact O-CG 3.5Å; K696-L699 PolarHBondContact O-N 3.06Å
697	S	75.3	Confident	73.6	Confident	53 Å²	53	59.8 Å²	59.8	37%	0.371	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.1	-15.3	-178.6	53.6	0	0	0	0	113.7	V695 P766	V695-S697 VanDerWaalsContact C-N 3.32Å; V695-S697 PolarHBondContact O-N 3.02Å; S697-P766 VanDerWaalsContact OG-CD 3.29Å; S697-P766 WeakPolarHBondContact OG-CD 3.44Å; S697-P766 WeakPolarHBondContact OG-CG 3.4Å
698	L	80.1	Confident	76	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-102.1	1.2	179.8	-62.5	177.2	0	0	0	113.2	V668 V695 K696 H700 H701 V715 Y723 W725 P766	V668-L698 HydrophobicContact CG2-CD1 4.49Å; V695-L698 HydrophobicContact CB-CD1 4.31Å; V695-L698 HydrophobicContact CG1-CB 4.45Å; V695-L698 HydrophobicContact CG1-CD1 3.98Å; V695-L698 HydrophobicContact CG1-CG 4.09Å; V695-L698 PolarHBondContact O-N 3.03Å; K696-L698 PolarHBondContact O-N 2.92Å; L698-H700 PolarHBondContact O-N 3.08Å; L698-H700 VanDerWaalsContact O-N 3.11Å; L698-H701 PolarHBondContact O-N 3.14Å; L698-V715 HydrophobicContact CD1-CB 4.2Å; L698-V715 HydrophobicContact CD1-CG1 4.11Å; L698-V715 HydrophobicContact CD1-CG2 4.21Å; L698-Y723 HydrophobicContact CD2-CD1 4.03Å; L698-Y723 HydrophobicContact CD2-CD2 4.31Å; L698-Y723 HydrophobicContact CD2-CE1 4.28Å; L698-Y723 HydrophobicContact CD2-CG 4.03Å; L698-W725 HydrophobicContact CD1-CH2 3.86Å; L698-W725 HydrophobicContact CD1-CZ3 4.02Å; L698-P766 HydrophobicContact CD1-CB 4.23Å; L698-P766 HydrophobicContact CD1-CG 4.17Å; L698-P766 HydrophobicContact CD2-CB 4.06Å; L698-P766 HydrophobicContact CG-CB 4.08Å; L698-P766 HydrophobicContact CG-CG 4.17Å
699	L	74.6	Confident	78.3	Confident	64 Å²	64	51.8 Å²	51.8	34%	0.335	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.6	-176.3	-74.3	173	0	0	0	113.9	Q667 P694 K696	Q667-L699 HydrophobicContact CG-CD2 4.1Å; P694-L699 HydrophobicContact CB-CD2 3.82Å; P694-L699 HydrophobicContact CG-CD2 4.05Å; K696-L699 HydrophobicContact CB-CD1 4.47Å; K696-L699 WeakPolarHBondContact O-CB 3.45Å; K696-L699 WeakPolarHBondContact O-CG 3.5Å; K696-L699 PolarHBondContact O-N 3.06Å
700	H	70.8	Confident	80.2	Confident	161 Å²	161	51 Å²	51	75%	0.745	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.4	-179.9	-57.9	-58.7	0	0	0	113.6	R366 L698	R366-H700 PolarHBondContact NH2-O 2.94Å; L698-H700 PolarHBondContact O-N 3.08Å; L698-H700 VanDerWaalsContact O-N 3.11Å
701	H	73.2	Confident	81.9	Confident	39 Å²	39	44.1 Å²	44.1	18%	0.181	23%	0.229	C	C	.	.	S	Bend	trans	-98.3	143.2	179.8	-65.4	-82.9	0	0	0	110.3	R366 L698 C703 T717 E721 Y723	R366-H701 VanDerWaalsContact NH2-C 3.32Å; L698-H701 PolarHBondContact O-N 3.14Å; H701-C703 PolarHBondContact O-N 3.44Å; H701-T717 HydrophobicContact CB-CG2 3.84Å; H701-E721 IonicContact CE1-OE2 2.64Å; H701-E721 IonicContact ND1-OE2 2.98Å; H701-Y723 AromaticContact CE1-CZ 3.99Å; H701-Y723 PolarHBondContact CE1-OH 2.97Å; H701-Y723 PolarHBondContact NE2-OH 3.46Å
702	A	75.9	Confident	83.6	Confident	13 Å²	13	40.3 Å²	40.3	11%	0.107	20%	0.203	C	C	.	.			trans	-88.9	98.2	171.2	0	0	0	0	0	108.2	T717 T718	A702-T717 CarbonylContact O-C 3.56Å; A702-T717 VanDerWaalsContact O-CA 3.23Å; A702-T717 WeakPolarHBondContact O-CA 3.38Å; A702-T718 HydrophobicContact CB-CG2 3.82Å; A702-T718 PolarHBondContact O-N 3.11Å
703	C	85.7	Confident	84.7	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	135.7	-175.4	-57.6	0	0	0	0	110.8	G666 V668 H701 V715 S716	G666-C703 WeakPolarHBondContact O-CB 3.27Å; V668-C703 HydrophobicContact CG2-CB 3.51Å; V668-C703 VanDerWaalsContact CG2-SG 3.57Å; H701-C703 PolarHBondContact O-N 3.44Å; C703-V715 HydrophobicContact CB-CG1 3.72Å; C703-V715 VanDerWaalsContact SG-CG1 3.55Å; C703-S716 CarbonylContact C-O 3.55Å; C703-S716 VanDerWaalsContact CA-O 3.32Å; C703-S716 WeakPolarHBondContact CA-O 3.31Å
704	T	83.9	Confident	85.8	Confident	53 Å²	53	33.6 Å²	33.6	33%	0.325	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-32.3	-175.7	51.1	0	0	0	0	113.3	S716 T718	T704-S716 PolarHBondContact N-O 2.93Å; T704-S716 PolarHBondContact OG1-O 3.28Å; T704-S716 PolarHBondContact OG1-OG 3.29Å; T704-T718 HydrophobicContact CG2-CG2 3.53Å
705	H	90	Very high	86.4	Confident	65 Å²	65	31.9 Å²	31.9	30%	0.301	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.4	177.2	-55.8	86.8	0	0	0	110.2	I662 V715 S716 L786	I662-H705 VanDerWaalsContact CD1-C 3.42Å; H705-V715 VanDerWaalsContact O-CA 3.29Å; H705-V715 WeakPolarHBondContact O-CA 3.35Å; H705-S716 WeakPolarHBondContact CB-OG 3.19Å; H705-S716 PolarHBondContact N-OG 2.83Å; H705-S716 PolarHBondContact ND1-OG 3.45Å; H705-S716 PolarHBondContact O-N 3.28Å; H705-S716 VanDerWaalsContact O-N 3.09Å; H705-L786 HydrophobicContact CB-CD1 4.27Å
706	V	95.1	Very high	86.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.8	169.5	62.4	0	0	0	0	107.7	S653 I662 V668 I670 T713 V715	S653-V706 WeakPolarHBondContact CB-O 3.15Å; I662-V706 HydrophobicContact CD1-CB 4.02Å; I662-V706 HydrophobicContact CD1-CG1 3.98Å; I662-V706 HydrophobicContact CG1-CB 3.96Å; I662-V706 HydrophobicContact CG1-CG1 3.71Å; V668-V706 HydrophobicContact CG1-CB 4.33Å; V668-V706 HydrophobicContact CG1-CG2 3.86Å; I670-V706 HydrophobicContact CD1-CG2 3.68Å; V706-T713 HydrophobicContact CG2-CG2 4.28Å; V706-V715 HydrophobicContact CB-CG2 4.25Å; V706-V715 HydrophobicContact CG2-CG2 4.02Å
707	L	95.9	Very high	86.8	Confident	16 Å²	16	23.9 Å²	23.9	8%	0.084	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.5	179.5	-67.3	-174.4	0	0	0	110.1	T713 L714 L786 V788	L707-T713 WeakPolarHBondContact O-CA 3.19Å; L707-L714 HydrophobicContact CB-CB 4.2Å; L707-L714 PolarHBondContact N-O 3.03Å; L707-L714 PolarHBondContact O-N 3.13Å; L707-L786 HydrophobicContact CD1-CB 3.41Å; L707-L786 VanDerWaalsContact CD1-CB 3.41Å; L707-L786 HydrophobicContact CD1-CD1 4.38Å; L707-L786 HydrophobicContact CD1-CG 4.48Å; L707-L786 HydrophobicContact CG-CB 4.43Å; L707-V788 HydrophobicContact CB-CB 4.31Å; L707-V788 HydrophobicContact CB-CG1 3.72Å; L707-V788 HydrophobicContact CD1-CB 4.22Å; L707-V788 HydrophobicContact CD1-CG1 4.22Å; L707-V788 HydrophobicContact CD2-CG1 4.11Å; L707-V788 HydrophobicContact CG-CG1 4.24Å
708	C	95.9	Very high	87	Confident	6 Å²	6	23.7 Å²	23.7	4%	0.041	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	105	-176.7	-63.2	0	0	0	0	109.7	S653 H658 G660	S653-C708 WeakPolarHBondContact OG-CB 3.38Å; S653-C708 PolarHBondContact OG-N 3.23Å; H658-C708 PolarHBondContact CD2-SG 3Å; H658-C708 WeakPolarHBondContact NE2-CB 3.08Å; H658-C708 PolarHBondContact NE2-SG 2.9Å; G660-C708 PolarHBondContact N-SG 2.87Å
709	G	93.6	Very high	86.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	179.4	176.3	0	0	0	0	0	113.2	H658 G711 F712 G790	H658-G709 PolarHBondContact CE1-O 3.43Å; G709-G711 PolarHBondContact O-N 3.24Å; G709-F712 PolarHBondContact N-O 2.81Å; G709-G790 CarbonylContact C-O 3.52Å; G709-G790 VanDerWaalsContact CA-O 3.3Å; G709-G790 WeakPolarHBondContact CA-O 3.35Å
710	D	91.3	Very high	87.1	Confident	15 Å²	15	27.7 Å²	27.7	8%	0.08	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	92.3	175.1	-75	-8.6	0	0	0	109.3	K438 S656 L730 G790 R791	K438-D710 IonicContact NZ-OD2 2.81Å; K438-D710 PolarHBondContact NZ-OD2 3.25Å; S656-D710 WeakPolarHBondContact CB-OD1 3.31Å; S656-D710 PolarHBondContact OG-OD1 3.44Å; D710-L730 WeakPolarHBondContact O-CD1 3.15Å; D710-G790 VanDerWaalsContact CG-CA 3.41Å; D710-G790 PolarHBondContact N-O 2.81Å; D710-G790 VanDerWaalsContact OD2-CA 3.23Å; D710-G790 WeakPolarHBondContact OD2-CA 3.34Å; D710-R791 HydrophobicContact CB-CG 3.97Å; D710-R791 PolarHBondContact O-NH1 3.47Å
711	G	89.1	Confident	87.7	Confident	1 Å²	1	20 Å²	20	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	10.3	176.5	0	0	0	0	0	115.7	N676 E678 G709 R727	N676-G711 WeakPolarHBondContact CB-O 3.12Å; E678-G711 VanDerWaalsContact CG-C 3.45Å; G709-G711 PolarHBondContact O-N 3.24Å; G711-R727 PolarHBondContact O-N 2.88Å
712	F	93.3	Very high	88.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	163.8	178.4	68.6	-87.6	0	0	0	112.5	V414 H658 G709 L714 F724 W725 V788 R791 V793	V414-F712 HydrophobicContact CG1-CD1 4.17Å; V414-F712 HydrophobicContact CG1-CE1 4.21Å; V414-F712 HydrophobicContact CG2-CE1 4.11Å; V414-F712 HydrophobicContact CG2-CE2 4.41Å; V414-F712 HydrophobicContact CG2-CZ 3.88Å; H658-F712 PolarHBondContact CE1-O 3.04Å; H658-F712 VanDerWaalsContact CE1-O 3.24Å; H658-F712 PolarHBondContact NE2-O 2.76Å; G709-F712 PolarHBondContact N-O 2.81Å; F712-L714 HydrophobicContact CD2-CD1 4.46Å; F712-L714 HydrophobicContact CD2-CG 4.15Å; F712-L714 HydrophobicContact CE2-CD1 3.84Å; F712-L714 HydrophobicContact CE2-CG 4.03Å; F712-F724 HydrophobicContact CB-CD2 4.39Å; F712-F724 HydrophobicContact CB-CE2 3.51Å; F712-F724 HydrophobicContact CB-CZ 3.66Å; F712-F724 HydrophobicContact CD1-CE2 4.41Å; F712-F724 AromaticContact CD2-CD2 3.93Å; F712-F724 HydrophobicContact CD2-CD2 3.93Å; F712-F724 AromaticContact CD2-CE2 3.44Å; F712-F724 HydrophobicContact CD2-CE2 3.44Å; F712-F724 VanDerWaalsContact CD2-CE2 3.44Å; F712-F724 HydrophobicContact CD2-CZ 4.42Å; F712-F724 HydrophobicContact CE2-CE2 4.26Å; F712-F724 HydrophobicContact CG-CD2 4.41Å; F712-F724 AromaticContact CG-CE2 3.52Å; F712-F724 HydrophobicContact CG-CE2 3.52Å; F712-F724 HydrophobicContact CG-CZ 4.09Å; F712-W725 CarbonylContact C-O 3.56Å; F712-W725 VanDerWaalsContact CA-O 3.27Å; F712-W725 WeakPolarHBondContact CA-O 3.48Å; F712-W725 VanDerWaalsContact CB-O 3.29Å; F712-W725 WeakPolarHBondContact CB-O 3.16Å; F712-V788 HydrophobicContact CE2-CG2 4.43Å; F712-V788 HydrophobicContact CZ-CG2 4.06Å; F712-R791 HydrophobicContact CE1-CB 4.45Å; F712-R791 HydrophobicContact CE1-CG 4.39Å; F712-V793 HydrophobicContact CE2-CG2 3.9Å; F712-V793 HydrophobicContact CZ-CG2 3.66Å
713	T	95.9	Very high	89	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.8	176.6	-54	0	0	0	0	110.1	H658 I670 E678 V706 L707 F724 W725	H658-T713 PolarHBondContact NE2-OG1 2.71Å; I670-T713 HydrophobicContact CD1-CG2 3.93Å; I670-T713 HydrophobicContact CG1-CG2 4.47Å; E678-T713 PolarHBondContact O-OG1 3.38Å; V706-T713 HydrophobicContact CG2-CG2 4.28Å; L707-T713 WeakPolarHBondContact O-CA 3.19Å; T713-F724 WeakPolarHBondContact O-CA 3.41Å; T713-W725 VanDerWaalsContact CB-CE2 3.42Å; T713-W725 VanDerWaalsContact CB-CZ2 3.47Å; T713-W725 HydrophobicContact CG2-CH2 3.5Å; T713-W725 VanDerWaalsContact CG2-CH2 3.5Å; T713-W725 HydrophobicContact CG2-CZ2 3.26Å; T713-W725 HydrophobicContact CG2-CZ3 4.2Å; T713-W725 PolarHBondContact N-O 2.91Å; T713-W725 PolarHBondContact O-N 2.94Å; T713-W725 VanDerWaalsContact O-N 3.11Å
714	L	95.9	Very high	89.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.3	173.5	-74.8	168.2	0	0	0	110.2	L412 L707 F712 L722 Y723 F724 I769 V793	L412-L714 HydrophobicContact CD2-CD1 4.36Å; L412-L714 HydrophobicContact CD2-CD2 4.47Å; L707-L714 HydrophobicContact CB-CB 4.2Å; L707-L714 PolarHBondContact N-O 3.03Å; L707-L714 PolarHBondContact O-N 3.13Å; F712-L714 HydrophobicContact CD2-CD1 4.46Å; F712-L714 HydrophobicContact CD2-CG 4.15Å; F712-L714 HydrophobicContact CE2-CD1 3.84Å; F712-L714 HydrophobicContact CE2-CG 4.03Å; L714-L722 HydrophobicContact CB-CD1 4.45Å; L714-L722 HydrophobicContact CD2-CD1 4.24Å; L714-L722 HydrophobicContact CD2-CD2 4.3Å; L714-L722 HydrophobicContact CD2-CG 4.11Å; L714-Y723 VanDerWaalsContact CA-O 3.28Å; L714-Y723 WeakPolarHBondContact CA-O 3.13Å; L714-Y723 WeakPolarHBondContact CD2-O 3.22Å; L714-F724 HydrophobicContact CD2-CB 3.81Å; L714-F724 HydrophobicContact CD2-CD2 3.71Å; L714-F724 HydrophobicContact CD2-CG 4.26Å; L714-F724 HydrophobicContact CG-CD2 4.25Å; L714-I769 HydrophobicContact CD2-CD1 3.91Å; L714-V793 HydrophobicContact CD1-CB 4.46Å; L714-V793 HydrophobicContact CD1-CG1 3.64Å; L714-V793 HydrophobicContact CD1-CG2 3.96Å
715	V	95.1	Very high	89.7	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.8	173.3	167.6	0	0	0	0	110.4	V668 L698 C703 H705 V706 Y723 W725	V668-V715 HydrophobicContact CG1-CG2 4.09Å; V668-V715 HydrophobicContact CG2-CG1 4.13Å; V668-V715 HydrophobicContact CG2-CG2 4.12Å; L698-V715 HydrophobicContact CD1-CB 4.2Å; L698-V715 HydrophobicContact CD1-CG1 4.11Å; L698-V715 HydrophobicContact CD1-CG2 4.21Å; C703-V715 HydrophobicContact CB-CG1 3.72Å; C703-V715 VanDerWaalsContact SG-CG1 3.55Å; H705-V715 VanDerWaalsContact O-CA 3.29Å; H705-V715 WeakPolarHBondContact O-CA 3.35Å; V706-V715 HydrophobicContact CB-CG2 4.25Å; V706-V715 HydrophobicContact CG2-CG2 4.02Å; V715-Y723 PolarHBondContact N-O 2.86Å; V715-Y723 PolarHBondContact O-N 3.4Å; V715-W725 HydrophobicContact CB-CH2 4.19Å; V715-W725 HydrophobicContact CB-CZ3 4.05Å; V715-W725 HydrophobicContact CG2-CH2 3.49Å; V715-W725 VanDerWaalsContact CG2-CH2 3.49Å; V715-W725 HydrophobicContact CG2-CZ3 3.85Å
716	S	88.2	Confident	89.6	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	154.7	169.2	65.8	0	0	0	0	112.8	C703 T704 H705 E721 L783	C703-S716 CarbonylContact C-O 3.55Å; C703-S716 VanDerWaalsContact CA-O 3.32Å; C703-S716 WeakPolarHBondContact CA-O 3.31Å; T704-S716 PolarHBondContact N-O 2.93Å; T704-S716 PolarHBondContact OG1-O 3.28Å; T704-S716 PolarHBondContact OG1-OG 3.29Å; H705-S716 WeakPolarHBondContact CB-OG 3.19Å; H705-S716 PolarHBondContact N-OG 2.83Å; H705-S716 PolarHBondContact ND1-OG 3.45Å; H705-S716 PolarHBondContact O-N 3.28Å; H705-S716 VanDerWaalsContact O-N 3.09Å; S716-E721 CarbonylContact C-O 3.53Å; S716-E721 WeakPolarHBondContact CA-O 3.33Å; S716-L783 VanDerWaalsContact CB-CD2 3.42Å
717	T	84.5	Confident	89.3	Confident	3 Å²	3	16 Å²	16	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	168	177.8	75.4	0	0	0	0	112.1	H701 A702 E719 Q720 E721 Y723	H701-T717 HydrophobicContact CB-CG2 3.84Å; A702-T717 CarbonylContact O-C 3.56Å; A702-T717 VanDerWaalsContact O-CA 3.23Å; A702-T717 WeakPolarHBondContact O-CA 3.38Å; T717-E719 PolarHBondContact O-N 2.84Å; T717-E719 PolarHBondContact OG1-N 3.35Å; T717-Q720 PolarHBondContact O-N 3.08Å; T717-E721 HydrophobicContact CG2-CB 4.34Å; T717-E721 PolarHBondContact N-O 3.22Å; T717-E721 WeakPolarHBondContact OG1-CB 3.34Å; T717-E721 PolarHBondContact OG1-OE2 3.47Å; T717-Y723 HydrophobicContact CG2-CD2 3.98Å; T717-Y723 HydrophobicContact CG2-CE2 3.69Å
718	T	79.1	Confident	88.7	Confident	49 Å²	49	18 Å²	18	30%	0.301	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.7	170.8	53.1	0	0	0	0	112.9	M363 A702 T704 Q720	M363-T718 HydrophobicContact CE-CG2 4.06Å; M363-T718 HydrophobicContact SD-CG2 3.77Å; A702-T718 HydrophobicContact CB-CG2 3.82Å; A702-T718 PolarHBondContact O-N 3.11Å; T704-T718 HydrophobicContact CG2-CG2 3.53Å; T718-Q720 PolarHBondContact O-N 3.43Å
719	E	75.9	Confident	87.8	Confident	110 Å²	110	20.5 Å²	20.5	51%	0.514	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	12.8	178.8	-61.6	-179.1	-154.7	0	0	113	T717 E721	T717-E719 PolarHBondContact O-N 2.84Å; T717-E719 PolarHBondContact OG1-N 3.35Å; E719-E721 VanDerWaalsContact C-N 3.25Å; E719-E721 HydrophobicContact CB-CG 3.99Å; E719-E721 PolarHBondContact O-N 2.9Å
720	Q	80.3	Confident	86.5	Confident	41 Å²	41	22.3 Å²	22.3	19%	0.192	11%	0.107	C	C	.	.	S	Bend	trans	60.8	34.7	-177.8	-46.8	-62.1	-19.2	0	0	113.2	T717 T718 L772 L783	T717-Q720 PolarHBondContact O-N 3.08Å; T718-Q720 PolarHBondContact O-N 3.43Å; Q720-L772 HydrophobicContact CB-CB 3.95Å; Q720-L772 PolarHBondContact O-N 3.49Å; Q720-L783 VanDerWaalsContact OE1-CB 3.25Å
721	E	83.6	Confident	84.7	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.2	177.3	-57.2	179.1	130.7	0	0	110.6	H701 S716 T717 E719 Y723 L768 L770 R771	H701-E721 IonicContact CE1-OE2 2.64Å; H701-E721 IonicContact ND1-OE2 2.98Å; S716-E721 CarbonylContact C-O 3.53Å; S716-E721 WeakPolarHBondContact CA-O 3.33Å; T717-E721 HydrophobicContact CG2-CB 4.34Å; T717-E721 PolarHBondContact N-O 3.22Å; T717-E721 WeakPolarHBondContact OG1-CB 3.34Å; T717-E721 PolarHBondContact OG1-OE2 3.47Å; E719-E721 VanDerWaalsContact C-N 3.25Å; E719-E721 HydrophobicContact CB-CG 3.99Å; E719-E721 PolarHBondContact O-N 2.9Å; E721-Y723 HydrophobicContact CB-CD2 4.3Å; E721-Y723 HydrophobicContact CB-CE2 3.73Å; E721-Y723 PolarHBondContact OE2-OH 3.06Å; E721-L768 HydrophobicContact CB-CD1 3.61Å; E721-L768 HydrophobicContact CG-CD1 4.05Å; E721-L770 CarbonylContact C-O 3.59Å; E721-L770 VanDerWaalsContact CA-O 3.32Å; E721-L770 WeakPolarHBondContact CA-O 3.37Å; E721-R771 HydrophobicContact CG-CG 4.19Å; E721-R771 IonicContact OE1-CZ 3.1Å; E721-R771 IonicContact OE1-NE 3.93Å; E721-R771 PolarHBondContact OE1-NE 3.09Å; E721-R771 IonicContact OE1-NH2 2.69Å; E721-R771 PolarHBondContact OE1-NH2 3.3Å
722	L	86	Confident	82.6	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.9	172	-170.2	62.6	0	0	0	109.3	L412 L714 I769 L770 L786 V795	L412-L722 HydrophobicContact CD2-CD2 4.38Å; L714-L722 HydrophobicContact CB-CD1 4.45Å; L714-L722 HydrophobicContact CD2-CD1 4.24Å; L714-L722 HydrophobicContact CD2-CD2 4.3Å; L714-L722 HydrophobicContact CD2-CG 4.11Å; L722-I769 HydrophobicContact CB-CG1 4.2Å; L722-I769 HydrophobicContact CD2-CD1 3.85Å; L722-I769 HydrophobicContact CD2-CG1 4.26Å; L722-I769 HydrophobicContact CG-CD1 4.05Å; L722-I769 HydrophobicContact CG-CG1 4.06Å; L722-I769 WeakPolarHBondContact O-CG1 3Å; L722-I769 PolarHBondContact O-N 3.11Å; L722-L770 HydrophobicContact CB-CB 3.82Å; L722-L770 HydrophobicContact CD2-CB 4.48Å; L722-L770 PolarHBondContact N-O 3.24Å; L722-L770 PolarHBondContact O-N 3.14Å; L722-L786 HydrophobicContact CD1-CD1 3.67Å; L722-L786 HydrophobicContact CD1-CD2 4.15Å; L722-L786 HydrophobicContact CD2-CD2 4.39Å; L722-V795 HydrophobicContact CD2-CG2 4.48Å
723	Y	90.5	Very high	80	Confident	21 Å²	21	41 Å²	41	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.9	176.1	-70.8	-100.8	0	0	0	110.2	L698 H701 L714 V715 T717 E721 P766 S767 L768	L698-Y723 HydrophobicContact CD2-CD1 4.03Å; L698-Y723 HydrophobicContact CD2-CD2 4.31Å; L698-Y723 HydrophobicContact CD2-CE1 4.28Å; L698-Y723 HydrophobicContact CD2-CG 4.03Å; H701-Y723 AromaticContact CE1-CZ 3.99Å; H701-Y723 PolarHBondContact CE1-OH 2.97Å; H701-Y723 PolarHBondContact NE2-OH 3.46Å; L714-Y723 VanDerWaalsContact CA-O 3.28Å; L714-Y723 WeakPolarHBondContact CA-O 3.13Å; L714-Y723 WeakPolarHBondContact CD2-O 3.22Å; V715-Y723 PolarHBondContact N-O 2.86Å; V715-Y723 PolarHBondContact O-N 3.4Å; T717-Y723 HydrophobicContact CG2-CD2 3.98Å; T717-Y723 HydrophobicContact CG2-CE2 3.69Å; E721-Y723 HydrophobicContact CB-CD2 4.3Å; E721-Y723 HydrophobicContact CB-CE2 3.73Å; E721-Y723 PolarHBondContact OE2-OH 3.06Å; Y723-P766 HydrophobicContact CD1-CB 4.26Å; Y723-S767 CarbonylContact C-O 3.57Å; Y723-S767 VanDerWaalsContact CA-O 3.3Å; Y723-S767 WeakPolarHBondContact CA-O 3.25Å; Y723-L768 HydrophobicContact CD1-CB 4.32Å; Y723-L768 HydrophobicContact CD2-CD1 4.43Å; Y723-L768 HydrophobicContact CE1-CB 4Å; Y723-L768 HydrophobicContact CE2-CD1 4.04Å
724	F	92.4	Very high	77.3	Confident	2 Å²	2	45 Å²	45	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.9	176.2	174.6	-86.8	0	0	0	110.6	V414 I417 F712 T713 L714 K728 V763 S767 I769	V414-F724 HydrophobicContact CG1-CE2 3.72Å; V414-F724 HydrophobicContact CG1-CZ 3.89Å; I417-F724 HydrophobicContact CD1-CD1 4.19Å; I417-F724 HydrophobicContact CD1-CD2 4.1Å; I417-F724 HydrophobicContact CD1-CE1 4.26Å; I417-F724 HydrophobicContact CD1-CE2 4.15Å; I417-F724 HydrophobicContact CD1-CG 4.12Å; I417-F724 HydrophobicContact CD1-CZ 4.24Å; F712-F724 HydrophobicContact CB-CD2 4.39Å; F712-F724 HydrophobicContact CB-CE2 3.51Å; F712-F724 HydrophobicContact CB-CZ 3.66Å; F712-F724 HydrophobicContact CD1-CE2 4.41Å; F712-F724 AromaticContact CD2-CD2 3.93Å; F712-F724 HydrophobicContact CD2-CD2 3.93Å; F712-F724 AromaticContact CD2-CE2 3.44Å; F712-F724 HydrophobicContact CD2-CE2 3.44Å; F712-F724 VanDerWaalsContact CD2-CE2 3.44Å; F712-F724 HydrophobicContact CD2-CZ 4.42Å; F712-F724 HydrophobicContact CE2-CE2 4.26Å; F712-F724 HydrophobicContact CG-CD2 4.41Å; F712-F724 AromaticContact CG-CE2 3.52Å; F712-F724 HydrophobicContact CG-CE2 3.52Å; F712-F724 HydrophobicContact CG-CZ 4.09Å; T713-F724 WeakPolarHBondContact O-CA 3.41Å; L714-F724 HydrophobicContact CD2-CB 3.81Å; L714-F724 HydrophobicContact CD2-CD2 3.71Å; L714-F724 HydrophobicContact CD2-CG 4.26Å; L714-F724 HydrophobicContact CG-CD2 4.25Å; F724-K728 HydrophobicContact CE1-CG 3.87Å; F724-K728 HydrophobicContact CZ-CG 4.12Å; F724-V763 HydrophobicContact CD1-CB 4.24Å; F724-V763 HydrophobicContact CD1-CG2 4.12Å; F724-V763 HydrophobicContact CE1-CB 4.19Å; F724-V763 HydrophobicContact CE1-CG2 3.98Å; F724-S767 PolarHBondContact N-O 3.39Å; F724-S767 PolarHBondContact O-N 3.07Å; F724-I769 HydrophobicContact CB-CB 4.46Å; F724-I769 HydrophobicContact CB-CD1 3.71Å; F724-I769 HydrophobicContact CB-CG1 3.96Å; F724-I769 HydrophobicContact CB-CG2 3.68Å
725	W	91.6	Very high	74.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.1	163.1	64.5	96.3	0	0	0	110.6	I670 T677 E678 G680 V695 L698 F712 T713 V715 V763 P766	I670-W725 HydrophobicContact CD1-CZ2 4.49Å; I670-W725 HydrophobicContact CG1-CZ2 4.14Å; T677-W725 VanDerWaalsContact O-CD1 3.24Å; E678-W725 PolarHBondContact O-NE1 2.61Å; G680-W725 VanDerWaalsContact N-NE1 3.13Å; V695-W725 HydrophobicContact CG2-CZ2 4.45Å; L698-W725 HydrophobicContact CD1-CH2 3.86Å; L698-W725 HydrophobicContact CD1-CZ3 4.02Å; F712-W725 CarbonylContact C-O 3.56Å; F712-W725 VanDerWaalsContact CA-O 3.27Å; F712-W725 WeakPolarHBondContact CA-O 3.48Å; F712-W725 VanDerWaalsContact CB-O 3.29Å; F712-W725 WeakPolarHBondContact CB-O 3.16Å; T713-W725 VanDerWaalsContact CB-CE2 3.42Å; T713-W725 VanDerWaalsContact CB-CZ2 3.47Å; T713-W725 HydrophobicContact CG2-CH2 3.5Å; T713-W725 VanDerWaalsContact CG2-CH2 3.5Å; T713-W725 HydrophobicContact CG2-CZ2 3.26Å; T713-W725 HydrophobicContact CG2-CZ3 4.2Å; T713-W725 PolarHBondContact N-O 2.91Å; T713-W725 PolarHBondContact O-N 2.94Å; T713-W725 VanDerWaalsContact O-N 3.11Å; V715-W725 HydrophobicContact CB-CH2 4.19Å; V715-W725 HydrophobicContact CB-CZ3 4.05Å; V715-W725 HydrophobicContact CG2-CH2 3.49Å; V715-W725 VanDerWaalsContact CG2-CH2 3.49Å; V715-W725 HydrophobicContact CG2-CZ3 3.85Å; W725-V763 HydrophobicContact CB-CG1 4.12Å; W725-V763 WeakPolarHBondContact CB-O 3.28Å; W725-P766 HydrophobicContact CD2-CB 4.16Å; W725-P766 HydrophobicContact CD2-CG 3.73Å; W725-P766 HydrophobicContact CE3-CB 3.58Å; W725-P766 HydrophobicContact CE3-CG 3.61Å; W725-P766 HydrophobicContact CG-CG 4.29Å; W725-P766 HydrophobicContact CH2-CG 4.19Å; W725-P766 HydrophobicContact CZ2-CG 4.33Å; W725-P766 HydrophobicContact CZ3-CB 3.86Å; W725-P766 HydrophobicContact CZ3-CG 3.86Å
726	G	88.8	Confident	72.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.5	-160.7	-172.8	0	0	0	0	0	112.7	N676 V763	N676-G726 VanDerWaalsContact O-CA 3.23Å; N676-G726 WeakPolarHBondContact O-CA 3.36Å; G726-V763 PolarHBondContact N-O 3.34Å; G726-V763 PolarHBondContact O-N 3.06Å
727	R	87.9	Confident	69.8	Low	69 Å²	69	54.5 Å²	54.5	26%	0.26	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.3	-172.4	-172.6	168.3	-176.5	155	7.6	113.3	N676 G711 D729 L730 D759 N761 V762 R791	N676-R727 HydrophobicContact CB-CB 3.8Å; N676-R727 VanDerWaalsContact OD1-CD 3.23Å; N676-R727 WeakPolarHBondContact OD1-CD 3.43Å; G711-R727 PolarHBondContact O-N 2.88Å; R727-D729 WeakPolarHBondContact CG-O 3.29Å; R727-D729 PolarHBondContact NE-O 2.68Å; R727-L730 HydrophobicContact CB-CD1 4.44Å; R727-L730 HydrophobicContact CG-CG 4.13Å; R727-D759 IonicContact NH2-OD2 2.85Å; R727-N761 CarbonylContact C-O 3.53Å; R727-N761 WeakPolarHBondContact CA-O 3.32Å; R727-V762 HydrophobicContact CB-CG2 4.31Å; R727-V762 HydrophobicContact CG-CG2 4.14Å; R727-R791 PolarHBondContact O-NH1 3.29Å; R727-R791 PolarHBondContact O-NH2 3.05Å
728	K	83.6	Confident	67.8	Low	57 Å²	57	58 Å²	58	25%	0.248	30%	0.297	C	S	.	.	S	Bend	trans	-78.4	-34.6	179.8	-64.7	-173.4	-179.9	-178	0	113.6	P415 I417 F724 N761 V763 R791	P415-K728 VanDerWaalsContact CA-O 3.24Å; P415-K728 WeakPolarHBondContact CA-O 3.49Å; P415-K728 WeakPolarHBondContact CG-O 3.3Å; I417-K728 HydrophobicContact CG1-CD 4.33Å; F724-K728 HydrophobicContact CE1-CG 3.87Å; F724-K728 HydrophobicContact CZ-CG 4.12Å; K728-N761 WeakPolarHBondContact CB-O 3.32Å; K728-N761 PolarHBondContact N-O 3.48Å; K728-V763 HydrophobicContact CD-CG2 4.41Å; K728-V763 VanDerWaalsContact CE-CG2 3.41Å; K728-V763 HydrophobicContact CG-CG2 4.44Å; K728-R791 PolarHBondContact O-NH2 2.75Å
729	D	77.9	Confident	65.9	Low	60 Å²	60	59.3 Å²	59.3	32%	0.321	30%	0.303	S	S	.	.			trans	-119.8	107.6	-177	-64.3	-3.8	0	0	0	109.8	P415 R727 N761	P415-D729 WeakPolarHBondContact CA-OD1 3.49Å; P415-D729 VanDerWaalsContact CB-OD1 3.26Å; P415-D729 WeakPolarHBondContact CB-OD1 3.3Å; R727-D729 WeakPolarHBondContact CG-O 3.29Å; R727-D729 PolarHBondContact NE-O 2.68Å; D729-N761 HydrophobicContact CB-CB 4.1Å; D729-N761 PolarHBondContact OD2-ND2 3.21Å; D729-N761 PolarHBondContact OD2-OD1 2.69Å
730	L	66.4	Low	64.1	Low	37 Å²	37	60.8 Å²	60.8	19%	0.194	31%	0.313	C	S	.	.			trans	-129.1	120.6	166.6	-84.4	162.7	0	0	0	105.5	D710 R727 D734	D710-L730 WeakPolarHBondContact O-CD1 3.15Å; R727-L730 HydrophobicContact CB-CD1 4.44Å; R727-L730 HydrophobicContact CG-CG 4.13Å; L730-D734 HydrophobicContact CD2-CB 3.73Å
731	T	53.8	Low	62.1	Low	78 Å²	78	65.1 Å²	65.1	48%	0.479	33%	0.333	S	S	.	.			trans	-74.7	154.6	167.2	65.6	0	0	0	0	108.8	E733 D734	T731-E733 PolarHBondContact O-N 2.69Å; T731-D734 WeakPolarHBondContact CB-OD2 3.46Å; T731-D734 PolarHBondContact N-OD2 3.38Å; T731-D734 WeakPolarHBondContact O-CB 3.4Å; T731-D734 PolarHBondContact O-N 3.36Å; T731-D734 PolarHBondContact OG1-N 3.35Å; T731-D734 PolarHBondContact OG1-OD2 2.97Å
732	D	44.8	Very low	59.9	Low	150 Å²	150	74.4 Å²	74.4	80%	0.802	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.6	174.1	-80.5	-36.5	0	0	0	112.1	V735	D732-V735 WeakPolarHBondContact O-CG2 2.97Å
733	E	37.4	Very low	57.4	Low	181 Å²	181	79.9 Å²	79.9	85%	0.846	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.7	172.4	-61.3	-171.6	173.6	0	0	113.7	T731 V735	T731-E733 PolarHBondContact O-N 2.69Å; E733-V735 VanDerWaalsContact C-N 3.29Å
734	D	40.2	Very low	54.6	Low	85 Å²	85	85.1 Å²	85.1	46%	0.455	45%	0.445	S	S	.	.			trans	-85.5	0.5	177.4	-65.6	-52.7	0	0	0	113.2	L730 T731 C736	L730-D734 HydrophobicContact CD2-CB 3.73Å; T731-D734 WeakPolarHBondContact CB-OD2 3.46Å; T731-D734 PolarHBondContact N-OD2 3.38Å; T731-D734 WeakPolarHBondContact O-CB 3.4Å; T731-D734 PolarHBondContact O-N 3.36Å; T731-D734 PolarHBondContact OG1-N 3.35Å; T731-D734 PolarHBondContact OG1-OD2 2.97Å; D734-C736 PolarHBondContact O-N 3.1Å
735	V	44.4	Very low	51.6	Low	58 Å²	58	90.9 Å²	90.9	35%	0.352	48%	0.48	S	S	.	.	S	Bend	trans	-60	119.2	169.4	-179.6	0	0	0	0	107.5	Y657 D732 E733 I737	Y657-V735 WeakPolarHBondContact OH-CG1 3.19Å; D732-V735 WeakPolarHBondContact O-CG2 2.97Å; E733-V735 VanDerWaalsContact C-N 3.29Å; V735-I737 PolarHBondContact O-N 3.43Å
736	C	39.4	Very low	49	Very low	29 Å²	29	99.9 Å²	99.9	20%	0.196	52%	0.522	C	S	.	.			trans	-36.8	124.6	-170.3	-133.3	0	0	0	0	112.7	R673 D734 D738 D739	R673-C736 PolarHBondContact NH2-SG 2.73Å; D734-C736 PolarHBondContact O-N 3.1Å; C736-D738 HydrophobicContact CB-CB 4.3Å; C736-D738 PolarHBondContact O-N 2.75Å; C736-D738 PolarHBondContact SG-OD2 3.38Å; C736-D739 PolarHBondContact O-N 2.75Å
737	I	36.8	Very low	46	Very low	112 Å²	112	109.7 Å²	109.7	57%	0.574	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-50.7	-18	173.3	-68.7	168	0	0	0	112.2	V735 D739 L740 E741	V735-I737 PolarHBondContact O-N 3.43Å; I737-D739 PolarHBondContact O-N 2.69Å; I737-D739 VanDerWaalsContact O-N 3.12Å; I737-L740 PolarHBondContact O-N 3.42Å; I737-E741 HydrophobicContact CG2-CG 4Å; I737-E741 PolarHBondContact O-N 3.13Å
738	D	42.3	Very low	43.5	Very low	76 Å²	76	116.4 Å²	116.4	41%	0.406	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-57.2	-20.2	170.6	-57.9	-27.3	0	0	0	114.8	C736	C736-D738 HydrophobicContact CB-CB 4.3Å; C736-D738 PolarHBondContact O-N 2.75Å; C736-D738 PolarHBondContact SG-OD2 3.38Å
739	D	40.7	Very low	40.8	Very low	77 Å²	77	121.5 Å²	121.5	41%	0.412	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-88.7	-5.6	175.1	-74.7	2.5	0	0	0	112.1	K593 K612 C736 I737	K593-D739 IonicContact NZ-OD2 2.61Å; K593-D739 PolarHBondContact NZ-OD2 3.37Å; K593-D739 VanDerWaalsContact NZ-OD2 3.1Å; K612-D739 IonicContact NZ-OD1 4Å; K612-D739 PolarHBondContact NZ-OD1 3.17Å; C736-D739 PolarHBondContact O-N 2.75Å; I737-D739 PolarHBondContact O-N 2.69Å; I737-D739 VanDerWaalsContact O-N 3.12Å
740	L	38	Very low	38.4	Very low	140 Å²	140	127.5 Å²	127.5	73%	0.733	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-12.4	176.2	-86.7	155.5	0	0	0	113.8	I737 E742	I737-L740 PolarHBondContact O-N 3.42Å; L740-E742 VanDerWaalsContact C-N 3.33Å; L740-E742 PolarHBondContact O-N 3.01Å
741	E	36.7	Very low	36.8	Very low	132 Å²	132	138.1 Å²	138.1	62%	0.617	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	65.1	-178.2	-74.6	-173.1	177.6	0	0	113.4	I737	I737-E741 HydrophobicContact CG2-CG 4Å; I737-E741 PolarHBondContact O-N 3.13Å
742	E	38.1	Very low	35.5	Very low	197 Å²	197	137.3 Å²	137.3	92%	0.921	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	1.4	150.9	-103.9	-170.5	-177.8	0	0	113.2	L740	L740-E742 VanDerWaalsContact C-N 3.33Å; L740-E742 PolarHBondContact O-N 3.01Å
743	T	33.4	Very low	35	Very low	117 Å²	117	137 Å²	137	72%	0.718	69%	0.694	S	S	*	*	S	Bend	trans	-142.7	128.3	171.2	46.8	0	0	0	0	111.5
744	V	31.5	Very low	34.5	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	69%	0.693	S	S	*	*			trans	105.5	100.9	165.7	-167.5	0	0	0	0	115.7
745	T	29.7	Very low	34	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	71%	0.708	S	S	*	*			trans	-17.7	136	156.6	45.2	0	0	0	0	119
746	E	36.9	Very low	33.5	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	72%	0.723	S	S	*	*			trans	14.8	110	148.5	-66.6	-171.2	158.8	0	0	117.6
747	K	25.9	Very low	33.3	Very low	206 Å²	206	147 Å²	147	90%	0.896	75%	0.753	S	S	*	*			trans	-131.7	106.7	145	-80.8	-171.3	179.2	170.8	0	111.8	M749	K747-M749 PolarHBondContact O-N 3.21Å
748	K	36.2	Very low	33.7	Very low	209 Å²	209	145.2 Å²	145.2	91%	0.909	74%	0.741	S	S	*	*			trans	-52	128.2	159.2	-74.8	174.1	174.5	169.6	0	110.2
749	M	27.1	Very low	34.7	Very low	165 Å²	165	145 Å²	145	81%	0.813	74%	0.74	S	S	*	*			trans	-143.2	114.2	151.9	-91.5	-158.7	176.7	0	0	113.9	K747	K747-M749 PolarHBondContact O-N 3.21Å
750	K	26.5	Very low	35.7	Very low	185 Å²	185	148.7 Å²	148.7	80%	0.804	75%	0.752	S	S	*	*			trans	52.5	105.3	135.1	-65	-178.2	177.2	179.8	0	119.5	G752	K750-G752 PolarHBondContact O-N 3.46Å
751	R	32.5	Very low	37.5	Very low	261 Å²	261	144.6 Å²	144.6	99%	0.985	73%	0.731	S	S	*	*			trans	-58.9	115.9	149.3	-78.4	177.6	171.7	173.4	-3.3	109.5
752	G	26	Very low	39.6	Very low	60 Å²	60	140 Å²	140	62%	0.619	71%	0.712	S	S	*	*			trans	-126.8	119.9	165.2	0	0	0	0	0	109.2	K750 T754	K750-G752 PolarHBondContact O-N 3.46Å; G752-T754 PolarHBondContact O-N 3.47Å
753	T	36	Very low	41.7	Very low	145 Å²	145	131.6 Å²	131.6	89%	0.89	67%	0.674	S	S	*	*			trans	-55.6	121.6	166.6	39.7	0	0	0	0	110.4
754	T	26.2	Very low	43.9	Very low	133 Å²	133	128 Å²	128	82%	0.816	65%	0.652	S	S	*	*			trans	-152.6	135.5	165.8	28	0	0	0	0	111.7	G752	G752-T754 PolarHBondContact O-N 3.47Å
755	T	28.8	Very low	46.3	Very low	127 Å²	127	125.7 Å²	125.7	78%	0.779	63%	0.634	S	S	*	*			trans	-39.9	135.1	169.2	0.4	0	0	0	0	113.3	I757	T755-I757 PolarHBondContact O-N 3.01Å
756	E	34.1	Very low	49	Very low	144 Å²	144	120.6 Å²	120.6	67%	0.673	60%	0.603	S	S	*	*			trans	-65	99.5	176.5	-68.8	-171.9	168	0	0	111
757	I	35	Very low	51.2	Low	158 Å²	158	114 Å²	114	81%	0.81	58%	0.578	S	S	*	*			trans	-82.2	115	167	-62.7	169.9	0	0	0	106.4	T755 D759	T755-I757 PolarHBondContact O-N 3.01Å; I757-D759 PolarHBondContact O-N 3.44Å; I757-D759 VanDerWaalsContact O-N 3.08Å
758	F	46.6	Very low	54	Low	74 Å²	74	106.2 Å²	106.2	33%	0.325	55%	0.546	S	S	.	.			trans	-64.3	108.5	172.8	-79.7	-98.1	0	0	0	109.6	K760 I821 D823	F758-K760 PolarHBondContact O-N 3.03Å; F758-I821 HydrophobicContact CD1-CB 4.03Å; F758-I821 WeakPolarHBondContact CD1-O 3.21Å; F758-I821 WeakPolarHBondContact CD2-O 3.07Å; F758-I821 HydrophobicContact CE1-CB 3.53Å; F758-I821 HydrophobicContact CE1-CG2 3.82Å; F758-I821 VanDerWaalsContact CE1-O 3.27Å; F758-I821 WeakPolarHBondContact CE1-O 3.36Å; F758-I821 WeakPolarHBondContact CE2-O 3.31Å; F758-I821 WeakPolarHBondContact CG-O 3.42Å; F758-I821 HydrophobicContact CZ-CB 3.92Å; F758-I821 HydrophobicContact CZ-CG2 3.82Å; F758-I821 WeakPolarHBondContact CZ-O 3.49Å; F758-D823 HydrophobicContact CZ-CB 4.46Å
759	D	63	Low	56.2	Low	73 Å²	73	97.3 Å²	97.3	39%	0.39	51%	0.509	S	S	.	.			trans	-67.5	111.3	175.3	-172.7	-6.9	0	0	0	109.4	R727 I757 N761 V762	R727-D759 IonicContact NH2-OD2 2.85Å; I757-D759 PolarHBondContact O-N 3.44Å; I757-D759 VanDerWaalsContact O-N 3.08Å; D759-N761 PolarHBondContact O-N 2.69Å; D759-N761 WeakPolarHBondContact OD1-CB 3.16Å; D759-N761 PolarHBondContact OD1-N 3.1Å; D759-V762 HydrophobicContact CB-CG2 4.29Å; D759-V762 PolarHBondContact O-N 3.46Å; D759-V762 VanDerWaalsContact O-N 3.13Å
760	K	61.8	Low	58.8	Low	153 Å²	153	90.1 Å²	90.1	67%	0.665	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.7	179.8	-68.5	-174.8	179.3	-175.5	0	113	F758	F758-K760 PolarHBondContact O-N 3.03Å
761	N	75.3	Confident	61.4	Low	54 Å²	54	85.9 Å²	85.9	29%	0.289	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	0.2	-179	-65.9	-15.5	0	0	0	113.4	R727 K728 D729 D759	R727-N761 CarbonylContact C-O 3.53Å; R727-N761 WeakPolarHBondContact CA-O 3.32Å; K728-N761 WeakPolarHBondContact CB-O 3.32Å; K728-N761 PolarHBondContact N-O 3.48Å; D729-N761 HydrophobicContact CB-CB 4.1Å; D729-N761 PolarHBondContact OD2-ND2 3.21Å; D729-N761 PolarHBondContact OD2-OD1 2.69Å; D759-N761 PolarHBondContact O-N 2.69Å; D759-N761 WeakPolarHBondContact OD1-CB 3.16Å; D759-N761 PolarHBondContact OD1-N 3.1Å
762	V	81	Confident	63.3	Low	36 Å²	36	74 Å²	74	22%	0.218	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.6	177.8	-176.2	0	0	0	0	110.6	T677 R727 D759 T764	T677-V762 HydrophobicContact CG2-CG1 3.99Å; R727-V762 HydrophobicContact CB-CG2 4.31Å; R727-V762 HydrophobicContact CG-CG2 4.14Å; D759-V762 HydrophobicContact CB-CG2 4.29Å; D759-V762 PolarHBondContact O-N 3.46Å; D759-V762 VanDerWaalsContact O-N 3.13Å; V762-T764 HydrophobicContact CG1-CG2 4.44Å
763	V	81.4	Confident	65.2	Low	21 Å²	21	77.5 Å²	77.5	13%	0.127	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.7	174.5	179.3	0	0	0	0	108.4	T677 F724 W725 G726 K728 L765 S767	T677-V763 PolarHBondContact OG1-O 3Å; T677-V763 VanDerWaalsContact OG1-O 3.1Å; F724-V763 HydrophobicContact CD1-CB 4.24Å; F724-V763 HydrophobicContact CD1-CG2 4.12Å; F724-V763 HydrophobicContact CE1-CB 4.19Å; F724-V763 HydrophobicContact CE1-CG2 3.98Å; W725-V763 HydrophobicContact CB-CG1 4.12Å; W725-V763 WeakPolarHBondContact CB-O 3.28Å; G726-V763 PolarHBondContact N-O 3.34Å; G726-V763 PolarHBondContact O-N 3.06Å; K728-V763 HydrophobicContact CD-CG2 4.41Å; K728-V763 VanDerWaalsContact CE-CG2 3.41Å; K728-V763 HydrophobicContact CG-CG2 4.44Å; V763-L765 VanDerWaalsContact CG1-O 3.3Å; V763-L765 WeakPolarHBondContact CG1-O 3.41Å; V763-S767 VanDerWaalsContact CG1-OG 3.29Å; V763-S767 WeakPolarHBondContact CG1-OG 3.33Å
764	T	79.6	Confident	66.1	Low	41 Å²	41	72.9 Å²	72.9	25%	0.252	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-21.2	-167.7	58.8	0	0	0	0	114.7	T677 G682 V762	T677-T764 HydrophobicContact CG2-CG2 4.12Å; T677-T764 WeakPolarHBondContact OG1-CA 3.33Å; G682-T764 WeakPolarHBondContact CA-O 3.35Å; G682-T764 PolarHBondContact N-O 3.38Å; G682-T764 VanDerWaalsContact N-O 3.16Å; V762-T764 HydrophobicContact CG1-CG2 4.44Å
765	L	82	Confident	66.8	Low	82 Å²	82	73.8 Å²	73.8	43%	0.429	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.8	-177.8	-71.9	173.2	0	0	0	110.7	V763 S767	V763-L765 VanDerWaalsContact CG1-O 3.3Å; V763-L765 WeakPolarHBondContact CG1-O 3.41Å; L765-S767 PolarHBondContact O-N 3.5Å; L765-S767 PolarHBondContact O-OG 3.11Å
766	P	86.6	Confident	67.6	Low	15 Å²	15	78.4 Å²	78.4	10%	0.097	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	115.6	174.7	-28.5	34.5	0	0	0	111.9	V695 S697 L698 Y723 W725	V695-P766 HydrophobicContact CG1-CG 3.53Å; S697-P766 VanDerWaalsContact OG-CD 3.29Å; S697-P766 WeakPolarHBondContact OG-CD 3.44Å; S697-P766 WeakPolarHBondContact OG-CG 3.4Å; L698-P766 HydrophobicContact CD1-CB 4.23Å; L698-P766 HydrophobicContact CD1-CG 4.17Å; L698-P766 HydrophobicContact CD2-CB 4.06Å; L698-P766 HydrophobicContact CG-CB 4.08Å; L698-P766 HydrophobicContact CG-CG 4.17Å; Y723-P766 HydrophobicContact CD1-CB 4.26Å; W725-P766 HydrophobicContact CD2-CB 4.16Å; W725-P766 HydrophobicContact CD2-CG 3.73Å; W725-P766 HydrophobicContact CE3-CB 3.58Å; W725-P766 HydrophobicContact CE3-CG 3.61Å; W725-P766 HydrophobicContact CG-CG 4.29Å; W725-P766 HydrophobicContact CH2-CG 4.19Å; W725-P766 HydrophobicContact CZ2-CG 4.33Å; W725-P766 HydrophobicContact CZ3-CB 3.86Å; W725-P766 HydrophobicContact CZ3-CG 3.86Å
767	S	84.4	Confident	68.1	Low	51 Å²	51	75 Å²	75	36%	0.357	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	-176.6	-62.8	0	0	0	0	109.5	Y723 F724 V763 L765 I769	Y723-S767 CarbonylContact C-O 3.57Å; Y723-S767 VanDerWaalsContact CA-O 3.3Å; Y723-S767 WeakPolarHBondContact CA-O 3.25Å; F724-S767 PolarHBondContact N-O 3.39Å; F724-S767 PolarHBondContact O-N 3.07Å; V763-S767 VanDerWaalsContact CG1-OG 3.29Å; V763-S767 WeakPolarHBondContact CG1-OG 3.33Å; L765-S767 PolarHBondContact O-N 3.5Å; L765-S767 PolarHBondContact O-OG 3.11Å; S767-I769 PolarHBondContact O-N 2.74Å
768	L	85.1	Confident	68.5	Low	43 Å²	43	72.9 Å²	72.9	23%	0.225	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.6	177.3	179.5	65.6	0	0	0	110	E721 Y723 L770 R771 L945	E721-L768 HydrophobicContact CB-CD1 3.61Å; E721-L768 HydrophobicContact CG-CD1 4.05Å; Y723-L768 HydrophobicContact CD1-CB 4.32Å; Y723-L768 HydrophobicContact CD2-CD1 4.43Å; Y723-L768 HydrophobicContact CE1-CB 4Å; Y723-L768 HydrophobicContact CE2-CD1 4.04Å; L768-L770 VanDerWaalsContact CD1-O 3.28Å; L768-L770 WeakPolarHBondContact CD1-O 3.4Å; L768-R771 HydrophobicContact CD1-CB 4.44Å; L768-R771 HydrophobicContact CD2-CB 4.36Å; L768-L945 HydrophobicContact CD2-CD1 3.83Å
769	I	82.5	Confident	68.7	Low	23 Å²	23	78.1 Å²	78.1	12%	0.118	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-21.8	-179.7	57.9	156	0	0	0	113.9	L412 I417 L714 L722 F724 S767	L412-I769 HydrophobicContact CD2-CD1 3.96Å; I417-I769 HydrophobicContact CG2-CB 3.59Å; I417-I769 HydrophobicContact CG2-CD1 3.84Å; I417-I769 HydrophobicContact CG2-CG1 4.34Å; I417-I769 HydrophobicContact CG2-CG2 3.68Å; L714-I769 HydrophobicContact CD2-CD1 3.91Å; L722-I769 HydrophobicContact CB-CG1 4.2Å; L722-I769 HydrophobicContact CD2-CD1 3.85Å; L722-I769 HydrophobicContact CD2-CG1 4.26Å; L722-I769 HydrophobicContact CG-CD1 4.05Å; L722-I769 HydrophobicContact CG-CG1 4.06Å; L722-I769 WeakPolarHBondContact O-CG1 3Å; L722-I769 PolarHBondContact O-N 3.11Å; F724-I769 HydrophobicContact CB-CB 4.46Å; F724-I769 HydrophobicContact CB-CD1 3.71Å; F724-I769 HydrophobicContact CB-CG1 3.96Å; F724-I769 HydrophobicContact CB-CG2 3.68Å; S767-I769 PolarHBondContact O-N 2.74Å
770	L	80.8	Confident	68.5	Low	13 Å²	13	75.5 Å²	75.5	7%	0.068	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.4	176.2	-177.3	69	0	0	0	109	L419 E721 L722 L768 L772 V795	L419-L770 HydrophobicContact CD1-CD1 3.92Å; L419-L770 HydrophobicContact CD1-CD2 4.06Å; E721-L770 CarbonylContact C-O 3.59Å; E721-L770 VanDerWaalsContact CA-O 3.32Å; E721-L770 WeakPolarHBondContact CA-O 3.37Å; L722-L770 HydrophobicContact CB-CB 3.82Å; L722-L770 HydrophobicContact CD2-CB 4.48Å; L722-L770 PolarHBondContact N-O 3.24Å; L722-L770 PolarHBondContact O-N 3.14Å; L768-L770 VanDerWaalsContact CD1-O 3.28Å; L768-L770 WeakPolarHBondContact CD1-O 3.4Å; L770-L772 HydrophobicContact CD1-CD2 4.1Å; L770-L772 HydrophobicContact CD2-CD2 4.26Å; L770-L772 HydrophobicContact CD2-CG 4.39Å; L770-L772 HydrophobicContact CG-CD2 4.18Å; L770-L772 HydrophobicContact CG-CG 4.36Å; L770-V795 HydrophobicContact CD2-CG1 4.37Å
771	R	80.3	Confident	68.9	Low	96 Å²	96	69.9 Å²	69.9	36%	0.362	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120	170	178.1	-178.5	-85.7	-177.3	-1.4	108.2	E721 L768 Q773	E721-R771 HydrophobicContact CG-CG 4.19Å; E721-R771 IonicContact OE1-CZ 3.1Å; E721-R771 IonicContact OE1-NE 3.93Å; E721-R771 PolarHBondContact OE1-NE 3.09Å; E721-R771 IonicContact OE1-NH2 2.69Å; E721-R771 PolarHBondContact OE1-NH2 3.3Å; L768-R771 HydrophobicContact CD1-CB 4.44Å; L768-R771 HydrophobicContact CD2-CB 4.36Å; R771-Q773 HydrophobicContact CG-CG 4.01Å
772	L	72.6	Confident	68.9	Low	12 Å²	12	74.7 Å²	74.7	6%	0.063	37%	0.373	C	S	.	.			trans	-94.7	114.7	179.4	-56.9	172.2	0	0	0	109.1	Q720 L770 I781 L783 V797	Q720-L772 HydrophobicContact CB-CB 3.95Å; Q720-L772 PolarHBondContact O-N 3.49Å; L770-L772 HydrophobicContact CD1-CD2 4.1Å; L770-L772 HydrophobicContact CD2-CD2 4.26Å; L770-L772 HydrophobicContact CD2-CG 4.39Å; L770-L772 HydrophobicContact CG-CD2 4.18Å; L770-L772 HydrophobicContact CG-CG 4.36Å; L772-I781 HydrophobicContact CB-CG2 4.16Å; L772-I781 HydrophobicContact CD1-CG2 4.17Å; L772-I781 HydrophobicContact CD2-CG2 4.28Å; L772-I781 HydrophobicContact CG-CG2 4.44Å; L772-L783 HydrophobicContact CD1-CB 4.01Å; L772-V797 HydrophobicContact CD1-CG1 3.97Å; L772-V797 HydrophobicContact CD1-CG2 4.23Å
773	Q	65.4	Low	68.8	Low	134 Å²	134	73.5 Å²	73.5	63%	0.626	37%	0.366	S	S	*	.			trans	-137.1	140.9	178.4	-74.4	-177.5	-17.3	0	0	110.5	R771	R771-Q773 HydrophobicContact CG-CG 4.01Å
774	D	56	Low	68.8	Low	48 Å²	48	74.5 Å²	74.5	26%	0.257	37%	0.374	S	S	.	.			trans	-93	144.5	168.6	-170.5	7.7	0	0	0	110	R776 G777 D778	D774-R776 PolarHBondContact O-N 2.89Å; D774-R776 VanDerWaalsContact O-N 3.1Å; D774-G777 PolarHBondContact O-N 3.35Å; D774-D778 VanDerWaalsContact CB-O 3.23Å; D774-D778 WeakPolarHBondContact CB-O 3.23Å
775	E	41.6	Very low	69.1	Low	152 Å²	152	73.6 Å²	73.6	71%	0.71	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	-177.4	-69.8	-178.9	174.9	0	0	113.1
776	R	43.9	Very low	69.5	Low	224 Å²	224	70.8 Å²	70.8	85%	0.845	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.6	177.5	-59.9	-175.3	-170.4	-167.3	2.4	113.8	D774 D778	D774-R776 PolarHBondContact O-N 2.89Å; D774-R776 VanDerWaalsContact O-N 3.1Å; R776-D778 PolarHBondContact O-N 2.88Å
777	G	44.8	Very low	69.9	Low	71 Å²	71	70.5 Å²	70.5	73%	0.732	36%	0.357	S	S	*	.			trans	68.9	14.5	-170.8	0	0	0	0	0	114	D774	D774-G777 PolarHBondContact O-N 3.35Å
778	D	43.3	Very low	70.4	Confident	114 Å²	114	69.3 Å²	69.3	61%	0.61	35%	0.347	S	S	*	.			trans	-89.3	149.8	-179.5	-122.6	-20.1	0	0	0	111.8	D774 R776 G780	D774-D778 VanDerWaalsContact CB-O 3.23Å; D774-D778 WeakPolarHBondContact CB-O 3.23Å; R776-D778 PolarHBondContact O-N 2.88Å; D778-G780 PolarHBondContact O-N 2.89Å
779	K	50.8	Low	70.7	Confident	185 Å²	185	67.9 Å²	67.9	80%	0.804	34%	0.341	S	S	*	.	S	Bend	trans	-72.7	39.2	-167.9	-61	179.9	177.5	-178.6	0	114.6
780	G	58.9	Low	71.1	Confident	17 Å²	17	67.1 Å²	67.1	18%	0.175	34%	0.338	C	S	.	.			trans	-74.4	-28.3	-171.1	0	0	0	0	0	116.3	D778 L800	D778-G780 PolarHBondContact O-N 2.89Å; G780-L800 PolarHBondContact O-N 2.81Å
781	I	70	Confident	71.5	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.185	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.6	-171.4	-55.3	179.9	0	0	0	109.1	L772 V797 D798 M799	L772-I781 HydrophobicContact CB-CG2 4.16Å; L772-I781 HydrophobicContact CD1-CG2 4.17Å; L772-I781 HydrophobicContact CD2-CG2 4.28Å; L772-I781 HydrophobicContact CG-CG2 4.44Å; I781-V797 HydrophobicContact CG2-CG1 3.53Å; I781-D798 VanDerWaalsContact CA-O 3.3Å; I781-D798 WeakPolarHBondContact CA-O 3.32Å; I781-M799 HydrophobicContact CB-SD 4.16Å; I781-M799 HydrophobicContact CD1-CE 3.79Å; I781-M799 HydrophobicContact CD1-SD 3.83Å; I781-M799 HydrophobicContact CG1-CE 4.12Å; I781-M799 HydrophobicContact CG1-SD 3.63Å; I781-M799 HydrophobicContact CG2-SD 3.66Å
782	R	75.4	Confident	72	Confident	154 Å²	154	67.1 Å²	67.1	58%	0.581	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.1	-177.4	168.8	168.1	-174	-173.2	4.2	111.5	S784 V797 D798	R782-S784 PolarHBondContact O-N 3.14Å; R782-V797 CarbonylContact O-C 3.08Å; R782-V797 WeakPolarHBondContact O-CA 3.34Å; R782-D798 HydrophobicContact CB-CB 4.44Å; R782-D798 PolarHBondContact N-O 2.55Å; R782-D798 PolarHBondContact O-N 3.06Å
783	L	79.9	Confident	73	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.063	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	109.2	163.3	-172.8	72.3	0	0	0	108.3	S716 Q720 L772 L786 V795	S716-L783 VanDerWaalsContact CB-CD2 3.42Å; Q720-L783 VanDerWaalsContact OE1-CB 3.25Å; L772-L783 HydrophobicContact CD1-CB 4.01Å; L783-L786 HydrophobicContact CD1-CD2 3.96Å; L783-L786 HydrophobicContact CD1-CG 4.35Å; L783-L786 HydrophobicContact CD2-CD1 4.06Å; L783-L786 HydrophobicContact CD2-CD2 4.38Å; L783-L786 HydrophobicContact CD2-CG 4.16Å; L783-L786 HydrophobicContact CG-CG 4.45Å; L783-V795 HydrophobicContact CD1-CG1 3.47Å; L783-V795 VanDerWaalsContact CD1-CG1 3.47Å
784	S	81.1	Confident	74.4	Confident	42 Å²	42	60.2 Å²	60.2	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-22.7	-173	55.8	0	0	0	0	113.6	R782 A796 D798	R782-S784 PolarHBondContact O-N 3.14Å; S784-A796 PolarHBondContact N-O 3.5Å; S784-A796 PolarHBondContact OG-O 2.96Å; S784-D798 WeakPolarHBondContact CB-OD1 3.31Å; S784-D798 WeakPolarHBondContact CB-OD2 3.5Å; S784-D798 VanDerWaalsContact OG-CG 3.27Å; S784-D798 PolarHBondContact OG-OD1 2.83Å
785	G	84.9	Confident	76.1	Confident	21 Å²	21	58 Å²	58	22%	0.216	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	153.7	175.9	0	0	0	0	0	113.2	A796	G785-A796 PolarHBondContact N-O 2.95Å; G785-A796 PolarHBondContact O-N 3.08Å
786	L	91.8	Very high	78.3	Confident	24 Å²	24	50.9 Å²	50.9	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.9	173	-67.4	171.2	0	0	0	109	H705 L707 L722 L783 H794 V795	H705-L786 HydrophobicContact CB-CD1 4.27Å; L707-L786 HydrophobicContact CD1-CB 3.41Å; L707-L786 VanDerWaalsContact CD1-CB 3.41Å; L707-L786 HydrophobicContact CD1-CD1 4.38Å; L707-L786 HydrophobicContact CD1-CG 4.48Å; L707-L786 HydrophobicContact CG-CB 4.43Å; L722-L786 HydrophobicContact CD1-CD1 3.67Å; L722-L786 HydrophobicContact CD1-CD2 4.15Å; L722-L786 HydrophobicContact CD2-CD2 4.39Å; L783-L786 HydrophobicContact CD1-CD2 3.96Å; L783-L786 HydrophobicContact CD1-CG 4.35Å; L783-L786 HydrophobicContact CD2-CD1 4.06Å; L783-L786 HydrophobicContact CD2-CD2 4.38Å; L783-L786 HydrophobicContact CD2-CG 4.16Å; L783-L786 HydrophobicContact CG-CG 4.45Å; L786-H794 WeakPolarHBondContact CA-O 3.45Å; L786-V795 HydrophobicContact CD2-CB 4.2Å; L786-V795 HydrophobicContact CD2-CG1 3.95Å; L786-V795 HydrophobicContact CD2-CG2 3.84Å
787	A	93.9	Very high	80.3	Confident	9 Å²	9	40.3 Å²	40.3	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135.7	178	0	0	0	0	0	110.7	V434 L436 V793 H794	V434-A787 HydrophobicContact CB-CB 4.28Å; V434-A787 HydrophobicContact CG1-CB 4.17Å; L436-A787 HydrophobicContact CD1-CB 4.37Å; L436-A787 HydrophobicContact CD2-CB 3.25Å; L436-A787 HydrophobicContact CG-CB 4.4Å; A787-V793 WeakPolarHBondContact O-CA 3.47Å; A787-H794 HydrophobicContact CB-CB 4.49Å; A787-H794 PolarHBondContact N-O 2.83Å; A787-H794 PolarHBondContact O-N 3.48Å
788	V	94.5	Very high	82.1	Confident	26 Å²	26	38.8 Å²	38.8	16%	0.158	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.2	178.5	70	0	0	0	0	111.4	L707 F712 K792 V793	L707-V788 HydrophobicContact CB-CB 4.31Å; L707-V788 HydrophobicContact CB-CG1 3.72Å; L707-V788 HydrophobicContact CD1-CB 4.22Å; L707-V788 HydrophobicContact CD1-CG1 4.22Å; L707-V788 HydrophobicContact CD2-CG1 4.11Å; L707-V788 HydrophobicContact CG-CG1 4.24Å; F712-V788 HydrophobicContact CE2-CG2 4.43Å; F712-V788 HydrophobicContact CZ-CG2 4.06Å; V788-K792 WeakPolarHBondContact CA-O 3.28Å; V788-V793 HydrophobicContact CB-CG2 4.46Å; V788-V793 HydrophobicContact CG2-CG2 3.88Å
789	S	93.3	Very high	83.5	Confident	13 Å²	13	34.1 Å²	34.1	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	118.1	162.2	-179.1	0	0	0	0	109.3	S437 K438 R791 K792	S437-S789 WeakPolarHBondContact CA-OG 3.23Å; K438-S789 PolarHBondContact N-OG 2.98Å; S789-R791 PolarHBondContact O-N 3.06Å; S789-R791 VanDerWaalsContact O-N 3.13Å; S789-K792 PolarHBondContact N-O 3.22Å; S789-K792 PolarHBondContact O-N 2.67Å
790	G	89.5	Confident	84	Confident	6 Å²	6	28.9 Å²	28.9	6%	0.062	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-115	-169.4	0	0	0	0	0	111.6	G709 D710	G709-G790 CarbonylContact C-O 3.52Å; G709-G790 VanDerWaalsContact CA-O 3.3Å; G709-G790 WeakPolarHBondContact CA-O 3.35Å; D710-G790 VanDerWaalsContact CG-CA 3.41Å; D710-G790 PolarHBondContact N-O 2.81Å; D710-G790 VanDerWaalsContact OD2-CA 3.23Å; D710-G790 WeakPolarHBondContact OD2-CA 3.34Å
791	R	89.1	Confident	83.6	Confident	51 Å²	51	35 Å²	35	19%	0.192	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.8	176	-57.4	-170.1	66.1	74.7	-0.6	114.5	V414 D710 F712 R727 K728 S789	V414-R791 VanDerWaalsContact CG1-NH2 3.3Å; V414-R791 WeakPolarHBondContact CG2-O 3.34Å; D710-R791 HydrophobicContact CB-CG 3.97Å; D710-R791 PolarHBondContact O-NH1 3.47Å; F712-R791 HydrophobicContact CE1-CB 4.45Å; F712-R791 HydrophobicContact CE1-CG 4.39Å; R727-R791 PolarHBondContact O-NH1 3.29Å; R727-R791 PolarHBondContact O-NH2 3.05Å; K728-R791 PolarHBondContact O-NH2 2.75Å; S789-R791 PolarHBondContact O-N 3.06Å; S789-R791 VanDerWaalsContact O-N 3.13Å
792	K	91.4	Very high	82.5	Confident	58 Å²	58	36.8 Å²	36.8	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126	177.2	-168.2	177.8	-168.6	-172.9	0	109.3	L436 T441 V788 S789 H794	L436-K792 HydrophobicContact CD1-CB 4.49Å; L436-K792 HydrophobicContact CD1-CG 4.37Å; T441-K792 PolarHBondContact OG1-NZ 3.21Å; V788-K792 WeakPolarHBondContact CA-O 3.28Å; S789-K792 PolarHBondContact N-O 3.22Å; S789-K792 PolarHBondContact O-N 2.67Å; K792-H794 WeakPolarHBondContact CE-NE2 3.23Å
793	V	93.8	Very high	81	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.2	-177.1	-180	0	0	0	0	109.5	L412 V414 F712 L714 A787 V788 V795	L412-V793 HydrophobicContact CB-CB 4.03Å; L412-V793 HydrophobicContact CB-CG1 3.98Å; L412-V793 HydrophobicContact CD2-CB 4.45Å; L412-V793 HydrophobicContact CD2-CG1 4Å; L412-V793 PolarHBondContact N-O 2.9Å; V414-V793 HydrophobicContact CG2-CG2 3.94Å; F712-V793 HydrophobicContact CE2-CG2 3.9Å; F712-V793 HydrophobicContact CZ-CG2 3.66Å; L714-V793 HydrophobicContact CD1-CB 4.46Å; L714-V793 HydrophobicContact CD1-CG1 3.64Å; L714-V793 HydrophobicContact CD1-CG2 3.96Å; A787-V793 WeakPolarHBondContact O-CA 3.47Å; V788-V793 HydrophobicContact CB-CG2 4.46Å; V788-V793 HydrophobicContact CG2-CG2 3.88Å; V793-V795 HydrophobicContact CG1-CG2 4.32Å
794	H	94.1	Very high	79.2	Confident	2 Å²	2	44 Å²	44	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.4	172.8	-70.1	-43.4	0	0	0	111.2	L409 Y410 D411 V434 T441 L786 A787 K792	L409-H794 HydrophobicContact CD1-CB 4Å; Y410-H794 CarbonylContact O-C 3.57Å; Y410-H794 VanDerWaalsContact O-CA 3.31Å; Y410-H794 WeakPolarHBondContact O-CA 3.45Å; D411-H794 IonicContact OD1-CE1 3.19Å; D411-H794 PolarHBondContact OD1-CE1 2.95Å; D411-H794 IonicContact OD1-ND1 2.77Å; V434-H794 HydrophobicContact CG1-CB 4.23Å; T441-H794 PolarHBondContact OG1-NE2 3.18Å; T441-H794 VanDerWaalsContact OG1-NE2 3.12Å; L786-H794 WeakPolarHBondContact CA-O 3.45Å; A787-H794 HydrophobicContact CB-CB 4.49Å; A787-H794 PolarHBondContact N-O 2.83Å; A787-H794 PolarHBondContact O-N 3.48Å; K792-H794 WeakPolarHBondContact CE-NE2 3.23Å
795	V	91.5	Very high	77.3	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.2	-179	-175.9	0	0	0	0	108.5	Y410 L412 L419 L722 L770 L783 L786 V793 V797	Y410-V795 PolarHBondContact N-O 2.96Å; Y410-V795 PolarHBondContact O-N 3.2Å; L412-V795 HydrophobicContact CB-CG2 4.06Å; L419-V795 HydrophobicContact CD2-CB 4.09Å; L419-V795 HydrophobicContact CD2-CG2 3.88Å; L722-V795 HydrophobicContact CD2-CG2 4.48Å; L770-V795 HydrophobicContact CD2-CG1 4.37Å; L783-V795 HydrophobicContact CD1-CG1 3.47Å; L783-V795 VanDerWaalsContact CD1-CG1 3.47Å; L786-V795 HydrophobicContact CD2-CB 4.2Å; L786-V795 HydrophobicContact CD2-CG1 3.95Å; L786-V795 HydrophobicContact CD2-CG2 3.84Å; V793-V795 HydrophobicContact CG1-CG2 4.32Å; V795-V797 HydrophobicContact CG1-CG2 4.11Å
796	A	89.4	Confident	75.2	Confident	4 Å²	4	44 Å²	44	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127	176.9	0	0	0	0	0	110	T407 L409 S784 G785	T407-A796 HydrophobicContact CG2-CB 3.84Å; L409-A796 HydrophobicContact CD1-CB 4.07Å; S784-A796 PolarHBondContact N-O 3.5Å; S784-A796 PolarHBondContact OG-O 2.96Å; G785-A796 PolarHBondContact N-O 2.95Å; G785-A796 PolarHBondContact O-N 3.08Å
797	V	85.9	Confident	72.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.9	-177.5	-177.7	0	0	0	0	109.5	T407 T408 Y410 L772 I781 R782 V795 M799	T407-V797 CarbonylContact C-O 3.54Å; T407-V797 WeakPolarHBondContact CA-O 3.32Å; T408-V797 PolarHBondContact N-O 3.44Å; T408-V797 PolarHBondContact O-N 3.03Å; Y410-V797 HydrophobicContact CD2-CB 4.46Å; Y410-V797 HydrophobicContact CD2-CG2 4.08Å; Y410-V797 HydrophobicContact CE2-CB 4.18Å; Y410-V797 HydrophobicContact CE2-CG2 4.17Å; L772-V797 HydrophobicContact CD1-CG1 3.97Å; L772-V797 HydrophobicContact CD1-CG2 4.23Å; I781-V797 HydrophobicContact CG2-CG1 3.53Å; R782-V797 CarbonylContact O-C 3.08Å; R782-V797 WeakPolarHBondContact O-CA 3.34Å; V795-V797 HydrophobicContact CG1-CG2 4.11Å; V797-M799 HydrophobicContact CG1-SD 4.05Å
798	D	82.2	Confident	70	Confident	39 Å²	39	51.1 Å²	51.1	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.7	173.7	-70.1	-7.9	0	0	0	110.6	F406 T407 I781 R782 S784	F406-D798 WeakPolarHBondContact O-CA 3.27Å; T407-D798 VanDerWaalsContact CB-OD1 3.32Å; T407-D798 WeakPolarHBondContact CB-OD1 3.14Å; T407-D798 VanDerWaalsContact CG2-OD1 3.22Å; T407-D798 WeakPolarHBondContact CG2-OD1 3.44Å; T407-D798 PolarHBondContact OG1-OD1 3.25Å; I781-D798 VanDerWaalsContact CA-O 3.3Å; I781-D798 WeakPolarHBondContact CA-O 3.32Å; R782-D798 HydrophobicContact CB-CB 4.44Å; R782-D798 PolarHBondContact N-O 2.55Å; R782-D798 PolarHBondContact O-N 3.06Å; S784-D798 WeakPolarHBondContact CB-OD1 3.31Å; S784-D798 WeakPolarHBondContact CB-OD2 3.5Å; S784-D798 VanDerWaalsContact OG-CG 3.27Å; S784-D798 PolarHBondContact OG-OD1 2.83Å
799	M	71.1	Confident	67.3	Low	15 Å²	15	51.7 Å²	51.7	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	-179.8	-54.9	-72.2	-81.6	0	0	109.7	F406 I781 V797 K803 L805	F406-M799 PolarHBondContact N-O 2.79Å; F406-M799 VanDerWaalsContact N-O 3.14Å; F406-M799 PolarHBondContact O-N 2.92Å; I781-M799 HydrophobicContact CB-SD 4.16Å; I781-M799 HydrophobicContact CD1-CE 3.79Å; I781-M799 HydrophobicContact CD1-SD 3.83Å; I781-M799 HydrophobicContact CG1-CE 4.12Å; I781-M799 HydrophobicContact CG1-SD 3.63Å; I781-M799 HydrophobicContact CG2-SD 3.66Å; V797-M799 HydrophobicContact CG1-SD 4.05Å; M799-K803 HydrophobicContact CE-CB 4.25Å; M799-K803 WeakPolarHBondContact CE-O 3.24Å; M799-L805 HydrophobicContact CE-CD1 4.28Å; M799-L805 HydrophobicContact SD-CD1 4.38Å
800	L	62.3	Low	64.5	Low	76 Å²	76	55.2 Å²	55.2	40%	0.398	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.8	167.9	-74	167.7	0	0	0	110.1	G780	G780-L800 PolarHBondContact O-N 2.81Å
801	E	51.4	Low	61.7	Low	146 Å²	146	63.4 Å²	63.4	68%	0.682	35%	0.351	S	S	*	.	S	Bend	trans	38.7	105.6	178.8	-74.1	-169.6	161.5	0	0	118.5	K803	E801-K803 VanDerWaalsContact C-N 3.32Å; E801-K803 PolarHBondContact O-N 3.13Å
802	G	46.5	Very low	59	Low	72 Å²	72	70.5 Å²	70.5	74%	0.742	38%	0.377	S	S	*	.	S	Bend	trans	74.3	-3.1	146.3	0	0	0	0	0	118.9
803	K	43	Very low	55.8	Low	116 Å²	116	73.6 Å²	73.6	50%	0.504	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-96.2	125.9	179.8	-64.1	179.9	-175.8	175.9	0	111.3	M799 E801	M799-K803 HydrophobicContact CE-CB 4.25Å; M799-K803 WeakPolarHBondContact CE-O 3.24Å; E801-K803 VanDerWaalsContact C-N 3.32Å; E801-K803 PolarHBondContact O-N 3.13Å
804	R	43.1	Very low	52.6	Low	202 Å²	202	82.5 Å²	82.5	76%	0.762	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-88.9	147.4	165.7	-72.6	-177.2	176.6	-178.2	-1.6	108.7
805	L	41.3	Very low	49.6	Very low	21 Å²	21	88.4 Å²	88.4	11%	0.11	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-59.2	132.8	157.1	-88	103.6	0	0	0	107.9	Y410 M799 S807 L809 C942	Y410-L805 HydrophobicContact CE2-CD1 4.17Å; Y410-L805 VanDerWaalsContact OH-CD1 3.25Å; Y410-L805 WeakPolarHBondContact OH-CD1 3.22Å; M799-L805 HydrophobicContact CE-CD1 4.28Å; M799-L805 HydrophobicContact SD-CD1 4.38Å; L805-S807 PolarHBondContact O-N 3.34Å; L805-L809 HydrophobicContact CB-CD1 4.16Å; L805-L809 HydrophobicContact CD2-CD1 3.43Å; L805-L809 VanDerWaalsContact CD2-CD1 3.43Å; L805-L809 HydrophobicContact CG-CD1 4.43Å; L805-C942 HydrophobicContact CD2-CB 3.57Å; L805-C942 WeakPolarHBondContact CD2-SG 3.48Å; L805-C942 HydrophobicContact CG-CB 4.28Å
806	P	40.2	Very low	46.5	Very low	43 Å²	43	90.5 Å²	90.5	28%	0.279	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-55.4	137.1	-179.3	-20.5	27.9	0	0	0	110.9	A808 L809 T940	P806-A808 HydrophobicContact CB-CB 4.29Å; P806-A808 PolarHBondContact O-N 3.47Å; P806-L809 PolarHBondContact O-N 3.15Å; P806-T940 WeakPolarHBondContact CG-O 3.46Å
807	S	39.2	Very low	43.6	Very low	116 Å²	116	94 Å²	94	81%	0.811	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-62.5	-5.7	174.4	73.8	0	0	0	0	113.4	L805 L809 A810	L805-S807 PolarHBondContact O-N 3.34Å; S807-L809 PolarHBondContact O-N 3.38Å; S807-A810 PolarHBondContact O-N 2.65Å
808	A	37.5	Very low	40.8	Very low	66 Å²	66	98 Å²	98	55%	0.545	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-69.3	-2.3	175.6	0	0	0	0	0	114.5	P806 A810	P806-A808 HydrophobicContact CB-CB 4.29Å; P806-A808 PolarHBondContact O-N 3.47Å; A808-A810 PolarHBondContact O-N 3.46Å
809	L	37.8	Very low	38.2	Very low	38 Å²	38	101.9 Å²	101.9	20%	0.199	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-73	-8.9	169.6	-70.9	167.6	0	0	0	113.4	L805 P806 S807 I944	L805-L809 HydrophobicContact CB-CD1 4.16Å; L805-L809 HydrophobicContact CD2-CD1 3.43Å; L805-L809 VanDerWaalsContact CD2-CD1 3.43Å; L805-L809 HydrophobicContact CG-CD1 4.43Å; P806-L809 PolarHBondContact O-N 3.15Å; S807-L809 PolarHBondContact O-N 3.38Å; L809-I944 HydrophobicContact CD1-CD1 4.41Å; L809-I944 HydrophobicContact CD2-CB 4.44Å; L809-I944 HydrophobicContact CD2-CD1 3.42Å; L809-I944 VanDerWaalsContact CD2-CD1 3.42Å; L809-I944 HydrophobicContact CD2-CG1 3.74Å; L809-I944 HydrophobicContact CG-CD1 4.33Å
810	A	33.1	Very low	36	Very low	87 Å²	87	104.5 Å²	104.5	72%	0.719	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-75.3	-16.1	179.9	0	0	0	0	0	114.5	S807 A808	S807-A810 PolarHBondContact O-N 2.65Å; A808-A810 PolarHBondContact O-N 3.46Å
811	E	32.6	Very low	34.4	Very low	178 Å²	178	103.8 Å²	103.8	83%	0.832	61%	0.606	S	S	*	*	S	Bend	trans	-147	68.6	-176.9	-70.6	-173.2	166.2	0	0	112.4
812	R	31.3	Very low	33.3	Very low	199 Å²	199	102.8 Å²	102.8	75%	0.751	61%	0.606	S	S	*	*			trans	-141.1	76.5	165	-74.3	-166.7	159	-177.7	-5.5	111.5	R814	R812-R814 PolarHBondContact O-N 2.91Å
813	C	23.9	Very low	32.8	Very low	123 Å²	123	104.3 Å²	104.3	83%	0.831	60%	0.597	S	S	*	*			trans	-62.5	125	164	-70.3	0	0	0	0	110	S815	C813-S815 PolarHBondContact O-N 3.14Å; C813-S815 VanDerWaalsContact O-N 3.13Å
814	R	27.7	Very low	32.2	Very low	187 Å²	187	107 Å²	107	71%	0.706	61%	0.611	S	S	*	*			trans	-65.8	103.1	144.8	-86.1	-165.9	-173.8	-156.8	4.9	107.3	R812 G816 L945	R812-R814 PolarHBondContact O-N 2.91Å; R814-G816 PolarHBondContact O-N 3.49Å; R814-L945 PolarHBondContact NE-OXT 3.46Å; R814-L945 PolarHBondContact NH2-OXT 3.33Å
815	S	30.6	Very low	31.8	Very low	127 Å²	127	101.6 Å²	101.6	89%	0.888	60%	0.6	S	S	*	*			trans	-77.1	51.9	158.8	62.6	0	0	0	0	110.2	C813	C813-S815 PolarHBondContact O-N 3.14Å; C813-S815 VanDerWaalsContact O-N 3.13Å
816	G	27.3	Very low	31.3	Very low	43 Å²	43	105 Å²	105	44%	0.443	62%	0.622	S	S	.	*	S	Bend	trans	-146.9	96.3	-178.4	0	0	0	0	0	107.4	R814 A818	R814-G816 PolarHBondContact O-N 3.49Å; G816-A818 PolarHBondContact O-N 3.46Å
817	S	26.8	Very low	31	Very low	79 Å²	79	110.3 Å²	110.3	55%	0.552	64%	0.643	S	S	*	*			trans	-39.8	135.5	170.3	1.5	0	0	0	0	110.3
818	A	27.3	Very low	31	Very low	84 Å²	84	106.9 Å²	106.9	69%	0.694	62%	0.617	S	S	*	*			trans	-45	138.5	153.1	0	0	0	0	0	107.8	G816 A820	G816-A818 PolarHBondContact O-N 3.46Å; A818-A820 PolarHBondContact O-N 3.26Å
819	P	27.3	Very low	30.8	Very low	121 Å²	121	112.7 Å²	112.7	79%	0.786	63%	0.625	S	S	*	*			trans	-52.7	122	-178.2	21.1	-30.3	0	0	0	108.2	I821	P819-I821 PolarHBondContact O-N 3.44Å
820	A	25.7	Very low	30.5	Very low	70 Å²	70	116.9 Å²	116.9	58%	0.579	65%	0.647	S	S	*	*			trans	-57	116.1	167.8	0	0	0	0	0	105.7	A818 N822	A818-A820 PolarHBondContact O-N 3.26Å; A820-N822 VanDerWaalsContact C-N 3.31Å; A820-N822 PolarHBondContact O-N 3.27Å
821	I	29.8	Very low	30.5	Very low	62 Å²	62	120.5 Å²	120.5	32%	0.318	64%	0.642	S	S	.	*			trans	-63.4	103.3	166.6	-65.9	167.7	0	0	0	102.9	F758 P819	F758-I821 HydrophobicContact CD1-CB 4.03Å; F758-I821 WeakPolarHBondContact CD1-O 3.21Å; F758-I821 WeakPolarHBondContact CD2-O 3.07Å; F758-I821 HydrophobicContact CE1-CB 3.53Å; F758-I821 HydrophobicContact CE1-CG2 3.82Å; F758-I821 VanDerWaalsContact CE1-O 3.27Å; F758-I821 WeakPolarHBondContact CE1-O 3.36Å; F758-I821 WeakPolarHBondContact CE2-O 3.31Å; F758-I821 WeakPolarHBondContact CG-O 3.42Å; F758-I821 HydrophobicContact CZ-CB 3.92Å; F758-I821 HydrophobicContact CZ-CG2 3.82Å; F758-I821 WeakPolarHBondContact CZ-O 3.49Å; P819-I821 PolarHBondContact O-N 3.44Å
822	N	27.9	Very low	30.6	Very low	125 Å²	125	115.6 Å²	115.6	67%	0.668	62%	0.619	S	S	*	*			trans	-77.9	129.6	156.1	-92	-9.6	0	0	0	105.1	A820 E824 T825	A820-N822 VanDerWaalsContact C-N 3.31Å; A820-N822 PolarHBondContact O-N 3.27Å; N822-E824 PolarHBondContact O-N 2.72Å; N822-T825 PolarHBondContact O-OG1 2.96Å
823	D	36.1	Very low	30.7	Very low	103 Å²	103	112.3 Å²	112.3	55%	0.551	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	77.1	-175.4	-153.4	28.5	0	0	0	110.4	F758	F758-D823 HydrophobicContact CZ-CB 4.46Å
824	E	30.4	Very low	31.1	Very low	174 Å²	174	114.9 Å²	114.9	81%	0.813	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.4	-10	160.8	-99.5	-177	179.1	0	0	111.1	N822	N822-E824 PolarHBondContact O-N 2.72Å
825	T	34.6	Very low	31.4	Very low	87 Å²	87	112.5 Å²	112.5	53%	0.534	61%	0.607	S	S	.	*	S	Bend	trans	-108.4	-6.3	-170.5	50.6	0	0	0	0	115.3	N822 H827 T828	N822-T825 PolarHBondContact O-OG1 2.96Å; T825-H827 VanDerWaalsContact C-N 3.3Å; T825-T828 VanDerWaalsContact C-OG1 3.31Å; T825-T828 VanDerWaalsContact CA-OG1 3.25Å; T825-T828 WeakPolarHBondContact CA-OG1 3.34Å; T825-T828 PolarHBondContact O-N 3.18Å; T825-T828 PolarHBondContact O-OG1 2.98Å
826	T	31.2	Very low	31.6	Very low	93 Å²	93	112.9 Å²	112.9	57%	0.571	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-20.8	174.3	-33.8	0	0	0	0	111.8
827	H	32	Very low	31.7	Very low	155 Å²	155	114.4 Å²	114.4	72%	0.718	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-1.8	168.5	-87.5	-69.3	0	0	0	113.6	T825 R831	T825-H827 VanDerWaalsContact C-N 3.3Å; H827-R831 WeakPolarHBondContact O-CB 3.44Å
828	T	39.4	Very low	31.8	Very low	43 Å²	43	116.5 Å²	116.5	26%	0.264	60%	0.602	S	S	.	*	H	α-helix	trans	-90.4	-25.9	-179.2	50.1	0	0	0	0	114.3	T825 L830 R831 E832	T825-T828 VanDerWaalsContact C-OG1 3.31Å; T825-T828 VanDerWaalsContact CA-OG1 3.25Å; T825-T828 WeakPolarHBondContact CA-OG1 3.34Å; T825-T828 PolarHBondContact O-N 3.18Å; T825-T828 PolarHBondContact O-OG1 2.98Å; T828-L830 PolarHBondContact O-N 3.38Å; T828-R831 CarbonylContact O-C 3.52Å; T828-R831 PolarHBondContact O-N 2.97Å; T828-E832 VanDerWaalsContact O-CA 3.3Å; T828-E832 WeakPolarHBondContact O-CA 3.26Å; T828-E832 WeakPolarHBondContact O-CB 3.43Å; T828-E832 WeakPolarHBondContact O-CG 3.17Å; T828-E832 PolarHBondContact O-N 3.13Å
829	W	33.9	Very low	31.8	Very low	188 Å²	188	116.8 Å²	116.8	71%	0.712	59%	0.591	S	S	*	*	H	α-helix	trans	-62	-43	179.6	134.2	-71	0	0	0	113.4	E833	W829-E833 PolarHBondContact O-N 3.41Å
830	L	30.9	Very low	31.8	Very low	126 Å²	126	117.5 Å²	117.5	66%	0.66	59%	0.586	S	S	*	*	H	α-helix	trans	-80.9	-25.2	-177.4	-109.5	148.5	0	0	0	111.5	T828 F834	T828-L830 PolarHBondContact O-N 3.38Å; L830-F834 PolarHBondContact O-N 3Å
831	R	32.9	Very low	32	Very low	164 Å²	164	119.5 Å²	119.5	62%	0.619	59%	0.594	S	S	*	*	H	α-helix	trans	-84.7	-28.5	174	-148.9	-179	-154.1	167.8	3	111.3	H827 T828 F834 E835	H827-R831 WeakPolarHBondContact O-CB 3.44Å; T828-R831 CarbonylContact O-C 3.52Å; T828-R831 PolarHBondContact O-N 2.97Å; R831-F834 CarbonylContact O-C 3.57Å; R831-F834 PolarHBondContact O-N 2.94Å; R831-E835 WeakPolarHBondContact O-CA 3.2Å; R831-E835 WeakPolarHBondContact O-CB 3.37Å; R831-E835 VanDerWaalsContact O-CG 3.31Å; R831-E835 WeakPolarHBondContact O-CG 3.38Å; R831-E835 PolarHBondContact O-N 3.4Å
832	E	34.9	Very low	32.1	Very low	74 Å²	74	123.4 Å²	123.4	35%	0.346	61%	0.614	S	S	.	*	H	α-helix	trans	-75.7	-38.6	172	-81.2	175.4	-165.7	0	0	110.4	T828 F834 E835 K836	T828-E832 VanDerWaalsContact O-CA 3.3Å; T828-E832 WeakPolarHBondContact O-CA 3.26Å; T828-E832 WeakPolarHBondContact O-CB 3.43Å; T828-E832 WeakPolarHBondContact O-CG 3.17Å; T828-E832 PolarHBondContact O-N 3.13Å; E832-F834 PolarHBondContact O-N 3.4Å; E832-E835 PolarHBondContact O-N 3.21Å; E832-K836 HydrophobicContact CB-CD 4.02Å; E832-K836 HydrophobicContact CB-CG 4.46Å; E832-K836 WeakPolarHBondContact O-CA 3.25Å; E832-K836 WeakPolarHBondContact O-CB 3.49Å; E832-K836 WeakPolarHBondContact O-CD 3.4Å; E832-K836 WeakPolarHBondContact O-CG 3.22Å; E832-K836 PolarHBondContact O-N 2.77Å; E832-K836 IonicContact OE2-NZ 3.83Å; E832-K836 PolarHBondContact OE2-NZ 2.84Å
833	E	34	Very low	32.3	Very low	131 Å²	131	122.7 Å²	122.7	61%	0.612	61%	0.61	S	S	*	*	H	α-helix	trans	-65.1	-27	169	-81.6	-68.6	126.1	0	0	111.7	W829	W829-E833 PolarHBondContact O-N 3.41Å
834	F	32.3	Very low	32.4	Very low	177 Å²	177	122.3 Å²	122.3	78%	0.776	62%	0.621	S	S	*	*	H	α-helix	trans	-83.8	-30.5	173.7	-119.4	-91.2	0	0	0	114.1	L830 R831 E832	L830-F834 PolarHBondContact O-N 3Å; R831-F834 CarbonylContact O-C 3.57Å; R831-F834 PolarHBondContact O-N 2.94Å; E832-F834 PolarHBondContact O-N 3.4Å
835	E	34.1	Very low	32.7	Very low	136 Å²	136	118 Å²	118	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-92.8	-19.8	178.4	-79.3	-173.7	169	0	0	113	R831 E832 A837	R831-E835 WeakPolarHBondContact O-CA 3.2Å; R831-E835 WeakPolarHBondContact O-CB 3.37Å; R831-E835 VanDerWaalsContact O-CG 3.31Å; R831-E835 WeakPolarHBondContact O-CG 3.38Å; R831-E835 PolarHBondContact O-N 3.4Å; E832-E835 PolarHBondContact O-N 3.21Å; E835-A837 PolarHBondContact O-N 2.77Å
836	K	33.8	Very low	32.7	Very low	135 Å²	135	122.6 Å²	122.6	59%	0.587	62%	0.623	S	S	*	*			trans	-82.1	0.8	172.9	-70.1	166.6	176.5	163.4	0	112.6	E832 E838	E832-K836 HydrophobicContact CB-CD 4.02Å; E832-K836 HydrophobicContact CB-CG 4.46Å; E832-K836 WeakPolarHBondContact O-CA 3.25Å; E832-K836 WeakPolarHBondContact O-CB 3.49Å; E832-K836 WeakPolarHBondContact O-CD 3.4Å; E832-K836 WeakPolarHBondContact O-CG 3.22Å; E832-K836 PolarHBondContact O-N 2.77Å; E832-K836 IonicContact OE2-NZ 3.83Å; E832-K836 PolarHBondContact OE2-NZ 2.84Å; K836-E838 PolarHBondContact O-N 3.26Å
837	A	31.1	Very low	32.9	Very low	75 Å²	75	126.9 Å²	126.9	62%	0.62	63%	0.629	S	S	*	*	S	Bend	trans	-70.1	79.5	151.1	0	0	0	0	0	109.1	E835	E835-A837 PolarHBondContact O-N 2.77Å
838	E	28.5	Very low	33.2	Very low	124 Å²	124	131.6 Å²	131.6	58%	0.579	64%	0.64	S	S	*	*	S	Bend	trans	51.8	114.6	174.5	-61	-171.2	152	0	0	116.4	K836 Q906	K836-E838 PolarHBondContact O-N 3.26Å; E838-Q906 PolarHBondContact OE2-NE2 2.99Å
839	I	26.5	Very low	33	Very low	90 Å²	90	134.4 Å²	134.4	46%	0.462	66%	0.657	S	S	.	*				-161.6	128.8	71.4	-75.1	154.2	0	0	0	109.3	P841 L871	I839-P841 WeakPolarHBondContact O-CD 3.46Å; I839-L871 HydrophobicContact CD1-CD2 3.99Å
840	I	27.6	Very low	33.5	Very low	135 Å²	135	137.2 Å²	137.2	69%	0.692	67%	0.667	S	S	*	*			trans	-80.3	120.8	173.3	-60.5	166.7	0	0	0	109.4
841	P	30.4	Very low	33.7	Very low	112 Å²	112	140 Å²	140	73%	0.727	68%	0.675	S	S	*	*			trans	-76.1	130.2	167.8	-3.7	20.8	0	0	0	109.6	I839 D843	I839-P841 WeakPolarHBondContact O-CD 3.46Å; P841-D843 PolarHBondContact O-N 3.16Å
842	I	30.7	Very low	34.2	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	69%	0.687	S	S	*	*			trans	-74.4	107	170.9	-60.7	172	0	0	0	107.6	A844	I842-A844 PolarHBondContact O-N 3.41Å
843	D	33.9	Very low	34.7	Very low	110 Å²	110	142.7 Å²	142.7	59%	0.588	70%	0.703	S	S	*	*			trans	-75.6	103.5	170.9	-173.1	-4.2	0	0	0	109.7	P841 S845	P841-D843 PolarHBondContact O-N 3.16Å; D843-S845 PolarHBondContact O-N 3.1Å; D843-S845 VanDerWaalsContact O-N 3.1Å; D843-S845 VanDerWaalsContact OD1-CB 3.22Å; D843-S845 WeakPolarHBondContact OD1-CB 3.36Å; D843-S845 PolarHBondContact OD1-N 3.05Å; D843-S845 PolarHBondContact OD1-OG 2.61Å; D843-S845 PolarHBondContact OD2-OG 2.97Å
844	A	37.4	Very low	35.4	Very low	95 Å²	95	141.3 Å²	141.3	79%	0.785	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-66.6	-2.2	179	0	0	0	0	0	114	I842	I842-A844 PolarHBondContact O-N 3.41Å
845	S	35.7	Very low	36.1	Very low	84 Å²	84	136.6 Å²	136.6	59%	0.587	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-80.4	-11	-177.8	70.4	0	0	0	0	114.7	D843	D843-S845 PolarHBondContact O-N 3.1Å; D843-S845 VanDerWaalsContact O-N 3.1Å; D843-S845 VanDerWaalsContact OD1-CB 3.22Å; D843-S845 WeakPolarHBondContact OD1-CB 3.36Å; D843-S845 PolarHBondContact OD1-N 3.05Å; D843-S845 PolarHBondContact OD1-OG 2.61Å; D843-S845 PolarHBondContact OD2-OG 2.97Å
846	K	36.1	Very low	36.7	Very low	184 Å²	184	136.4 Å²	136.4	80%	0.8	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-110	29.9	-175.7	-71	-171.9	-178.3	174.7	0	116.3
847	R	35.5	Very low	37.4	Very low	183 Å²	183	137.8 Å²	137.8	69%	0.691	70%	0.702	S	S	*	*			trans	-118	84.6	161.2	-82.7	-172	177.2	174.7	3	111.6	E916	R847-E916 IonicContact CZ-OE1 2.95Å; R847-E916 IonicContact NH2-OE1 2.71Å; R847-E916 PolarHBondContact NH2-OE1 3.21Å
848	R	36.3	Very low	38.3	Very low	253 Å²	253	140.4 Å²	140.4	96%	0.955	70%	0.704	S	S	*	*			trans	-91.6	85.7	150.7	-87.2	-173.7	175.6	179.1	0.1	108.1
849	V	37	Very low	39.4	Very low	102 Å²	102	141.4 Å²	141.4	62%	0.618	71%	0.707	S	S	*	*			trans	-128	125.2	158.4	-176	0	0	0	0	106.3	F851	V849-F851 HydrophobicContact CB-CD2 4.47Å; V849-F851 HydrophobicContact CG1-CD2 3.86Å; V849-F851 HydrophobicContact CG1-CE2 3.6Å; V849-F851 PolarHBondContact O-N 2.77Å
850	R	42.8	Very low	40.6	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.936	71%	0.711	S	S	*	*			trans	-65.2	112.9	175.5	-75.8	179.6	179.9	174.4	-0.9	108.2
851	F	36	Very low	41.8	Very low	185 Å²	185	142.3 Å²	142.3	81%	0.811	71%	0.71	S	S	*	*			trans	-128.3	127.1	158	-82.6	-80.1	0	0	0	107.6	V849	V849-F851 HydrophobicContact CB-CD2 4.47Å; V849-F851 HydrophobicContact CG1-CD2 3.86Å; V849-F851 HydrophobicContact CG1-CE2 3.6Å; V849-F851 PolarHBondContact O-N 2.77Å
852	D	43.4	Very low	43	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	70%	0.696	S	S	*	*			trans	-96.8	84.1	-176	-150.6	11	0	0	0	106.3
853	D	45.3	Very low	44.1	Very low	128 Å²	128	135.8 Å²	135.8	68%	0.684	68%	0.676	S	S	*	*			trans	-162.8	116	163.9	-108.7	-27.3	0	0	0	110.7	C855	D853-C855 PolarHBondContact O-N 2.83Å
854	S	48.5	Very low	45.2	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	67%	0.668	S	S	*	*	H	α-helix	trans	-70.5	-12.7	-172.4	53.7	0	0	0	0	114.1
855	C	46.5	Very low	46.4	Very low	77 Å²	77	132.1 Å²	132.1	52%	0.52	65%	0.654	S	S	.	*	H	α-helix	trans	-83.7	-30.3	-174.7	-166.2	0	0	0	0	113.9	D853	D853-C855 PolarHBondContact O-N 2.83Å
856	E	48.6	Very low	47.6	Very low	133 Å²	133	133.8 Å²	133.8	62%	0.621	65%	0.651	S	S	*	*	H	α-helix	trans	-79.5	-32.7	-178.8	-76.5	-163.3	148.8	0	0	113.4	L858 K859 I860	E856-L858 VanDerWaalsContact C-N 3.29Å; E856-L858 PolarHBondContact O-N 3.28Å; E856-K859 PolarHBondContact O-N 2.75Å; E856-I860 WeakPolarHBondContact O-CG1 3.4Å; E856-I860 PolarHBondContact O-N 3.33Å
857	K	46.9	Very low	48.8	Very low	164 Å²	164	127 Å²	127	71%	0.713	62%	0.621	S	S	*	*	H	α-helix	trans	-61.5	-37.4	178.3	-122.3	177.7	-177.7	177	0	112.5	M861	K857-M861 WeakPolarHBondContact O-CG 3.38Å; K857-M861 PolarHBondContact O-N 3.04Å
858	L	50.8	Low	50.2	Low	129 Å²	129	122 Å²	122	68%	0.675	61%	0.609	S	S	*	*	H	α-helix	trans	-69.1	-36.9	177.3	-82.7	155.8	0	0	0	112.4	E856 D862	E856-L858 VanDerWaalsContact C-N 3.29Å; E856-L858 PolarHBondContact O-N 3.28Å; L858-D862 WeakPolarHBondContact O-CB 3.35Å; L858-D862 PolarHBondContact O-N 3.3Å; L858-D862 VanDerWaalsContact O-N 3.14Å
859	K	52.1	Low	51.8	Low	145 Å²	145	113.2 Å²	113.2	63%	0.63	59%	0.586	S	S	*	*	H	α-helix	trans	-68.9	-37.7	178	-71	179.8	-179.1	175.5	0	112.8	E856 A863	E856-K859 PolarHBondContact O-N 2.75Å; K859-A863 WeakPolarHBondContact O-CB 3.37Å; K859-A863 PolarHBondContact O-N 3.32Å; K859-A863 VanDerWaalsContact O-N 3.11Å
860	I	51.3	Low	53.1	Low	107 Å²	107	109.1 Å²	109.1	55%	0.549	56%	0.561	S	S	.	*	H	α-helix	trans	-71.4	-39.3	179.4	-63.7	168.6	0	0	0	110.9	E856 A863 T864	E856-I860 WeakPolarHBondContact O-CG1 3.4Å; E856-I860 PolarHBondContact O-N 3.33Å; I860-A863 PolarHBondContact O-N 3.06Å; I860-T864 PolarHBondContact O-N 3.47Å; I860-T864 VanDerWaalsContact O-N 3.07Å; I860-T864 PolarHBondContact O-OG1 3.11Å
861	M	52.6	Low	54.2	Low	137 Å²	137	99.7 Å²	99.7	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-41	176	-73.7	-179.7	65.7	0	0	112.4	K857 T864 A865	K857-M861 WeakPolarHBondContact O-CG 3.38Å; K857-M861 PolarHBondContact O-N 3.04Å; M861-T864 PolarHBondContact O-N 3.32Å; M861-A865 WeakPolarHBondContact O-CB 3.06Å; M861-A865 PolarHBondContact O-N 3.05Å
862	D	54.7	Low	55.8	Low	81 Å²	81	100 Å²	100	43%	0.433	52%	0.524	S	S	.	.	H	α-helix	trans	-67.8	-36.3	178	-166.4	40.1	0	0	0	112.5	L858 K866	L858-D862 WeakPolarHBondContact O-CB 3.35Å; L858-D862 PolarHBondContact O-N 3.3Å; L858-D862 VanDerWaalsContact O-N 3.14Å; D862-K866 WeakPolarHBondContact O-CB 3.41Å; D862-K866 WeakPolarHBondContact O-CG 3.18Å; D862-K866 PolarHBondContact O-N 2.64Å; D862-K866 IonicContact OD1-NZ 3.56Å; D862-K866 IonicContact OD2-NZ 2.59Å; D862-K866 PolarHBondContact OD2-NZ 3.32Å
863	A	55.2	Low	56.8	Low	39 Å²	39	96.4 Å²	96.4	32%	0.322	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-40.6	174.1	0	0	0	0	0	112.5	K859 I860 K866 Q867	K859-A863 WeakPolarHBondContact O-CB 3.37Å; K859-A863 PolarHBondContact O-N 3.32Å; K859-A863 VanDerWaalsContact O-N 3.11Å; I860-A863 PolarHBondContact O-N 3.06Å; A863-K866 PolarHBondContact O-N 3.02Å; A863-Q867 WeakPolarHBondContact O-CB 3.13Å; A863-Q867 PolarHBondContact O-N 3.37Å
864	T	56.1	Low	57.6	Low	68 Å²	68	90.9 Å²	90.9	42%	0.417	47%	0.472	S	S	.	.	H	α-helix	trans	-69.5	-37.5	178.9	-44.9	0	0	0	0	111.2	I860 M861 Q867 N868	I860-T864 PolarHBondContact O-N 3.47Å; I860-T864 VanDerWaalsContact O-N 3.07Å; I860-T864 PolarHBondContact O-OG1 3.11Å; M861-T864 PolarHBondContact O-N 3.32Å; T864-Q867 PolarHBondContact O-N 3.12Å; T864-N868 VanDerWaalsContact O-CG 3.28Å; T864-N868 PolarHBondContact O-N 3.32Å; T864-N868 VanDerWaalsContact O-N 3.09Å; T864-N868 PolarHBondContact O-ND2 3.22Å
865	A	63.3	Low	58.6	Low	59 Å²	59	92.7 Å²	92.7	49%	0.488	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174.9	0	0	0	0	0	112.4	M861 N868 S869	M861-A865 WeakPolarHBondContact O-CB 3.06Å; M861-A865 PolarHBondContact O-N 3.05Å; A865-N868 PolarHBondContact O-N 3.22Å; A865-S869 PolarHBondContact O-N 3.35Å; A865-S869 VanDerWaalsContact O-N 3.08Å
866	K	60.9	Low	59.6	Low	120 Å²	120	93 Å²	93	52%	0.522	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-37.2	175.7	-76.4	169.3	178.2	159	0	112.8	D862 A863 S869 L870	D862-K866 WeakPolarHBondContact O-CB 3.41Å; D862-K866 WeakPolarHBondContact O-CG 3.18Å; D862-K866 PolarHBondContact O-N 2.64Å; D862-K866 IonicContact OD1-NZ 3.56Å; D862-K866 IonicContact OD2-NZ 2.59Å; D862-K866 PolarHBondContact OD2-NZ 3.32Å; A863-K866 PolarHBondContact O-N 3.02Å; K866-S869 PolarHBondContact O-N 3.49Å; K866-L870 PolarHBondContact O-N 3.08Å
867	Q	60.8	Low	60.2	Low	40 Å²	40	89 Å²	89	19%	0.187	45%	0.448	C	S	.	.	H	α-helix	trans	-65	-42.3	175	-177.9	174.1	-22	0	0	111.9	A863 T864 S869 L870 L871	A863-Q867 WeakPolarHBondContact O-CB 3.13Å; A863-Q867 PolarHBondContact O-N 3.37Å; T864-Q867 PolarHBondContact O-N 3.12Å; Q867-S869 VanDerWaalsContact C-N 3.33Å; Q867-S869 PolarHBondContact O-N 3.32Å; Q867-L870 PolarHBondContact O-N 3.38Å; Q867-L871 HydrophobicContact CG-CD1 4.37Å; Q867-L871 PolarHBondContact O-N 3.03Å; Q867-L871 VanDerWaalsContact O-N 3.12Å
868	N	65.8	Low	60.7	Low	80 Å²	80	86.7 Å²	86.7	43%	0.428	44%	0.439	S	S	.	.	H	α-helix	trans	-68.8	-30.6	178.4	-70.5	-18.1	0	0	0	112.8	T864 A865 R872	T864-N868 VanDerWaalsContact O-CG 3.28Å; T864-N868 PolarHBondContact O-N 3.32Å; T864-N868 VanDerWaalsContact O-N 3.09Å; T864-N868 PolarHBondContact O-ND2 3.22Å; A865-N868 PolarHBondContact O-N 3.22Å; N868-R872 PolarHBondContact O-N 2.92Å
869	S	69.2	Low	61.4	Low	68 Å²	68	83.3 Å²	83.3	48%	0.476	43%	0.426	S	S	.	.	H	α-helix	trans	-65.8	-43	172.5	-171.7	0	0	0	0	112.3	A865 K866 Q867 R872 E873	A865-S869 PolarHBondContact O-N 3.35Å; A865-S869 VanDerWaalsContact O-N 3.08Å; K866-S869 PolarHBondContact O-N 3.49Å; Q867-S869 VanDerWaalsContact C-N 3.33Å; Q867-S869 PolarHBondContact O-N 3.32Å; S869-R872 PolarHBondContact O-N 3.09Å; S869-E873 PolarHBondContact O-N 2.85Å
870	L	63.7	Low	61.7	Low	16 Å²	16	82 Å²	82	8%	0.084	42%	0.42	C	S	.	.	H	α-helix	trans	-68.4	-37.5	-179.2	-158.5	77.8	0	0	0	111.8	K866 Q867 R872 E873 I874 L905	K866-L870 PolarHBondContact O-N 3.08Å; Q867-L870 PolarHBondContact O-N 3.38Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 2.83Å; L870-E873 PolarHBondContact O-N 3.09Å; L870-I874 WeakPolarHBondContact O-CG1 3.29Å; L870-I874 PolarHBondContact O-N 3.33Å; L870-I874 VanDerWaalsContact O-N 3.11Å; L870-L905 HydrophobicContact CD2-CB 3.9Å; L870-L905 HydrophobicContact CD2-CD1 4.08Å; L870-L905 HydrophobicContact CD2-CG 4.06Å
871	L	65.7	Low	62.1	Low	50 Å²	50	79.2 Å²	79.2	26%	0.262	41%	0.406	S	S	.	.	H	α-helix	trans	-60.3	-42.9	174.5	-80.2	164	0	0	0	111.9	I839 Q867 I874 E875 L905	I839-L871 HydrophobicContact CD1-CD2 3.99Å; Q867-L871 HydrophobicContact CG-CD1 4.37Å; Q867-L871 PolarHBondContact O-N 3.03Å; Q867-L871 VanDerWaalsContact O-N 3.12Å; L871-I874 PolarHBondContact O-N 2.54Å; L871-E875 PolarHBondContact O-N 3.11Å; L871-L905 HydrophobicContact CD2-CD1 3.85Å; L871-L905 HydrophobicContact CG-CD1 4.07Å
872	R	71.3	Confident	62.3	Low	191 Å²	191	81.6 Å²	81.6	72%	0.721	41%	0.412	S	S	*	.	H	α-helix	trans	-64.4	-39.1	176.6	-74.9	-178.7	-174.6	168.3	1.8	112.9	N868 S869 L870 I874 E875 D876	N868-R872 PolarHBondContact O-N 2.92Å; S869-R872 PolarHBondContact O-N 3.09Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 2.83Å; R872-I874 VanDerWaalsContact C-N 3.35Å; R872-E875 PolarHBondContact O-N 3.45Å; R872-D876 WeakPolarHBondContact O-CB 3.36Å; R872-D876 PolarHBondContact O-N 2.7Å
873	E	64.4	Low	62.4	Low	89 Å²	89	85.3 Å²	85.3	42%	0.416	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-35.9	176.3	-79.6	-175.8	175.8	0	0	113	S869 L870 E875 L877 K901	S869-E873 PolarHBondContact O-N 2.85Å; L870-E873 PolarHBondContact O-N 3.09Å; E873-E875 VanDerWaalsContact C-N 3.35Å; E873-L877 WeakPolarHBondContact O-CG 3.25Å; E873-L877 PolarHBondContact O-N 3.34Å; E873-K901 IonicContact OE2-NZ 3.09Å; E873-K901 PolarHBondContact OE2-NZ 3.29Å
874	I	61.5	Low	62.2	Low	12 Å²	12	90.9 Å²	90.9	6%	0.062	45%	0.446	C	S	.	.	H	α-helix	trans	-67	-39.7	174.8	-71.1	164.4	0	0	0	110.5	L870 L871 R872 L877 K878 K901 L905	L870-I874 WeakPolarHBondContact O-CG1 3.29Å; L870-I874 PolarHBondContact O-N 3.33Å; L870-I874 VanDerWaalsContact O-N 3.11Å; L871-I874 PolarHBondContact O-N 2.54Å; R872-I874 VanDerWaalsContact C-N 3.35Å; I874-L877 PolarHBondContact O-N 3.4Å; I874-K878 HydrophobicContact CG2-CD 4.35Å; I874-K878 WeakPolarHBondContact O-CB 3.36Å; I874-K878 WeakPolarHBondContact O-CG 3.38Å; I874-K878 PolarHBondContact O-N 3.4Å; I874-K901 HydrophobicContact CD1-CB 4.38Å; I874-K901 HydrophobicContact CG1-CB 4.12Å; I874-L905 HydrophobicContact CD1-CD1 3.54Å
875	E	68.7	Low	61.8	Low	141 Å²	141	94 Å²	94	66%	0.659	46%	0.46	S	S	*	.	H	α-helix	trans	-66.2	-40.5	177.1	-128.3	165.9	-170.5	0	0	112.1	L871 R872 E873 K878 S879	L871-E875 PolarHBondContact O-N 3.11Å; R872-E875 PolarHBondContact O-N 3.45Å; E873-E875 VanDerWaalsContact C-N 3.35Å; E875-K878 PolarHBondContact O-N 2.86Å; E875-S879 PolarHBondContact O-N 3.34Å
876	D	69.1	Low	61.1	Low	83 Å²	83	97.2 Å²	97.2	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-40.1	175.8	-166.1	56.3	0	0	0	112.2	R872 S879 K880	R872-D876 WeakPolarHBondContact O-CB 3.36Å; R872-D876 PolarHBondContact O-N 2.7Å; D876-S879 PolarHBondContact O-N 3.18Å; D876-K880 WeakPolarHBondContact O-CG 3.47Å; D876-K880 PolarHBondContact O-N 3.4Å; D876-K880 WeakPolarHBondContact OD2-CE 3.23Å; D876-K880 IonicContact OD2-NZ 2.81Å; D876-K880 PolarHBondContact OD2-NZ 3.32Å
877	L	59.3	Low	60.8	Low	49 Å²	49	96 Å²	96	26%	0.257	48%	0.478	S	S	.	.	H	α-helix	trans	-65.6	-41.4	173.3	-78.4	165.3	0	0	0	112.3	E873 I874 S879 K880 I881 L898 K901	E873-L877 WeakPolarHBondContact O-CG 3.25Å; E873-L877 PolarHBondContact O-N 3.34Å; I874-L877 PolarHBondContact O-N 3.4Å; L877-S879 VanDerWaalsContact C-N 3.28Å; L877-S879 PolarHBondContact O-N 3.1Å; L877-K880 PolarHBondContact O-N 3.36Å; L877-I881 VanDerWaalsContact O-CG1 3.31Å; L877-I881 WeakPolarHBondContact O-CG1 3.44Å; L877-I881 PolarHBondContact O-N 3.19Å; L877-L898 HydrophobicContact CB-CD1 3.93Å; L877-K901 HydrophobicContact CD1-CD 3.91Å
878	K	57.5	Low	60	Low	117 Å²	117	102.5 Å²	102.5	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-37.9	173.6	-77.7	179	178.7	-178.6	0	111.8	I874 E875 K882 L898	I874-K878 HydrophobicContact CG2-CD 4.35Å; I874-K878 WeakPolarHBondContact O-CB 3.36Å; I874-K878 WeakPolarHBondContact O-CG 3.38Å; I874-K878 PolarHBondContact O-N 3.4Å; E875-K878 PolarHBondContact O-N 2.86Å; K878-K882 PolarHBondContact O-N 3.04Å; K878-L898 HydrophobicContact CG-CD1 4.09Å; K878-L898 HydrophobicContact CG-CD2 4.49Å
879	S	66	Low	59.4	Low	58 Å²	58	106.1 Å²	106.1	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-67.7	-43.9	176.4	-160.1	0	0	0	0	111.8	E875 D876 L877 I881 K882 E883	E875-S879 PolarHBondContact O-N 3.34Å; D876-S879 PolarHBondContact O-N 3.18Å; L877-S879 VanDerWaalsContact C-N 3.28Å; L877-S879 PolarHBondContact O-N 3.1Å; S879-I881 VanDerWaalsContact C-N 3.33Å; S879-I881 PolarHBondContact O-N 2.86Å; S879-K882 WeakPolarHBondContact O-CB 3.36Å; S879-K882 PolarHBondContact O-N 2.85Å; S879-E883 PolarHBondContact O-N 3.1Å
880	K	59.3	Low	58.7	Low	116 Å²	116	104.4 Å²	104.4	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-35.7	176.8	-76.5	167.9	176.2	155.9	0	113.4	D876 L877 K882	D876-K880 WeakPolarHBondContact O-CG 3.47Å; D876-K880 PolarHBondContact O-N 3.4Å; D876-K880 WeakPolarHBondContact OD2-CE 3.23Å; D876-K880 IonicContact OD2-NZ 2.81Å; D876-K880 PolarHBondContact OD2-NZ 3.32Å; L877-K880 PolarHBondContact O-N 3.36Å; K880-K882 VanDerWaalsContact C-N 3.27Å; K880-K882 PolarHBondContact O-N 3.41Å
881	I	58.8	Low	58.3	Low	49 Å²	49	107.3 Å²	107.3	25%	0.251	53%	0.525	S	S	.	.	H	α-helix	trans	-66.6	-29.9	174.4	-69.9	166.1	0	0	0	111.7	L877 S879 E883 Q894 L898	L877-I881 VanDerWaalsContact O-CG1 3.31Å; L877-I881 WeakPolarHBondContact O-CG1 3.44Å; L877-I881 PolarHBondContact O-N 3.19Å; S879-I881 VanDerWaalsContact C-N 3.33Å; S879-I881 PolarHBondContact O-N 2.86Å; I881-E883 VanDerWaalsContact C-N 3.34Å; I881-Q894 HydrophobicContact CD1-CB 4.4Å; I881-Q894 HydrophobicContact CG1-CB 4.31Å; I881-L898 HydrophobicContact CD1-CD1 3.84Å
882	K	56.8	Low	57.8	Low	187 Å²	187	113.6 Å²	113.6	81%	0.813	55%	0.546	S	S	*	.	H	α-helix	trans	-79.4	-16.3	-175.7	-154	176.2	-178.2	-177.7	0	113.4	K878 S879 K880	K878-K882 PolarHBondContact O-N 3.04Å; S879-K882 WeakPolarHBondContact O-CB 3.36Å; S879-K882 PolarHBondContact O-N 2.85Å; K880-K882 VanDerWaalsContact C-N 3.27Å; K880-K882 PolarHBondContact O-N 3.41Å
883	E	57.4	Low	57.3	Low	160 Å²	160	109.8 Å²	109.8	75%	0.748	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	7.2	-171.8	-70.8	-174.6	171.5	0	0	115.3	S879 I881	S879-E883 PolarHBondContact O-N 3.1Å; I881-E883 VanDerWaalsContact C-N 3.34Å
884	Q	51.5	Low	57	Low	155 Å²	155	109.2 Å²	109.2	72%	0.724	54%	0.537	S	S	*	.	S	Bend	trans	-134.9	164.1	-174.8	-75	-162.7	-14.5	0	0	118
885	D	46.8	Very low	56.8	Low	133 Å²	133	114.2 Å²	114.2	71%	0.711	56%	0.562	S	S	*	*			trans	-75.2	153.3	-154.8	-141.2	-19.1	0	0	0	116.2	T887	D885-T887 VanDerWaalsContact C-N 3.31Å; D885-T887 PolarHBondContact O-N 3.17Å
886	T	48.5	Very low	56.7	Low	127 Å²	127	110.7 Å²	110.7	78%	0.779	55%	0.552	S	S	*	*			trans	-69.5	38.2	-156.6	55.2	0	0	0	0	118.7
887	T	55.1	Low	56.4	Low	96 Å²	96	111.4 Å²	111.4	59%	0.589	56%	0.556	S	S	*	*			trans	-97.1	123.3	179.5	57.6	0	0	0	0	113.6	D885 E889 G890 H891	D885-T887 VanDerWaalsContact C-N 3.31Å; D885-T887 PolarHBondContact O-N 3.17Å; T887-E889 PolarHBondContact O-N 2.84Å; T887-E889 VanDerWaalsContact O-N 3.14Å; T887-G890 PolarHBondContact O-N 3.43Å; T887-H891 PolarHBondContact O-CD2 2.89Å; T887-H891 PolarHBondContact O-N 2.85Å
888	F	44.3	Very low	56.4	Low	176 Å²	176	111 Å²	111	77%	0.772	55%	0.554	S	S	*	*	H	α-helix	trans	-57.3	-29.5	-171.9	-170.3	-100.6	0	0	0	114.7	R892	F888-R892 PolarHBondContact O-N 2.72Å
889	E	52.1	Low	56.4	Low	156 Å²	156	111.2 Å²	111.2	73%	0.729	56%	0.557	S	S	*	*	H	α-helix	trans	-81.8	-34	-176.3	-132.9	159.2	-164.6	0	0	112.8	T887 R892 N893	T887-E889 PolarHBondContact O-N 2.84Å; T887-E889 VanDerWaalsContact O-N 3.14Å; E889-R892 PolarHBondContact O-N 3.4Å; E889-N893 PolarHBondContact O-N 2.86Å
890	G	55.3	Low	56.6	Low	31 Å²	31	112 Å²	112	32%	0.32	56%	0.562	S	S	.	*	H	α-helix	trans	-66.6	-41.1	174.3	0	0	0	0	0	112.5	T887 R892 Q894	T887-G890 PolarHBondContact O-N 3.43Å; G890-R892 VanDerWaalsContact C-N 3.31Å; G890-R892 PolarHBondContact O-N 3.28Å; G890-Q894 WeakPolarHBondContact O-CB 2.86Å; G890-Q894 WeakPolarHBondContact O-CG 3.27Å; G890-Q894 PolarHBondContact O-N 3.24Å
891	H	55.9	Low	56.8	Low	78 Å²	78	109 Å²	109	36%	0.361	55%	0.549	S	S	.	.	H	α-helix	trans	-63	-34.9	176	-83	-93.9	0	0	0	112.9	T887 M895	T887-H891 PolarHBondContact O-CD2 2.89Å; T887-H891 PolarHBondContact O-N 2.85Å; H891-M895 WeakPolarHBondContact O-CB 3.49Å; H891-M895 WeakPolarHBondContact O-CG 3.47Å; H891-M895 PolarHBondContact O-N 3.25Å
892	R	55.2	Low	56.7	Low	181 Å²	181	110.4 Å²	110.4	68%	0.683	56%	0.557	S	S	*	*	H	α-helix	trans	-73.2	-42.6	-176.5	-163.1	176.5	-177.1	167.8	1	112.7	F888 E889 G890 S896	F888-R892 PolarHBondContact O-N 2.72Å; E889-R892 PolarHBondContact O-N 3.4Å; G890-R892 VanDerWaalsContact C-N 3.31Å; G890-R892 PolarHBondContact O-N 3.28Å; R892-S896 PolarHBondContact O-N 3.02Å; R892-S896 VanDerWaalsContact O-N 3.08Å
893	N	59.4	Low	56.9	Low	112 Å²	112	108.2 Å²	108.2	60%	0.599	55%	0.549	S	S	*	.	H	α-helix	trans	-68.1	-37.7	176.8	-69.8	-19.1	0	0	0	111.4	E889 S896 D897	E889-N893 PolarHBondContact O-N 2.86Å; N893-S896 WeakPolarHBondContact O-CB 2.9Å; N893-S896 PolarHBondContact O-N 3.4Å; N893-D897 PolarHBondContact O-N 3.12Å
894	Q	59.1	Low	57.6	Low	76 Å²	76	104.7 Å²	104.7	36%	0.355	53%	0.533	S	S	.	.	H	α-helix	trans	-73.9	-34.2	178.2	-69.7	177.5	-10.7	0	0	113.2	I881 G890 S896 D897 L898	I881-Q894 HydrophobicContact CD1-CB 4.4Å; I881-Q894 HydrophobicContact CG1-CB 4.31Å; G890-Q894 WeakPolarHBondContact O-CB 2.86Å; G890-Q894 WeakPolarHBondContact O-CG 3.27Å; G890-Q894 PolarHBondContact O-N 3.24Å; Q894-S896 VanDerWaalsContact C-N 3.33Å; Q894-D897 PolarHBondContact O-N 2.9Å; Q894-L898 PolarHBondContact O-N 3.07Å
895	M	55.9	Low	57.9	Low	118 Å²	118	97.8 Å²	97.8	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-63.4	-40.2	169.3	-81.4	-123.4	-73.8	0	0	111.4	H891 D897 L898 E899	H891-M895 WeakPolarHBondContact O-CB 3.49Å; H891-M895 WeakPolarHBondContact O-CG 3.47Å; H891-M895 PolarHBondContact O-N 3.25Å; M895-D897 PolarHBondContact O-N 3.07Å; M895-L898 PolarHBondContact O-N 3.34Å; M895-E899 WeakPolarHBondContact O-CB 3.34Å; M895-E899 WeakPolarHBondContact O-CG 3.49Å; M895-E899 PolarHBondContact O-N 3.45Å
896	S	66.5	Low	58.3	Low	66 Å²	66	95.1 Å²	95.1	46%	0.462	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-40.6	175.7	-171.5	0	0	0	0	112.6	R892 N893 Q894 S900	R892-S896 PolarHBondContact O-N 3.02Å; R892-S896 VanDerWaalsContact O-N 3.08Å; N893-S896 WeakPolarHBondContact O-CB 2.9Å; N893-S896 PolarHBondContact O-N 3.4Å; Q894-S896 VanDerWaalsContact C-N 3.33Å; S896-S900 WeakPolarHBondContact O-CB 3.33Å; S896-S900 PolarHBondContact O-N 3.31Å
897	D	63.4	Low	59.1	Low	99 Å²	99	91.8 Å²	91.8	53%	0.529	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-37	175.5	-87.1	-4.6	0	0	0	112	N893 Q894 M895 K901	N893-D897 PolarHBondContact O-N 3.12Å; Q894-D897 PolarHBondContact O-N 2.9Å; M895-D897 PolarHBondContact O-N 3.07Å; D897-K901 PolarHBondContact O-N 2.96Å; D897-K901 VanDerWaalsContact O-N 3.1Å
898	L	59.4	Low	59.3	Low	40 Å²	40	91.6 Å²	91.6	21%	0.209	46%	0.461	C	S	.	.	H	α-helix	trans	-67.7	-42.7	176.8	-148.7	103.4	0	0	0	111.8	L877 K878 I881 Q894 M895 K901 L902	L877-L898 HydrophobicContact CB-CD1 3.93Å; K878-L898 HydrophobicContact CG-CD1 4.09Å; K878-L898 HydrophobicContact CG-CD2 4.49Å; I881-L898 HydrophobicContact CD1-CD1 3.84Å; Q894-L898 PolarHBondContact O-N 3.07Å; M895-L898 PolarHBondContact O-N 3.34Å; L898-K901 PolarHBondContact O-N 2.91Å; L898-L902 WeakPolarHBondContact O-CB 2.68Å; L898-L902 PolarHBondContact O-N 3.13Å
899	E	57.7	Low	59.7	Low	122 Å²	122	85.1 Å²	85.1	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-62.4	-42.5	176.1	-76.1	177	172.4	0	0	111.6	M895 L902 Q903	M895-E899 WeakPolarHBondContact O-CB 3.34Å; M895-E899 WeakPolarHBondContact O-CG 3.49Å; M895-E899 PolarHBondContact O-N 3.45Å; E899-L902 PolarHBondContact O-N 2.97Å; E899-Q903 PolarHBondContact O-N 3.41Å
900	S	69.9	Low	59.5	Low	74 Å²	74	80.6 Å²	80.6	52%	0.517	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-46.2	176.5	-175.1	0	0	0	0	112.1	S896 L902 Q903 E904	S896-S900 WeakPolarHBondContact O-CB 3.33Å; S896-S900 PolarHBondContact O-N 3.31Å; S900-L902 VanDerWaalsContact C-N 3.34Å; S900-L902 PolarHBondContact O-N 3.34Å; S900-Q903 PolarHBondContact O-N 2.79Å; S900-E904 PolarHBondContact O-N 3.18Å; S900-E904 VanDerWaalsContact O-N 3.1Å
901	K	63.3	Low	59.4	Low	54 Å²	54	87 Å²	87	24%	0.235	44%	0.438	C	S	.	.	H	α-helix	trans	-67.8	-32.1	176.6	-75.7	-159.2	177.6	-171.7	0	113.3	E873 I874 L877 D897 L898 E904 L905	E873-K901 IonicContact OE2-NZ 3.09Å; E873-K901 PolarHBondContact OE2-NZ 3.29Å; I874-K901 HydrophobicContact CD1-CB 4.38Å; I874-K901 HydrophobicContact CG1-CB 4.12Å; L877-K901 HydrophobicContact CD1-CD 3.91Å; D897-K901 PolarHBondContact O-N 2.96Å; D897-K901 VanDerWaalsContact O-N 3.1Å; L898-K901 PolarHBondContact O-N 2.91Å; K901-E904 PolarHBondContact O-N 3.08Å; K901-L905 PolarHBondContact O-N 2.96Å
902	L	57.1	Low	59.1	Low	78 Å²	78	86.8 Å²	86.8	41%	0.408	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-43	174.8	-161.3	86.2	0	0	0	111.1	L898 E899 S900 E904 L905 Q906	L898-L902 WeakPolarHBondContact O-CB 2.68Å; L898-L902 PolarHBondContact O-N 3.13Å; E899-L902 PolarHBondContact O-N 2.97Å; S900-L902 VanDerWaalsContact C-N 3.34Å; S900-L902 PolarHBondContact O-N 3.34Å; L902-E904 VanDerWaalsContact C-N 3.35Å; L902-E904 PolarHBondContact O-N 3Å; L902-L905 PolarHBondContact O-N 3.32Å; L902-Q906 WeakPolarHBondContact O-CG 3.43Å; L902-Q906 PolarHBondContact O-N 2.77Å
903	Q	61.8	Low	58.7	Low	140 Å²	140	87.1 Å²	87.1	65%	0.654	44%	0.44	S	S	*	.	H	α-helix	trans	-61.8	-40.7	174.6	-83.1	-172.8	-11.5	0	0	112.4	E899 S900 L905 Q906 A907	E899-Q903 PolarHBondContact O-N 3.41Å; S900-Q903 PolarHBondContact O-N 2.79Å; Q903-L905 VanDerWaalsContact C-N 3.28Å; Q903-L905 PolarHBondContact O-N 3.01Å; Q903-Q906 PolarHBondContact O-N 2.95Å; Q903-A907 WeakPolarHBondContact O-CB 3.48Å; Q903-A907 PolarHBondContact O-N 3.03Å
904	E	71.6	Confident	58	Low	86 Å²	86	90.5 Å²	90.5	40%	0.402	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-39.6	176.2	-162.7	-166.1	150.2	0	0	111.7	S900 K901 L902 K908	S900-E904 PolarHBondContact O-N 3.18Å; S900-E904 VanDerWaalsContact O-N 3.1Å; K901-E904 PolarHBondContact O-N 3.08Å; L902-E904 VanDerWaalsContact C-N 3.35Å; L902-E904 PolarHBondContact O-N 3Å; E904-K908 WeakPolarHBondContact O-CG 3.49Å; E904-K908 PolarHBondContact O-N 3.15Å; E904-K908 VanDerWaalsContact O-N 3.1Å; E904-K908 WeakPolarHBondContact OE1-CE 3.43Å; E904-K908 IonicContact OE1-NZ 3.2Å; E904-K908 PolarHBondContact OE1-NZ 2.98Å
905	L	57.6	Low	57.2	Low	11 Å²	11	91.4 Å²	91.4	6%	0.058	46%	0.464	C	S	.	.	H	α-helix	trans	-69.1	-43.2	179.1	-157.1	153.1	0	0	0	111.6	L870 L871 I874 K901 L902 Q903 K908 Q909	L870-L905 HydrophobicContact CD2-CB 3.9Å; L870-L905 HydrophobicContact CD2-CD1 4.08Å; L870-L905 HydrophobicContact CD2-CG 4.06Å; L871-L905 HydrophobicContact CD2-CD1 3.85Å; L871-L905 HydrophobicContact CG-CD1 4.07Å; I874-L905 HydrophobicContact CD1-CD1 3.54Å; K901-L905 PolarHBondContact O-N 2.96Å; L902-L905 PolarHBondContact O-N 3.32Å; Q903-L905 VanDerWaalsContact C-N 3.28Å; Q903-L905 PolarHBondContact O-N 3.01Å; L905-K908 PolarHBondContact O-N 3Å; L905-Q909 HydrophobicContact CD2-CG 4.24Å; L905-Q909 PolarHBondContact O-N 2.98Å
906	Q	56.1	Low	56.2	Low	77 Å²	77	91.8 Å²	91.8	36%	0.36	47%	0.465	S	S	.	.	H	α-helix	trans	-65	-40.5	176.3	-72.8	178.1	-22.6	0	0	112.1	E838 L902 Q903 K908 Q909 S910	E838-Q906 PolarHBondContact OE2-NE2 2.99Å; L902-Q906 WeakPolarHBondContact O-CG 3.43Å; L902-Q906 PolarHBondContact O-N 2.77Å; Q903-Q906 PolarHBondContact O-N 2.95Å; Q906-K908 PolarHBondContact O-N 3.19Å; Q906-Q909 PolarHBondContact O-N 2.71Å; Q906-S910 PolarHBondContact O-N 2.95Å
907	A	64.3	Low	54.6	Low	57 Å²	57	94 Å²	94	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-44	174.5	0	0	0	0	0	111.5	Q903 S910 F911	Q903-A907 WeakPolarHBondContact O-CB 3.48Å; Q903-A907 PolarHBondContact O-N 3.03Å; A907-S910 PolarHBondContact O-N 3.12Å; A907-S910 PolarHBondContact O-OG 3.24Å; A907-F911 PolarHBondContact O-N 3.07Å; A907-F911 VanDerWaalsContact O-N 3.1Å
908	K	58.8	Low	53.1	Low	91 Å²	91	95.1 Å²	95.1	40%	0.396	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-40.2	175.5	-79.8	172.1	173.4	164.1	0	112.7	E904 L905 Q906 F911 L912	E904-K908 WeakPolarHBondContact O-CG 3.49Å; E904-K908 PolarHBondContact O-N 3.15Å; E904-K908 VanDerWaalsContact O-N 3.1Å; E904-K908 WeakPolarHBondContact OE1-CE 3.43Å; E904-K908 IonicContact OE1-NZ 3.2Å; E904-K908 PolarHBondContact OE1-NZ 2.98Å; L905-K908 PolarHBondContact O-N 3Å; Q906-K908 PolarHBondContact O-N 3.19Å; K908-F911 PolarHBondContact O-N 3.18Å; K908-L912 PolarHBondContact O-N 3.25Å
909	Q	52.7	Low	51.8	Low	41 Å²	41	99.1 Å²	99.1	19%	0.192	52%	0.518	C	S	.	.	H	α-helix	trans	-65.6	-38.2	174.3	-77.9	-173.4	-5.2	0	0	112.7	L905 Q906 F911 L912 R913	L905-Q909 HydrophobicContact CD2-CG 4.24Å; L905-Q909 PolarHBondContact O-N 2.98Å; Q906-Q909 PolarHBondContact O-N 2.71Å; Q909-F911 VanDerWaalsContact C-N 3.32Å; Q909-F911 PolarHBondContact O-N 3.1Å; Q909-L912 PolarHBondContact O-N 3.33Å; Q909-R913 PolarHBondContact O-N 2.81Å; Q909-R913 VanDerWaalsContact O-N 3.09Å
910	S	48.7	Very low	50.4	Low	61 Å²	61	97.8 Å²	97.8	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-65.6	-35	177.1	80.4	0	0	0	0	112.6	Q906 A907 R913 K914	Q906-S910 PolarHBondContact O-N 2.95Å; A907-S910 PolarHBondContact O-N 3.12Å; A907-S910 PolarHBondContact O-OG 3.24Å; S910-R913 PolarHBondContact O-N 2.99Å; S910-K914 PolarHBondContact O-N 3.49Å
911	F	54	Low	48.3	Very low	164 Å²	164	105.8 Å²	105.8	72%	0.719	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-41.2	174.5	-177.1	-97.4	0	0	0	111.6	A907 K908 Q909 R913 K914	A907-F911 PolarHBondContact O-N 3.07Å; A907-F911 VanDerWaalsContact O-N 3.1Å; K908-F911 PolarHBondContact O-N 3.18Å; Q909-F911 VanDerWaalsContact C-N 3.32Å; Q909-F911 PolarHBondContact O-N 3.1Å; F911-R913 VanDerWaalsContact C-N 3.3Å; F911-R913 PolarHBondContact O-N 3.02Å; F911-K914 PolarHBondContact O-N 2.65Å
912	L	48	Very low	46.6	Very low	75 Å²	75	109.8 Å²	109.8	39%	0.393	57%	0.573	S	S	.	*	H	α-helix	trans	-67.8	-25.3	175.7	-71.1	167.5	0	0	0	113.5	K908 Q909 S915	K908-L912 PolarHBondContact O-N 3.25Å; Q909-L912 PolarHBondContact O-N 3.33Å; L912-S915 PolarHBondContact O-OG 2.99Å
913	R	46.6	Very low	45.4	Very low	188 Å²	188	117.2 Å²	117.2	71%	0.709	60%	0.596	S	S	*	*	H	α-helix	trans	-80.3	-20.2	176	-77.7	-174.7	178.4	-179.2	2.7	114.4	Q909 S910 F911 S915	Q909-R913 PolarHBondContact O-N 2.81Å; Q909-R913 VanDerWaalsContact O-N 3.09Å; S910-R913 PolarHBondContact O-N 2.99Å; F911-R913 VanDerWaalsContact C-N 3.3Å; F911-R913 PolarHBondContact O-N 3.02Å; R913-S915 PolarHBondContact O-N 3.33Å
914	K	44.7	Very low	43.9	Very low	183 Å²	183	120.8 Å²	120.8	80%	0.796	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-4.4	-178.2	-81	-179	178.3	177.7	0	114.4	S910 F911	S910-K914 PolarHBondContact O-N 3.49Å; F911-K914 PolarHBondContact O-N 2.65Å
915	S	44.3	Very low	41.9	Very low	95 Å²	95	124.1 Å²	124.1	66%	0.664	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	8.5	-178.4	52.1	0	0	0	0	115.2	L912 R913	L912-S915 PolarHBondContact O-OG 2.99Å; R913-S915 PolarHBondContact O-N 3.33Å
916	E	34.1	Very low	40.4	Very low	126 Å²	126	130.6 Å²	130.6	59%	0.589	66%	0.663	S	S	*	*			trans	-117.7	123.7	175.8	-73.8	-175.9	174.1	0	0	112.1	R847	R847-E916 IonicContact CZ-OE1 2.95Å; R847-E916 IonicContact NH2-OE1 2.71Å; R847-E916 PolarHBondContact NH2-OE1 3.21Å
917	P	33.8	Very low	38.9	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-75.7	148.7	169.6	30.1	-30.5	0	0	0	110.9
918	P	31.1	Very low	37.1	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-69.2	139.3	179.7	27.7	-32.4	0	0	0	111	A920	P918-A920 PolarHBondContact O-N 3.03Å
919	P	30.9	Very low	35.8	Very low	124 Å²	124	142.6 Å²	142.6	81%	0.805	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-70	122	178.5	25.5	-30.1	0	0	0	111.1
920	A	28.4	Very low	34.6	Very low	95 Å²	95	150.4 Å²	150.4	79%	0.785	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-66.8	134.3	166.5	0	0	0	0	0	110.3	P918 D922	P918-A920 PolarHBondContact O-N 3.03Å; A920-D922 PolarHBondContact O-N 2.92Å; A920-D922 VanDerWaalsContact O-N 3.16Å
921	Y	27	Very low	33.4	Very low	242 Å²	242	154.9 Å²	154.9	95%	0.949	77%	0.769	S	S	*	*			trans	-74.9	98.3	170.8	-91.6	-94.5	0	0	0	109.8
922	D	27	Very low	32.2	Very low	137 Å²	137	155.2 Å²	155.2	73%	0.733	77%	0.771	S	S	*	*			trans	-87.8	118.2	168	-167.1	-2.4	0	0	0	110.1	A920 R924	A920-D922 PolarHBondContact O-N 2.92Å; A920-D922 VanDerWaalsContact O-N 3.16Å; D922-R924 PolarHBondContact O-N 2.9Å
923	R	32.9	Very low	31.3	Very low	235 Å²	235	157.7 Å²	157.7	89%	0.887	79%	0.791	S	S	*	*			trans	-80.7	86	171.4	-79.9	-179.7	170	177.8	-2.5	108.5
924	R	29.3	Very low	30.5	Very low	215 Å²	215	157.1 Å²	157.1	81%	0.811	80%	0.796	S	S	*	*			trans	-172.1	137.1	157.8	-100	152.5	-137	-163	4.1	110.3	D922	D922-R924 PolarHBondContact O-N 2.9Å
925	N	29.2	Very low	29.6	Very low	155 Å²	155	160 Å²	160	83%	0.829	80%	0.803	S	S	*	*			trans	85.8	75.4	174.9	-55.1	-23	0	0	0	117.2
926	V	26.5	Very low	29	Very low	147 Å²	147	163.8 Å²	163.8	89%	0.891	81%	0.809	S	S	*	*			trans	-117.5	122	133.2	179.9	0	0	0	0	107.5	Y928	V926-Y928 PolarHBondContact O-N 3.43Å
927	T	25	Very low	29	Very low	137 Å²	137	164.6 Å²	164.6	84%	0.84	82%	0.818	S	S	*	*			trans	-68.2	119.9	-169.8	-18.6	0	0	0	0	110.9
928	Y	26.6	Very low	28.7	Very low	203 Å²	203	166.5 Å²	166.5	80%	0.796	83%	0.828	S	S	*	*			trans	-69.8	152.6	162.8	-130.6	-105.7	0	0	0	109.9	V926	V926-Y928 PolarHBondContact O-N 3.43Å
929	N	30.5	Very low	28.8	Very low	137 Å²	137	166.1 Å²	166.1	73%	0.733	83%	0.828	S	S	*	*			trans	75.1	99.1	163.3	-64.5	-23.6	0	0	0	119.8
930	K	27.5	Very low	28.8	Very low	206 Å²	206	163.3 Å²	163.3	90%	0.896	81%	0.809	S	S	*	*	S	Bend	trans	-167.2	82.7	133	-104.3	-179.3	-174.2	-178.3	0	108.1
931	L	25.4	Very low	29	Very low	154 Å²	154	163.6 Å²	163.6	81%	0.806	80%	0.8	S	S	*	*	S	Bend	trans	-169.2	2.5	160.7	-104.8	161	0	0	0	115.4
932	F	28.8	Very low	29.2	Very low	172 Å²	172	153.7 Å²	153.7	75%	0.754	77%	0.766	S	S	*	*			trans	-139.3	117.2	172.6	-61.6	-77.2	0	0	0	111.3
933	P	27.1	Very low	29.3	Very low	126 Å²	126	151.6 Å²	151.6	82%	0.818	76%	0.758	S	S	*	*			trans	-75.9	119.5	152.9	26.7	-17.5	0	0	0	108.5
934	E	30	Very low	29.1	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	73%	0.73	S	S	*	*			trans	24.6	119.3	159.4	-61.4	-179.8	177.1	0	0	119.9
935	R	26.2	Very low	29.1	Very low	245 Å²	245	138.3 Å²	138.3	93%	0.925	72%	0.72	S	S	*	*				-168.1	149.9	97.8	-99.6	-180	-176.6	-171.3	1.4	113
936	E	32.6	Very low	29	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	71%	0.714	S	S	*	*			trans	-72.1	155.6	-166.7	-63	170	134.8	0	0	115.3
937	N	33.3	Very low	29.2	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	71%	0.705	S	S	*	*			trans	71.4	98.9	154.6	-65.1	-24.6	0	0	0	119.5
938	T	28.3	Very low	29.4	Very low	153 Å²	153	136.9 Å²	136.9	94%	0.939	70%	0.697	S	S	*	*				178.8	141.5	115.2	31.6	0	0	0	0	111.2
939	S	33.3	Very low	29.6	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	69%	0.692	S	S	*	*			trans	-107.7	113.8	-160.5	51.9	0	0	0	0	114.1
940	T	30.6	Very low	29.5	Very low	66 Å²	66	132.8 Å²	132.8	41%	0.405	69%	0.689	S	S	.	*			trans	-176.9	134.7	145.5	-8.8	0	0	0	0	108.1	P806	P806-T940 WeakPolarHBondContact CG-O 3.46Å
941	T	31.9	Very low	29.7	Very low	100 Å²	100	127.9 Å²	127.9	61%	0.613	68%	0.675	S	S	*	*			trans	-122	107.6	179.4	11.4	0	0	0	0	111.7
942	C	30.6	Very low	30	Very low	35 Å²	35	126.1 Å²	126.1	24%	0.236	67%	0.666	C	S	.	*			trans	-83.7	134.1	158.2	-84.4	0	0	0	0	108.8	L805	L805-C942 HydrophobicContact CD2-CB 3.57Å; L805-C942 WeakPolarHBondContact CD2-SG 3.48Å; L805-C942 HydrophobicContact CG-CB 4.28Å
943	V	30.3	Very low	30.1	Very low	92 Å²	92	122.5 Å²	122.5	56%	0.558	66%	0.659	S	S	*	*			trans	-104.6	111.4	-178.6	-175.7	0	0	0	0	109.3	L945	V943-L945 HydrophobicContact CG1-CD2 4.19Å; V943-L945 HydrophobicContact CG1-CG 4.44Å
944	I	27.9	Very low	30.3	Very low	59 Å²	59	122.3 Å²	122.3	30%	0.303	65%	0.646	S	S	.	*			trans	-83.9	125.5	156.5	-64.6	175.7	0	0	0	105.7	L809	L809-I944 HydrophobicContact CD1-CD1 4.41Å; L809-I944 HydrophobicContact CD2-CB 4.44Å; L809-I944 HydrophobicContact CD2-CD1 3.42Å; L809-I944 VanDerWaalsContact CD2-CD1 3.42Å; L809-I944 HydrophobicContact CD2-CG1 3.74Å; L809-I944 HydrophobicContact CG-CD1 4.33Å
945	L	28.7	Very low	30.3	Very low	112 Å²	112	117.4 Å²	117.4	59%	0.586	63%	0.63	S	S	*	*			trans	-77.1	0	-171.8	-83.3	170.7	0	0	0	113.6	L768 R814 V943	L768-L945 HydrophobicContact CD2-CD1 3.83Å; R814-L945 PolarHBondContact NE-OXT 3.46Å; R814-L945 PolarHBondContact NH2-OXT 3.33Å; V943-L945 HydrophobicContact CG1-CD2 4.19Å; V943-L945 HydrophobicContact CG1-CG 4.44Å

Retrieved 945 of 945 residues in 526.5 ms (Link to these results)

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