A0A077Z7Y0_TRITR Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A077Z7Y0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 901 aa.

						>A0A077Z7Y0_TRITR|A0A077Z7Y0
MGAWWASPWLLLWQLIVGCSFLLCSAMLCDFESPCSWHFEPSTGDNSFRIVSGTEKSGQSGIHRANYVYIRIDAPAGHYAYFGTSKNEETVAKVVSPFYQHTVTHCKLKFHYRLHGMPRTELVVVLESLPDRSNLTRPPMQLKTFPSKAGLVSKYTFNFPIPPSTGLNFRWTEEVVSIGQFPWPMRIRLEAWLNNKRSIAQVDYSADCMIDNINLVDCEEEVYQSDTCLSNRTEKYRCQSNKACIEWDQLCDMSVDCYGGEDEDLSAHNCSKQVFLSTSNCPKSVISGRVPPGGRCNFENGTCGWTSTSDSEFRWRRVNVTHRRRIEKDGDRALAISDHTMRNSSGHFMYIEPGNSEKMLRAFFTSPRFPPMSKSVDDPSSPFFQQCRVRFFFHHFGRDWHSVFLFVVSPHGTVRRKIWEGDKSVTAVADQHGYYWHRVSAIIPYQENDLVAAGASGAKLVKDDVSSARFNGHSGAVVEAAFNLTKGDQLWIAIGQTGQNPCQTATSSRGLNVVPTVGCSDAFLSKQMGSLSPNDVPAGGGGGATFVARLNYTGQYMSELLLVAAGGGGQYASGGPTNDSYGRAATFARSANSGASLFHGPRLISGGGAGVEYLYSRVPLHSSPDGRLFASGPRGGGGGFVGGDGGNFSHGKGGWSFSSAPSAVFRPDQNPRSGYLYIYPCAKQCTQQSVCRFVGRTQVCVCPDGQFLNASDSTCRADEPSSILPSGGKGITSQEKLFIIVIFAFSVVVVACVVAFFIIFRRKCLSRKSDKNGLAVINTADMPLDQLFTRNFHTEFNPNYEFFGNGDYSLKDLKEIPRCCVILTRALGQGAFGEVFEGTLIGLCSDIDGLPVAVKRIVLKNAHSGYAHPQTDFVATWKGKPHSEEAGKKPTSLPLRRFQKA
					

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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	31.7	Very low	32.2	Very low	253 Å²	253	150.1 Å²	150.1	100%	1.246	80%	0.796	S	S	*	*				0	96.1	0	-68	174.9	179.3	0	0	107.3
2	G	30.1	Very low	32.6	Very low	75 Å²	75	146 Å²	146	77%	0.773	77%	0.774	S	S	*	*			trans	-179	128.9	-175.2	0	0	0	0	0	113.4
3	A	29.1	Very low	32.7	Very low	97 Å²	97	149.4 Å²	149.4	80%	0.802	77%	0.77	S	S	*	*			trans	72	86.6	162.5	0	0	0	0	0	118.9
4	W	26.3	Very low	32.9	Very low	250 Å²	250	149.1 Å²	149.1	95%	0.947	76%	0.763	S	S	*	*			trans	-128.1	70.3	153.4	-93.5	71.5	0	0	0	109.3
5	W	26.1	Very low	33.3	Very low	265 Å²	265	147.4 Å²	147.4	100%	1.004	76%	0.755	S	S	*	*			trans	-140.9	75.6	166.9	-80.7	69.1	0	0	0	108.1
6	A	29.1	Very low	33.6	Very low	102 Å²	102	144.3 Å²	144.3	84%	0.843	74%	0.74	S	S	*	*			trans	-98.6	121.4	159.2	0	0	0	0	0	107.3
7	S	36.2	Very low	33.7	Very low	69 Å²	69	139.1 Å²	139.1	48%	0.483	72%	0.716	S	S	.	*			trans	-80	150.4	-160.5	33.5	0	0	0	0	113.8	W9	S7-W9 PolarHBondContact O-N 3.15Å
8	P	37.8	Very low	33.7	Very low	98 Å²	98	133.2 Å²	133.2	64%	0.636	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	4.2	-178.7	26.9	-33.2	0	0	0	114.7
9	W	33.6	Very low	33.7	Very low	201 Å²	201	130.2 Å²	130.2	76%	0.761	69%	0.686	S	S	*	*	H	α-helix	trans	-82	-25.8	-176.7	-71	66.8	0	0	0	113	S7 W13	S7-W9 PolarHBondContact O-N 3.15Å; W9-W13 PolarHBondContact O-N 2.84Å
10	L	36.5	Very low	33.7	Very low	122 Å²	122	127.3 Å²	127.3	64%	0.639	68%	0.677	S	S	*	*	H	α-helix	trans	-74.1	-35.9	177.8	-88.6	152.4	0	0	0	113	W13 Q14	L10-W13 PolarHBondContact O-N 3.03Å; L10-Q14 PolarHBondContact O-N 2.9Å; L10-Q14 VanDerWaalsContact O-N 3.1Å
11	L	38.3	Very low	33.8	Very low	119 Å²	119	128 Å²	128	62%	0.623	67%	0.674	S	S	*	*	H	α-helix	trans	-69.6	-36.3	173.2	-82.2	158.3	0	0	0	111.6	Q14 L15	L11-Q14 PolarHBondContact O-N 3.17Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.29Å; L11-L15 VanDerWaalsContact O-N 3.07Å
12	L	36.4	Very low	34.1	Very low	101 Å²	101	121.8 Å²	121.8	53%	0.529	65%	0.646	S	S	.	*	H	α-helix	trans	-67.3	-37.3	174.8	-146.4	86.4	0	0	0	111.6	L15 I16	L12-L15 PolarHBondContact O-N 2.9Å; L12-I16 HydrophobicContact CD2-CD1 3.92Å; L12-I16 HydrophobicContact CG-CD1 3.93Å; L12-I16 WeakPolarHBondContact O-CB 3.48Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.3Å
13	W	33.7	Very low	34.6	Very low	190 Å²	190	122 Å²	122	72%	0.72	63%	0.628	S	S	*	*	H	α-helix	trans	-69.3	-38.1	176.9	-136.1	62.4	0	0	0	112.4	W9 L10 V17	W9-W13 PolarHBondContact O-N 2.84Å; L10-W13 PolarHBondContact O-N 3.03Å; W13-V17 HydrophobicContact CD2-CG2 4.41Å; W13-V17 HydrophobicContact CE3-CG2 4.5Å; W13-V17 VanDerWaalsContact O-CB 3.28Å; W13-V17 WeakPolarHBondContact O-CB 3.39Å; W13-V17 WeakPolarHBondContact O-CG2 3.47Å; W13-V17 PolarHBondContact O-N 2.7Å
14	Q	35.4	Very low	35.1	Very low	145 Å²	145	121.6 Å²	121.6	68%	0.678	62%	0.619	S	S	*	*	H	α-helix	trans	-69	-32.8	173.8	-77	-175.6	-23.4	0	0	113.2	L10 L11 G18	L10-Q14 PolarHBondContact O-N 2.9Å; L10-Q14 VanDerWaalsContact O-N 3.1Å; L11-Q14 PolarHBondContact O-N 3.17Å; Q14-G18 WeakPolarHBondContact O-CA 2.96Å; Q14-G18 PolarHBondContact O-N 3.35Å
15	L	38.6	Very low	36.2	Very low	124 Å²	124	111.3 Å²	111.3	65%	0.649	59%	0.585	S	S	*	*	H	α-helix	trans	-73.8	-41	174.9	-79.7	160.8	0	0	0	112.7	L11 L12 C19	L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.29Å; L11-L15 VanDerWaalsContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 2.9Å; L15-C19 WeakPolarHBondContact O-CB 3.26Å; L15-C19 PolarHBondContact O-N 3.14Å; L15-C19 VanDerWaalsContact O-N 3.13Å
16	I	38.1	Very low	37.8	Very low	98 Å²	98	98.8 Å²	98.8	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-71.5	-39.3	179.6	-66.7	164.9	0	0	0	111	L12 S20	L12-I16 HydrophobicContact CD2-CD1 3.92Å; L12-I16 HydrophobicContact CG-CD1 3.93Å; L12-I16 WeakPolarHBondContact O-CB 3.48Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.3Å; I16-S20 PolarHBondContact O-N 3.01Å; I16-S20 PolarHBondContact O-OG 3.44Å
17	V	36.8	Very low	39.4	Very low	55 Å²	55	96 Å²	96	33%	0.333	51%	0.508	S	S	.	.	H	α-helix	trans	-74.6	-41.4	176.7	179.4	0	0	0	0	110.8	W13 C19 S20 F21	W13-V17 HydrophobicContact CD2-CG2 4.41Å; W13-V17 HydrophobicContact CE3-CG2 4.5Å; W13-V17 VanDerWaalsContact O-CB 3.28Å; W13-V17 WeakPolarHBondContact O-CB 3.39Å; W13-V17 WeakPolarHBondContact O-CG2 3.47Å; W13-V17 PolarHBondContact O-N 2.7Å; V17-C19 PolarHBondContact O-N 3.49Å; V17-S20 PolarHBondContact O-N 3.31Å; V17-F21 HydrophobicContact CG1-CD2 3.67Å; V17-F21 HydrophobicContact CG1-CE2 3.69Å; V17-F21 WeakPolarHBondContact O-CD2 3.29Å; V17-F21 PolarHBondContact O-N 3.08Å; V17-F21 VanDerWaalsContact O-N 3.09Å
18	G	32.3	Very low	41.3	Very low	34 Å²	34	96.7 Å²	96.7	35%	0.351	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-36.8	178.3	0	0	0	0	0	114.3	Q14 L22	Q14-G18 WeakPolarHBondContact O-CA 2.96Å; Q14-G18 PolarHBondContact O-N 3.35Å; G18-L22 PolarHBondContact O-N 2.8Å
19	C	33.6	Very low	43.6	Very low	76 Å²	76	92 Å²	92	51%	0.514	48%	0.476	S	S	.	.	H	α-helix	trans	-74.9	-32.7	178.6	-139.4	0	0	0	0	112.5	L15 V17 L23	L15-C19 WeakPolarHBondContact O-CB 3.26Å; L15-C19 PolarHBondContact O-N 3.14Å; L15-C19 VanDerWaalsContact O-N 3.13Å; V17-C19 PolarHBondContact O-N 3.49Å; C19-L23 PolarHBondContact O-N 3.32Å
20	S	34.6	Very low	45.9	Very low	72 Å²	72	84.7 Å²	84.7	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-71.3	-34.6	177	-52.3	0	0	0	0	112.4	I16 V17 C24	I16-S20 PolarHBondContact O-N 3.01Å; I16-S20 PolarHBondContact O-OG 3.44Å; V17-S20 PolarHBondContact O-N 3.31Å; S20-C24 PolarHBondContact O-N 2.84Å
21	F	35.9	Very low	48.2	Very low	142 Å²	142	79.4 Å²	79.4	62%	0.623	42%	0.423	S	S	*	.	H	α-helix	trans	-70.2	-42.9	176.6	-94	-91.3	0	0	0	112.1	V17 L23 C24 S25	V17-F21 HydrophobicContact CG1-CD2 3.67Å; V17-F21 HydrophobicContact CG1-CE2 3.69Å; V17-F21 WeakPolarHBondContact O-CD2 3.29Å; V17-F21 PolarHBondContact O-N 3.08Å; V17-F21 VanDerWaalsContact O-N 3.09Å; F21-L23 PolarHBondContact O-N 3.33Å; F21-C24 PolarHBondContact O-N 3.19Å; F21-S25 WeakPolarHBondContact O-CB 2.95Å; F21-S25 PolarHBondContact O-N 2.66Å; F21-S25 VanDerWaalsContact O-N 3.09Å; F21-S25 PolarHBondContact O-OG 2.98Å
22	L	38.3	Very low	50.3	Low	123 Å²	123	78.1 Å²	78.1	64%	0.644	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-36.5	-179.7	-87.5	155.9	0	0	0	113.9	G18	G18-L22 PolarHBondContact O-N 2.8Å
23	L	40.7	Very low	52.4	Low	78 Å²	78	76.6 Å²	76.6	41%	0.408	41%	0.412	S	S	.	.	H	α-helix	trans	-73.5	-33.8	178.4	-84.1	152.1	0	0	0	112.6	C19 F21	C19-L23 PolarHBondContact O-N 3.32Å; F21-L23 PolarHBondContact O-N 3.33Å
24	C	39.5	Very low	54.4	Low	89 Å²	89	73.7 Å²	73.7	60%	0.601	42%	0.417	S	S	*	.	H	α-helix	trans	-78.6	-34.9	-179.2	-143	0	0	0	0	112.3	S20 F21 A26 M27 L28	S20-C24 PolarHBondContact O-N 2.84Å; F21-C24 PolarHBondContact O-N 3.19Å; C24-A26 VanDerWaalsContact C-N 3.27Å; C24-A26 PolarHBondContact O-N 2.03Å; C24-M27 PolarHBondContact O-N 3.01Å; C24-L28 PolarHBondContact O-N 3.33Å
25	S	49.7	Very low	56.8	Low	35 Å²	35	68.2 Å²	68.2	25%	0.245	40%	0.395	C	S	.	.	H	α-helix	trans	-74.6	-7.2	-177.3	-57.2	0	0	0	0	115.5	F21 S36	F21-S25 WeakPolarHBondContact O-CB 2.95Å; F21-S25 PolarHBondContact O-N 2.66Å; F21-S25 VanDerWaalsContact O-N 3.09Å; F21-S25 PolarHBondContact O-OG 2.98Å; S25-S36 PolarHBondContact O-N 3.15Å; S25-S36 VanDerWaalsContact O-N 3.11Å; S25-S36 PolarHBondContact O-OG 2.9Å
26	A	58.1	Low	59	Low	2 Å²	2	64.4 Å²	64.4	2%	0.017	38%	0.379	C	S	.	.	H	α-helix	trans	-94.4	-28.1	176.8	0	0	0	0	0	112.9	C24 W37 P97 Y99 V222	C24-A26 VanDerWaalsContact C-N 3.27Å; C24-A26 PolarHBondContact O-N 2.03Å; A26-W37 PolarHBondContact O-NE1 3.45Å; A26-P97 HydrophobicContact CB-CG 4.33Å; A26-Y99 HydrophobicContact CB-CE1 4.43Å; A26-Y99 PolarHBondContact O-OH 3.14Å; A26-V222 HydrophobicContact CB-CG2 3.45Å; A26-V222 VanDerWaalsContact CB-CG2 3.45Å
27	M	63.1	Low	61.4	Low	44 Å²	44	60.5 Å²	60.5	22%	0.217	36%	0.357	C	S	.	.	H	α-helix	trans	-89.8	-30.1	-179.1	-74.1	-175.2	155.2	0	0	113	C24 N214 L215 C218 E220	C24-M27 PolarHBondContact O-N 3.01Å; M27-N214 CarbonylContact O-C 3.51Å; M27-N214 WeakPolarHBondContact O-CA 2.97Å; M27-N214 PolarHBondContact O-OD1 3.41Å; M27-L215 HydrophobicContact CB-CB 4.48Å; M27-L215 HydrophobicContact CG-CB 4.5Å; M27-L215 PolarHBondContact O-N 2.66Å; M27-C218 HydrophobicContact CE-CB 4.37Å; M27-C218 WeakPolarHBondContact CE-O 3.29Å; M27-E220 HydrophobicContact CE-CB 4.37Å; M27-E220 VanDerWaalsContact CE-N 3.29Å; M27-E220 VanDerWaalsContact CE-O 3.29Å; M27-E220 WeakPolarHBondContact CE-O 3.35Å
28	L	76.7	Confident	64	Low	83 Å²	83	61.7 Å²	61.7	44%	0.435	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	-177.7	-153.7	122.6	0	0	0	109.8	C24 I213 N214	C24-L28 PolarHBondContact O-N 3.33Å; L28-I213 CarbonylContact C-O 3.58Å; L28-I213 WeakPolarHBondContact CA-O 3.38Å; L28-N214 HydrophobicContact CD1-CB 4.43Å
29	C	85	Confident	66.8	Low	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	108.8	171.8	-173.2	0	0	0	0	110.2	C35 W37 I213	C29-C35 HydrophobicContact CB-CB 3.53Å; C29-C35 WeakPolarHBondContact CB-SG 3.34Å; C29-C35 WeakPolarHBondContact SG-CB 3.26Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 2.69Å; C29-W37 HydrophobicContact CB-CG 4.4Å; C29-I213 HydrophobicContact CB-CB 4.35Å; C29-I213 PolarHBondContact N-O 3.28Å; C29-I213 PolarHBondContact O-N 3.06Å
30	D	83.3	Confident	69.4	Low	47 Å²	47	61.3 Å²	61.3	25%	0.251	34%	0.34	S	S	.	.			trans	-106.9	6.7	176.1	59.3	-0.3	0	0	0	112.2	E32	D30-E32 HydrophobicContact CB-CG 4.43Å; D30-E32 PolarHBondContact O-N 3.24Å; D30-E32 PolarHBondContact OD1-N 2.99Å
31	F	84.9	Confident	71.7	Confident	10 Å²	10	60.4 Å²	60.4	4%	0.044	33%	0.333	C	S	.	.	S	Bend	trans	57.6	3.2	-178.7	-54.3	-74.3	0	0	0	116.5	S33 F39 I50 H78 A80 I210 I213	F31-S33 VanDerWaalsContact C-N 3.28Å; F31-F39 HydrophobicContact CD1-CZ 4.49Å; F31-F39 HydrophobicContact CE1-CE1 4.07Å; F31-F39 HydrophobicContact CE1-CZ 4.1Å; F31-I50 HydrophobicContact CB-CG2 4.38Å; F31-I50 HydrophobicContact CD1-CD1 4.39Å; F31-I50 HydrophobicContact CD1-CG1 4.42Å; F31-H78 HydrophobicContact CB-CB 4.21Å; F31-H78 WeakPolarHBondContact O-CB 3.49Å; F31-A80 HydrophobicContact CD1-CB 4.43Å; F31-A80 HydrophobicContact CD2-CB 4.38Å; F31-A80 HydrophobicContact CE1-CB 3.93Å; F31-A80 HydrophobicContact CE2-CB 3.87Å; F31-A80 HydrophobicContact CZ-CB 3.62Å; F31-I210 WeakPolarHBondContact CE2-O 3.39Å; F31-I213 HydrophobicContact CE2-CD1 4.19Å; F31-I213 HydrophobicContact CE2-CG1 4.47Å; F31-I213 HydrophobicContact CZ-CD1 3.8Å
32	E	82.2	Confident	73.7	Confident	92 Å²	92	58.2 Å²	58.2	43%	0.43	34%	0.335	S	S	.	.	S	Bend	trans	-73.5	-25	173.5	-59.2	-57.2	163.3	0	0	112.2	D30 G77 H78	D30-E32 HydrophobicContact CB-CG 4.43Å; D30-E32 PolarHBondContact O-N 3.24Å; D30-E32 PolarHBondContact OD1-N 2.99Å; E32-G77 VanDerWaalsContact OE1-C 3.31Å; E32-G77 WeakPolarHBondContact OE1-CA 3.45Å; E32-H78 PolarHBondContact OE1-N 3.12Å; E32-H78 IonicContact OE2-CE1 3.79Å; E32-H78 IonicContact OE2-CG 3.65Å; E32-H78 PolarHBondContact OE2-N 3.33Å; E32-H78 IonicContact OE2-ND1 2.79Å; E32-H78 PolarHBondContact OE2-ND1 3.14Å
33	S	79.1	Confident	75.5	Confident	70 Å²	70	58 Å²	58	49%	0.49	34%	0.339	S	S	.	.	S	Bend	trans	-136.4	155.1	175.7	64	0	0	0	0	110.2	F31 C35	F31-S33 VanDerWaalsContact C-N 3.28Å; S33-C35 PolarHBondContact O-N 3.42Å; S33-C35 VanDerWaalsContact O-N 3.07Å
34	P	76.1	Confident	77.1	Confident	128 Å²	128	56.6 Å²	56.6	83%	0.831	34%	0.344	S	S	*	.			trans	-60.7	115.8	178.2	21.7	-30.6	0	0	0	110.5
35	C	85.1	Confident	78.6	Confident	30 Å²	30	58.1 Å²	58.1	20%	0.203	35%	0.346	C	S	.	.			trans	-101.9	173.2	177.7	73.9	0	0	0	0	110.8	C29 S33 W37	C29-C35 HydrophobicContact CB-CB 3.53Å; C29-C35 WeakPolarHBondContact CB-SG 3.34Å; C29-C35 WeakPolarHBondContact SG-CB 3.26Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 2.69Å; S33-C35 PolarHBondContact O-N 3.42Å; S33-C35 VanDerWaalsContact O-N 3.07Å; C35-W37 PolarHBondContact O-N 3.45Å
36	S	85.4	Confident	80	Confident	44 Å²	44	59.7 Å²	59.7	31%	0.308	35%	0.352	S	S	.	.	S	Bend	trans	-74.9	-4.5	-177.9	-55.7	0	0	0	0	114.4	S25	S25-S36 PolarHBondContact O-N 3.15Å; S25-S36 VanDerWaalsContact O-N 3.11Å; S25-S36 PolarHBondContact O-OG 2.9Å
37	W	88.7	Confident	81.3	Confident	16 Å²	16	60.4 Å²	60.4	6%	0.061	36%	0.356	C	S	.	.			trans	-81.4	141.8	178.1	-64.9	68	0	0	0	110.3	A26 C29 C35 V94 V95 S96 L108 I187 L189 I213	A26-W37 PolarHBondContact O-NE1 3.45Å; C29-W37 HydrophobicContact CB-CG 4.4Å; C35-W37 PolarHBondContact O-N 3.45Å; W37-V94 HydrophobicContact CB-CG1 4.43Å; W37-V94 HydrophobicContact CE3-CG1 3.98Å; W37-V95 CarbonylContact C-O 3.54Å; W37-V95 VanDerWaalsContact CA-O 3.29Å; W37-V95 WeakPolarHBondContact CA-O 3.35Å; W37-S96 VanDerWaalsContact CE3-N 3.33Å; W37-L108 HydrophobicContact CH2-CD1 4.16Å; W37-L108 HydrophobicContact CZ2-CD1 4.41Å; W37-I187 HydrophobicContact CH2-CB 4.07Å; W37-I187 HydrophobicContact CH2-CD1 4.37Å; W37-I187 HydrophobicContact CH2-CG2 4.11Å; W37-I187 HydrophobicContact CZ3-CB 4.44Å; W37-I187 HydrophobicContact CZ3-CG2 4.43Å; W37-L189 HydrophobicContact CZ3-CD1 4.19Å; W37-I213 HydrophobicContact CD2-CD1 4.46Å; W37-I213 HydrophobicContact CE3-CD1 4.33Å; W37-I213 HydrophobicContact CH2-CG2 3.75Å; W37-I213 HydrophobicContact CZ2-CG2 3.49Å; W37-I213 VanDerWaalsContact CZ2-CG2 3.49Å; W37-I213 HydrophobicContact CZ3-CG2 4.4Å
38	H	90.8	Very high	82.4	Confident	81 Å²	81	58.5 Å²	58.5	38%	0.375	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.7	-178.8	61.5	-76.7	0	0	0	111.5	V95	H38-V95 VanDerWaalsContact CE1-CG1 3.48Å; H38-V95 WeakPolarHBondContact CE1-CG1 3.49Å; H38-V95 PolarHBondContact N-O 3.18Å; H38-V95 PolarHBondContact ND1-O 3.13Å; H38-V95 PolarHBondContact O-N 2.65Å
39	F	91	Very high	82.8	Confident	38 Å²	38	60.9 Å²	60.9	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141	179	-52.7	-35.9	0	0	0	111	F31 P41 S42 F48 I50 A80 K93 V94	F31-F39 HydrophobicContact CD1-CZ 4.49Å; F31-F39 HydrophobicContact CE1-CE1 4.07Å; F31-F39 HydrophobicContact CE1-CZ 4.1Å; F39-P41 CarbonylContact C-O 3.49Å; F39-P41 CarbonylContact O-C 3.57Å; F39-S42 VanDerWaalsContact O-CA 3.3Å; F39-S42 WeakPolarHBondContact O-CA 3.3Å; F39-S42 PolarHBondContact O-N 3.07Å; F39-F48 HydrophobicContact CB-CB 4.33Å; F39-F48 HydrophobicContact CD1-CB 3.72Å; F39-F48 HydrophobicContact CD1-CG 4.5Å; F39-F48 HydrophobicContact CD2-CB 3.94Å; F39-F48 VanDerWaalsContact CD2-O 3.23Å; F39-F48 WeakPolarHBondContact CD2-O 3.32Å; F39-F48 HydrophobicContact CE1-CB 3.95Å; F39-F48 HydrophobicContact CE2-CB 4.15Å; F39-F48 HydrophobicContact CG-CB 3.73Å; F39-F48 HydrophobicContact CZ-CB 4.17Å; F39-I50 HydrophobicContact CE2-CG1 3.98Å; F39-I50 HydrophobicContact CZ-CG1 3.96Å; F39-A80 HydrophobicContact CE1-CB 4.27Å; F39-A80 HydrophobicContact CZ-CB 4.21Å; F39-K93 WeakPolarHBondContact CA-O 3.49Å; F39-V94 HydrophobicContact CD1-CB 4.41Å; F39-V94 HydrophobicContact CD1-CG1 4.18Å; F39-V94 HydrophobicContact CD1-CG2 3.98Å; F39-V94 HydrophobicContact CE1-CG1 4.03Å; F39-V94 HydrophobicContact CE1-CG2 4.02Å
40	E	88.6	Confident	82.8	Confident	63 Å²	63	65 Å²	65	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.7	173.9	-165.5	-168.6	127.5	0	0	109.2	K93 V95 R186	E40-K93 HydrophobicContact CB-CB 4.19Å; E40-K93 HydrophobicContact CB-CD 4.36Å; E40-K93 PolarHBondContact N-O 2.84Å; E40-K93 WeakPolarHBondContact O-CB 3.41Å; E40-K93 PolarHBondContact O-N 3.05Å; E40-K93 IonicContact OE1-NZ 2.74Å; E40-K93 PolarHBondContact OE1-NZ 2.95Å; E40-V95 HydrophobicContact CB-CG2 4.12Å; E40-R186 IonicContact OE2-NH2 2.98Å
41	P	83.8	Confident	82.7	Confident	54 Å²	54	63.3 Å²	63.3	35%	0.351	36%	0.363	S	S	.	.	S	Bend	cis	-62	154.4	-6.7	26.8	-32.9	0	0	0	112.4	F39 N46 S47	F39-P41 CarbonylContact C-O 3.49Å; F39-P41 CarbonylContact O-C 3.57Å; P41-N46 VanDerWaalsContact CD-O 3.3Å; P41-N46 WeakPolarHBondContact CD-O 2.95Å; P41-N46 WeakPolarHBondContact CG-O 3.23Å; P41-S47 WeakPolarHBondContact O-CB 3.26Å
42	S	78.5	Confident	82.1	Confident	96 Å²	96	63.7 Å²	63.7	67%	0.671	37%	0.366	S	S	*	.	S	Bend	trans	-71.8	-28.4	-175	51.8	0	0	0	0	113.6	F39	F39-S42 VanDerWaalsContact O-CA 3.3Å; F39-S42 WeakPolarHBondContact O-CA 3.3Å; F39-S42 PolarHBondContact O-N 3.07Å
43	T	75.2	Confident	81	Confident	118 Å²	118	60.3 Å²	60.3	72%	0.724	36%	0.356	S	S	*	.	S	Bend	trans	-147	145.7	176.6	54.3	0	0	0	0	110.9
44	G	73.9	Confident	79.7	Confident	49 Å²	49	61.8 Å²	61.8	51%	0.505	36%	0.362	S	S	.	.	S	Bend	trans	139.1	177.4	172.8	0	0	0	0	0	113.5	N46 S47	G44-N46 PolarHBondContact O-N 3.35Å; G44-S47 PolarHBondContact N-OG 2.8Å; G44-S47 PolarHBondContact O-N 3.01Å; G44-S47 PolarHBondContact O-OG 3.29Å
45	D	71.8	Confident	78.3	Confident	121 Å²	121	61.3 Å²	61.3	65%	0.647	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	175.1	-76.9	0.1	0	0	0	112.3	K86	D45-K86 IonicContact OD2-NZ 3.14Å; D45-K86 PolarHBondContact OD2-NZ 2.73Å
46	N	79.4	Confident	76.1	Confident	68 Å²	68	68.4 Å²	68.4	36%	0.364	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	24.4	-178.2	-65.5	-6.3	0	0	0	113	P41 G44 A92	P41-N46 VanDerWaalsContact CD-O 3.3Å; P41-N46 WeakPolarHBondContact CD-O 2.95Å; P41-N46 WeakPolarHBondContact CG-O 3.23Å; G44-N46 PolarHBondContact O-N 3.35Å; N46-A92 WeakPolarHBondContact O-CB 3.35Å
47	S	83.7	Confident	73.8	Confident	16 Å²	16	69.5 Å²	69.5	11%	0.112	38%	0.384	C	S	.	.	S	Bend	trans	-115	154.8	176.4	67.8	0	0	0	0	112	P41 G44	P41-S47 WeakPolarHBondContact O-CB 3.26Å; G44-S47 PolarHBondContact N-OG 2.8Å; G44-S47 PolarHBondContact O-N 3.01Å; G44-S47 PolarHBondContact O-OG 3.29Å
48	F	86.2	Confident	71.1	Confident	4 Å²	4	71 Å²	71	2%	0.018	41%	0.405	C	S	.	.			trans	-63.2	148.6	164.5	-81.1	-88.6	0	0	0	110.5	F39 A80 Y81 F82 A92 V94 A191 I210	F39-F48 HydrophobicContact CB-CB 4.33Å; F39-F48 HydrophobicContact CD1-CB 3.72Å; F39-F48 HydrophobicContact CD1-CG 4.5Å; F39-F48 HydrophobicContact CD2-CB 3.94Å; F39-F48 VanDerWaalsContact CD2-O 3.23Å; F39-F48 WeakPolarHBondContact CD2-O 3.32Å; F39-F48 HydrophobicContact CE1-CB 3.95Å; F39-F48 HydrophobicContact CE2-CB 4.15Å; F39-F48 HydrophobicContact CG-CB 3.73Å; F39-F48 HydrophobicContact CZ-CB 4.17Å; F48-A80 HydrophobicContact CD1-CB 3.92Å; F48-Y81 WeakPolarHBondContact CA-O 3.38Å; F48-F82 HydrophobicContact CD1-CB 3.53Å; F48-F82 HydrophobicContact CD2-CB 4.18Å; F48-F82 HydrophobicContact CE1-CB 3.47Å; F48-F82 VanDerWaalsContact CE1-CB 3.47Å; F48-F82 HydrophobicContact CE2-CB 4.13Å; F48-F82 HydrophobicContact CG-CB 3.89Å; F48-F82 HydrophobicContact CZ-CB 3.79Å; F48-A92 HydrophobicContact CD2-CB 3.6Å; F48-A92 HydrophobicContact CE2-CB 3.67Å; F48-V94 HydrophobicContact CB-CG2 4.42Å; F48-V94 HydrophobicContact CD1-CG2 4.06Å; F48-V94 HydrophobicContact CD2-CG2 3.52Å; F48-V94 HydrophobicContact CE1-CG2 4.18Å; F48-V94 HydrophobicContact CE2-CG2 3.65Å; F48-V94 HydrophobicContact CG-CG2 3.74Å; F48-V94 HydrophobicContact CZ-CG2 3.99Å; F48-A191 HydrophobicContact CE2-CB 4.11Å; F48-A191 HydrophobicContact CZ-CB 3.73Å; F48-I210 HydrophobicContact CE1-CD1 4.07Å; F48-I210 HydrophobicContact CE1-CG1 4.4Å; F48-I210 HydrophobicContact CZ-CD1 3.89Å
49	R	85.9	Confident	68.2	Low	134 Å²	134	76.7 Å²	76.7	51%	0.506	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.2	171	59	176.7	-173.8	-141.2	1.6	110	V51 Y81	R49-V51 HydrophobicContact CG-CG2 3.87Å; R49-Y81 HydrophobicContact CG-CD1 4.14Å; R49-Y81 PolarHBondContact N-O 3.11Å; R49-Y81 VanDerWaalsContact NH2-CE1 3.26Å; R49-Y81 PolarHBondContact O-N 2.84Å
50	I	84.9	Confident	65.2	Low	85 Å²	85	80.6 Å²	80.6	44%	0.436	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.1	174.4	-57.5	176.7	0	0	0	107.8	F31 F39 H78 Y79	F31-I50 HydrophobicContact CB-CG2 4.38Å; F31-I50 HydrophobicContact CD1-CD1 4.39Å; F31-I50 HydrophobicContact CD1-CG1 4.42Å; F39-I50 HydrophobicContact CE2-CG1 3.98Å; F39-I50 HydrophobicContact CZ-CG1 3.96Å; I50-H78 HydrophobicContact CG2-CB 3.72Å; I50-Y79 WeakPolarHBondContact CA-O 3.39Å
51	V	81.2	Confident	62.3	Low	13 Å²	13	80.6 Å²	80.6	8%	0.079	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.9	-177.8	-178.2	0	0	0	0	108.8	R49 E55 H78 Y79 Y81	R49-V51 HydrophobicContact CG-CG2 3.87Å; V51-E55 HydrophobicContact CG1-CB 4.04Å; V51-E55 WeakPolarHBondContact CG1-OE2 3.25Å; V51-H78 WeakPolarHBondContact O-CA 3.49Å; V51-Y79 HydrophobicContact CB-CE2 4.17Å; V51-Y79 PolarHBondContact N-O 3.14Å; V51-Y79 WeakPolarHBondContact O-CD1 3.19Å; V51-Y79 WeakPolarHBondContact O-CE1 3.3Å; V51-Y79 PolarHBondContact O-N 2.92Å; V51-Y81 HydrophobicContact CG2-CD1 4.21Å; V51-Y81 HydrophobicContact CG2-CG 4.18Å
52	S	72.9	Confident	59.5	Low	17 Å²	17	85.5 Å²	85.5	12%	0.119	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.5	173.5	175.4	0	0	0	0	111	T54 E55 G77	S52-T54 PolarHBondContact O-N 2.71Å; S52-T54 PolarHBondContact OG-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.25Å; S52-E55 WeakPolarHBondContact O-CB 3.18Å; S52-E55 PolarHBondContact O-N 2.74Å; S52-G77 WeakPolarHBondContact CA-O 3.44Å
53	G	59.8	Low	57.1	Low	22 Å²	22	88.4 Å²	88.4	23%	0.227	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15	170.5	0	0	0	0	0	114.4	G77	G53-G77 PolarHBondContact N-O 3.45Å
54	T	50.1	Low	54.7	Low	100 Å²	100	95.1 Å²	95.1	61%	0.613	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.9	175.7	64.3	0	0	0	0	113.7	S52 K56	S52-T54 PolarHBondContact O-N 2.71Å; S52-T54 PolarHBondContact OG-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.25Å; T54-K56 PolarHBondContact O-N 3.38Å
55	E	46.6	Very low	52.5	Low	118 Å²	118	94.8 Å²	94.8	55%	0.551	51%	0.51	S	S	*	.			trans	-77.6	110.2	-175.8	-143.8	175.2	-176.3	0	0	109.4	V51 S52 S57	V51-E55 HydrophobicContact CG1-CB 4.04Å; V51-E55 WeakPolarHBondContact CG1-OE2 3.25Å; S52-E55 WeakPolarHBondContact O-CB 3.18Å; S52-E55 PolarHBondContact O-N 2.74Å; E55-S57 PolarHBondContact O-N 3.36Å
56	K	40	Very low	50.4	Low	180 Å²	180	97.3 Å²	97.3	78%	0.783	52%	0.523	S	S	*	.			trans	-63.5	103.6	167.9	-69.2	180	-177.7	175.4	0	106.8	T54 G58	T54-K56 PolarHBondContact O-N 3.38Å; K56-G58 PolarHBondContact O-N 2.8Å
57	S	36.6	Very low	48.3	Very low	66 Å²	66	100.7 Å²	100.7	46%	0.462	53%	0.532	S	S	.	.	S	Bend	trans	-45.5	103.7	166.7	176.9	0	0	0	0	108.7	E55	E55-S57 PolarHBondContact O-N 3.36Å
58	G	32.5	Very low	46	Very low	49 Å²	49	104.7 Å²	104.7	51%	0.505	56%	0.556	S	S	.	*			trans	162.6	10.9	-168.8	0	0	0	0	0	118.7	K56	K56-G58 PolarHBondContact O-N 2.8Å
59	Q	29.4	Very low	43.4	Very low	199 Å²	199	114.8 Å²	114.8	93%	0.93	60%	0.595	S	S	*	*			trans	-138.9	58.6	173.7	-99	-179.3	-14.9	0	0	113
60	S	28.4	Very low	41.1	Very low	120 Å²	120	111.5 Å²	111.5	84%	0.839	59%	0.587	S	S	*	*	S	Bend	trans	-138.8	137.4	144	-165.3	0	0	0	0	108.3
61	G	27.2	Very low	38.6	Very low	64 Å²	64	118.4 Å²	118.4	66%	0.66	61%	0.607	S	S	*	*	S	Bend	trans	-62	163.2	-152.5	0	0	0	0	0	116.3
62	I	25.3	Very low	36.9	Very low	156 Å²	156	119.5 Å²	119.5	80%	0.8	61%	0.612	S	S	*	*	S	Bend	trans	80.1	69.1	168.4	-35.6	173.6	0	0	0	114.3
63	H	27.6	Very low	35.6	Very low	158 Å²	158	125.3 Å²	125.3	73%	0.731	64%	0.642	S	S	*	*				168.1	123.2	122	-90.6	-74	0	0	0	110.3	A65	H63-A65 PolarHBondContact O-N 3.16Å; H63-A65 VanDerWaalsContact O-N 3.13Å
64	R	24.5	Very low	34.7	Very low	259 Å²	259	125.7 Å²	125.7	98%	0.977	64%	0.643	S	S	*	*			trans	-64.2	102.2	169.2	-75.3	173.9	172	164.9	-3.3	109.3
65	A	28.7	Very low	34.7	Very low	42 Å²	42	126.8 Å²	126.8	35%	0.347	65%	0.652	S	S	.	*			trans	-155.2	132.3	160.3	0	0	0	0	0	110.4	H63 Y67	H63-A65 PolarHBondContact O-N 3.16Å; H63-A65 VanDerWaalsContact O-N 3.13Å; A65-Y67 WeakPolarHBondContact O-CD2 3.14Å; A65-Y67 WeakPolarHBondContact O-CE2 3.43Å; A65-Y67 PolarHBondContact O-N 2.78Å
66	N	28.5	Very low	35.2	Very low	174 Å²	174	124.8 Å²	124.8	93%	0.93	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-54.2	119.2	-177.3	-68.5	-28.9	0	0	0	112.5
67	Y	34.4	Very low	36.5	Very low	138 Å²	138	116.9 Å²	116.9	54%	0.541	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-83.8	140.8	178.1	-65.7	-83.8	0	0	0	112.1	A65 Y69	A65-Y67 WeakPolarHBondContact O-CD2 3.14Å; A65-Y67 WeakPolarHBondContact O-CE2 3.43Å; A65-Y67 PolarHBondContact O-N 2.78Å; Y67-Y69 PolarHBondContact O-N 2.87Å
68	V	34.7	Very low	38.7	Very low	101 Å²	101	117 Å²	117	61%	0.612	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-65.7	120.9	167.6	173.6	0	0	0	0	108.6	I70 V152	V68-I70 PolarHBondContact O-N 3.08Å; V68-V152 HydrophobicContact CG2-CG1 3.9Å
69	Y	31.2	Very low	41.1	Very low	216 Å²	216	115.3 Å²	115.3	85%	0.847	60%	0.597	S	S	*	*			trans	-66.9	99.5	172.6	-70.9	-88.3	0	0	0	109.7	Y67 R71	Y67-Y69 PolarHBondContact O-N 2.87Å; Y69-R71 PolarHBondContact O-N 2.74Å
70	I	37.7	Very low	43.9	Very low	64 Å²	64	105.8 Å²	105.8	33%	0.328	55%	0.553	S	S	.	*			trans	-81.4	105.3	163.3	-60.1	172.8	0	0	0	106.4	V68 I72 M209	V68-I70 PolarHBondContact O-N 3.08Å; I70-I72 HydrophobicContact CG2-CG1 3.79Å; I70-I72 PolarHBondContact O-N 3.07Å; I70-M209 HydrophobicContact CD1-CE 4.17Å
71	R	34.1	Very low	46.7	Very low	231 Å²	231	101.6 Å²	101.6	87%	0.872	52%	0.519	S	S	*	.			trans	-72	107.5	169	-156.5	-174.5	-77.9	-127	4.5	106.6	Y69	Y69-R71 PolarHBondContact O-N 2.74Å
72	I	45.4	Very low	49.5	Very low	35 Å²	35	98.7 Å²	98.7	18%	0.179	49%	0.488	C	S	.	.			trans	-94.2	118.5	-179.7	-56.3	172.9	0	0	0	106.9	I70 A74 Y79	I70-I72 HydrophobicContact CG2-CG1 3.79Å; I70-I72 PolarHBondContact O-N 3.07Å; I72-A74 HydrophobicContact CG2-CB 4.27Å; I72-A74 PolarHBondContact O-N 3.21Å; I72-Y79 HydrophobicContact CD1-CE1 4.11Å; I72-Y79 WeakPolarHBondContact CD1-OH 3.24Å
73	D	44.3	Very low	52.1	Low	139 Å²	139	92.4 Å²	92.4	74%	0.743	46%	0.461	S	S	*	.	S	Bend	trans	-75.2	42.3	-179.7	-70.5	-34	0	0	0	113.2
74	A	42.7	Very low	54.3	Low	31 Å²	31	85.4 Å²	85.4	26%	0.256	43%	0.43	S	S	.	.			trans	-130.4	93.4	172.8	0	0	0	0	0	109	I72 A76	I72-A74 HydrophobicContact CG2-CB 4.27Å; I72-A74 PolarHBondContact O-N 3.21Å; A74-A76 PolarHBondContact O-N 2.93Å
75	P	48.6	Very low	56.2	Low	122 Å²	122	77 Å²	77	79%	0.792	41%	0.41	S	S	*	.	S	Bend	trans	-68.1	1	-166.2	-19.8	31.3	0	0	0	117.2
76	A	56.9	Low	57.7	Low	76 Å²	76	80.3 Å²	80.3	63%	0.628	42%	0.417	S	S	*	.	S	Bend	trans	-161	3.8	-179.6	0	0	0	0	0	115.8	A74	A74-A76 PolarHBondContact O-N 2.93Å
77	G	68.7	Low	59.1	Low	15 Å²	15	76.8 Å²	76.8	16%	0.155	40%	0.398	C	S	.	.			trans	-95.5	162.8	-168.9	0	0	0	0	0	115.7	E32 S52 G53	E32-G77 VanDerWaalsContact OE1-C 3.31Å; E32-G77 WeakPolarHBondContact OE1-CA 3.45Å; S52-G77 WeakPolarHBondContact CA-O 3.44Å; G53-G77 PolarHBondContact N-O 3.45Å
78	H	81.7	Confident	60.6	Low	68 Å²	68	75.7 Å²	75.7	32%	0.315	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.9	177.3	-66	87.4	0	0	0	111.3	F31 E32 I50 V51	F31-H78 HydrophobicContact CB-CB 4.21Å; F31-H78 WeakPolarHBondContact O-CB 3.49Å; E32-H78 PolarHBondContact OE1-N 3.12Å; E32-H78 IonicContact OE2-CE1 3.79Å; E32-H78 IonicContact OE2-CG 3.65Å; E32-H78 PolarHBondContact OE2-N 3.33Å; E32-H78 IonicContact OE2-ND1 2.79Å; E32-H78 PolarHBondContact OE2-ND1 3.14Å; I50-H78 HydrophobicContact CG2-CB 3.72Å; V51-H78 WeakPolarHBondContact O-CA 3.49Å
79	Y	83.9	Confident	62.3	Low	13 Å²	13	76 Å²	76	5%	0.051	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.6	175	55.7	-86.7	0	0	0	110.8	I50 V51 I72 W171 M209	I50-Y79 WeakPolarHBondContact CA-O 3.39Å; V51-Y79 HydrophobicContact CB-CE2 4.17Å; V51-Y79 PolarHBondContact N-O 3.14Å; V51-Y79 WeakPolarHBondContact O-CD1 3.19Å; V51-Y79 WeakPolarHBondContact O-CE1 3.3Å; V51-Y79 PolarHBondContact O-N 2.92Å; I72-Y79 HydrophobicContact CD1-CE1 4.11Å; I72-Y79 WeakPolarHBondContact CD1-OH 3.24Å; Y79-W171 HydrophobicContact CD2-CH2 4.39Å; Y79-W171 HydrophobicContact CG-CH2 4.23Å; Y79-M209 HydrophobicContact CD2-CB 4.05Å; Y79-M209 HydrophobicContact CD2-CG 4.19Å; Y79-M209 HydrophobicContact CE2-CB 4.35Å; Y79-M209 HydrophobicContact CE2-CG 3.98Å
80	A	88.1	Confident	64.7	Low	0 Å²	0	66 Å²	66	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.6	173	0	0	0	0	0	110	F31 F39 F48 M209 I210	F31-A80 HydrophobicContact CD1-CB 4.43Å; F31-A80 HydrophobicContact CD2-CB 4.38Å; F31-A80 HydrophobicContact CE1-CB 3.93Å; F31-A80 HydrophobicContact CE2-CB 3.87Å; F31-A80 HydrophobicContact CZ-CB 3.62Å; F39-A80 HydrophobicContact CE1-CB 4.27Å; F39-A80 HydrophobicContact CZ-CB 4.21Å; F48-A80 HydrophobicContact CD1-CB 3.92Å; A80-M209 CarbonylContact O-C 3.45Å; A80-M209 VanDerWaalsContact O-CA 3.26Å; A80-M209 WeakPolarHBondContact O-CA 3.49Å; A80-I210 HydrophobicContact CB-CB 4.5Å; A80-I210 PolarHBondContact N-O 3.19Å; A80-I210 PolarHBondContact O-N 2.71Å
81	Y	87.2	Confident	67	Low	32 Å²	32	65 Å²	65	13%	0.125	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	179	171.1	-92	0	0	0	110.9	F48 R49 V51 D207 C208 M209	F48-Y81 WeakPolarHBondContact CA-O 3.38Å; R49-Y81 HydrophobicContact CG-CD1 4.14Å; R49-Y81 PolarHBondContact N-O 3.11Å; R49-Y81 VanDerWaalsContact NH2-CE1 3.26Å; R49-Y81 PolarHBondContact O-N 2.84Å; V51-Y81 HydrophobicContact CG2-CD1 4.21Å; V51-Y81 HydrophobicContact CG2-CG 4.18Å; Y81-D207 HydrophobicContact CE2-CB 4.14Å; Y81-D207 PolarHBondContact OH-OD1 2.97Å; Y81-C208 WeakPolarHBondContact CA-O 2.98Å; Y81-M209 HydrophobicContact CD2-CE 3.99Å; Y81-M209 HydrophobicContact CD2-CG 3.87Å; Y81-M209 HydrophobicContact CE2-CE 3.89Å
82	F	86.1	Confident	69.6	Low	3 Å²	3	54 Å²	54	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124	169.1	174.7	-128.1	0	0	0	108.9	F48 T90 A92 A191 L193 C208	F48-F82 HydrophobicContact CD1-CB 3.53Å; F48-F82 HydrophobicContact CD2-CB 4.18Å; F48-F82 HydrophobicContact CE1-CB 3.47Å; F48-F82 VanDerWaalsContact CE1-CB 3.47Å; F48-F82 HydrophobicContact CE2-CB 4.13Å; F48-F82 HydrophobicContact CG-CB 3.89Å; F48-F82 HydrophobicContact CZ-CB 3.79Å; F82-T90 WeakPolarHBondContact CZ-OG1 3.39Å; F82-A92 HydrophobicContact CB-CB 4.38Å; F82-A92 HydrophobicContact CD1-CB 3.47Å; F82-A92 VanDerWaalsContact CD1-CB 3.47Å; F82-A92 HydrophobicContact CD2-CB 3.8Å; F82-A92 HydrophobicContact CE1-CB 3.5Å; F82-A92 HydrophobicContact CE2-CB 3.89Å; F82-A92 HydrophobicContact CG-CB 3.61Å; F82-A92 HydrophobicContact CZ-CB 3.72Å; F82-A191 HydrophobicContact CD1-CB 4.07Å; F82-L193 HydrophobicContact CD1-CD1 3.41Å; F82-L193 VanDerWaalsContact CD1-CD1 3.41Å; F82-L193 HydrophobicContact CD1-CG 3.91Å; F82-L193 HydrophobicContact CE1-CB 4.4Å; F82-L193 HydrophobicContact CE1-CD1 3.32Å; F82-L193 HydrophobicContact CE1-CG 3.64Å; F82-L193 HydrophobicContact CG-CD1 4.16Å; F82-L193 HydrophobicContact CZ-CD1 3.96Å; F82-C208 PolarHBondContact N-O 3.26Å; F82-C208 PolarHBondContact O-N 3.22Å
83	G	79.9	Confident	71.8	Confident	23 Å²	23	54.3 Å²	54.3	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.5	178.4	0	0	0	0	0	111.5	A206	G83-A206 CarbonylContact C-O 3.52Å; G83-A206 WeakPolarHBondContact CA-O 3.28Å
84	T	73.1	Confident	74.1	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.6	176.9	-177.2	0	0	0	0	110.9	K86 L193 S205 A206	T84-K86 PolarHBondContact OG1-N 3.24Å; T84-K86 PolarHBondContact OG1-O 2.88Å; T84-L193 HydrophobicContact CG2-CB 3.82Å; T84-L193 HydrophobicContact CG2-CD1 3.88Å; T84-S205 WeakPolarHBondContact O-CA 3.43Å; T84-A206 HydrophobicContact CG2-CB 4.32Å; T84-A206 PolarHBondContact N-O 3.16Å; T84-A206 PolarHBondContact O-N 3.48Å; T84-A206 VanDerWaalsContact O-N 3.16Å
85	S	63.5	Low	76.5	Confident	81 Å²	81	46.2 Å²	46.2	57%	0.566	26%	0.262	S	S	*	.			trans	-109.2	-3.7	168.5	59.1	0	0	0	0	112.4
86	K	61.6	Low	78.5	Confident	113 Å²	113	40.4 Å²	40.4	49%	0.491	22%	0.224	S	C	.	.	S	Bend	trans	-89.2	143.9	-179.6	-65	175.8	-179	170.1	0	109.4	D45 T84 E88 N195	D45-K86 IonicContact OD2-NZ 3.14Å; D45-K86 PolarHBondContact OD2-NZ 2.73Å; T84-K86 PolarHBondContact OG1-N 3.24Å; T84-K86 PolarHBondContact OG1-O 2.88Å; K86-E88 PolarHBondContact O-N 3.06Å; K86-N195 WeakPolarHBondContact O-CB 3.49Å; K86-N195 PolarHBondContact O-ND2 2.88Å
87	N	56.8	Low	80	Confident	99 Å²	99	37.7 Å²	37.7	53%	0.529	20%	0.2	S	C	.	.	S	Bend	trans	-74.9	50.3	-178.1	-80.4	-10.5	0	0	0	113	N195	N87-N195 PolarHBondContact OD1-O 2.91Å
88	E	66.9	Low	80.6	Confident	116 Å²	116	39.2 Å²	39.2	54%	0.542	20%	0.203	S	C	.	.	S	Bend	trans	-128.5	152.7	-178.5	-67.3	-178.3	-178.2	0	0	110.4	K86 T90	K86-E88 PolarHBondContact O-N 3.06Å; E88-T90 HydrophobicContact CB-CG2 4.24Å; E88-T90 PolarHBondContact O-N 3.15Å
89	E	69.9	Low	80.5	Confident	106 Å²	106	36.3 Å²	36.3	50%	0.495	19%	0.189	S	C	.	.			trans	-82.9	114	170.5	-76.9	165.2	155.1	0	0	106.6	N194 K196	E89-N194 HydrophobicContact CG-CB 4.4Å; E89-N194 PolarHBondContact OE1-ND2 2.76Å; E89-K196 HydrophobicContact CG-CD 4.2Å; E89-K196 IonicContact OE2-NZ 3.12Å; E89-K196 PolarHBondContact OE2-NZ 2.78Å
90	T	80.9	Confident	79.7	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.2	-177.4	57.7	0	0	0	0	110.2	F82 E88 L193	F82-T90 WeakPolarHBondContact CZ-OG1 3.39Å; E88-T90 HydrophobicContact CB-CG2 4.24Å; E88-T90 PolarHBondContact O-N 3.15Å; T90-L193 PolarHBondContact N-O 3.19Å; T90-L193 PolarHBondContact O-N 3.44Å
91	V	86.4	Confident	78.5	Confident	42 Å²	42	37 Å²	37	26%	0.255	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	179.7	-174.6	0	0	0	0	108.2	K93 E190 A191 W192	V91-K93 HydrophobicContact CG1-CG 4.46Å; V91-E190 HydrophobicContact CG1-CB 4.44Å; V91-A191 WeakPolarHBondContact CA-O 3.47Å; V91-W192 HydrophobicContact CG1-CD2 4.28Å; V91-W192 HydrophobicContact CG1-CG 4.45Å; V91-W192 HydrophobicContact CG1-CZ2 4.42Å; V91-W192 HydrophobicContact CG2-CD2 3.47Å; V91-W192 VanDerWaalsContact CG2-CD2 3.47Å; V91-W192 HydrophobicContact CG2-CE3 3.36Å; V91-W192 HydrophobicContact CG2-CG 4.07Å; V91-W192 HydrophobicContact CG2-CH2 3.99Å; V91-W192 HydrophobicContact CG2-CZ2 4.09Å; V91-W192 HydrophobicContact CG2-CZ3 3.64Å
92	A	89.5	Confident	77.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.6	168.4	0	0	0	0	0	109	N46 F48 F82 A191	N46-A92 WeakPolarHBondContact O-CB 3.35Å; F48-A92 HydrophobicContact CD2-CB 3.6Å; F48-A92 HydrophobicContact CE2-CB 3.67Å; F82-A92 HydrophobicContact CB-CB 4.38Å; F82-A92 HydrophobicContact CD1-CB 3.47Å; F82-A92 VanDerWaalsContact CD1-CB 3.47Å; F82-A92 HydrophobicContact CD2-CB 3.8Å; F82-A92 HydrophobicContact CE1-CB 3.5Å; F82-A92 HydrophobicContact CE2-CB 3.89Å; F82-A92 HydrophobicContact CG-CB 3.61Å; F82-A92 HydrophobicContact CZ-CB 3.72Å; A92-A191 PolarHBondContact N-O 3.48Å; A92-A191 PolarHBondContact O-N 2.92Å
93	K	91.6	Very high	76.2	Confident	42 Å²	42	36.5 Å²	36.5	18%	0.183	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.2	-175.6	-42.7	176.1	-166.1	160.8	0	111.6	F39 E40 V91 V95 L189 E190	F39-K93 WeakPolarHBondContact CA-O 3.49Å; E40-K93 HydrophobicContact CB-CB 4.19Å; E40-K93 HydrophobicContact CB-CD 4.36Å; E40-K93 PolarHBondContact N-O 2.84Å; E40-K93 WeakPolarHBondContact O-CB 3.41Å; E40-K93 PolarHBondContact O-N 3.05Å; E40-K93 IonicContact OE1-NZ 2.74Å; E40-K93 PolarHBondContact OE1-NZ 2.95Å; V91-K93 HydrophobicContact CG1-CG 4.46Å; K93-V95 HydrophobicContact CB-CG2 3.87Å; K93-L189 CarbonylContact C-O 3.53Å; K93-L189 VanDerWaalsContact CA-O 3.26Å; K93-L189 WeakPolarHBondContact CA-O 3.35Å; K93-E190 HydrophobicContact CD-CG 4.31Å; K93-E190 HydrophobicContact CG-CG 4.1Å
94	V	92.6	Very high	75.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.6	163.8	-173.4	0	0	0	0	107.6	W37 F39 F48 R188 L189 I210 I213	W37-V94 HydrophobicContact CB-CG1 4.43Å; W37-V94 HydrophobicContact CE3-CG1 3.98Å; F39-V94 HydrophobicContact CD1-CB 4.41Å; F39-V94 HydrophobicContact CD1-CG1 4.18Å; F39-V94 HydrophobicContact CD1-CG2 3.98Å; F39-V94 HydrophobicContact CE1-CG1 4.03Å; F39-V94 HydrophobicContact CE1-CG2 4.02Å; F48-V94 HydrophobicContact CB-CG2 4.42Å; F48-V94 HydrophobicContact CD1-CG2 4.06Å; F48-V94 HydrophobicContact CD2-CG2 3.52Å; F48-V94 HydrophobicContact CE1-CG2 4.18Å; F48-V94 HydrophobicContact CE2-CG2 3.65Å; F48-V94 HydrophobicContact CG-CG2 3.74Å; F48-V94 HydrophobicContact CZ-CG2 3.99Å; V94-R188 WeakPolarHBondContact O-CA 3.44Å; V94-L189 HydrophobicContact CB-CB 4.24Å; V94-L189 HydrophobicContact CB-CD1 4.48Å; V94-L189 PolarHBondContact N-O 3.14Å; V94-L189 PolarHBondContact O-N 3.15Å; V94-I210 HydrophobicContact CG2-CD1 4.26Å; V94-I213 HydrophobicContact CG1-CD1 4.18Å
95	V	92.3	Very high	74.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	-164.2	-176.4	0	0	0	0	110.7	W37 H38 E40 K93 R186 R188	W37-V95 CarbonylContact C-O 3.54Å; W37-V95 VanDerWaalsContact CA-O 3.29Å; W37-V95 WeakPolarHBondContact CA-O 3.35Å; H38-V95 VanDerWaalsContact CE1-CG1 3.48Å; H38-V95 WeakPolarHBondContact CE1-CG1 3.49Å; H38-V95 PolarHBondContact N-O 3.18Å; H38-V95 PolarHBondContact ND1-O 3.13Å; H38-V95 PolarHBondContact O-N 2.65Å; E40-V95 HydrophobicContact CB-CG2 4.12Å; K93-V95 HydrophobicContact CB-CG2 3.87Å; V95-R186 HydrophobicContact CG1-CG 4.47Å; V95-R188 HydrophobicContact CG1-CG 4.12Å; V95-R188 HydrophobicContact CG2-CB 4.49Å; V95-R188 HydrophobicContact CG2-CG 4.13Å
96	S	91.1	Very high	75.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-76.5	162.8	177	84.3	0	0	0	0	111.5	W37 Y99 I187	W37-S96 VanDerWaalsContact CE3-N 3.33Å; S96-Y99 WeakPolarHBondContact OG-CE2 3.43Å; S96-I187 PolarHBondContact N-O 3.19Å; S96-I187 PolarHBondContact OG-N 2.91Å; S96-I187 PolarHBondContact OG-O 2.76Å
97	P	87.3	Confident	76.3	Confident	20 Å²	20	35.5 Å²	35.5	13%	0.13	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-62.1	165.3	161.1	30.1	-35.6	0	0	0	110.5	A26 Y99 R186 V222	A26-P97 HydrophobicContact CB-CG 4.33Å; P97-Y99 HydrophobicContact CG-CE1 4.17Å; P97-Y99 WeakPolarHBondContact O-CE2 3.26Å; P97-R186 WeakPolarHBondContact O-CB 3.29Å; P97-V222 HydrophobicContact CB-CG1 4.14Å; P97-V222 HydrophobicContact CG-CG2 4.37Å
98	F	83.1	Confident	77.7	Confident	47 Å²	47	30.8 Å²	30.8	21%	0.206	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-72.4	133.1	169.3	-74.8	-83.1	0	0	0	109.7	L129 M185 R186 Y223	F98-L129 HydrophobicContact CB-CD1 4.32Å; F98-L129 HydrophobicContact CD1-CB 4.32Å; F98-L129 HydrophobicContact CD1-CD1 3.67Å; F98-L129 HydrophobicContact CD1-CG 4.46Å; F98-L129 HydrophobicContact CD2-CD1 3.86Å; F98-L129 HydrophobicContact CE1-CB 4.03Å; F98-L129 HydrophobicContact CE1-CD1 3.84Å; F98-L129 HydrophobicContact CE1-CG 4.2Å; F98-L129 HydrophobicContact CE2-CD1 4.01Å; F98-L129 HydrophobicContact CG-CD1 3.69Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; F98-L129 HydrophobicContact CZ-CG 4.32Å; F98-M185 CarbonylContact C-O 3.5Å; F98-M185 WeakPolarHBondContact CA-O 3.38Å; F98-R186 HydrophobicContact CD1-CB 3.84Å; F98-R186 HydrophobicContact CD1-CG 4.05Å; F98-R186 HydrophobicContact CE1-CB 4.02Å; F98-R186 HydrophobicContact CE1-CG 3.68Å; F98-R186 HydrophobicContact CE2-CG 4.45Å; F98-R186 HydrophobicContact CG-CB 4.15Å; F98-R186 HydrophobicContact CZ-CB 4.5Å; F98-R186 HydrophobicContact CZ-CG 3.92Å; F98-Y223 WeakPolarHBondContact O-CB 3.4Å; F98-Y223 PolarHBondContact O-N 2.82Å
99	Y	78.4	Confident	78.8	Confident	6 Å²	6	28.1 Å²	28.1	2%	0.024	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-102	143.7	170.7	-57.8	-74.3	0	0	0	108.8	A26 S96 P97 P184 M185 I187 L215 E220	A26-Y99 HydrophobicContact CB-CE1 4.43Å; A26-Y99 PolarHBondContact O-OH 3.14Å; S96-Y99 WeakPolarHBondContact OG-CE2 3.43Å; P97-Y99 HydrophobicContact CG-CE1 4.17Å; P97-Y99 WeakPolarHBondContact O-CE2 3.26Å; Y99-P184 CarbonylContact O-C 3.59Å; Y99-P184 WeakPolarHBondContact O-CA 3.47Å; Y99-M185 PolarHBondContact N-O 3.04Å; Y99-M185 PolarHBondContact O-N 2.85Å; Y99-I187 HydrophobicContact CE2-CD1 4.15Å; Y99-L215 HydrophobicContact CE1-CD1 4Å; Y99-L215 HydrophobicContact CE2-CD1 3.84Å; Y99-L215 VanDerWaalsContact CZ-CD1 3.48Å; Y99-L215 WeakPolarHBondContact OH-CD1 3.15Å; Y99-E220 HydrophobicContact CD1-CB 4.07Å; Y99-E220 HydrophobicContact CG-CB 4.39Å
100	Q	67.6	Low	79.8	Confident	16 Å²	16	23.1 Å²	23.1	8%	0.075	11%	0.113	C	C	.	.	S	Bend	trans	-63.9	-42.9	-175.7	-108.9	160.6	18.3	0	0	113.5	W183 E221 Y223 Q224	Q100-W183 CarbonylContact O-C 3.56Å; Q100-E221 PolarHBondContact N-O 3.22Å; Q100-Y223 HydrophobicContact CG-CD2 3.65Å; Q100-Y223 HydrophobicContact CG-CG 4.34Å; Q100-Q224 PolarHBondContact NE2-O 3.11Å
101	H	62.1	Low	80	Confident	13 Å²	13	24.7 Å²	24.7	6%	0.06	12%	0.12	C	C	.	.			trans	-159.7	167.5	-178.7	67	-61.6	0	0	0	106.6	F181 E220 K235 E246	H101-F181 VanDerWaalsContact CA-O 3.25Å; H101-F181 WeakPolarHBondContact CA-O 3.26Å; H101-F181 WeakPolarHBondContact CB-O 3.15Å; H101-E220 WeakPolarHBondContact O-CG 3.34Å; H101-K235 PolarHBondContact CE1-NZ 3.24Å; H101-K235 PolarHBondContact ND1-NZ 2.95Å; H101-E246 IonicContact CD2-OE1 3.25Å; H101-E246 IonicContact CE1-OE1 2.74Å; H101-E246 IonicContact NE2-OE1 3.27Å; H101-E246 PolarHBondContact NE2-OE1 2.94Å
102	T	64.3	Low	80.1	Confident	9 Å²	9	23.6 Å²	23.6	6%	0.055	11%	0.111	C	C	.	.			trans	-126.8	154.1	169.6	54.7	0	0	0	0	111.7	I178 G179 Q180 F181 E220	T102-I178 HydrophobicContact CG2-CG2 4.18Å; T102-G179 WeakPolarHBondContact CB-O 3.28Å; T102-G179 PolarHBondContact OG1-O 2.73Å; T102-Q180 WeakPolarHBondContact O-CA 3.28Å; T102-Q180 WeakPolarHBondContact O-CB 3.49Å; T102-Q180 VanDerWaalsContact O-CD 3.32Å; T102-Q180 WeakPolarHBondContact O-CG 3.49Å; T102-Q180 PolarHBondContact O-NE2 3.46Å; T102-Q180 VanDerWaalsContact O-NE2 3.17Å; T102-Q180 WeakPolarHBondContact OG1-CA 3.43Å; T102-F181 PolarHBondContact N-O 3.08Å; T102-F181 WeakPolarHBondContact OG1-CD2 3.44Å; T102-F181 PolarHBondContact OG1-N 2.93Å; T102-E220 WeakPolarHBondContact CA-OE1 3.48Å; T102-E220 WeakPolarHBondContact CB-OE1 3.1Å; T102-E220 HydrophobicContact CG2-CG 3.77Å
103	V	61	Low	79.7	Confident	15 Å²	15	25 Å²	25	9%	0.091	12%	0.117	C	C	.	.			trans	-85	158.7	176	-66.8	0	0	0	0	112.4	H105 C106 G179 D217 E219 E220	V103-H105 PolarHBondContact O-N 3.2Å; V103-C106 HydrophobicContact CG2-CB 3.86Å; V103-C106 WeakPolarHBondContact O-CB 3.29Å; V103-C106 PolarHBondContact O-N 3.41Å; V103-G179 CarbonylContact O-C 3.57Å; V103-D217 WeakPolarHBondContact CG2-O 3.36Å; V103-E219 HydrophobicContact CG1-CB 4.12Å; V103-E219 HydrophobicContact CG1-CG 4.43Å; V103-E220 PolarHBondContact N-OE1 2.98Å
104	T	57.4	Low	79.1	Confident	36 Å²	36	23.7 Å²	23.7	22%	0.221	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	-174.6	52.6	0	0	0	0	114.6	Q180	T104-Q180 HydrophobicContact CG2-CB 3.86Å
105	H	66	Low	78.4	Confident	94 Å²	94	24.7 Å²	24.7	44%	0.435	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.5	-177	43.8	-83.1	0	0	0	112.9	V103 K107 D217	V103-H105 PolarHBondContact O-N 3.2Å; H105-K107 PolarHBondContact O-N 3.41Å; H105-D217 PolarHBondContact CD2-O 2.03Å
106	C	74.6	Confident	77.4	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.118	C	C	.	.			trans	-65.9	130	-179.6	179.2	0	0	0	0	111.4	V103 I178 G179 D217 C218 E220	V103-C106 HydrophobicContact CG2-CB 3.86Å; V103-C106 WeakPolarHBondContact O-CB 3.29Å; V103-C106 PolarHBondContact O-N 3.41Å; C106-I178 PolarHBondContact O-N 2.77Å; C106-G179 PolarHBondContact O-N 2.83Å; C106-D217 WeakPolarHBondContact CA-O 3.44Å; C106-C218 WeakPolarHBondContact CA-SG 3.11Å; C106-C218 HydrophobicContact CB-CB 4.08Å; C106-C218 WeakPolarHBondContact CB-SG 3.29Å; C106-C218 WeakPolarHBondContact SG-CB 3.39Å; C106-C218 CovalentContact SG-SG 2.05Å; C106-C218 PolarHBondContact SG-SG 2.83Å; C106-E220 WeakPolarHBondContact CB-OE1 3.42Å; C106-E220 PolarHBondContact SG-OE1 2.89Å
107	K	81.8	Confident	76.3	Confident	76 Å²	76	28 Å²	28	33%	0.33	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.4	-177.7	-66.6	170.6	-166.3	170.9	0	110.6	H105 V175 V176 V216 C218	H105-K107 PolarHBondContact O-N 3.41Å; K107-V175 HydrophobicContact CB-CG1 3.85Å; K107-V175 HydrophobicContact CD-CG1 3.9Å; K107-V175 HydrophobicContact CG-CG1 4.18Å; K107-V176 CarbonylContact C-O 3.55Å; K107-V176 WeakPolarHBondContact CA-O 3.44Å; K107-V216 PolarHBondContact N-O 2.78Å; K107-V216 PolarHBondContact O-N 3Å; K107-C218 PolarHBondContact N-SG 3.13Å
108	L	88.1	Confident	75.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.1	165.5	-173.3	68.1	0	0	0	109.2	W37 F110 V124 V175 V176 I178 I187 L189 I213 L215	W37-L108 HydrophobicContact CH2-CD1 4.16Å; W37-L108 HydrophobicContact CZ2-CD1 4.41Å; L108-F110 HydrophobicContact CD2-CD1 3.96Å; L108-F110 HydrophobicContact CD2-CE1 4.11Å; L108-F110 HydrophobicContact CG-CD1 3.98Å; L108-V124 HydrophobicContact CD2-CG1 4Å; L108-V175 CarbonylContact O-C 3.55Å; L108-V175 VanDerWaalsContact O-CA 3.32Å; L108-V175 WeakPolarHBondContact O-CA 3.36Å; L108-V176 HydrophobicContact CB-CB 4.41Å; L108-V176 PolarHBondContact N-O 3.45Å; L108-V176 PolarHBondContact O-N 3.32Å; L108-I178 HydrophobicContact CB-CD1 3.98Å; L108-I178 HydrophobicContact CB-CG1 4.16Å; L108-I187 HydrophobicContact CD1-CD1 4.34Å; L108-I187 HydrophobicContact CD2-CG2 3.94Å; L108-L189 HydrophobicContact CD2-CD2 4.24Å; L108-I213 HydrophobicContact CD1-CG2 3.87Å; L108-L215 HydrophobicContact CB-CD2 4.44Å; L108-L215 HydrophobicContact CD1-CD2 3.83Å; L108-L215 HydrophobicContact CD1-CG 4.31Å
109	K	88.1	Confident	74.7	Confident	61 Å²	61	38 Å²	38	27%	0.265	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.9	173.4	-179.1	173.4	-177.8	176	0	108.9	E173 E174 V175 I213 N214 V216	K109-E173 WeakPolarHBondContact CE-OE1 3.36Å; K109-E173 WeakPolarHBondContact CE-OE2 3.38Å; K109-E173 IonicContact NZ-OE1 3.97Å; K109-E173 PolarHBondContact NZ-OE1 2.78Å; K109-E173 IonicContact NZ-OE2 2.8Å; K109-E173 PolarHBondContact NZ-OE2 3.08Å; K109-E174 WeakPolarHBondContact CA-O 3.36Å; K109-V175 HydrophobicContact CB-CG2 4.38Å; K109-V175 HydrophobicContact CD-CG2 4.44Å; K109-V175 HydrophobicContact CG-CG2 4.11Å; K109-I213 CarbonylContact O-C 3.53Å; K109-N214 HydrophobicContact CB-CB 4.49Å; K109-N214 PolarHBondContact N-O 2.82Å; K109-N214 PolarHBondContact O-N 2.89Å; K109-V216 HydrophobicContact CB-CG2 3.72Å; K109-V216 HydrophobicContact CD-CG2 4.13Å
110	F	90.7	Very high	74.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	159.4	176.6	64.5	-82.3	0	0	0	111.6	L108 Y112 L122 V124 F145 E174 V176 L189 I210 N212 I213	L108-F110 HydrophobicContact CD2-CD1 3.96Å; L108-F110 HydrophobicContact CD2-CE1 4.11Å; L108-F110 HydrophobicContact CG-CD1 3.98Å; F110-Y112 HydrophobicContact CD2-CD1 4.48Å; F110-Y112 AromaticContact CE2-CD1 3.94Å; F110-Y112 HydrophobicContact CE2-CD1 3.94Å; F110-Y112 HydrophobicContact CE2-CG 4.05Å; F110-L122 HydrophobicContact CE2-CD2 3.78Å; F110-L122 HydrophobicContact CZ-CD2 4.31Å; F110-V124 HydrophobicContact CE1-CG2 4.29Å; F110-V124 HydrophobicContact CZ-CG2 4.3Å; F110-F145 HydrophobicContact CE1-CE2 4.37Å; F110-F145 HydrophobicContact CZ-CD2 4.35Å; F110-F145 AromaticContact CZ-CE2 3.63Å; F110-F145 HydrophobicContact CZ-CE2 3.63Å; F110-F145 HydrophobicContact CZ-CZ 4.02Å; F110-E174 HydrophobicContact CE1-CB 4.31Å; F110-E174 HydrophobicContact CZ-CB 4.18Å; F110-E174 PolarHBondContact N-O 3.37Å; F110-E174 PolarHBondContact O-N 3.38Å; F110-V176 HydrophobicContact CE1-CG2 4.01Å; F110-L189 HydrophobicContact CE1-CD2 4.25Å; F110-L189 HydrophobicContact CE2-CD2 4.48Å; F110-L189 HydrophobicContact CZ-CD2 4.17Å; F110-I210 HydrophobicContact CD2-CG2 4.45Å; F110-N212 WeakPolarHBondContact CA-O 3.44Å; F110-I213 HydrophobicContact CB-CG1 4.17Å
111	H	86.3	Confident	75.7	Confident	40 Å²	40	40.2 Å²	40.2	19%	0.185	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.2	171.4	-67.5	79.1	0	0	0	109.4	W171 T172 E173 I210 D211 N212	H111-W171 HydrophobicContact CB-CE3 4.1Å; H111-T172 WeakPolarHBondContact CA-O 3.33Å; H111-E173 IonicContact CE1-OE2 3.91Å; H111-E173 PolarHBondContact CE1-OE2 2.87Å; H111-E173 VanDerWaalsContact CE1-OE2 3.25Å; H111-E173 IonicContact NE2-OE2 3.89Å; H111-E173 PolarHBondContact NE2-OE2 3.34Å; H111-I210 CarbonylContact O-C 3.44Å; H111-I210 WeakPolarHBondContact O-CA 3.28Å; H111-D211 HydrophobicContact CB-CB 4.48Å; H111-D211 WeakPolarHBondContact CB-O 3.49Å; H111-D211 PolarHBondContact N-O 3.45Å; H111-D211 PolarHBondContact O-N 3.05Å; H111-N212 WeakPolarHBondContact ND1-CB 2.99Å
112	Y	87.7	Confident	77	Confident	19 Å²	19	39.6 Å²	39.6	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162	175.2	81.9	-66.7	0	0	0	112.4	F110 L114 L122 F145 T172 E174 M209	F110-Y112 HydrophobicContact CD2-CD1 4.48Å; F110-Y112 AromaticContact CE2-CD1 3.94Å; F110-Y112 HydrophobicContact CE2-CD1 3.94Å; F110-Y112 HydrophobicContact CE2-CG 4.05Å; Y112-L114 HydrophobicContact CD2-CB 3.98Å; Y112-L114 HydrophobicContact CE2-CB 3.96Å; Y112-L122 HydrophobicContact CD2-CD2 3.69Å; Y112-L122 HydrophobicContact CE2-CD2 4.42Å; Y112-L122 HydrophobicContact CG-CD2 3.88Å; Y112-F145 HydrophobicContact CE2-CB 3.97Å; Y112-F145 HydrophobicContact CE2-CG 4.48Å; Y112-T172 WeakPolarHBondContact CD1-O 3.33Å; Y112-T172 HydrophobicContact CE1-CG2 3.79Å; Y112-T172 PolarHBondContact N-O 2.83Å; Y112-T172 PolarHBondContact O-N 2.92Å; Y112-E174 HydrophobicContact CD1-CG 3.98Å; Y112-E174 HydrophobicContact CE1-CB 4.34Å; Y112-E174 HydrophobicContact CE1-CG 3.36Å; Y112-M209 CarbonylContact C-O 3.51Å; Y112-M209 WeakPolarHBondContact CA-O 3.48Å
113	R	81.6	Confident	78.1	Confident	30 Å²	30	39.3 Å²	39.3	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.1	168.2	176.9	171.3	170.4	174.9	-2.8	108	F169 W171 C208 M209	R113-F169 PolarHBondContact NH1-O 2.82Å; R113-F169 VanDerWaalsContact NH2-CB 3.32Å; R113-W171 HydrophobicContact CB-CE3 4.35Å; R113-W171 HydrophobicContact CB-CZ3 4.47Å; R113-C208 CarbonylContact O-C 3.54Å; R113-C208 WeakPolarHBondContact O-CA 3.44Å; R113-M209 HydrophobicContact CB-CB 4.25Å; R113-M209 HydrophobicContact CB-SD 3.81Å; R113-M209 VanDerWaalsContact CD-SD 3.54Å; R113-M209 HydrophobicContact CG-SD 3.68Å; R113-M209 PolarHBondContact N-O 3.17Å; R113-M209 PolarHBondContact O-N 2.81Å
114	L	80.1	Confident	79.4	Confident	15 Å²	15	38.6 Å²	38.6	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.2	-179.6	-172.7	69.5	0	0	0	109.9	Y112 T120 L122 F145 L193 C208	Y112-L114 HydrophobicContact CD2-CB 3.98Å; Y112-L114 HydrophobicContact CE2-CB 3.96Å; L114-T120 HydrophobicContact CD1-CG2 3.66Å; L114-T120 HydrophobicContact CD2-CG2 4.12Å; L114-T120 HydrophobicContact CG-CG2 3.84Å; L114-L122 HydrophobicContact CD2-CB 4.04Å; L114-F145 VanDerWaalsContact CD2-O 3.29Å; L114-F145 WeakPolarHBondContact CD2-O 3.41Å; L114-L193 HydrophobicContact CD1-CD2 4.09Å; L114-C208 HydrophobicContact CD1-CB 3.69Å
115	H	75.8	Confident	80.8	Confident	20 Å²	20	37.2 Å²	37.2	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.9	178.5	-177.6	-86.2	0	0	0	109.8	G150 V152 A206 D207	H115-G150 PolarHBondContact CE1-O 3.05Å; H115-G150 PolarHBondContact NE2-O 3.29Å; H115-V152 WeakPolarHBondContact CE1-CG2 3.46Å; H115-A206 CarbonylContact O-C 3.53Å; H115-A206 VanDerWaalsContact O-CA 3.29Å; H115-A206 WeakPolarHBondContact O-CA 3.43Å; H115-D207 PolarHBondContact N-O 3.24Å; H115-D207 PolarHBondContact O-N 2.96Å
116	G	72.9	Confident	81.6	Confident	4 Å²	4	32.9 Å²	32.9	4%	0.041	15%	0.153	C	C	.	.			trans	165.1	179.9	176.3	0	0	0	0	0	112.3	S147	G116-S147 PolarHBondContact O-OG 3.12Å; G116-S147 VanDerWaalsContact O-OG 3.07Å
117	M	67.3	Low	82	Confident	67 Å²	67	34.8 Å²	34.8	33%	0.33	16%	0.162	S	C	.	.	S	Bend	trans	-63.4	165	175	-75.6	-83.9	-95.1	0	0	111.6	R119 T120 S147	M117-R119 PolarHBondContact O-N 3.3Å; M117-T120 VanDerWaalsContact O-CB 3.31Å; M117-T120 WeakPolarHBondContact O-CB 3.21Å; M117-T120 PolarHBondContact O-N 2.82Å; M117-T120 PolarHBondContact O-OG1 2.9Å; M117-S147 PolarHBondContact O-OG 2.81Å; M117-S147 VanDerWaalsContact O-OG 3.14Å
118	P	64.4	Low	81.6	Confident	94 Å²	94	31.6 Å²	31.6	61%	0.61	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	136.2	168.3	-22.1	32.6	0	0	0	110
119	R	71.4	Confident	80.8	Confident	182 Å²	182	34.6 Å²	34.6	69%	0.687	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-3.4	-168.4	-55.2	175	160.2	-179.7	-8.4	116.2	M117 E121 N194	M117-R119 PolarHBondContact O-N 3.3Å; R119-E121 PolarHBondContact O-N 2.78Å; R119-N194 HydrophobicContact CB-CB 3.95Å; R119-N194 WeakPolarHBondContact CD-ND2 3.41Å
120	T	80.2	Confident	79.5	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.172	C	C	.	.			trans	-74.2	120.9	161.1	-67	0	0	0	0	108.7	L114 M117 S147 W192 L193 N194	L114-T120 HydrophobicContact CD1-CG2 3.66Å; L114-T120 HydrophobicContact CD2-CG2 4.12Å; L114-T120 HydrophobicContact CG-CG2 3.84Å; M117-T120 VanDerWaalsContact O-CB 3.31Å; M117-T120 WeakPolarHBondContact O-CB 3.21Å; M117-T120 PolarHBondContact O-N 2.82Å; M117-T120 PolarHBondContact O-OG1 2.9Å; T120-S147 WeakPolarHBondContact O-CB 3.3Å; T120-S147 PolarHBondContact O-N 2.8Å; T120-S147 PolarHBondContact O-OG 2.84Å; T120-W192 CarbonylContact C-O 3.57Å; T120-W192 VanDerWaalsContact CA-O 3.25Å; T120-W192 WeakPolarHBondContact CA-O 3.17Å; T120-L193 HydrophobicContact CG2-CD2 3.51Å; T120-N194 PolarHBondContact OG1-N 2.8Å
121	E	87.5	Confident	77.8	Confident	67 Å²	67	37.1 Å²	37.1	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.8	-176	61.1	-171.3	-178.7	0	0	112.2	R119 V123 T144 F145 W192	R119-E121 PolarHBondContact O-N 2.78Å; E121-V123 HydrophobicContact CG-CG2 4.11Å; E121-T144 HydrophobicContact CB-CG2 3.91Å; E121-T144 HydrophobicContact CG-CG2 4.26Å; E121-T144 WeakPolarHBondContact OE2-CG2 3.12Å; E121-F145 WeakPolarHBondContact CA-O 3.38Å; E121-W192 HydrophobicContact CG-CB 3.86Å; E121-W192 HydrophobicContact CG-CG 4.39Å; E121-W192 PolarHBondContact N-O 3.45Å; E121-W192 PolarHBondContact O-N 2.77Å
122	L	88.9	Confident	75.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.4	169.5	174.8	67.9	0	0	0	108	F110 Y112 L114 T144 F145 L189 E190 A191 I210	F110-L122 HydrophobicContact CE2-CD2 3.78Å; F110-L122 HydrophobicContact CZ-CD2 4.31Å; Y112-L122 HydrophobicContact CD2-CD2 3.69Å; Y112-L122 HydrophobicContact CE2-CD2 4.42Å; Y112-L122 HydrophobicContact CG-CD2 3.88Å; L114-L122 HydrophobicContact CD2-CB 4.04Å; L122-T144 CarbonylContact O-C 3.58Å; L122-T144 WeakPolarHBondContact O-CA 3.39Å; L122-F145 HydrophobicContact CB-CB 4.26Å; L122-F145 HydrophobicContact CB-CD2 4.42Å; L122-F145 HydrophobicContact CD2-CD2 4.34Å; L122-F145 HydrophobicContact CG-CD2 4.32Å; L122-F145 PolarHBondContact N-O 3.3Å; L122-F145 WeakPolarHBondContact O-CD2 3.36Å; L122-F145 PolarHBondContact O-N 2.8Å; L122-L189 HydrophobicContact CD1-CB 4.4Å; L122-E190 WeakPolarHBondContact CA-O 3.3Å; L122-A191 HydrophobicContact CD1-CB 4.3Å; L122-I210 HydrophobicContact CD1-CD1 3.97Å; L122-I210 HydrophobicContact CD2-CD1 4.47Å
123	V	88.9	Confident	74.1	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.3	-174.7	-170.9	0	0	0	0	109.8	E121 V125 Q141 T144 L189 E190	E121-V123 HydrophobicContact CG-CG2 4.11Å; V123-V125 HydrophobicContact CB-CG2 4.29Å; V123-V125 HydrophobicContact CG1-CG2 3.58Å; V123-Q141 HydrophobicContact CG1-CG 3.5Å; V123-T144 HydrophobicContact CG2-CG2 4.06Å; V123-L189 CarbonylContact O-C 3.56Å; V123-L189 WeakPolarHBondContact O-CA 3.33Å; V123-E190 HydrophobicContact CB-CB 4.38Å; V123-E190 PolarHBondContact N-O 3.5Å; V123-E190 PolarHBondContact O-N 3.41Å
124	V	88.7	Confident	72.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.4	169.3	-167.3	0	0	0	0	108.5	L108 F110 L142 K143 F145 V176 I187 L189	L108-V124 HydrophobicContact CD2-CG1 4Å; F110-V124 HydrophobicContact CE1-CG2 4.29Å; F110-V124 HydrophobicContact CZ-CG2 4.3Å; V124-L142 HydrophobicContact CB-CB 4.33Å; V124-L142 HydrophobicContact CG1-CB 4.49Å; V124-L142 HydrophobicContact CG1-CD1 4.05Å; V124-L142 PolarHBondContact O-N 3.41Å; V124-K143 PolarHBondContact N-O 3.3Å; V124-F145 HydrophobicContact CG2-CE2 3.73Å; V124-V176 HydrophobicContact CG2-CG2 4.21Å; V124-I187 HydrophobicContact CG1-CG2 4.05Å; V124-L189 HydrophobicContact CB-CD2 4.49Å; V124-L189 HydrophobicContact CG1-CD2 4.35Å; V124-L189 HydrophobicContact CG2-CD2 3.84Å
125	V	85.8	Confident	70.8	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	-175.6	-175.9	0	0	0	0	109.6	V123 P139 M140 I187 R188 E190	V123-V125 HydrophobicContact CB-CG2 4.29Å; V123-V125 HydrophobicContact CG1-CG2 3.58Å; V125-P139 HydrophobicContact CG1-CB 3.56Å; V125-M140 CarbonylContact C-O 3.47Å; V125-M140 WeakPolarHBondContact CA-O 3.47Å; V125-I187 CarbonylContact O-C 3.52Å; V125-R188 HydrophobicContact CB-CB 4.33Å; V125-R188 PolarHBondContact N-O 2.87Å; V125-R188 PolarHBondContact O-N 2.6Å; V125-E190 HydrophobicContact CG2-CG 4.1Å
126	L	82.3	Confident	69.6	Low	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.6	169.9	-67.2	169.2	0	0	0	110	P139 M140 L142 I178 F181 M185 R186 I187	L126-P139 CarbonylContact O-C 3.59Å; L126-P139 VanDerWaalsContact O-CA 3.29Å; L126-P139 WeakPolarHBondContact O-CA 3.04Å; L126-M140 HydrophobicContact CB-CB 4.3Å; L126-M140 PolarHBondContact N-O 2.86Å; L126-M140 PolarHBondContact O-N 3.23Å; L126-L142 HydrophobicContact CD1-CD1 3.56Å; L126-L142 HydrophobicContact CD1-CD2 4.08Å; L126-L142 HydrophobicContact CD1-CG 3.79Å; L126-L142 HydrophobicContact CD2-CD1 4.07Å; L126-L142 HydrophobicContact CG-CD1 3.51Å; L126-L142 HydrophobicContact CG-CG 4.03Å; L126-I178 HydrophobicContact CD1-CG2 4.34Å; L126-I178 HydrophobicContact CD2-CG2 4.19Å; L126-F181 HydrophobicContact CD1-CD2 4.01Å; L126-F181 HydrophobicContact CD1-CE1 4.09Å; L126-F181 HydrophobicContact CD1-CE2 3.14Å; L126-F181 HydrophobicContact CD1-CZ 3.19Å; L126-F181 HydrophobicContact CG-CE2 4.46Å; L126-M185 HydrophobicContact CB-CE 3.74Å; L126-R186 WeakPolarHBondContact CA-O 3.5Å; L126-I187 HydrophobicContact CD2-CG1 3.77Å
127	E	82.9	Confident	68.8	Low	42 Å²	42	69 Å²	69	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128	177.7	180	175.7	-157.3	0	0	109.8	M185 R186 R188	E127-M185 CarbonylContact O-C 3.58Å; E127-M185 VanDerWaalsContact O-CA 3.27Å; E127-M185 WeakPolarHBondContact O-CA 3.37Å; E127-R186 HydrophobicContact CB-CG 4.02Å; E127-R186 PolarHBondContact N-O 3.47Å; E127-R186 PolarHBondContact O-N 2.78Å; E127-R186 IonicContact OE1-NH2 2.92Å; E127-R186 IonicContact OE2-CZ 3.24Å; E127-R186 IonicContact OE2-NE 2.72Å; E127-R186 PolarHBondContact OE2-NE 2.98Å; E127-R186 IonicContact OE2-NH2 3.54Å; E127-R186 PolarHBondContact OE2-NH2 3.44Å; E127-R188 IonicContact OE1-NH1 3.29Å; E127-R188 PolarHBondContact OE1-NH1 3.01Å; E127-R188 WeakPolarHBondContact OE2-CD 2.89Å; E127-R188 IonicContact OE2-CZ 3.81Å; E127-R188 IonicContact OE2-NE 3.16Å; E127-R188 IonicContact OE2-NH1 2.94Å; E127-R188 PolarHBondContact OE2-NH1 3.14Å
128	S	74.1	Confident	68.5	Low	8 Å²	8	70 Å²	70	6%	0.056	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	149.8	172.6	61.6	0	0	0	0	111.1	R137	S128-R137 WeakPolarHBondContact OG-CB 3.42Å
129	L	71.4	Confident	68.6	Low	64 Å²	64	68.8 Å²	68.8	34%	0.335	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-58.8	134.1	169.9	-147.3	121.5	0	0	0	110.3	F98 D131 P184 Y223	F98-L129 HydrophobicContact CB-CD1 4.32Å; F98-L129 HydrophobicContact CD1-CB 4.32Å; F98-L129 HydrophobicContact CD1-CD1 3.67Å; F98-L129 HydrophobicContact CD1-CG 4.46Å; F98-L129 HydrophobicContact CD2-CD1 3.86Å; F98-L129 HydrophobicContact CE1-CB 4.03Å; F98-L129 HydrophobicContact CE1-CD1 3.84Å; F98-L129 HydrophobicContact CE1-CG 4.2Å; F98-L129 HydrophobicContact CE2-CD1 4.01Å; F98-L129 HydrophobicContact CG-CD1 3.69Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; F98-L129 HydrophobicContact CZ-CG 4.32Å; L129-D131 PolarHBondContact O-N 2.81Å; L129-P184 HydrophobicContact CB-CB 4.18Å; L129-P184 HydrophobicContact CD1-CB 4.22Å; L129-P184 PolarHBondContact N-O 2.89Å; L129-Y223 HydrophobicContact CD1-CD1 4.29Å; L129-Y223 HydrophobicContact CD1-CE1 4.21Å
130	P	61.5	Low	68.3	Low	64 Å²	64	61.5 Å²	61.5	42%	0.416	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.1	132.6	176.3	-19.9	30.3	0	0	0	111.1	T136	P130-T136 HydrophobicContact CB-CG2 3.81Å; P130-T136 HydrophobicContact CG-CG2 3.99Å
131	D	53.7	Low	67.9	Low	49 Å²	49	65.1 Å²	65.1	26%	0.262	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-72	161.7	175.1	-178.5	40.8	0	0	0	111.9	L129 S133 N134 Y258	L129-D131 PolarHBondContact O-N 2.81Å; D131-S133 PolarHBondContact O-N 3.18Å; D131-S133 PolarHBondContact OD2-N 2.64Å; D131-S133 PolarHBondContact OD2-OG 2.79Å; D131-N134 WeakPolarHBondContact O-CA 3.07Å; D131-N134 PolarHBondContact O-N 2.89Å; D131-Y258 PolarHBondContact OD1-OH 3.12Å; D131-Y258 PolarHBondContact OD2-OH 3.41Å
132	R	47.5	Very low	67	Low	252 Å²	252	63.5 Å²	63.5	95%	0.951	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.7	174.4	-97.8	-176.6	175.3	-174	-1.4	114	N134	R132-N134 VanDerWaalsContact C-N 3.3Å
133	S	48.6	Very low	66.1	Low	69 Å²	69	65 Å²	65	48%	0.483	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0	173.8	60.6	0	0	0	0	114.2	D131 L135	D131-S133 PolarHBondContact O-N 3.18Å; D131-S133 PolarHBondContact OD2-N 2.64Å; D131-S133 PolarHBondContact OD2-OG 2.79Å; S133-L135 PolarHBondContact O-N 3.15Å; S133-L135 VanDerWaalsContact O-N 3.11Å
134	N	47.3	Very low	65.6	Low	135 Å²	135	65.4 Å²	65.4	72%	0.722	34%	0.337	S	S	*	.			trans	56.5	12.8	-169.9	-76.7	-16.6	0	0	0	114.7	D131 R132 T136	D131-N134 WeakPolarHBondContact O-CA 3.07Å; D131-N134 PolarHBondContact O-N 2.89Å; R132-N134 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.17Å; N134-T136 VanDerWaalsContact O-N 3.07Å
135	L	46.7	Very low	65.3	Low	137 Å²	137	65.8 Å²	65.8	72%	0.717	34%	0.339	S	S	*	.			trans	-75.7	94.8	166	-105.7	86.7	0	0	0	108.8	S133	S133-L135 PolarHBondContact O-N 3.15Å; S133-L135 VanDerWaalsContact O-N 3.11Å
136	T	49.3	Very low	64.9	Low	91 Å²	91	70 Å²	70	56%	0.558	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-71.9	124	168.9	41.4	0	0	0	0	109.1	P130 N134	P130-T136 HydrophobicContact CB-CG2 3.81Å; P130-T136 HydrophobicContact CG-CG2 3.99Å; N134-T136 PolarHBondContact O-N 3.17Å; N134-T136 VanDerWaalsContact O-N 3.07Å
137	R	56.2	Low	64.4	Low	115 Å²	115	70.8 Å²	70.8	43%	0.434	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.8	136.8	166	-61.9	-177	-172.8	-156.8	2.3	107.2	S128 W183	S128-R137 WeakPolarHBondContact OG-CB 3.42Å; R137-W183 VanDerWaalsContact NH1-CH2 3.26Å
138	P	60.8	Low	63.5	Low	86 Å²	86	75.6 Å²	75.6	56%	0.558	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-58.3	136.7	180	22.2	-31.2	0	0	0	109.3	M140	P138-M140 PolarHBondContact O-N 3.16Å
139	P	66.8	Low	62.4	Low	69 Å²	69	79.6 Å²	79.6	45%	0.448	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-58	133.7	178.7	22.1	-30.9	0	0	0	109.9	V125 L126	V125-P139 HydrophobicContact CG1-CB 3.56Å; L126-P139 CarbonylContact O-C 3.59Å; L126-P139 VanDerWaalsContact O-CA 3.29Å; L126-P139 WeakPolarHBondContact O-CA 3.04Å
140	M	64.8	Low	61.2	Low	30 Å²	30	77.8 Å²	77.8	15%	0.148	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.4	-175.3	-179.6	178.3	-177.2	0	0	109.4	V125 L126 P138 F181 Y435	V125-M140 CarbonylContact C-O 3.47Å; V125-M140 WeakPolarHBondContact CA-O 3.47Å; L126-M140 HydrophobicContact CB-CB 4.3Å; L126-M140 PolarHBondContact N-O 2.86Å; L126-M140 PolarHBondContact O-N 3.23Å; P138-M140 PolarHBondContact O-N 3.16Å; M140-F181 HydrophobicContact SD-CE1 3.95Å; M140-F181 HydrophobicContact SD-CZ 4.1Å; M140-Y435 HydrophobicContact CE-CD2 4.11Å; M140-Y435 HydrophobicContact CE-CG 4.1Å; M140-Y435 HydrophobicContact CG-CD2 4.41Å; M140-Y435 HydrophobicContact CG-CE2 4.48Å; M140-Y435 HydrophobicContact SD-CD2 4.49Å; M140-Y435 HydrophobicContact SD-CG 4.39Å
141	Q	72.9	Confident	60.2	Low	76 Å²	76	82 Å²	82	36%	0.355	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.9	171.3	-175.2	164.2	-1.5	0	0	109.3	V123 T144	V123-Q141 HydrophobicContact CG1-CG 3.5Å; Q141-T144 PolarHBondContact NE2-OG1 2.87Å
142	L	67.3	Low	59.8	Low	34 Å²	34	81.8 Å²	81.8	18%	0.178	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-49	-178.8	-85.6	166	0	0	0	112	V124 L126 V176 I178	V124-L142 HydrophobicContact CB-CB 4.33Å; V124-L142 HydrophobicContact CG1-CB 4.49Å; V124-L142 HydrophobicContact CG1-CD1 4.05Å; V124-L142 PolarHBondContact O-N 3.41Å; L126-L142 HydrophobicContact CD1-CD1 3.56Å; L126-L142 HydrophobicContact CD1-CD2 4.08Å; L126-L142 HydrophobicContact CD1-CG 3.79Å; L126-L142 HydrophobicContact CD2-CD1 4.07Å; L126-L142 HydrophobicContact CG-CD1 3.51Å; L126-L142 HydrophobicContact CG-CG 4.03Å; L142-V176 HydrophobicContact CB-CG1 4.13Å; L142-V176 HydrophobicContact CD1-CG1 4.29Å; L142-I178 HydrophobicContact CD1-CG1 4.47Å
143	K	71.1	Confident	59.2	Low	31 Å²	31	71.5 Å²	71.5	14%	0.135	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	146.1	-174	-161.9	172.5	179.9	-166.8	0	110.7	V124 F145 E174 V176	V124-K143 PolarHBondContact N-O 3.3Å; K143-F145 HydrophobicContact CB-CE2 4.44Å; K143-F145 HydrophobicContact CB-CZ 4.35Å; K143-F145 HydrophobicContact CD-CE1 3.77Å; K143-F145 HydrophobicContact CD-CE2 4.45Å; K143-F145 HydrophobicContact CD-CZ 3.59Å; K143-F145 HydrophobicContact CG-CE1 4.16Å; K143-F145 HydrophobicContact CG-CE2 4.37Å; K143-F145 HydrophobicContact CG-CZ 3.93Å; K143-E174 IonicContact NZ-OE2 4Å; K143-E174 PolarHBondContact NZ-OE2 2.76Å; K143-V176 HydrophobicContact CB-CG1 4.16Å; K143-V176 HydrophobicContact CB-CG2 4.43Å; K143-V176 HydrophobicContact CD-CG2 3.97Å
144	T	77.9	Confident	58.7	Low	11 Å²	11	72.7 Å²	72.7	7%	0.067	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.1	178.4	-49.5	0	0	0	0	110.4	E121 L122 V123 Q141	E121-T144 HydrophobicContact CB-CG2 3.91Å; E121-T144 HydrophobicContact CG-CG2 4.26Å; E121-T144 WeakPolarHBondContact OE2-CG2 3.12Å; L122-T144 CarbonylContact O-C 3.58Å; L122-T144 WeakPolarHBondContact O-CA 3.39Å; V123-T144 HydrophobicContact CG2-CG2 4.06Å; Q141-T144 PolarHBondContact NE2-OG1 2.87Å
145	F	81.8	Confident	57.9	Low	8 Å²	8	73.5 Å²	73.5	4%	0.035	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	103.2	179.9	-55.1	-80.1	0	0	0	109.5	F110 Y112 L114 E121 L122 V124 K143 E174 V176	F110-F145 HydrophobicContact CE1-CE2 4.37Å; F110-F145 HydrophobicContact CZ-CD2 4.35Å; F110-F145 AromaticContact CZ-CE2 3.63Å; F110-F145 HydrophobicContact CZ-CE2 3.63Å; F110-F145 HydrophobicContact CZ-CZ 4.02Å; Y112-F145 HydrophobicContact CE2-CB 3.97Å; Y112-F145 HydrophobicContact CE2-CG 4.48Å; L114-F145 VanDerWaalsContact CD2-O 3.29Å; L114-F145 WeakPolarHBondContact CD2-O 3.41Å; E121-F145 WeakPolarHBondContact CA-O 3.38Å; L122-F145 HydrophobicContact CB-CB 4.26Å; L122-F145 HydrophobicContact CB-CD2 4.42Å; L122-F145 HydrophobicContact CD2-CD2 4.34Å; L122-F145 HydrophobicContact CG-CD2 4.32Å; L122-F145 PolarHBondContact N-O 3.3Å; L122-F145 WeakPolarHBondContact O-CD2 3.36Å; L122-F145 PolarHBondContact O-N 2.8Å; V124-F145 HydrophobicContact CG2-CE2 3.73Å; K143-F145 HydrophobicContact CB-CE2 4.44Å; K143-F145 HydrophobicContact CB-CZ 4.35Å; K143-F145 HydrophobicContact CD-CE1 3.77Å; K143-F145 HydrophobicContact CD-CE2 4.45Å; K143-F145 HydrophobicContact CD-CZ 3.59Å; K143-F145 HydrophobicContact CG-CE1 4.16Å; K143-F145 HydrophobicContact CG-CE2 4.37Å; K143-F145 HydrophobicContact CG-CZ 3.93Å; F145-E174 HydrophobicContact CD1-CG 4.12Å; F145-E174 HydrophobicContact CE1-CB 4.06Å; F145-E174 VanDerWaalsContact CE1-CD 3.41Å; F145-E174 HydrophobicContact CE1-CG 3.54Å; F145-E174 WeakPolarHBondContact CE1-OE2 3.25Å; F145-E174 HydrophobicContact CZ-CB 4.02Å; F145-E174 HydrophobicContact CZ-CG 4Å; F145-V176 HydrophobicContact CE2-CG2 4.29Å; F145-V176 HydrophobicContact CZ-CG2 3.77Å
146	P	77.8	Confident	57	Low	96 Å²	96	71.2 Å²	71.2	62%	0.623	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.4	177.5	29.2	-33.8	0	0	0	111.3
147	S	71.7	Confident	56.2	Low	20 Å²	20	73.2 Å²	73.2	14%	0.14	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-62.9	145.3	174.9	68.2	0	0	0	0	111.9	G116 M117 T120 A149	G116-S147 PolarHBondContact O-OG 3.12Å; G116-S147 VanDerWaalsContact O-OG 3.07Å; M117-S147 PolarHBondContact O-OG 2.81Å; M117-S147 VanDerWaalsContact O-OG 3.14Å; T120-S147 WeakPolarHBondContact O-CB 3.3Å; T120-S147 PolarHBondContact O-N 2.8Å; T120-S147 PolarHBondContact O-OG 2.84Å; S147-A149 PolarHBondContact O-N 2.74Å
148	K	64	Low	55	Low	142 Å²	142	75.8 Å²	75.8	62%	0.617	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-76.1	117.2	164.4	-69.7	178.6	-177.6	169.5	0	107.3	G150	K148-G150 PolarHBondContact O-N 2.79Å
149	A	51.6	Low	53.5	Low	93 Å²	93	80.1 Å²	80.1	77%	0.769	43%	0.425	S	S	*	.			trans	-57.3	112.4	-180	0	0	0	0	0	110.7	S147	S147-A149 PolarHBondContact O-N 2.74Å
150	G	47	Very low	51.7	Low	26 Å²	26	82.6 Å²	82.6	27%	0.268	44%	0.441	S	S	.	.			trans	-127.5	119.2	176.9	0	0	0	0	0	110.2	H115 K148 V152	H115-G150 PolarHBondContact CE1-O 3.05Å; H115-G150 PolarHBondContact NE2-O 3.29Å; K148-G150 PolarHBondContact O-N 2.79Å; G150-V152 PolarHBondContact O-N 2.9Å; G150-V152 VanDerWaalsContact O-N 3.14Å
151	L	40.2	Very low	50.2	Low	152 Å²	152	84.7 Å²	84.7	80%	0.796	45%	0.452	S	S	*	.			trans	-73	98.9	171.2	-103	129.8	0	0	0	108.8	S153	L151-S153 PolarHBondContact O-N 3.22Å
152	V	43.9	Very low	48	Very low	45 Å²	45	84.9 Å²	84.9	27%	0.273	46%	0.46	S	S	.	.			trans	-90	84.8	158.2	-179.1	0	0	0	0	106.7	V68 H115 G150	V68-V152 HydrophobicContact CG2-CG1 3.9Å; H115-V152 WeakPolarHBondContact CE1-CG2 3.46Å; G150-V152 PolarHBondContact O-N 2.9Å; G150-V152 VanDerWaalsContact O-N 3.14Å
153	S	36.1	Very low	46.5	Very low	36 Å²	36	90.1 Å²	90.1	25%	0.252	50%	0.496	S	S	.	.			trans	-77.5	125.6	172.4	169.7	0	0	0	0	109.8	L151 Y155 T156	L151-S153 PolarHBondContact O-N 3.22Å; S153-Y155 PolarHBondContact O-N 3.08Å; S153-Y155 PolarHBondContact OG-N 3.07Å; S153-Y155 VanDerWaalsContact OG-N 3.13Å; S153-T156 PolarHBondContact OG-OG1 2.89Å
154	K	37.7	Very low	44.5	Very low	93 Å²	93	93.4 Å²	93.4	40%	0.404	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.2	171.1	-165.3	167	176.2	175.6	0	113.4	V202 D203	K154-V202 HydrophobicContact CB-CG1 4.04Å; K154-D203 HydrophobicContact CD-CB 3.8Å; K154-D203 IonicContact NZ-OD2 3.7Å; K154-D203 PolarHBondContact NZ-OD2 3.1Å
155	Y	29.6	Very low	42.3	Very low	152 Å²	152	97.6 Å²	97.6	60%	0.596	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	33.9	-168.6	-76.1	-83.5	0	0	0	116.4	S153 Q201 V202	S153-Y155 PolarHBondContact O-N 3.08Å; S153-Y155 PolarHBondContact OG-N 3.07Å; S153-Y155 VanDerWaalsContact OG-N 3.13Å; Y155-Q201 WeakPolarHBondContact CD2-O 3.27Å; Y155-Q201 WeakPolarHBondContact CE2-O 3.24Å; Y155-V202 HydrophobicContact CD2-CG2 4.25Å
156	T	29	Very low	40.1	Very low	89 Å²	89	99.9 Å²	99.9	55%	0.546	57%	0.574	S	S	.	*			trans	-127.6	33.3	174.3	45.1	0	0	0	0	115.2	S153	S153-T156 PolarHBondContact OG-OG1 2.89Å
157	F	32.5	Very low	38.3	Very low	133 Å²	133	101.7 Å²	101.7	58%	0.583	58%	0.578	S	S	*	*			trans	-143	78	169	-68	-63.9	0	0	0	114.4	F159 I161	F157-F159 VanDerWaalsContact C-N 3.32Å; F157-I161 HydrophobicContact CD1-CB 4.49Å; F157-I161 HydrophobicContact CD1-CD1 3.3Å; F157-I161 HydrophobicContact CD1-CG1 3.07Å; F157-I161 HydrophobicContact CD2-CD1 3.57Å; F157-I161 HydrophobicContact CD2-CG1 4.29Å; F157-I161 HydrophobicContact CE1-CB 4.35Å; F157-I161 HydrophobicContact CE1-CD1 3.15Å; F157-I161 HydrophobicContact CE1-CG1 3.13Å; F157-I161 HydrophobicContact CE1-CG2 4.48Å; F157-I161 HydrophobicContact CE2-CD1 3.38Å; F157-I161 HydrophobicContact CE2-CG1 4.29Å; F157-I161 HydrophobicContact CG-CD1 3.53Å; F157-I161 HydrophobicContact CG-CG1 3.73Å; F157-I161 HydrophobicContact CZ-CD1 3.16Å; F157-I161 HydrophobicContact CZ-CG1 3.76Å
158	N	30.4	Very low	36.8	Very low	170 Å²	170	107.6 Å²	107.6	91%	0.909	61%	0.608	S	S	*	*	S	Bend	trans	-95.9	15.1	147.8	-94.5	-0.9	0	0	0	111.9
159	F	28.9	Very low	36.3	Very low	176 Å²	176	104.7 Å²	104.7	77%	0.772	60%	0.595	S	S	*	*	S	Bend	trans	-115.4	136.3	169.4	-76.9	-82.7	0	0	0	109.2	F157 I161	F157-F159 VanDerWaalsContact C-N 3.32Å; F159-I161 PolarHBondContact O-N 3.06Å
160	P	29.7	Very low	36.9	Very low	122 Å²	122	111 Å²	111	79%	0.792	60%	0.599	S	S	*	*			trans	-65.2	109.6	173.2	27.5	-29.6	0	0	0	107.7
161	I	33.5	Very low	38.1	Very low	73 Å²	73	112.6 Å²	112.6	37%	0.374	60%	0.597	S	S	.	*			trans	-64.5	130.5	169.5	-39.4	179.6	0	0	0	106.9	F157 F159 T165	F157-I161 HydrophobicContact CD1-CB 4.49Å; F157-I161 HydrophobicContact CD1-CD1 3.3Å; F157-I161 HydrophobicContact CD1-CG1 3.07Å; F157-I161 HydrophobicContact CD2-CD1 3.57Å; F157-I161 HydrophobicContact CD2-CG1 4.29Å; F157-I161 HydrophobicContact CE1-CB 4.35Å; F157-I161 HydrophobicContact CE1-CD1 3.15Å; F157-I161 HydrophobicContact CE1-CG1 3.13Å; F157-I161 HydrophobicContact CE1-CG2 4.48Å; F157-I161 HydrophobicContact CE2-CD1 3.38Å; F157-I161 HydrophobicContact CE2-CG1 4.29Å; F157-I161 HydrophobicContact CG-CD1 3.53Å; F157-I161 HydrophobicContact CG-CG1 3.73Å; F157-I161 HydrophobicContact CZ-CD1 3.16Å; F157-I161 HydrophobicContact CZ-CG1 3.76Å; F159-I161 PolarHBondContact O-N 3.06Å; I161-T165 VanDerWaalsContact CG2-OG1 3.27Å; I161-T165 WeakPolarHBondContact CG2-OG1 3.25Å
162	P	26.7	Very low	40	Very low	81 Å²	81	107.1 Å²	107.1	53%	0.526	57%	0.57	S	S	.	*			trans	-56.3	147.6	166.4	-16.7	29.1	0	0	0	109.2	S164	P162-S164 PolarHBondContact O-N 3.37Å
163	P	34.6	Very low	41.9	Very low	144 Å²	144	109.5 Å²	109.5	94%	0.935	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	10.9	-179.5	-16.1	29.9	0	0	0	114.9
164	S	29.6	Very low	44.3	Very low	99 Å²	99	109.9 Å²	109.9	69%	0.692	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-1	-168.1	57.6	0	0	0	0	115.2	P162	P162-S164 PolarHBondContact O-N 3.37Å
165	T	32.8	Very low	46.4	Very low	99 Å²	99	108.1 Å²	108.1	61%	0.607	57%	0.573	S	S	*	*			trans	-103.8	56	166.7	62	0	0	0	0	110.5	I161 L167	I161-T165 VanDerWaalsContact CG2-OG1 3.27Å; I161-T165 WeakPolarHBondContact CG2-OG1 3.25Å; T165-L167 PolarHBondContact O-N 2.86Å
166	G	35.1	Very low	48.8	Very low	56 Å²	56	101.1 Å²	101.1	58%	0.577	55%	0.546	S	S	*	.			trans	-65.3	100.1	161.8	0	0	0	0	0	107.6	N168	G166-N168 PolarHBondContact O-N 3.36Å
167	L	39.7	Very low	50.9	Low	134 Å²	134	98.7 Å²	98.7	70%	0.702	53%	0.533	S	S	*	.			trans	-62.7	89.2	161.5	-79.2	161.4	0	0	0	106.3	T165 F169	T165-L167 PolarHBondContact O-N 2.86Å; L167-F169 HydrophobicContact CB-CD2 3.77Å; L167-F169 HydrophobicContact CB-CE2 3.36Å; L167-F169 HydrophobicContact CB-CZ 3.92Å; L167-F169 HydrophobicContact CD1-CE2 3.9Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CD2-CZ 4.25Å; L167-F169 HydrophobicContact CG-CE2 4.12Å; L167-F169 HydrophobicContact CG-CZ 4.29Å; L167-F169 VanDerWaalsContact O-CD2 3.24Å; L167-F169 WeakPolarHBondContact O-CD2 3.38Å; L167-F169 PolarHBondContact O-N 2.85Å
168	N	40.2	Very low	52.9	Low	145 Å²	145	92.7 Å²	92.7	78%	0.775	51%	0.507	S	S	*	.			trans	-67.6	79.3	174	-84.4	-5.3	0	0	0	108.2	G166 R170	G166-N168 PolarHBondContact O-N 3.36Å; N168-R170 VanDerWaalsContact C-N 3.27Å; N168-R170 PolarHBondContact O-N 2.89Å
169	F	54	Low	54.4	Low	81 Å²	81	85.5 Å²	85.5	36%	0.355	47%	0.472	S	S	.	.			trans	-72.8	87.4	171.3	-70.6	-72.1	0	0	0	108.6	R113 L167	R113-F169 PolarHBondContact NH1-O 2.82Å; R113-F169 VanDerWaalsContact NH2-CB 3.32Å; L167-F169 HydrophobicContact CB-CD2 3.77Å; L167-F169 HydrophobicContact CB-CE2 3.36Å; L167-F169 HydrophobicContact CB-CZ 3.92Å; L167-F169 HydrophobicContact CD1-CE2 3.9Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CD2-CZ 4.25Å; L167-F169 HydrophobicContact CG-CE2 4.12Å; L167-F169 HydrophobicContact CG-CZ 4.29Å; L167-F169 VanDerWaalsContact O-CD2 3.24Å; L167-F169 WeakPolarHBondContact O-CD2 3.38Å; L167-F169 PolarHBondContact O-N 2.85Å
170	R	62.8	Low	56	Low	224 Å²	224	78.1 Å²	78.1	85%	0.845	44%	0.44	S	S	*	.			trans	-69.4	142.1	-179.8	-156.5	173.5	-173.4	172.8	1.1	110.6	N168	N168-R170 VanDerWaalsContact C-N 3.27Å; N168-R170 PolarHBondContact O-N 2.89Å
171	W	73.3	Confident	57.5	Low	61 Å²	61	73.4 Å²	73.4	23%	0.231	41%	0.408	C	S	.	.			trans	-54.6	139	168	-72.7	97	0	0	0	110.5	Y79 H111 R113 M209 D211	Y79-W171 HydrophobicContact CD2-CH2 4.39Å; Y79-W171 HydrophobicContact CG-CH2 4.23Å; H111-W171 HydrophobicContact CB-CE3 4.1Å; R113-W171 HydrophobicContact CB-CE3 4.35Å; R113-W171 HydrophobicContact CB-CZ3 4.47Å; W171-M209 HydrophobicContact CH2-CB 3.79Å; W171-M209 HydrophobicContact CZ3-CB 4.06Å; W171-D211 HydrophobicContact CH2-CB 4.03Å; W171-D211 HydrophobicContact CZ3-CB 3.97Å
172	T	79.8	Confident	58.4	Low	36 Å²	36	70.8 Å²	70.8	22%	0.221	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.2	175.3	-52.2	0	0	0	0	108.3	H111 Y112 E174	H111-T172 WeakPolarHBondContact CA-O 3.33Å; Y112-T172 WeakPolarHBondContact CD1-O 3.33Å; Y112-T172 HydrophobicContact CE1-CG2 3.79Å; Y112-T172 PolarHBondContact N-O 2.83Å; Y112-T172 PolarHBondContact O-N 2.92Å; T172-E174 HydrophobicContact CG2-CG 4.41Å
173	E	84.3	Confident	60.1	Low	95 Å²	95	70.2 Å²	70.2	44%	0.444	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.7	172.4	-172.6	-178.4	92.3	0	0	108.5	K109 H111	K109-E173 WeakPolarHBondContact CE-OE1 3.36Å; K109-E173 WeakPolarHBondContact CE-OE2 3.38Å; K109-E173 IonicContact NZ-OE1 3.97Å; K109-E173 PolarHBondContact NZ-OE1 2.78Å; K109-E173 IonicContact NZ-OE2 2.8Å; K109-E173 PolarHBondContact NZ-OE2 3.08Å; H111-E173 IonicContact CE1-OE2 3.91Å; H111-E173 PolarHBondContact CE1-OE2 2.87Å; H111-E173 VanDerWaalsContact CE1-OE2 3.25Å; H111-E173 IonicContact NE2-OE2 3.89Å; H111-E173 PolarHBondContact NE2-OE2 3.34Å
174	E	85.9	Confident	61.8	Low	45 Å²	45	64.8 Å²	64.8	21%	0.21	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.7	175.8	-75.2	-72.8	166.8	0	0	111.1	K109 F110 Y112 K143 F145 T172	K109-E174 WeakPolarHBondContact CA-O 3.36Å; F110-E174 HydrophobicContact CE1-CB 4.31Å; F110-E174 HydrophobicContact CZ-CB 4.18Å; F110-E174 PolarHBondContact N-O 3.37Å; F110-E174 PolarHBondContact O-N 3.38Å; Y112-E174 HydrophobicContact CD1-CG 3.98Å; Y112-E174 HydrophobicContact CE1-CB 4.34Å; Y112-E174 HydrophobicContact CE1-CG 3.36Å; K143-E174 IonicContact NZ-OE2 4Å; K143-E174 PolarHBondContact NZ-OE2 2.76Å; F145-E174 HydrophobicContact CD1-CG 4.12Å; F145-E174 HydrophobicContact CE1-CB 4.06Å; F145-E174 VanDerWaalsContact CE1-CD 3.41Å; F145-E174 HydrophobicContact CE1-CG 3.54Å; F145-E174 WeakPolarHBondContact CE1-OE2 3.25Å; F145-E174 HydrophobicContact CZ-CB 4.02Å; F145-E174 HydrophobicContact CZ-CG 4Å; T172-E174 HydrophobicContact CG2-CG 4.41Å
175	V	81.5	Confident	64	Low	56 Å²	56	60.8 Å²	60.8	34%	0.339	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.8	173.6	-175.4	0	0	0	0	107.9	K107 L108 K109	K107-V175 HydrophobicContact CB-CG1 3.85Å; K107-V175 HydrophobicContact CD-CG1 3.9Å; K107-V175 HydrophobicContact CG-CG1 4.18Å; L108-V175 CarbonylContact O-C 3.55Å; L108-V175 VanDerWaalsContact O-CA 3.32Å; L108-V175 WeakPolarHBondContact O-CA 3.36Å; K109-V175 HydrophobicContact CB-CG2 4.38Å; K109-V175 HydrophobicContact CD-CG2 4.44Å; K109-V175 HydrophobicContact CG-CG2 4.11Å
176	V	80.1	Confident	66.6	Low	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.6	-179.8	-175.8	0	0	0	0	108.5	K107 L108 F110 V124 L142 K143 F145 I178	K107-V176 CarbonylContact C-O 3.55Å; K107-V176 WeakPolarHBondContact CA-O 3.44Å; L108-V176 HydrophobicContact CB-CB 4.41Å; L108-V176 PolarHBondContact N-O 3.45Å; L108-V176 PolarHBondContact O-N 3.32Å; F110-V176 HydrophobicContact CE1-CG2 4.01Å; V124-V176 HydrophobicContact CG2-CG2 4.21Å; L142-V176 HydrophobicContact CB-CG1 4.13Å; L142-V176 HydrophobicContact CD1-CG1 4.29Å; K143-V176 HydrophobicContact CB-CG1 4.16Å; K143-V176 HydrophobicContact CB-CG2 4.43Å; K143-V176 HydrophobicContact CD-CG2 3.97Å; F145-V176 HydrophobicContact CE2-CG2 4.29Å; F145-V176 HydrophobicContact CZ-CG2 3.77Å; V176-I178 PolarHBondContact O-N 2.85Å
177	S	73.9	Confident	69.1	Low	39 Å²	39	55.3 Å²	55.3	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	113.5	171.5	-74.3	0	0	0	0	109.8	D422	S177-D422 PolarHBondContact OG-OD2 2.95Å
178	I	74.7	Confident	71.6	Confident	7 Å²	7	50 Å²	50	4%	0.036	24%	0.24	C	C	.	.			trans	-74.6	-45.4	172.7	-64.1	173	0	0	0	108.1	T102 C106 L108 L126 L142 V176 F181 I187 L215	T102-I178 HydrophobicContact CG2-CG2 4.18Å; C106-I178 PolarHBondContact O-N 2.77Å; L108-I178 HydrophobicContact CB-CD1 3.98Å; L108-I178 HydrophobicContact CB-CG1 4.16Å; L126-I178 HydrophobicContact CD1-CG2 4.34Å; L126-I178 HydrophobicContact CD2-CG2 4.19Å; L142-I178 HydrophobicContact CD1-CG1 4.47Å; V176-I178 PolarHBondContact O-N 2.85Å; I178-F181 HydrophobicContact CG2-CD2 3.92Å; I178-F181 HydrophobicContact CG2-CE2 3.57Å; I178-F181 WeakPolarHBondContact O-CE2 3.3Å; I178-F181 WeakPolarHBondContact O-CZ 3.5Å; I178-I187 HydrophobicContact CD1-CD1 3.47Å; I178-I187 VanDerWaalsContact CD1-CD1 3.47Å; I178-I187 HydrophobicContact CD1-CG1 4.25Å; I178-L215 HydrophobicContact CD1-CD2 3.44Å; I178-L215 VanDerWaalsContact CD1-CD2 3.44Å
179	G	61.3	Low	74.1	Confident	18 Å²	18	43.1 Å²	43.1	19%	0.186	20%	0.203	C	C	.	.			trans	76.2	-166.1	-170.9	0	0	0	0	0	111.2	T102 V103 C106	T102-G179 WeakPolarHBondContact CB-O 3.28Å; T102-G179 PolarHBondContact OG1-O 2.73Å; V103-G179 CarbonylContact O-C 3.57Å; C106-G179 PolarHBondContact O-N 2.83Å
180	Q	61.9	Low	75.9	Confident	22 Å²	22	40 Å²	40	10%	0.103	19%	0.189	C	C	.	.			trans	-101.9	128.4	-173.1	174.3	146.6	50.7	0	0	112.5	T102 T104 R438	T102-Q180 WeakPolarHBondContact O-CA 3.28Å; T102-Q180 WeakPolarHBondContact O-CB 3.49Å; T102-Q180 VanDerWaalsContact O-CD 3.32Å; T102-Q180 WeakPolarHBondContact O-CG 3.49Å; T102-Q180 PolarHBondContact O-NE2 3.46Å; T102-Q180 VanDerWaalsContact O-NE2 3.17Å; T102-Q180 WeakPolarHBondContact OG1-CA 3.43Å; T104-Q180 HydrophobicContact CG2-CB 3.86Å; Q180-R438 VanDerWaalsContact CG-CZ 3.49Å; Q180-R438 VanDerWaalsContact CG-NH2 3.3Å; Q180-R438 VanDerWaalsContact OE1-CZ 3.26Å; Q180-R438 VanDerWaalsContact OE1-NE 3.13Å
181	F	61.2	Low	77.2	Confident	23 Å²	23	29.4 Å²	29.4	10%	0.101	15%	0.149	C	C	.	.			trans	-121	131	171.5	-60.1	-78	0	0	0	111.6	H101 T102 L126 M140 I178 W183 M185	H101-F181 VanDerWaalsContact CA-O 3.25Å; H101-F181 WeakPolarHBondContact CA-O 3.26Å; H101-F181 WeakPolarHBondContact CB-O 3.15Å; T102-F181 PolarHBondContact N-O 3.08Å; T102-F181 WeakPolarHBondContact OG1-CD2 3.44Å; T102-F181 PolarHBondContact OG1-N 2.93Å; L126-F181 HydrophobicContact CD1-CD2 4.01Å; L126-F181 HydrophobicContact CD1-CE1 4.09Å; L126-F181 HydrophobicContact CD1-CE2 3.14Å; L126-F181 HydrophobicContact CD1-CZ 3.19Å; L126-F181 HydrophobicContact CG-CE2 4.46Å; M140-F181 HydrophobicContact SD-CE1 3.95Å; M140-F181 HydrophobicContact SD-CZ 4.1Å; I178-F181 HydrophobicContact CG2-CD2 3.92Å; I178-F181 HydrophobicContact CG2-CE2 3.57Å; I178-F181 WeakPolarHBondContact O-CE2 3.3Å; I178-F181 WeakPolarHBondContact O-CZ 3.5Å; F181-W183 HydrophobicContact CD1-CZ2 4.06Å; F181-M185 HydrophobicContact CB-CG 4.03Å; F181-M185 HydrophobicContact CB-SD 3.36Å; F181-M185 WeakPolarHBondContact CB-SD 3.39Å; F181-M185 HydrophobicContact CD1-SD 3.44Å; F181-M185 WeakPolarHBondContact CD1-SD 2.96Å; F181-M185 HydrophobicContact CD2-SD 3.8Å; F181-M185 HydrophobicContact CE1-SD 4.18Å; F181-M185 HydrophobicContact CE2-SD 4.5Å; F181-M185 HydrophobicContact CG-CG 4.44Å; F181-M185 HydrophobicContact CG-SD 3.21Å; F181-M185 WeakPolarHBondContact CG-SD 3.5Å
182	P	52.3	Low	77.9	Confident	17 Å²	17	31.9 Å²	31.9	11%	0.11	16%	0.158	C	C	.	.	S	Bend	trans	-70.7	-26.1	179.5	-24.5	32.9	0	0	0	116.7	Q249 D256	P182-Q249 VanDerWaalsContact CA-NE2 3.32Å; P182-D256 HydrophobicContact CB-CB 4.31Å; P182-D256 WeakPolarHBondContact CB-OD1 3.41Å; P182-D256 WeakPolarHBondContact CG-OD1 3.48Å
183	W	62.3	Low	78	Confident	69 Å²	69	30.2 Å²	30.2	26%	0.261	15%	0.148	S	C	.	.	S	Bend	trans	-112	162.1	-168.6	52.2	79	0	0	0	110	Q100 R137 F181 M185	Q100-W183 CarbonylContact O-C 3.56Å; R137-W183 VanDerWaalsContact NH1-CH2 3.26Å; F181-W183 HydrophobicContact CD1-CZ2 4.06Å; W183-M185 HydrophobicContact CG-CG 4.46Å; W183-M185 HydrophobicContact CZ2-SD 4.42Å; W183-M185 PolarHBondContact NE1-SD 3.44Å; W183-M185 VanDerWaalsContact O-CG 3.3Å; W183-M185 WeakPolarHBondContact O-CG 3.37Å; W183-M185 PolarHBondContact O-N 3.45Å
184	P	70.7	Confident	77.5	Confident	30 Å²	30	26.2 Å²	26.2	20%	0.195	13%	0.13	C	C	.	.			trans	-61	123.6	179.5	-23.4	33.9	0	0	0	111.6	Y99 L129 Y223	Y99-P184 CarbonylContact O-C 3.59Å; Y99-P184 WeakPolarHBondContact O-CA 3.47Å; L129-P184 HydrophobicContact CB-CB 4.18Å; L129-P184 HydrophobicContact CD1-CB 4.22Å; L129-P184 PolarHBondContact N-O 2.89Å; P184-Y223 HydrophobicContact CB-CD2 3.6Å; P184-Y223 HydrophobicContact CB-CE2 4Å; P184-Y223 HydrophobicContact CB-CG 3.98Å; P184-Y223 HydrophobicContact CG-CD2 3.34Å; P184-Y223 HydrophobicContact CG-CE2 3.34Å; P184-Y223 HydrophobicContact CG-CG 4.22Å
185	M	77.1	Confident	76.5	Confident	15 Å²	15	24.3 Å²	24.3	7%	0.074	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.2	-178.3	-60	-158.6	83.1	0	0	111.8	F98 Y99 L126 E127 F181 W183	F98-M185 CarbonylContact C-O 3.5Å; F98-M185 WeakPolarHBondContact CA-O 3.38Å; Y99-M185 PolarHBondContact N-O 3.04Å; Y99-M185 PolarHBondContact O-N 2.85Å; L126-M185 HydrophobicContact CB-CE 3.74Å; E127-M185 CarbonylContact O-C 3.58Å; E127-M185 VanDerWaalsContact O-CA 3.27Å; E127-M185 WeakPolarHBondContact O-CA 3.37Å; F181-M185 HydrophobicContact CB-CG 4.03Å; F181-M185 HydrophobicContact CB-SD 3.36Å; F181-M185 WeakPolarHBondContact CB-SD 3.39Å; F181-M185 HydrophobicContact CD1-SD 3.44Å; F181-M185 WeakPolarHBondContact CD1-SD 2.96Å; F181-M185 HydrophobicContact CD2-SD 3.8Å; F181-M185 HydrophobicContact CE1-SD 4.18Å; F181-M185 HydrophobicContact CE2-SD 4.5Å; F181-M185 HydrophobicContact CG-CG 4.44Å; F181-M185 HydrophobicContact CG-SD 3.21Å; F181-M185 WeakPolarHBondContact CG-SD 3.5Å; W183-M185 HydrophobicContact CG-CG 4.46Å; W183-M185 HydrophobicContact CZ2-SD 4.42Å; W183-M185 PolarHBondContact NE1-SD 3.44Å; W183-M185 VanDerWaalsContact O-CG 3.3Å; W183-M185 WeakPolarHBondContact O-CG 3.37Å; W183-M185 PolarHBondContact O-N 3.45Å
186	R	85.7	Confident	75.1	Confident	37 Å²	37	26.8 Å²	26.8	14%	0.14	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.8	169.1	68.2	179.1	-178.4	172.9	2.6	110.9	E40 V95 P97 F98 L126 E127	E40-R186 IonicContact OE2-NH2 2.98Å; V95-R186 HydrophobicContact CG1-CG 4.47Å; P97-R186 WeakPolarHBondContact O-CB 3.29Å; F98-R186 HydrophobicContact CD1-CB 3.84Å; F98-R186 HydrophobicContact CD1-CG 4.05Å; F98-R186 HydrophobicContact CE1-CB 4.02Å; F98-R186 HydrophobicContact CE1-CG 3.68Å; F98-R186 HydrophobicContact CE2-CG 4.45Å; F98-R186 HydrophobicContact CG-CB 4.15Å; F98-R186 HydrophobicContact CZ-CB 4.5Å; F98-R186 HydrophobicContact CZ-CG 3.92Å; L126-R186 WeakPolarHBondContact CA-O 3.5Å; E127-R186 HydrophobicContact CB-CG 4.02Å; E127-R186 PolarHBondContact N-O 3.47Å; E127-R186 PolarHBondContact O-N 2.78Å; E127-R186 IonicContact OE1-NH2 2.92Å; E127-R186 IonicContact OE2-CZ 3.24Å; E127-R186 IonicContact OE2-NE 2.72Å; E127-R186 PolarHBondContact OE2-NE 2.98Å; E127-R186 IonicContact OE2-NH2 3.54Å; E127-R186 PolarHBondContact OE2-NH2 3.44Å
187	I	89.2	Confident	74	Confident	4 Å²	4	36 Å²	36	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.1	179.2	-55.3	160.8	0	0	0	108	W37 S96 Y99 L108 V124 V125 L126 I178 L215	W37-I187 HydrophobicContact CH2-CB 4.07Å; W37-I187 HydrophobicContact CH2-CD1 4.37Å; W37-I187 HydrophobicContact CH2-CG2 4.11Å; W37-I187 HydrophobicContact CZ3-CB 4.44Å; W37-I187 HydrophobicContact CZ3-CG2 4.43Å; S96-I187 PolarHBondContact N-O 3.19Å; S96-I187 PolarHBondContact OG-N 2.91Å; S96-I187 PolarHBondContact OG-O 2.76Å; Y99-I187 HydrophobicContact CE2-CD1 4.15Å; L108-I187 HydrophobicContact CD1-CD1 4.34Å; L108-I187 HydrophobicContact CD2-CG2 3.94Å; V124-I187 HydrophobicContact CG1-CG2 4.05Å; V125-I187 CarbonylContact O-C 3.52Å; L126-I187 HydrophobicContact CD2-CG1 3.77Å; I178-I187 HydrophobicContact CD1-CD1 3.47Å; I178-I187 VanDerWaalsContact CD1-CD1 3.47Å; I178-I187 HydrophobicContact CD1-CG1 4.25Å; I187-L215 HydrophobicContact CD1-CD1 4.44Å; I187-L215 HydrophobicContact CD1-CD2 3.78Å
188	R	91	Very high	72.6	Confident	23 Å²	23	39.1 Å²	39.1	9%	0.087	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.7	172.2	-52.8	-166.6	-58	-145.3	5	109.5	V94 V95 V125 E127 E190	V94-R188 WeakPolarHBondContact O-CA 3.44Å; V95-R188 HydrophobicContact CG1-CG 4.12Å; V95-R188 HydrophobicContact CG2-CB 4.49Å; V95-R188 HydrophobicContact CG2-CG 4.13Å; V125-R188 HydrophobicContact CB-CB 4.33Å; V125-R188 PolarHBondContact N-O 2.87Å; V125-R188 PolarHBondContact O-N 2.6Å; E127-R188 IonicContact OE1-NH1 3.29Å; E127-R188 PolarHBondContact OE1-NH1 3.01Å; E127-R188 WeakPolarHBondContact OE2-CD 2.89Å; E127-R188 IonicContact OE2-CZ 3.81Å; E127-R188 IonicContact OE2-NE 3.16Å; E127-R188 IonicContact OE2-NH1 2.94Å; E127-R188 PolarHBondContact OE2-NH1 3.14Å; R188-E190 HydrophobicContact CB-CG 4.17Å; R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NE-OE1 2.93Å; R188-E190 PolarHBondContact NE-OE1 3.34Å; R188-E190 IonicContact NH2-OE1 3.31Å; R188-E190 PolarHBondContact NH2-OE1 2.89Å
189	L	93.4	Very high	71.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105.7	167.3	-65.6	162.6	0	0	0	106.9	W37 K93 V94 L108 F110 L122 V123 V124 I210 I213	W37-L189 HydrophobicContact CZ3-CD1 4.19Å; K93-L189 CarbonylContact C-O 3.53Å; K93-L189 VanDerWaalsContact CA-O 3.26Å; K93-L189 WeakPolarHBondContact CA-O 3.35Å; V94-L189 HydrophobicContact CB-CB 4.24Å; V94-L189 HydrophobicContact CB-CD1 4.48Å; V94-L189 PolarHBondContact N-O 3.14Å; V94-L189 PolarHBondContact O-N 3.15Å; L108-L189 HydrophobicContact CD2-CD2 4.24Å; F110-L189 HydrophobicContact CE1-CD2 4.25Å; F110-L189 HydrophobicContact CE2-CD2 4.48Å; F110-L189 HydrophobicContact CZ-CD2 4.17Å; L122-L189 HydrophobicContact CD1-CB 4.4Å; V123-L189 CarbonylContact O-C 3.56Å; V123-L189 WeakPolarHBondContact O-CA 3.33Å; V124-L189 HydrophobicContact CB-CD2 4.49Å; V124-L189 HydrophobicContact CG1-CD2 4.35Å; V124-L189 HydrophobicContact CG2-CD2 3.84Å; L189-I210 HydrophobicContact CB-CD1 4.22Å; L189-I210 HydrophobicContact CD1-CD1 4.41Å; L189-I210 HydrophobicContact CD1-CG2 4.29Å; L189-I213 HydrophobicContact CD1-CD1 3.85Å; L189-I213 HydrophobicContact CD1-CG1 4.47Å
190	E	91.8	Very high	70.4	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.3	-176.6	-53.9	-174.4	179.7	0	0	109.8	V91 K93 L122 V123 V125 R188 W192	V91-E190 HydrophobicContact CG1-CB 4.44Å; K93-E190 HydrophobicContact CD-CG 4.31Å; K93-E190 HydrophobicContact CG-CG 4.1Å; L122-E190 WeakPolarHBondContact CA-O 3.3Å; V123-E190 HydrophobicContact CB-CB 4.38Å; V123-E190 PolarHBondContact N-O 3.5Å; V123-E190 PolarHBondContact O-N 3.41Å; V125-E190 HydrophobicContact CG2-CG 4.1Å; R188-E190 HydrophobicContact CB-CG 4.17Å; R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NE-OE1 2.93Å; R188-E190 PolarHBondContact NE-OE1 3.34Å; R188-E190 IonicContact NH2-OE1 3.31Å; R188-E190 PolarHBondContact NH2-OE1 2.89Å; E190-W192 PolarHBondContact OE2-NE1 2.89Å
191	A	89.8	Confident	69.8	Low	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.4	175.3	0	0	0	0	0	109.7	F48 F82 V91 A92 L122 C208	F48-A191 HydrophobicContact CE2-CB 4.11Å; F48-A191 HydrophobicContact CZ-CB 3.73Å; F82-A191 HydrophobicContact CD1-CB 4.07Å; V91-A191 WeakPolarHBondContact CA-O 3.47Å; A92-A191 PolarHBondContact N-O 3.48Å; A92-A191 PolarHBondContact O-N 2.92Å; L122-A191 HydrophobicContact CD1-CB 4.3Å; A191-C208 HydrophobicContact CB-CB 3.99Å
192	W	87.2	Confident	69.2	Low	113 Å²	113	55.4 Å²	55.4	43%	0.428	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	104.7	176.7	-68.5	74.4	0	0	0	108.4	V91 T120 E121 E190	V91-W192 HydrophobicContact CG1-CD2 4.28Å; V91-W192 HydrophobicContact CG1-CG 4.45Å; V91-W192 HydrophobicContact CG1-CZ2 4.42Å; V91-W192 HydrophobicContact CG2-CD2 3.47Å; V91-W192 VanDerWaalsContact CG2-CD2 3.47Å; V91-W192 HydrophobicContact CG2-CE3 3.36Å; V91-W192 HydrophobicContact CG2-CG 4.07Å; V91-W192 HydrophobicContact CG2-CH2 3.99Å; V91-W192 HydrophobicContact CG2-CZ2 4.09Å; V91-W192 HydrophobicContact CG2-CZ3 3.64Å; T120-W192 CarbonylContact C-O 3.57Å; T120-W192 VanDerWaalsContact CA-O 3.25Å; T120-W192 WeakPolarHBondContact CA-O 3.17Å; E121-W192 HydrophobicContact CG-CB 3.86Å; E121-W192 HydrophobicContact CG-CG 4.39Å; E121-W192 PolarHBondContact N-O 3.45Å; E121-W192 PolarHBondContact O-N 2.77Å; E190-W192 PolarHBondContact OE2-NE1 2.89Å
193	L	82.7	Confident	69.2	Low	2 Å²	2	59 Å²	59	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.9	179.1	-59.5	-175.9	0	0	0	109.4	F82 T84 T90 L114 T120 A206 C208	F82-L193 HydrophobicContact CD1-CD1 3.41Å; F82-L193 VanDerWaalsContact CD1-CD1 3.41Å; F82-L193 HydrophobicContact CD1-CG 3.91Å; F82-L193 HydrophobicContact CE1-CB 4.4Å; F82-L193 HydrophobicContact CE1-CD1 3.32Å; F82-L193 HydrophobicContact CE1-CG 3.64Å; F82-L193 HydrophobicContact CG-CD1 4.16Å; F82-L193 HydrophobicContact CZ-CD1 3.96Å; T84-L193 HydrophobicContact CG2-CB 3.82Å; T84-L193 HydrophobicContact CG2-CD1 3.88Å; T90-L193 PolarHBondContact N-O 3.19Å; T90-L193 PolarHBondContact O-N 3.44Å; L114-L193 HydrophobicContact CD1-CD2 4.09Å; T120-L193 HydrophobicContact CG2-CD2 3.51Å; L193-A206 HydrophobicContact CB-CB 4.04Å; L193-A206 HydrophobicContact CD1-CB 4.35Å; L193-A206 HydrophobicContact CD2-CB 4.02Å; L193-A206 HydrophobicContact CG-CB 4.36Å; L193-C208 HydrophobicContact CD2-CB 4.23Å
194	N	73.2	Confident	69	Low	11 Å²	11	58.5 Å²	58.5	6%	0.059	29%	0.292	C	S	.	.			trans	-107.8	124.9	174.8	-161.8	-24.8	0	0	0	110.9	E89 R119 T120 K196	E89-N194 HydrophobicContact CG-CB 4.4Å; E89-N194 PolarHBondContact OE1-ND2 2.76Å; R119-N194 HydrophobicContact CB-CB 3.95Å; R119-N194 WeakPolarHBondContact CD-ND2 3.41Å; T120-N194 PolarHBondContact OG1-N 2.8Å; N194-K196 PolarHBondContact OD1-N 3.31Å
195	N	64.5	Low	68.7	Low	5 Å²	5	59 Å²	59	3%	0.027	30%	0.296	C	S	.	.			trans	-124.1	18.4	175.8	-155.5	12.8	0	0	0	113.5	K86 N87 Y204	K86-N195 WeakPolarHBondContact O-CB 3.49Å; K86-N195 PolarHBondContact O-ND2 2.88Å; N87-N195 PolarHBondContact OD1-O 2.91Å; N195-Y204 PolarHBondContact ND2-O 2.87Å; N195-Y204 WeakPolarHBondContact OD1-CB 3.35Å; N195-Y204 PolarHBondContact OD1-O 3.1Å
196	K	53.9	Low	68.6	Low	108 Å²	108	58.3 Å²	58.3	47%	0.47	29%	0.293	S	S	.	.			trans	-93	102.7	-177.2	-74.9	-178.5	-178.8	165.4	0	112.8	E89 N194	E89-K196 HydrophobicContact CG-CD 4.2Å; E89-K196 IonicContact OE2-NZ 3.12Å; E89-K196 PolarHBondContact OE2-NZ 2.78Å; N194-K196 PolarHBondContact OD1-N 3.31Å
197	R	55.3	Low	68.3	Low	198 Å²	198	57.5 Å²	57.5	75%	0.747	29%	0.291	S	S	*	.			trans	168.5	113.9	139.4	-96.6	174.3	-174.5	-164.6	0.8	110.3
198	S	46	Very low	68.1	Low	103 Å²	103	57.3 Å²	57.3	72%	0.72	29%	0.29	S	S	*	.				87.1	36.3	81.8	97.1	0	0	0	0	117.2
199	I	47.6	Very low	68	Low	133 Å²	133	56.6 Å²	56.6	68%	0.682	29%	0.288	S	S	*	.			trans	-133.1	120.4	154.5	-59	177.4	0	0	0	106.7	Q201	I199-Q201 PolarHBondContact O-N 3.1Å
200	A	41.7	Very low	67.8	Low	88 Å²	88	56.6 Å²	56.6	73%	0.727	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	130.5	176.2	0	0	0	0	0	109.4
201	Q	49.2	Very low	67.6	Low	158 Å²	158	56.9 Å²	56.9	74%	0.738	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	20.7	172.4	-56.9	173	-72.3	0	0	120	Y155 I199	Y155-Q201 WeakPolarHBondContact CD2-O 3.27Å; Y155-Q201 WeakPolarHBondContact CE2-O 3.24Å; I199-Q201 PolarHBondContact O-N 3.1Å
202	V	48.9	Very low	67.5	Low	34 Å²	34	60.4 Å²	60.4	21%	0.206	31%	0.309	C	S	.	.			trans	-135.6	114.4	162.1	-170.1	0	0	0	0	110.6	K154 Y155 Y204	K154-V202 HydrophobicContact CB-CG1 4.04Å; Y155-V202 HydrophobicContact CD2-CG2 4.25Å; V202-Y204 HydrophobicContact CB-CD2 4.3Å; V202-Y204 HydrophobicContact CB-CE1 4.4Å; V202-Y204 HydrophobicContact CB-CE2 3.61Å; V202-Y204 HydrophobicContact CG1-CD1 4.18Å; V202-Y204 HydrophobicContact CG1-CD2 4.24Å; V202-Y204 HydrophobicContact CG1-CE1 3.7Å; V202-Y204 HydrophobicContact CG1-CE2 3.78Å; V202-Y204 HydrophobicContact CG1-CG 4.44Å; V202-Y204 VanDerWaalsContact CG1-CZ 3.48Å; V202-Y204 VanDerWaalsContact O-CD2 3.26Å; V202-Y204 WeakPolarHBondContact O-CD2 3.45Å; V202-Y204 WeakPolarHBondContact O-CE2 3.34Å; V202-Y204 PolarHBondContact O-N 3.32Å
203	D	51.7	Low	67.6	Low	92 Å²	92	55 Å²	55	49%	0.492	29%	0.288	S	S	.	.			trans	-75.5	115.4	168	-74.7	-33.6	0	0	0	108.1	K154	K154-D203 HydrophobicContact CD-CB 3.8Å; K154-D203 IonicContact NZ-OD2 3.7Å; K154-D203 PolarHBondContact NZ-OD2 3.1Å
204	Y	57.7	Low	67.8	Low	59 Å²	59	57.2 Å²	57.2	23%	0.231	30%	0.3	C	S	.	.			trans	-96	142.8	171.7	-62.8	-80.9	0	0	0	109.1	N195 V202	N195-Y204 PolarHBondContact ND2-O 2.87Å; N195-Y204 WeakPolarHBondContact OD1-CB 3.35Å; N195-Y204 PolarHBondContact OD1-O 3.1Å; V202-Y204 HydrophobicContact CB-CD2 4.3Å; V202-Y204 HydrophobicContact CB-CE1 4.4Å; V202-Y204 HydrophobicContact CB-CE2 3.61Å; V202-Y204 HydrophobicContact CG1-CD1 4.18Å; V202-Y204 HydrophobicContact CG1-CD2 4.24Å; V202-Y204 HydrophobicContact CG1-CE1 3.7Å; V202-Y204 HydrophobicContact CG1-CE2 3.78Å; V202-Y204 HydrophobicContact CG1-CG 4.44Å; V202-Y204 VanDerWaalsContact CG1-CZ 3.48Å; V202-Y204 VanDerWaalsContact O-CD2 3.26Å; V202-Y204 WeakPolarHBondContact O-CD2 3.45Å; V202-Y204 WeakPolarHBondContact O-CE2 3.34Å; V202-Y204 PolarHBondContact O-N 3.32Å
205	S	65.8	Low	68.4	Low	40 Å²	40	57.1 Å²	57.1	28%	0.28	30%	0.3	S	S	.	.			trans	-115.4	139.3	172	66.8	0	0	0	0	110.5	T84	T84-S205 WeakPolarHBondContact O-CA 3.43Å
206	A	74.6	Confident	69.2	Low	1 Å²	1	58.9 Å²	58.9	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	168.6	0	0	0	0	0	108.1	G83 T84 H115 L193	G83-A206 CarbonylContact C-O 3.52Å; G83-A206 WeakPolarHBondContact CA-O 3.28Å; T84-A206 HydrophobicContact CG2-CB 4.32Å; T84-A206 PolarHBondContact N-O 3.16Å; T84-A206 PolarHBondContact O-N 3.48Å; T84-A206 VanDerWaalsContact O-N 3.16Å; H115-A206 CarbonylContact O-C 3.53Å; H115-A206 VanDerWaalsContact O-CA 3.29Å; H115-A206 WeakPolarHBondContact O-CA 3.43Å; L193-A206 HydrophobicContact CB-CB 4.04Å; L193-A206 HydrophobicContact CD1-CB 4.35Å; L193-A206 HydrophobicContact CD2-CB 4.02Å; L193-A206 HydrophobicContact CG-CB 4.36Å
207	D	79.2	Confident	70.1	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.102	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.3	-173.2	-64.1	-58.5	0	0	0	109.9	Y81 H115 M209	Y81-D207 HydrophobicContact CE2-CB 4.14Å; Y81-D207 PolarHBondContact OH-OD1 2.97Å; H115-D207 PolarHBondContact N-O 3.24Å; H115-D207 PolarHBondContact O-N 2.96Å; D207-M209 HydrophobicContact CB-CE 4.05Å
208	C	85.9	Confident	70.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	173.4	-175.1	0	0	0	0	109.1	Y81 F82 R113 L114 A191 L193	Y81-C208 WeakPolarHBondContact CA-O 2.98Å; F82-C208 PolarHBondContact N-O 3.26Å; F82-C208 PolarHBondContact O-N 3.22Å; R113-C208 CarbonylContact O-C 3.54Å; R113-C208 WeakPolarHBondContact O-CA 3.44Å; L114-C208 HydrophobicContact CD1-CB 3.69Å; A191-C208 HydrophobicContact CB-CB 3.99Å; L193-C208 HydrophobicContact CD2-CB 4.23Å
209	M	87.4	Confident	71.7	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.1	172.5	-50.7	112.3	177.8	0	0	109.5	I70 Y79 A80 Y81 Y112 R113 W171 D207	I70-M209 HydrophobicContact CD1-CE 4.17Å; Y79-M209 HydrophobicContact CD2-CB 4.05Å; Y79-M209 HydrophobicContact CD2-CG 4.19Å; Y79-M209 HydrophobicContact CE2-CB 4.35Å; Y79-M209 HydrophobicContact CE2-CG 3.98Å; A80-M209 CarbonylContact O-C 3.45Å; A80-M209 VanDerWaalsContact O-CA 3.26Å; A80-M209 WeakPolarHBondContact O-CA 3.49Å; Y81-M209 HydrophobicContact CD2-CE 3.99Å; Y81-M209 HydrophobicContact CD2-CG 3.87Å; Y81-M209 HydrophobicContact CE2-CE 3.89Å; Y112-M209 CarbonylContact C-O 3.51Å; Y112-M209 WeakPolarHBondContact CA-O 3.48Å; R113-M209 HydrophobicContact CB-CB 4.25Å; R113-M209 HydrophobicContact CB-SD 3.81Å; R113-M209 VanDerWaalsContact CD-SD 3.54Å; R113-M209 HydrophobicContact CG-SD 3.68Å; R113-M209 PolarHBondContact N-O 3.17Å; R113-M209 PolarHBondContact O-N 2.81Å; W171-M209 HydrophobicContact CH2-CB 3.79Å; W171-M209 HydrophobicContact CZ3-CB 4.06Å; D207-M209 HydrophobicContact CB-CE 4.05Å
210	I	89.2	Confident	72.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.6	179.5	-57.2	175	0	0	0	108.6	F31 F48 A80 V94 F110 H111 L122 L189 I213	F31-I210 WeakPolarHBondContact CE2-O 3.39Å; F48-I210 HydrophobicContact CE1-CD1 4.07Å; F48-I210 HydrophobicContact CE1-CG1 4.4Å; F48-I210 HydrophobicContact CZ-CD1 3.89Å; A80-I210 HydrophobicContact CB-CB 4.5Å; A80-I210 PolarHBondContact N-O 3.19Å; A80-I210 PolarHBondContact O-N 2.71Å; V94-I210 HydrophobicContact CG2-CD1 4.26Å; F110-I210 HydrophobicContact CD2-CG2 4.45Å; H111-I210 CarbonylContact O-C 3.44Å; H111-I210 WeakPolarHBondContact O-CA 3.28Å; L122-I210 HydrophobicContact CD1-CD1 3.97Å; L122-I210 HydrophobicContact CD2-CD1 4.47Å; L189-I210 HydrophobicContact CB-CD1 4.22Å; L189-I210 HydrophobicContact CD1-CD1 4.41Å; L189-I210 HydrophobicContact CD1-CG2 4.29Å; I210-I213 HydrophobicContact CG2-CD1 3.97Å; I210-I213 HydrophobicContact CG2-CG1 4Å
211	D	88	Confident	73.5	Confident	22 Å²	22	41.8 Å²	41.8	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.2	-179	-165	14.2	0	0	0	111.9	H111 W171 I213	H111-D211 HydrophobicContact CB-CB 4.48Å; H111-D211 WeakPolarHBondContact CB-O 3.49Å; H111-D211 PolarHBondContact N-O 3.45Å; H111-D211 PolarHBondContact O-N 3.05Å; W171-D211 HydrophobicContact CH2-CB 4.03Å; W171-D211 HydrophobicContact CZ3-CB 3.97Å; D211-I213 PolarHBondContact O-N 3.41Å
212	N	87.3	Confident	74.4	Confident	75 Å²	75	36.9 Å²	36.9	40%	0.401	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.9	53.9	173.3	-73.6	-35.7	0	0	0	113.6	F110 H111 N214	F110-N212 WeakPolarHBondContact CA-O 3.44Å; H111-N212 WeakPolarHBondContact ND1-CB 2.99Å; N212-N214 PolarHBondContact O-N 2.92Å
213	I	90.4	Very high	75.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.6	175.6	-55.3	174	0	0	0	108.4	L28 C29 F31 W37 V94 L108 K109 F110 L189 I210 D211	L28-I213 CarbonylContact C-O 3.58Å; L28-I213 WeakPolarHBondContact CA-O 3.38Å; C29-I213 HydrophobicContact CB-CB 4.35Å; C29-I213 PolarHBondContact N-O 3.28Å; C29-I213 PolarHBondContact O-N 3.06Å; F31-I213 HydrophobicContact CE2-CD1 4.19Å; F31-I213 HydrophobicContact CE2-CG1 4.47Å; F31-I213 HydrophobicContact CZ-CD1 3.8Å; W37-I213 HydrophobicContact CD2-CD1 4.46Å; W37-I213 HydrophobicContact CE3-CD1 4.33Å; W37-I213 HydrophobicContact CH2-CG2 3.75Å; W37-I213 HydrophobicContact CZ2-CG2 3.49Å; W37-I213 VanDerWaalsContact CZ2-CG2 3.49Å; W37-I213 HydrophobicContact CZ3-CG2 4.4Å; V94-I213 HydrophobicContact CG1-CD1 4.18Å; L108-I213 HydrophobicContact CD1-CG2 3.87Å; K109-I213 CarbonylContact O-C 3.53Å; F110-I213 HydrophobicContact CB-CG1 4.17Å; L189-I213 HydrophobicContact CD1-CD1 3.85Å; L189-I213 HydrophobicContact CD1-CG1 4.47Å; I210-I213 HydrophobicContact CG2-CD1 3.97Å; I210-I213 HydrophobicContact CG2-CG1 4Å; D211-I213 PolarHBondContact O-N 3.41Å
214	N	87	Confident	75.7	Confident	48 Å²	48	41.3 Å²	41.3	26%	0.257	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.4	-177.7	-172.4	13.2	0	0	0	111.2	M27 L28 K109 N212 V216	M27-N214 CarbonylContact O-C 3.51Å; M27-N214 WeakPolarHBondContact O-CA 2.97Å; M27-N214 PolarHBondContact O-OD1 3.41Å; L28-N214 HydrophobicContact CD1-CB 4.43Å; K109-N214 HydrophobicContact CB-CB 4.49Å; K109-N214 PolarHBondContact N-O 2.82Å; K109-N214 PolarHBondContact O-N 2.89Å; N212-N214 PolarHBondContact O-N 2.92Å; N214-V216 HydrophobicContact CB-CG2 4.42Å
215	L	84.9	Confident	75.9	Confident	9 Å²	9	42.4 Å²	42.4	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.3	168.4	-75.3	170.5	0	0	0	109.3	M27 Y99 L108 I178 I187 C218	M27-L215 HydrophobicContact CB-CB 4.48Å; M27-L215 HydrophobicContact CG-CB 4.5Å; M27-L215 PolarHBondContact O-N 2.66Å; Y99-L215 HydrophobicContact CE1-CD1 4Å; Y99-L215 HydrophobicContact CE2-CD1 3.84Å; Y99-L215 VanDerWaalsContact CZ-CD1 3.48Å; Y99-L215 WeakPolarHBondContact OH-CD1 3.15Å; L108-L215 HydrophobicContact CB-CD2 4.44Å; L108-L215 HydrophobicContact CD1-CD2 3.83Å; L108-L215 HydrophobicContact CD1-CG 4.31Å; I178-L215 HydrophobicContact CD1-CD2 3.44Å; I178-L215 VanDerWaalsContact CD1-CD2 3.44Å; I187-L215 HydrophobicContact CD1-CD1 4.44Å; I187-L215 HydrophobicContact CD1-CD2 3.78Å; L215-C218 HydrophobicContact CB-CB 3.73Å
216	V	81	Confident	75.6	Confident	42 Å²	42	45.9 Å²	45.9	26%	0.255	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.7	-174.2	-174.2	0	0	0	0	110.4	K107 K109 N214 C218	K107-V216 PolarHBondContact N-O 2.78Å; K107-V216 PolarHBondContact O-N 3Å; K109-V216 HydrophobicContact CB-CG2 3.72Å; K109-V216 HydrophobicContact CD-CG2 4.13Å; N214-V216 HydrophobicContact CB-CG2 4.42Å; V216-C218 PolarHBondContact O-N 3.2Å; V216-C218 PolarHBondContact O-SG 3.11Å
217	D	72.7	Confident	74.9	Confident	95 Å²	95	48.9 Å²	48.9	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	55.3	40.4	-176.7	-50.5	-37.6	0	0	0	111.9	V103 H105 C106	V103-D217 WeakPolarHBondContact CG2-O 3.36Å; H105-D217 PolarHBondContact CD2-O 2.03Å; C106-D217 WeakPolarHBondContact CA-O 3.44Å
218	C	71.5	Confident	74.1	Confident	15 Å²	15	48.8 Å²	48.8	10%	0.101	26%	0.26	C	S	.	.			trans	-120.4	117.9	-169.3	-79.1	0	0	0	0	105.1	M27 C106 K107 L215 V216 E220	M27-C218 HydrophobicContact CE-CB 4.37Å; M27-C218 WeakPolarHBondContact CE-O 3.29Å; C106-C218 WeakPolarHBondContact CA-SG 3.11Å; C106-C218 HydrophobicContact CB-CB 4.08Å; C106-C218 WeakPolarHBondContact CB-SG 3.29Å; C106-C218 WeakPolarHBondContact SG-CB 3.39Å; C106-C218 CovalentContact SG-SG 2.05Å; C106-C218 PolarHBondContact SG-SG 2.83Å; K107-C218 PolarHBondContact N-SG 3.13Å; L215-C218 HydrophobicContact CB-CB 3.73Å; V216-C218 PolarHBondContact O-N 3.2Å; V216-C218 PolarHBondContact O-SG 3.11Å; C218-E220 WeakPolarHBondContact CA-OE2 3.32Å; C218-E220 WeakPolarHBondContact CB-OE2 2.94Å
219	E	63.8	Low	72.6	Confident	121 Å²	121	55.2 Å²	55.2	57%	0.565	29%	0.293	S	S	*	.			trans	-99.3	20.2	-177.6	-62.9	-163.6	145.1	0	0	112.4	V103	V103-E219 HydrophobicContact CG1-CB 4.12Å; V103-E219 HydrophobicContact CG1-CG 4.43Å
220	E	64.5	Low	70.9	Confident	8 Å²	8	56 Å²	56	4%	0.037	30%	0.3	C	S	.	.			trans	-80.2	145.2	-162.3	-63	81	-166.2	0	0	115.5	M27 Y99 H101 T102 V103 C106 C218	M27-E220 HydrophobicContact CE-CB 4.37Å; M27-E220 VanDerWaalsContact CE-N 3.29Å; M27-E220 VanDerWaalsContact CE-O 3.29Å; M27-E220 WeakPolarHBondContact CE-O 3.35Å; Y99-E220 HydrophobicContact CD1-CB 4.07Å; Y99-E220 HydrophobicContact CG-CB 4.39Å; H101-E220 WeakPolarHBondContact O-CG 3.34Å; T102-E220 WeakPolarHBondContact CA-OE1 3.48Å; T102-E220 WeakPolarHBondContact CB-OE1 3.1Å; T102-E220 HydrophobicContact CG2-CG 3.77Å; V103-E220 PolarHBondContact N-OE1 2.98Å; C106-E220 WeakPolarHBondContact CB-OE1 3.42Å; C106-E220 PolarHBondContact SG-OE1 2.89Å; C218-E220 WeakPolarHBondContact CA-OE2 3.32Å; C218-E220 WeakPolarHBondContact CB-OE2 2.94Å
221	E	63.3	Low	68.9	Low	31 Å²	31	62.7 Å²	62.7	15%	0.145	34%	0.335	C	S	.	.			trans	-104.9	138.3	171.2	-68.4	166	162.6	0	0	109.2	Q100 Y223 S230 N231 K235	Q100-E221 PolarHBondContact N-O 3.22Å; E221-Y223 PolarHBondContact O-N 2.89Å; E221-S230 VanDerWaalsContact CD-CB 3.48Å; E221-S230 WeakPolarHBondContact OE1-CA 3.28Å; E221-S230 WeakPolarHBondContact OE1-CB 3.38Å; E221-S230 PolarHBondContact OE1-OG 3.3Å; E221-S230 WeakPolarHBondContact OE2-CA 3.12Å; E221-S230 WeakPolarHBondContact OE2-CB 3.42Å; E221-S230 PolarHBondContact OE2-OG 3.46Å; E221-N231 PolarHBondContact OE1-N 2.8Å; E221-K235 IonicContact OE2-NZ 2.78Å; E221-K235 PolarHBondContact OE2-NZ 2.88Å
222	V	68.6	Low	67.1	Low	55 Å²	55	71.6 Å²	71.6	33%	0.333	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-57.3	130.8	171.9	178.4	0	0	0	0	108.5	A26 P97 Q224	A26-V222 HydrophobicContact CB-CG2 3.45Å; A26-V222 VanDerWaalsContact CB-CG2 3.45Å; P97-V222 HydrophobicContact CB-CG1 4.14Å; P97-V222 HydrophobicContact CG-CG2 4.37Å; V222-Q224 PolarHBondContact O-N 3.04Å; V222-Q224 VanDerWaalsContact O-N 3.13Å
223	Y	65.9	Low	65.3	Low	86 Å²	86	71.4 Å²	71.4	34%	0.337	37%	0.369	S	S	.	.			trans	-60.7	117.1	-178.6	172.8	-93.2	0	0	0	111.1	F98 Q100 L129 P184 E221	F98-Y223 WeakPolarHBondContact O-CB 3.4Å; F98-Y223 PolarHBondContact O-N 2.82Å; Q100-Y223 HydrophobicContact CG-CD2 3.65Å; Q100-Y223 HydrophobicContact CG-CG 4.34Å; L129-Y223 HydrophobicContact CD1-CD1 4.29Å; L129-Y223 HydrophobicContact CD1-CE1 4.21Å; P184-Y223 HydrophobicContact CB-CD2 3.6Å; P184-Y223 HydrophobicContact CB-CE2 4Å; P184-Y223 HydrophobicContact CB-CG 3.98Å; P184-Y223 HydrophobicContact CG-CD2 3.34Å; P184-Y223 HydrophobicContact CG-CE2 3.34Å; P184-Y223 HydrophobicContact CG-CG 4.22Å; E221-Y223 PolarHBondContact O-N 2.89Å
224	Q	62	Low	63.7	Low	134 Å²	134	78.1 Å²	78.1	63%	0.626	40%	0.401	S	S	*	.			trans	-112	134.9	165.5	-81.3	177	-12.7	0	0	109.6	Q100 V222	Q100-Q224 PolarHBondContact NE2-O 3.11Å; V222-Q224 PolarHBondContact O-N 3.04Å; V222-Q224 VanDerWaalsContact O-N 3.13Å
225	S	60.2	Low	62.5	Low	82 Å²	82	76.5 Å²	76.5	57%	0.573	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	138.4	176.5	60.2	0	0	0	0	110.8
226	D	59.5	Low	61.9	Low	113 Å²	113	77.4 Å²	77.4	60%	0.604	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	7.4	171.3	-67.9	-53.3	0	0	0	118.8	K242	D226-K242 IonicContact OD1-NZ 2.64Å
227	T	61.4	Low	61.5	Low	63 Å²	63	81.1 Å²	81.1	39%	0.387	40%	0.403	S	S	.	.			trans	-124.9	117.3	176.8	36.7	0	0	0	0	113.1
228	C	62.2	Low	61.7	Low	18 Å²	18	76.6 Å²	76.6	12%	0.122	38%	0.38	C	S	.	.			trans	-99.7	20.5	174.6	-59	0	0	0	0	113.6	K235 R237 C244	C228-K235 HydrophobicContact CB-CB 4.45Å; C228-K235 PolarHBondContact O-N 3.45Å; C228-R237 HydrophobicContact CB-CB 4.39Å; C228-C244 WeakPolarHBondContact CA-SG 3.21Å; C228-C244 HydrophobicContact CB-CB 3.72Å; C228-C244 WeakPolarHBondContact CB-SG 3.39Å; C228-C244 WeakPolarHBondContact SG-CB 3.49Å; C228-C244 CovalentContact SG-SG 2.03Å; C228-C244 PolarHBondContact SG-SG 3.21Å
229	L	53.7	Low	61.9	Low	135 Å²	135	83.9 Å²	83.9	71%	0.707	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-98.8	109	178.6	-76.6	159.9	0	0	0	108.5
230	S	51.1	Low	62.1	Low	24 Å²	24	81.5 Å²	81.5	17%	0.168	41%	0.409	C	S	.	.			trans	-88.1	152.6	167.6	159.2	0	0	0	0	109.9	E221 R232 T233	E221-S230 VanDerWaalsContact CD-CB 3.48Å; E221-S230 WeakPolarHBondContact OE1-CA 3.28Å; E221-S230 WeakPolarHBondContact OE1-CB 3.38Å; E221-S230 PolarHBondContact OE1-OG 3.3Å; E221-S230 WeakPolarHBondContact OE2-CA 3.12Å; E221-S230 WeakPolarHBondContact OE2-CB 3.42Å; E221-S230 PolarHBondContact OE2-OG 3.46Å; S230-R232 PolarHBondContact O-N 3.13Å; S230-R232 VanDerWaalsContact O-N 3.11Å; S230-R232 PolarHBondContact OG-N 2.83Å; S230-T233 VanDerWaalsContact CB-O 3.29Å; S230-T233 WeakPolarHBondContact CB-O 3.27Å
231	N	49	Very low	62.3	Low	141 Å²	141	83.3 Å²	83.3	75%	0.754	42%	0.419	S	S	*	.	S	Bend	trans	-66.6	-8.2	178	-123.1	-7.2	0	0	0	113.6	E221	E221-N231 PolarHBondContact OE1-N 2.8Å
232	R	49.2	Very low	62.4	Low	208 Å²	208	87.3 Å²	87.3	79%	0.785	44%	0.436	S	S	*	.	S	Bend	trans	-123.7	-31.4	-178.3	-75.5	-173.7	175.7	178.1	1.6	115.3	S230	S230-R232 PolarHBondContact O-N 3.13Å; S230-R232 VanDerWaalsContact O-N 3.11Å; S230-R232 PolarHBondContact OG-N 2.83Å
233	T	50.4	Low	62.3	Low	72 Å²	72	86.3 Å²	86.3	44%	0.442	43%	0.433	S	S	.	.	S	Bend	trans	-145.8	143.5	-178	55.1	0	0	0	0	111.4	S230 K235	S230-T233 VanDerWaalsContact CB-O 3.29Å; S230-T233 WeakPolarHBondContact CB-O 3.27Å; T233-K235 PolarHBondContact O-N 2.97Å
234	E	56.6	Low	62.4	Low	141 Å²	141	83.3 Å²	83.3	66%	0.659	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-66	129.4	166.9	-79	-176.9	155.2	0	0	108.4	W247	E234-W247 PolarHBondContact O-NE1 2.91Å
235	K	61.7	Low	62.8	Low	14 Å²	14	77 Å²	77	6%	0.061	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-91.4	150.6	170.8	-63.3	-175.9	-169.5	157.6	0	110	H101 E221 C228 T233 C244 E246	H101-K235 PolarHBondContact CE1-NZ 3.24Å; H101-K235 PolarHBondContact ND1-NZ 2.95Å; E221-K235 IonicContact OE2-NZ 2.78Å; E221-K235 PolarHBondContact OE2-NZ 2.88Å; C228-K235 HydrophobicContact CB-CB 4.45Å; C228-K235 PolarHBondContact O-N 3.45Å; T233-K235 PolarHBondContact O-N 2.97Å; K235-C244 HydrophobicContact CB-CB 4.27Å; K235-C244 HydrophobicContact CD-CB 4.41Å; K235-E246 WeakPolarHBondContact CD-OE1 3.41Å; K235-E246 WeakPolarHBondContact CE-OE1 3.49Å; K235-E246 WeakPolarHBondContact CG-OE1 3.4Å
236	Y	70.9	Confident	63	Low	27 Å²	27	74.6 Å²	74.6	11%	0.106	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.8	174.1	177.4	-96.1	0	0	0	110	C244 I245 W247 L250 H268	Y236-C244 CarbonylContact O-C 3.58Å; Y236-C244 WeakPolarHBondContact O-CA 3.29Å; Y236-I245 HydrophobicContact CD1-CD1 3.8Å; Y236-I245 HydrophobicContact CD1-CG1 3.66Å; Y236-I245 HydrophobicContact CE1-CD1 4.41Å; Y236-I245 HydrophobicContact CG-CG1 4.37Å; Y236-I245 PolarHBondContact N-O 2.84Å; Y236-I245 PolarHBondContact O-N 3.12Å; Y236-W247 AromaticContact CD2-CH2 3.87Å; Y236-W247 HydrophobicContact CD2-CH2 3.87Å; Y236-W247 AromaticContact CD2-CZ3 3.97Å; Y236-W247 HydrophobicContact CD2-CZ3 3.97Å; Y236-L250 VanDerWaalsContact CB-CD1 3.49Å; Y236-L250 HydrophobicContact CD1-CD1 3.91Å; Y236-L250 HydrophobicContact CD1-CG 4.5Å; Y236-L250 HydrophobicContact CD2-CD1 3.91Å; Y236-L250 HydrophobicContact CG-CD1 3.5Å; Y236-L250 HydrophobicContact CG-CG 4.46Å; Y236-H268 AromaticContact CE2-CE1 3.69Å; Y236-H268 AromaticContact CZ-CE1 3.68Å; Y236-H268 AromaticContact CZ-NE2 3.67Å; Y236-H268 PolarHBondContact OH-CE1 2.75Å; Y236-H268 PolarHBondContact OH-NE2 3.21Å
237	R	74.2	Confident	63.5	Low	120 Å²	120	75.6 Å²	75.6	45%	0.453	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.1	178.4	-175.3	174.4	-175.3	-131.2	15.3	109.7	C228 Q239	C228-R237 HydrophobicContact CB-CB 4.39Å; R237-Q239 PolarHBondContact O-N 3.23Å
238	C	75.5	Confident	63.8	Low	1 Å²	1	73.5 Å²	73.5	1%	0.007	36%	0.356	C	S	.	.			trans	-55.1	129.5	171.5	-62.7	0	0	0	0	110.3	S240 N241 K242 A243 C257 E261	C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 3.39Å; C238-N241 WeakPolarHBondContact CB-OD1 3.4Å; C238-K242 WeakPolarHBondContact O-CA 3.29Å; C238-K242 PolarHBondContact O-N 3.08Å; C238-A243 HydrophobicContact CB-CB 4.4Å; C238-A243 WeakPolarHBondContact CB-O 3.24Å; C238-A243 PolarHBondContact N-O 3.21Å; C238-C257 HydrophobicContact CB-CB 3.69Å; C238-C257 WeakPolarHBondContact CB-SG 3Å; C238-C257 VanDerWaalsContact SG-CA 3.51Å; C238-C257 WeakPolarHBondContact SG-CB 3.34Å; C238-C257 CovalentContact SG-SG 2.03Å; C238-C257 PolarHBondContact SG-SG 3.19Å; C238-E261 WeakPolarHBondContact CA-OE1 3.07Å; C238-E261 WeakPolarHBondContact CB-OE1 3.17Å
239	Q	75.6	Confident	64.3	Low	167 Å²	167	72.6 Å²	72.6	78%	0.78	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-35.6	178.5	-127.6	103.7	15.3	0	0	111	R237 E261	R237-Q239 PolarHBondContact O-N 3.23Å; Q239-E261 PolarHBondContact N-OE1 3.15Å
240	S	68.7	Low	65.4	Low	71 Å²	71	66.9 Å²	66.9	50%	0.497	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-45.4	-169.8	-57	0	0	0	0	113.2	C238 G259 E261	C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 3.39Å; S240-G259 WeakPolarHBondContact OG-CA 2.83Å; S240-G259 PolarHBondContact OG-N 3.16Å; S240-E261 WeakPolarHBondContact CB-OE1 3.3Å; S240-E261 PolarHBondContact N-OE1 3.09Å; S240-E261 PolarHBondContact OG-OE1 3.35Å; S240-E261 PolarHBondContact OG-OE2 2.9Å
241	N	69.4	Low	66.7	Low	47 Å²	47	67.2 Å²	67.2	25%	0.251	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	2.7	-168.1	69.3	-5.9	0	0	0	114.2	C238 A243 Y258	C238-N241 WeakPolarHBondContact CB-OD1 3.4Å; N241-A243 PolarHBondContact O-N 2.86Å; N241-A243 VanDerWaalsContact O-N 3.12Å; N241-A243 WeakPolarHBondContact OD1-CB 3.38Å; N241-A243 PolarHBondContact OD1-N 2.77Å; N241-Y258 HydrophobicContact CB-CD2 3.28Å; N241-Y258 HydrophobicContact CB-CE2 4.01Å; N241-Y258 HydrophobicContact CB-CG 4.09Å; N241-Y258 WeakPolarHBondContact ND2-CD2 3.14Å
242	K	64.5	Low	68	Low	115 Å²	115	60.8 Å²	60.8	50%	0.5	29%	0.288	S	S	.	.			trans	57.3	15.4	-173.3	-53.9	175.4	170.8	-176.4	0	114	D226 C238	D226-K242 IonicContact OD1-NZ 2.64Å; C238-K242 WeakPolarHBondContact O-CA 3.29Å; C238-K242 PolarHBondContact O-N 3.08Å
243	A	65.7	Low	69.5	Low	33 Å²	33	53.1 Å²	53.1	27%	0.273	26%	0.262	S	S	.	.			trans	-65	145.6	171.6	0	0	0	0	0	109.4	C238 N241	C238-A243 HydrophobicContact CB-CB 4.4Å; C238-A243 WeakPolarHBondContact CB-O 3.24Å; C238-A243 PolarHBondContact N-O 3.21Å; N241-A243 PolarHBondContact O-N 2.86Å; N241-A243 VanDerWaalsContact O-N 3.12Å; N241-A243 WeakPolarHBondContact OD1-CB 3.38Å; N241-A243 PolarHBondContact OD1-N 2.77Å
244	C	69.7	Low	70.8	Confident	24 Å²	24	50.2 Å²	50.2	16%	0.162	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.5	176.8	-45.7	0	0	0	0	107.7	C228 K235 Y236	C228-C244 WeakPolarHBondContact CA-SG 3.21Å; C228-C244 HydrophobicContact CB-CB 3.72Å; C228-C244 WeakPolarHBondContact CB-SG 3.39Å; C228-C244 WeakPolarHBondContact SG-CB 3.49Å; C228-C244 CovalentContact SG-SG 2.03Å; C228-C244 PolarHBondContact SG-SG 3.21Å; K235-C244 HydrophobicContact CB-CB 4.27Å; K235-C244 HydrophobicContact CD-CB 4.41Å; Y236-C244 CarbonylContact O-C 3.58Å; Y236-C244 WeakPolarHBondContact O-CA 3.29Å
245	I	69.2	Low	71.8	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153	176.1	62.1	169.3	0	0	0	109.4	Y236 Q249 L250 D256 D262	Y236-I245 HydrophobicContact CD1-CD1 3.8Å; Y236-I245 HydrophobicContact CD1-CG1 3.66Å; Y236-I245 HydrophobicContact CE1-CD1 4.41Å; Y236-I245 HydrophobicContact CG-CG1 4.37Å; Y236-I245 PolarHBondContact N-O 2.84Å; Y236-I245 PolarHBondContact O-N 3.12Å; I245-Q249 HydrophobicContact CB-CB 4.19Å; I245-Q249 HydrophobicContact CD1-CB 4.27Å; I245-L250 HydrophobicContact CD1-CD1 4.49Å; I245-D256 HydrophobicContact CG2-CB 3.92Å; I245-D262 HydrophobicContact CD1-CB 3.74Å
246	E	64.9	Low	72.4	Confident	31 Å²	31	48.8 Å²	48.8	15%	0.145	25%	0.245	C	C	.	.			trans	-67.3	151.3	174.7	-75.2	-60.8	138.9	0	0	111.2	H101 K235 D248 Q249	H101-E246 IonicContact CD2-OE1 3.25Å; H101-E246 IonicContact CE1-OE1 2.74Å; H101-E246 IonicContact NE2-OE1 3.27Å; H101-E246 PolarHBondContact NE2-OE1 2.94Å; K235-E246 WeakPolarHBondContact CD-OE1 3.41Å; K235-E246 WeakPolarHBondContact CE-OE1 3.49Å; K235-E246 WeakPolarHBondContact CG-OE1 3.4Å; E246-D248 PolarHBondContact O-N 2.89Å; E246-D248 VanDerWaalsContact O-N 3.13Å; E246-Q249 HydrophobicContact CB-CG 4.1Å; E246-Q249 VanDerWaalsContact O-CB 3.3Å; E246-Q249 WeakPolarHBondContact O-CB 3.2Å; E246-Q249 PolarHBondContact O-N 2.94Å
247	W	69.7	Low	72.6	Confident	133 Å²	133	47.6 Å²	47.6	50%	0.504	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.1	171.9	-70.7	100.4	0	0	0	112.6	E234 Y236 Q249 L250	E234-W247 PolarHBondContact O-NE1 2.91Å; Y236-W247 AromaticContact CD2-CH2 3.87Å; Y236-W247 HydrophobicContact CD2-CH2 3.87Å; Y236-W247 AromaticContact CD2-CZ3 3.97Å; Y236-W247 HydrophobicContact CD2-CZ3 3.97Å; W247-Q249 PolarHBondContact O-N 2.85Å; W247-L250 HydrophobicContact CD2-CD1 4.33Å; W247-L250 HydrophobicContact CE3-CD1 3.6Å; W247-L250 HydrophobicContact CZ3-CD1 3.98Å
248	D	68.3	Low	72.3	Confident	19 Å²	19	48.6 Å²	48.6	10%	0.102	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.4	173.5	-154	32.4	0	0	0	112.9	E246 R388 R390 S440	E246-D248 PolarHBondContact O-N 2.89Å; E246-D248 VanDerWaalsContact O-N 3.13Å; D248-R388 WeakPolarHBondContact OD1-CD 3.27Å; D248-R388 IonicContact OD1-NH1 2.66Å; D248-R388 IonicContact OD2-CZ 3.9Å; D248-R388 IonicContact OD2-NH1 3.9Å; D248-R388 PolarHBondContact OD2-NH1 2.89Å; D248-R390 PolarHBondContact O-NE 3.12Å; D248-R390 PolarHBondContact O-NH1 3.3Å; D248-R390 PolarHBondContact O-NH2 3.31Å; D248-R390 IonicContact OD1-CZ 2.99Å; D248-R390 IonicContact OD1-NE 3.87Å; D248-R390 PolarHBondContact OD1-NE 3.27Å; D248-R390 IonicContact OD1-NH2 2.88Å; D248-R390 PolarHBondContact OD1-NH2 3.27Å; D248-S440 PolarHBondContact OD2-OG 3.42Å
249	Q	72.2	Confident	72.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18	179.4	-64.1	-176.9	-94.6	0	0	113.4	P182 I245 E246 W247 C251 D252 D256	P182-Q249 VanDerWaalsContact CA-NE2 3.32Å; I245-Q249 HydrophobicContact CB-CB 4.19Å; I245-Q249 HydrophobicContact CD1-CB 4.27Å; E246-Q249 HydrophobicContact CB-CG 4.1Å; E246-Q249 VanDerWaalsContact O-CB 3.3Å; E246-Q249 WeakPolarHBondContact O-CB 3.2Å; E246-Q249 PolarHBondContact O-N 2.94Å; W247-Q249 PolarHBondContact O-N 2.85Å; Q249-C251 PolarHBondContact O-N 2.99Å; Q249-D252 PolarHBondContact O-N 3.32Å; Q249-D256 WeakPolarHBondContact CB-OD2 3.29Å; Q249-D256 PolarHBondContact NE2-OD2 2.8Å
250	L	76.3	Confident	72.1	Confident	15 Å²	15	44 Å²	44	8%	0.079	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	133.7	169.6	-91.1	115.9	0	0	0	110.8	Y236 I245 W247 D252 H268 R390	Y236-L250 VanDerWaalsContact CB-CD1 3.49Å; Y236-L250 HydrophobicContact CD1-CD1 3.91Å; Y236-L250 HydrophobicContact CD1-CG 4.5Å; Y236-L250 HydrophobicContact CD2-CD1 3.91Å; Y236-L250 HydrophobicContact CG-CD1 3.5Å; Y236-L250 HydrophobicContact CG-CG 4.46Å; I245-L250 HydrophobicContact CD1-CD1 4.49Å; W247-L250 HydrophobicContact CD2-CD1 4.33Å; W247-L250 HydrophobicContact CE3-CD1 3.6Å; W247-L250 HydrophobicContact CZ3-CD1 3.98Å; L250-D252 PolarHBondContact O-N 3.39Å; L250-H268 HydrophobicContact CD2-CB 3.91Å; L250-H268 WeakPolarHBondContact CD2-CD2 3.49Å; L250-H268 WeakPolarHBondContact CD2-ND1 3.33Å; L250-R390 PolarHBondContact O-NH1 2.78Å
251	C	79.4	Confident	72.6	Confident	30 Å²	30	41.8 Å²	41.8	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	30.9	178.7	-53.9	0	0	0	0	114.1	Q249 D262 E263 C270	Q249-C251 PolarHBondContact O-N 2.99Å; C251-D262 PolarHBondContact N-O 3.25Å; C251-E263 VanDerWaalsContact C-OE1 3.26Å; C251-E263 WeakPolarHBondContact CA-OE1 3.27Å; C251-E263 PolarHBondContact N-OE1 3.2Å; C251-C270 HydrophobicContact CB-CB 3.5Å; C251-C270 WeakPolarHBondContact CB-SG 3.06Å; C251-C270 WeakPolarHBondContact SG-CA 3.26Å; C251-C270 WeakPolarHBondContact SG-CB 3.29Å; C251-C270 CovalentContact SG-SG 2.03Å; C251-C270 PolarHBondContact SG-SG 3.43Å
252	D	76.3	Confident	73.2	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.032	21%	0.213	C	C	.	.	S	Bend	trans	-89.7	1.9	-179.4	91.1	-1.6	0	0	0	114.5	Q249 L250 S254 E263 R438	Q249-D252 PolarHBondContact O-N 3.32Å; L250-D252 PolarHBondContact O-N 3.39Å; D252-S254 VanDerWaalsContact C-N 3.3Å; D252-S254 WeakPolarHBondContact OD1-CA 3.38Å; D252-S254 WeakPolarHBondContact OD1-CB 2.91Å; D252-S254 PolarHBondContact OD1-N 3.32Å; D252-S254 PolarHBondContact OD1-OG 3.32Å; D252-E263 PolarHBondContact N-OE1 3.05Å; D252-R438 IonicContact OD2-CZ 3.49Å; D252-R438 IonicContact OD2-NH1 3.4Å; D252-R438 PolarHBondContact OD2-NH1 2.9Å; D252-R438 VanDerWaalsContact OD2-NH1 3.14Å
253	M	79.5	Confident	74	Confident	48 Å²	48	35.4 Å²	35.4	24%	0.236	20%	0.195	C	C	.	.	S	Bend	trans	71.4	19.2	-176.7	-56.3	176.5	-88.9	0	0	114.3	E263 R295 N297	M253-E263 VanDerWaalsContact CA-OE2 3.29Å; M253-E263 WeakPolarHBondContact CA-OE2 3.47Å; M253-E263 PolarHBondContact N-OE1 2.74Å; M253-E263 PolarHBondContact N-OE2 3.06Å; M253-R295 HydrophobicContact CE-CG 3.73Å; M253-R295 HydrophobicContact CG-CG 4.27Å; M253-R295 HydrophobicContact SD-CG 3.64Å; M253-N297 HydrophobicContact SD-CB 4.16Å
254	S	78	Confident	74.7	Confident	10 Å²	10	37 Å²	37	7%	0.07	20%	0.199	C	C	.	.	S	Bend	trans	-117	133.6	169.8	-36	0	0	0	0	108.8	D252 D256 E263 H339 F392	D252-S254 VanDerWaalsContact C-N 3.3Å; D252-S254 WeakPolarHBondContact OD1-CA 3.38Å; D252-S254 WeakPolarHBondContact OD1-CB 2.91Å; D252-S254 PolarHBondContact OD1-N 3.32Å; D252-S254 PolarHBondContact OD1-OG 3.32Å; S254-D256 PolarHBondContact O-N 3.45Å; S254-E263 VanDerWaalsContact O-CG 3.29Å; S254-E263 WeakPolarHBondContact O-CG 3.49Å; S254-H339 PolarHBondContact OG-CE1 3.08Å; S254-F392 WeakPolarHBondContact OG-CE2 3.46Å; S254-F392 WeakPolarHBondContact OG-CZ 3.46Å
255	V	78.3	Confident	74.8	Confident	101 Å²	101	40.4 Å²	40.4	61%	0.612	22%	0.215	S	C	*	.			trans	-81.3	99	173.7	175.3	0	0	0	0	108.3	C257	V255-C257 WeakPolarHBondContact CG1-O 3.48Å
256	D	73.8	Confident	74.7	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.134	25%	0.248	C	C	.	.			trans	-98.2	-30.8	178.2	-67.3	-30.1	0	0	0	111.6	P182 I245 Q249 S254 D262	P182-D256 HydrophobicContact CB-CB 4.31Å; P182-D256 WeakPolarHBondContact CB-OD1 3.41Å; P182-D256 WeakPolarHBondContact CG-OD1 3.48Å; I245-D256 HydrophobicContact CG2-CB 3.92Å; Q249-D256 WeakPolarHBondContact CB-OD2 3.29Å; Q249-D256 PolarHBondContact NE2-OD2 2.8Å; S254-D256 PolarHBondContact O-N 3.45Å; D256-D262 WeakPolarHBondContact CA-OD2 3.43Å; D256-D262 WeakPolarHBondContact CB-OD2 3.28Å; D256-D262 PolarHBondContact N-OD2 3.2Å
257	C	76.4	Confident	75.1	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.007	26%	0.264	C	S	.	.	S	Bend	trans	-87.1	142.1	169.3	-60.1	0	0	0	0	111.6	C238 V255 G259 G260 E261 D262	C238-C257 HydrophobicContact CB-CB 3.69Å; C238-C257 WeakPolarHBondContact CB-SG 3Å; C238-C257 VanDerWaalsContact SG-CA 3.51Å; C238-C257 WeakPolarHBondContact SG-CB 3.34Å; C238-C257 CovalentContact SG-SG 2.03Å; C238-C257 PolarHBondContact SG-SG 3.19Å; V255-C257 WeakPolarHBondContact CG1-O 3.48Å; C257-G259 PolarHBondContact O-N 2.94Å; C257-G259 VanDerWaalsContact O-N 3.15Å; C257-G260 PolarHBondContact O-N 2.93Å; C257-E261 HydrophobicContact CB-CG 3.86Å; C257-E261 WeakPolarHBondContact CB-OE1 3.3Å; C257-E261 WeakPolarHBondContact CB-OE2 3.45Å; C257-D262 HydrophobicContact CB-CB 4.27Å; C257-D262 WeakPolarHBondContact CB-OD1 3.16Å; C257-D262 PolarHBondContact N-OD1 3.11Å; C257-D262 PolarHBondContact N-OD2 3.04Å
258	Y	67.9	Low	75.1	Confident	142 Å²	142	42.6 Å²	42.6	56%	0.557	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	-177.9	-83.5	-42.5	0	0	0	114.4	D131 N241 G260	D131-Y258 PolarHBondContact OD1-OH 3.12Å; D131-Y258 PolarHBondContact OD2-OH 3.41Å; N241-Y258 HydrophobicContact CB-CD2 3.28Å; N241-Y258 HydrophobicContact CB-CE2 4.01Å; N241-Y258 HydrophobicContact CB-CG 4.09Å; N241-Y258 WeakPolarHBondContact ND2-CD2 3.14Å; Y258-G260 VanDerWaalsContact C-N 3.31Å
259	G	70	Confident	75.1	Confident	53 Å²	53	45.1 Å²	45.1	55%	0.546	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.1	175.3	0	0	0	0	0	113.5	S240 C257 E261	S240-G259 WeakPolarHBondContact OG-CA 2.83Å; S240-G259 PolarHBondContact OG-N 3.16Å; C257-G259 PolarHBondContact O-N 2.94Å; C257-G259 VanDerWaalsContact O-N 3.15Å; G259-E261 WeakPolarHBondContact CA-OE2 3.11Å; G259-E261 PolarHBondContact N-OE2 2.72Å; G259-E261 PolarHBondContact O-N 3.23Å
260	G	75.3	Confident	75	Confident	18 Å²	18	45.7 Å²	45.7	19%	0.186	27%	0.269	C	S	.	.			trans	60.8	19.1	-168.7	0	0	0	0	0	113.1	C257 Y258 D262 E263 D264	C257-G260 PolarHBondContact O-N 2.93Å; Y258-G260 VanDerWaalsContact C-N 3.31Å; G260-D262 WeakPolarHBondContact CA-OD1 2.96Å; G260-D262 PolarHBondContact O-N 2.75Å; G260-E263 PolarHBondContact O-N 3.2Å; G260-E263 VanDerWaalsContact O-N 3.12Å; G260-D264 PolarHBondContact O-N 2.87Å
261	E	80.6	Confident	74.2	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.112	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-62.8	-30.8	-177.4	64.6	-95.7	-146.3	0	0	112	C238 Q239 S240 C257 G259 E263 D264 H268	C238-E261 WeakPolarHBondContact CA-OE1 3.07Å; C238-E261 WeakPolarHBondContact CB-OE1 3.17Å; Q239-E261 PolarHBondContact N-OE1 3.15Å; S240-E261 WeakPolarHBondContact CB-OE1 3.3Å; S240-E261 PolarHBondContact N-OE1 3.09Å; S240-E261 PolarHBondContact OG-OE1 3.35Å; S240-E261 PolarHBondContact OG-OE2 2.9Å; C257-E261 HydrophobicContact CB-CG 3.86Å; C257-E261 WeakPolarHBondContact CB-OE1 3.3Å; C257-E261 WeakPolarHBondContact CB-OE2 3.45Å; G259-E261 WeakPolarHBondContact CA-OE2 3.11Å; G259-E261 PolarHBondContact N-OE2 2.72Å; G259-E261 PolarHBondContact O-N 3.23Å; E261-E263 PolarHBondContact O-N 2.63Å; E261-D264 WeakPolarHBondContact O-CB 3.42Å; E261-D264 PolarHBondContact O-N 3.28Å; E261-H268 PolarHBondContact O-CD2 2.74Å; E261-H268 PolarHBondContact O-NE2 2.94Å
262	D	80.9	Confident	72.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.5	175.8	53.9	-39.4	0	0	0	113.6	I245 C251 D256 C257 G260	I245-D262 HydrophobicContact CD1-CB 3.74Å; C251-D262 PolarHBondContact N-O 3.25Å; D256-D262 WeakPolarHBondContact CA-OD2 3.43Å; D256-D262 WeakPolarHBondContact CB-OD2 3.28Å; D256-D262 PolarHBondContact N-OD2 3.2Å; C257-D262 HydrophobicContact CB-CB 4.27Å; C257-D262 WeakPolarHBondContact CB-OD1 3.16Å; C257-D262 PolarHBondContact N-OD1 3.11Å; C257-D262 PolarHBondContact N-OD2 3.04Å; G260-D262 WeakPolarHBondContact CA-OD1 2.96Å; G260-D262 PolarHBondContact O-N 2.75Å
263	E	81.6	Confident	70.7	Confident	29 Å²	29	59.5 Å²	59.5	14%	0.136	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-102.5	-0.6	177.5	-67	-59.6	142	0	0	113.1	C251 D252 M253 S254 G260 E261 L265 R295	C251-E263 VanDerWaalsContact C-OE1 3.26Å; C251-E263 WeakPolarHBondContact CA-OE1 3.27Å; C251-E263 PolarHBondContact N-OE1 3.2Å; D252-E263 PolarHBondContact N-OE1 3.05Å; M253-E263 VanDerWaalsContact CA-OE2 3.29Å; M253-E263 WeakPolarHBondContact CA-OE2 3.47Å; M253-E263 PolarHBondContact N-OE1 2.74Å; M253-E263 PolarHBondContact N-OE2 3.06Å; S254-E263 VanDerWaalsContact O-CG 3.29Å; S254-E263 WeakPolarHBondContact O-CG 3.49Å; G260-E263 PolarHBondContact O-N 3.2Å; G260-E263 VanDerWaalsContact O-N 3.12Å; E261-E263 PolarHBondContact O-N 2.63Å; E263-L265 PolarHBondContact O-N 2.74Å; E263-R295 IonicContact OE2-CZ 3.18Å; E263-R295 IonicContact OE2-NH2 3.45Å; E263-R295 PolarHBondContact OE2-NH2 2.9Å
264	D	79.7	Confident	68.4	Low	66 Å²	66	60.3 Å²	60.3	35%	0.353	34%	0.343	S	S	.	.			trans	-69	117.1	-177.5	-173.8	3.5	0	0	0	111.3	G260 E261 S266 A267 H268	G260-D264 PolarHBondContact O-N 2.87Å; E261-D264 WeakPolarHBondContact O-CB 3.42Å; E261-D264 PolarHBondContact O-N 3.28Å; D264-S266 VanDerWaalsContact CG-OG 3.28Å; D264-S266 PolarHBondContact O-N 3.11Å; D264-S266 WeakPolarHBondContact OD1-CB 3.29Å; D264-S266 PolarHBondContact OD1-N 2.88Å; D264-S266 PolarHBondContact OD1-OG 2.65Å; D264-S266 VanDerWaalsContact OD1-OG 3.13Å; D264-S266 PolarHBondContact OD2-OG 3.45Å; D264-A267 HydrophobicContact CB-CB 4.03Å; D264-A267 PolarHBondContact O-N 2.99Å; D264-H268 PolarHBondContact O-N 3.38Å
265	L	72.4	Confident	65.9	Low	95 Å²	95	68.6 Å²	68.6	50%	0.497	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	175.5	-77.2	159.1	0	0	0	112.7	E263 N269 C270 S271	E263-L265 PolarHBondContact O-N 2.74Å; L265-N269 VanDerWaalsContact O-CA 3.26Å; L265-N269 WeakPolarHBondContact O-CA 3.4Å; L265-N269 PolarHBondContact O-N 3.32Å; L265-C270 HydrophobicContact CD2-CB 4.06Å; L265-S271 VanDerWaalsContact CD2-CB 3.48Å
266	S	68.2	Low	63.6	Low	101 Å²	101	70.7 Å²	70.7	71%	0.706	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-37.6	-178.7	83.5	0	0	0	0	112.4	D264	D264-S266 VanDerWaalsContact CG-OG 3.28Å; D264-S266 PolarHBondContact O-N 3.11Å; D264-S266 WeakPolarHBondContact OD1-CB 3.29Å; D264-S266 PolarHBondContact OD1-N 2.88Å; D264-S266 PolarHBondContact OD1-OG 2.65Å; D264-S266 VanDerWaalsContact OD1-OG 3.13Å; D264-S266 PolarHBondContact OD2-OG 3.45Å
267	A	71.9	Confident	61.3	Low	58 Å²	58	74.3 Å²	74.3	48%	0.479	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-44.4	-179	0	0	0	0	0	112.8	D264	D264-A267 HydrophobicContact CB-CB 4.03Å; D264-A267 PolarHBondContact O-N 2.99Å
268	H	70.8	Confident	59	Low	53 Å²	53	79.7 Å²	79.7	25%	0.245	45%	0.446	C	S	.	.	S	Bend	trans	-117.4	4.2	-170.5	-58.3	-53.1	0	0	0	114.2	Y236 L250 E261 D264 C270	Y236-H268 AromaticContact CE2-CE1 3.69Å; Y236-H268 AromaticContact CZ-CE1 3.68Å; Y236-H268 AromaticContact CZ-NE2 3.67Å; Y236-H268 PolarHBondContact OH-CE1 2.75Å; Y236-H268 PolarHBondContact OH-NE2 3.21Å; L250-H268 HydrophobicContact CD2-CB 3.91Å; L250-H268 WeakPolarHBondContact CD2-CD2 3.49Å; L250-H268 WeakPolarHBondContact CD2-ND1 3.33Å; E261-H268 PolarHBondContact O-CD2 2.74Å; E261-H268 PolarHBondContact O-NE2 2.94Å; D264-H268 PolarHBondContact O-N 3.38Å; H268-C270 PolarHBondContact O-N 3.03Å
269	N	67.3	Low	57.5	Low	72 Å²	72	77.6 Å²	77.6	39%	0.385	45%	0.452	S	S	.	.			trans	54	39.3	175.2	-159	16.8	0	0	0	113.6	L265 S271 K272	L265-N269 VanDerWaalsContact O-CA 3.26Å; L265-N269 WeakPolarHBondContact O-CA 3.4Å; L265-N269 PolarHBondContact O-N 3.32Å; N269-S271 PolarHBondContact O-N 2.92Å; N269-K272 WeakPolarHBondContact OD1-CB 3.02Å; N269-K272 WeakPolarHBondContact OD1-CD 3.01Å; N269-K272 WeakPolarHBondContact OD1-CG 3.48Å
270	C	71.1	Confident	55.7	Low	12 Å²	12	82.6 Å²	82.6	8%	0.081	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-1.9	-172	-56.1	0	0	0	0	115.2	C251 L265 H268 R295	C251-C270 HydrophobicContact CB-CB 3.5Å; C251-C270 WeakPolarHBondContact CB-SG 3.06Å; C251-C270 WeakPolarHBondContact SG-CA 3.26Å; C251-C270 WeakPolarHBondContact SG-CB 3.29Å; C251-C270 CovalentContact SG-SG 2.03Å; C251-C270 PolarHBondContact SG-SG 3.43Å; L265-C270 HydrophobicContact CD2-CB 4.06Å; H268-C270 PolarHBondContact O-N 3.03Å; C270-R295 WeakPolarHBondContact O-CD 3.04Å; C270-R295 PolarHBondContact O-NH1 2.97Å
271	S	58.9	Low	53.4	Low	69 Å²	69	88 Å²	88	48%	0.483	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	16.1	180	-60.7	0	0	0	0	118.4	L265 N269 Q273 R295	L265-S271 VanDerWaalsContact CD2-CB 3.48Å; N269-S271 PolarHBondContact O-N 2.92Å; S271-Q273 PolarHBondContact O-N 2.84Å; S271-Q273 VanDerWaalsContact O-N 3.09Å; S271-R295 PolarHBondContact OG-NH1 3.47Å
272	K	44.1	Very low	50.9	Low	143 Å²	143	92.5 Å²	92.5	62%	0.622	53%	0.531	S	S	*	.			trans	-77.6	105.8	178	-75.8	179.7	-169.2	169.3	0	113.2	N269 V274	N269-K272 WeakPolarHBondContact OD1-CB 3.02Å; N269-K272 WeakPolarHBondContact OD1-CD 3.01Å; N269-K272 WeakPolarHBondContact OD1-CG 3.48Å; K272-V274 HydrophobicContact CB-CG2 4.21Å; K272-V274 PolarHBondContact O-N 2.83Å; K272-V274 VanDerWaalsContact O-N 3.15Å
273	Q	37.4	Very low	48.4	Very low	129 Å²	129	103 Å²	103	60%	0.603	58%	0.577	S	S	*	*			trans	-57.6	108.6	148.9	-80.8	-177.1	-30.8	0	0	108.5	S271	S271-Q273 PolarHBondContact O-N 2.84Å; S271-Q273 VanDerWaalsContact O-N 3.09Å
274	V	31.5	Very low	45.9	Very low	66 Å²	66	106.7 Å²	106.7	40%	0.4	61%	0.605	S	S	.	*			trans	-96.5	107.1	174	173.4	0	0	0	0	108.5	K272 L276 R289	K272-V274 HydrophobicContact CB-CG2 4.21Å; K272-V274 PolarHBondContact O-N 2.83Å; K272-V274 VanDerWaalsContact O-N 3.15Å; V274-L276 PolarHBondContact O-N 2.76Å; V274-R289 VanDerWaalsContact CB-NH2 3.25Å; V274-R289 VanDerWaalsContact CG1-NH2 3.25Å
275	F	27	Very low	43.6	Very low	183 Å²	183	109.2 Å²	109.2	80%	0.803	62%	0.623	S	S	*	*			trans	-64.9	114.6	154.7	-81	-93.7	0	0	0	107.1	S277	F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 3.45Å
276	L	29.1	Very low	41.7	Very low	146 Å²	146	111.5 Å²	111.5	76%	0.764	63%	0.634	S	S	*	*			trans	-70.4	90.7	175.2	-87.7	151.3	0	0	0	109.1	V274	V274-L276 PolarHBondContact O-N 2.76Å
277	S	25.6	Very low	40.1	Very low	100 Å²	100	111.5 Å²	111.5	70%	0.699	63%	0.634	S	S	*	*			trans	-89.8	120.4	153.6	168.4	0	0	0	0	107.9	F275	F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 3.45Å
278	T	28.5	Very low	38.7	Very low	115 Å²	115	111.4 Å²	111.4	71%	0.706	64%	0.639	S	S	*	*	S	Bend	trans	31.9	114.7	150	-23.8	0	0	0	0	120
279	S	35.8	Very low	38.1	Very low	98 Å²	98	116.2 Å²	116.2	69%	0.685	66%	0.655	S	S	*	*	S	Bend	trans	49.7	121.6	146.6	63	0	0	0	0	121.3
280	N	31.6	Very low	38	Very low	158 Å²	158	116.6 Å²	116.6	85%	0.845	66%	0.659	S	S	*	*			trans	79.6	98.1	158	-68.9	-6.1	0	0	0	119.5
281	C	27.3	Very low	37.9	Very low	132 Å²	132	118 Å²	118	89%	0.892	67%	0.668	S	S	*	*			trans	-156.5	155.3	138	-109.6	0	0	0	0	113.1
282	P	29.2	Very low	38.5	Very low	117 Å²	117	118.9 Å²	118.9	76%	0.76	67%	0.672	S	S	*	*			trans	-93.2	166.8	-160.5	37.2	-34.1	0	0	0	115.2	S284	P282-S284 PolarHBondContact O-N 3.16Å
283	K	27.6	Very low	40	Very low	222 Å²	222	112.9 Å²	112.9	97%	0.965	65%	0.651	S	S	*	*			trans	-31.7	103.6	177	-66.6	173.5	176.4	178.9	0	115.2
284	S	28.9	Very low	42	Very low	106 Å²	106	108.4 Å²	108.4	74%	0.741	64%	0.64	S	S	*	*			trans	-163.7	113.1	157.5	177.1	0	0	0	0	109.6	P282	P282-S284 PolarHBondContact O-N 3.16Å
285	V	32.3	Very low	44.5	Very low	119 Å²	119	108.3 Å²	108.3	72%	0.721	63%	0.632	S	S	*	*			trans	41.4	90.3	164	-166.4	0	0	0	0	116.7	S287	V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 2.75Å; V285-S287 VanDerWaalsContact O-N 3.13Å
286	I	31.3	Very low	47.4	Very low	143 Å²	143	100.6 Å²	100.6	73%	0.733	60%	0.601	S	S	*	*			trans	-80.9	82.3	157.9	-56.9	174.8	0	0	0	107.1
287	S	36.1	Very low	50.2	Low	100 Å²	100	96.5 Å²	96.5	70%	0.699	58%	0.58	S	S	*	*			trans	-110.2	131.2	160.4	177.4	0	0	0	0	108.1	V285	V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 2.75Å; V285-S287 VanDerWaalsContact O-N 3.13Å
288	G	42.3	Very low	53.3	Low	56 Å²	56	93.7 Å²	93.7	58%	0.577	56%	0.555	S	S	*	*			trans	76.6	56.2	150.8	0	0	0	0	0	118.5	V290	G288-V290 VanDerWaalsContact C-N 3.34Å; G288-V290 PolarHBondContact O-N 3.4Å; G288-V290 VanDerWaalsContact O-N 3.09Å
289	R	57	Low	56.2	Low	155 Å²	155	90.6 Å²	90.6	59%	0.585	53%	0.532	S	S	*	.			trans	-74.8	92.6	152.3	-92.8	-171.4	-171.6	166.7	6.5	109.1	V274	V274-R289 VanDerWaalsContact CB-NH2 3.25Å; V274-R289 VanDerWaalsContact CG1-NH2 3.25Å
290	V	66.3	Low	58.5	Low	79 Å²	79	93.4 Å²	93.4	48%	0.479	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-76.8	128.1	173.4	-168.7	0	0	0	0	109	G288	G288-V290 VanDerWaalsContact C-N 3.34Å; G288-V290 PolarHBondContact O-N 3.4Å; G288-V290 VanDerWaalsContact O-N 3.09Å
291	P	67.9	Low	61.1	Low	41 Å²	41	87.4 Å²	87.4	27%	0.266	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-63.9	155.9	-179.8	23.6	-32.3	0	0	0	112.4	G293 G294 F369	P291-G293 PolarHBondContact O-N 3.49Å; P291-G294 WeakPolarHBondContact O-CA 3.45Å; P291-G294 PolarHBondContact O-N 2.88Å; P291-F369 HydrophobicContact CB-CD1 3.75Å; P291-F369 HydrophobicContact CB-CE1 4.29Å; P291-F369 HydrophobicContact CG-CB 4.28Å; P291-F369 HydrophobicContact CG-CD1 3.37Å; P291-F369 HydrophobicContact CG-CE1 3.89Å; P291-F369 HydrophobicContact CG-CG 3.99Å
292	P	70.9	Confident	64	Low	88 Å²	88	83.5 Å²	83.5	57%	0.571	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	129	177.2	11.3	-21.4	0	0	0	111.9	G294	P292-G294 VanDerWaalsContact C-N 3.34Å
293	G	76.5	Confident	66.8	Low	18 Å²	18	79.9 Å²	79.9	19%	0.186	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-3.6	-174.4	0	0	0	0	0	115.2	P291 C303 W305	P291-G293 PolarHBondContact O-N 3.49Å; G293-C303 WeakPolarHBondContact CA-O 3.4Å; G293-W305 PolarHBondContact O-NE1 3.35Å
294	G	79.3	Confident	69.6	Low	35 Å²	35	71.6 Å²	71.6	36%	0.361	44%	0.442	S	S	.	.	S	Bend	trans	-80.1	-23.2	178.5	0	0	0	0	0	114.9	P291 P292	P291-G294 WeakPolarHBondContact O-CA 3.45Å; P291-G294 PolarHBondContact O-N 2.88Å; P292-G294 VanDerWaalsContact C-N 3.34Å
295	R	84	Confident	72.4	Confident	64 Å²	64	69.5 Å²	69.5	24%	0.242	42%	0.418	C	S	.	.	S	Bend	trans	-108.2	115.3	167	-163.2	177.9	-170.3	-156.5	6.2	108.4	M253 E263 C270 S271	M253-R295 HydrophobicContact CE-CG 3.73Å; M253-R295 HydrophobicContact CG-CG 4.27Å; M253-R295 HydrophobicContact SD-CG 3.64Å; E263-R295 IonicContact OE2-CZ 3.18Å; E263-R295 IonicContact OE2-NH2 3.45Å; E263-R295 PolarHBondContact OE2-NH2 2.9Å; C270-R295 WeakPolarHBondContact O-CD 3.04Å; C270-R295 PolarHBondContact O-NH1 2.97Å; S271-R295 PolarHBondContact OG-NH1 3.47Å
296	C	87.4	Confident	74.9	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.135	41%	0.408	C	S	.	.			trans	-143.3	117.6	-175.7	-166.1	0	0	0	0	111.4	C303	C296-C303 WeakPolarHBondContact CA-SG 3.23Å; C296-C303 HydrophobicContact CB-CB 3.58Å; C296-C303 WeakPolarHBondContact CB-SG 3.27Å; C296-C303 WeakPolarHBondContact SG-CB 3.39Å; C296-C303 CovalentContact SG-SG 2.03Å; C296-C303 PolarHBondContact SG-SG 2.79Å
297	N	88	Confident	77.2	Confident	61 Å²	61	62.8 Å²	62.8	33%	0.326	39%	0.386	S	S	.	.			trans	-103.8	6.1	173.6	66.3	-9.2	0	0	0	112.7	M253 E299 T340	M253-N297 HydrophobicContact SD-CB 4.16Å; N297-E299 PolarHBondContact O-N 3.44Å; N297-E299 PolarHBondContact OD1-N 3.29Å; N297-T340 HydrophobicContact CB-CG2 4.1Å
298	F	90.4	Very high	78.7	Confident	40 Å²	40	60.8 Å²	60.8	18%	0.175	37%	0.369	C	S	.	.	S	Bend	trans	58.8	9	-177.8	-46.7	-72.4	0	0	0	116.5	N300 G301 R317 H347 M349 F364	F298-N300 PolarHBondContact O-N 3Å; F298-G301 CarbonylContact C-O 3.57Å; F298-G301 VanDerWaalsContact CA-O 3.28Å; F298-G301 WeakPolarHBondContact CA-O 3.41Å; F298-R317 PolarHBondContact O-NE 3.07Å; F298-R317 PolarHBondContact O-NH2 2.91Å; F298-H347 HydrophobicContact CB-CB 4.37Å; F298-M349 HydrophobicContact CD1-CG 3.79Å; F298-M349 HydrophobicContact CD1-SD 4.14Å; F298-M349 HydrophobicContact CD2-CG 4.33Å; F298-M349 HydrophobicContact CE1-CG 3.59Å; F298-M349 HydrophobicContact CE1-SD 4.35Å; F298-M349 HydrophobicContact CE2-CG 4.15Å; F298-M349 HydrophobicContact CG-CG 4.16Å; F298-M349 HydrophobicContact CZ-CG 3.78Å; F298-F364 AromaticContact CE1-CE1 3.95Å; F298-F364 HydrophobicContact CE1-CE1 3.95Å; F298-F364 HydrophobicContact CE1-CZ 4.03Å; F298-F364 HydrophobicContact CZ-CE1 4.15Å
299	E	89.3	Confident	79.4	Confident	50 Å²	50	63.2 Å²	63.2	23%	0.234	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-33	179.7	-68	-49.5	133.4	0	0	112.7	N297 R317 M341 G346 H347	N297-E299 PolarHBondContact O-N 3.44Å; N297-E299 PolarHBondContact OD1-N 3.29Å; E299-R317 PolarHBondContact O-NH2 2.77Å; E299-M341 HydrophobicContact CG-CG 4.36Å; E299-M341 HydrophobicContact CG-SD 4.26Å; E299-G346 VanDerWaalsContact OE1-CA 3.29Å; E299-G346 WeakPolarHBondContact OE1-CA 3.36Å; E299-H347 PolarHBondContact OE1-N 3.25Å; E299-H347 IonicContact OE1-ND1 3.86Å; E299-H347 IonicContact OE2-CE1 3.85Å; E299-H347 IonicContact OE2-CG 3.12Å; E299-H347 IonicContact OE2-ND1 3.07Å; E299-H347 PolarHBondContact OE2-ND1 2.99Å
300	N	85.9	Confident	79.4	Confident	158 Å²	158	63.4 Å²	63.4	85%	0.845	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	62.3	179.1	-160.9	15.8	0	0	0	111.9	F298	F298-N300 PolarHBondContact O-N 3Å
301	G	85.9	Confident	78.9	Confident	32 Å²	32	60.4 Å²	60.4	33%	0.33	37%	0.372	S	S	.	.	S	Bend	trans	87.1	-157.8	-178.4	0	0	0	0	0	113.5	F298	F298-G301 CarbonylContact C-O 3.57Å; F298-G301 VanDerWaalsContact CA-O 3.28Å; F298-G301 WeakPolarHBondContact CA-O 3.41Å
302	T	88.3	Confident	78.6	Confident	49 Å²	49	65.3 Å²	65.3	30%	0.301	39%	0.392	S	S	.	.			trans	-101.1	9.7	-175.9	62.7	0	0	0	0	113.8	G304 W305 M349	T302-G304 PolarHBondContact O-N 2.81Å; T302-W305 WeakPolarHBondContact CB-O 3.29Å; T302-W305 VanDerWaalsContact O-CB 3.28Å; T302-W305 WeakPolarHBondContact O-CB 3.32Å; T302-W305 PolarHBondContact O-N 3.18Å; T302-W305 PolarHBondContact OG1-O 3.29Å; T302-M349 HydrophobicContact CG2-SD 4.32Å
303	C	87.7	Confident	78.3	Confident	42 Å²	42	62.8 Å²	62.8	28%	0.284	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.3	-177.4	-37.3	0	0	0	0	114.2	G293 C296 W305 P367	G293-C303 WeakPolarHBondContact CA-O 3.4Å; C296-C303 WeakPolarHBondContact CA-SG 3.23Å; C296-C303 HydrophobicContact CB-CB 3.58Å; C296-C303 WeakPolarHBondContact CB-SG 3.27Å; C296-C303 WeakPolarHBondContact SG-CB 3.39Å; C296-C303 CovalentContact SG-SG 2.03Å; C296-C303 PolarHBondContact SG-SG 2.79Å; C303-W305 VanDerWaalsContact C-N 3.34Å; C303-P367 WeakPolarHBondContact O-CG 3.01Å
304	G	85.3	Confident	78	Confident	48 Å²	48	69.6 Å²	69.6	50%	0.495	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-0.6	-177.7	0	0	0	0	0	115.1	T302	T302-G304 PolarHBondContact O-N 2.81Å
305	W	88.3	Confident	78.1	Confident	62 Å²	62	71.3 Å²	71.3	24%	0.235	39%	0.388	C	S	.	.			trans	-69.3	140.8	171	-67.7	70.3	0	0	0	110.7	G293 T302 C303 F364 T365 S366	G293-W305 PolarHBondContact O-NE1 3.35Å; T302-W305 WeakPolarHBondContact CB-O 3.29Å; T302-W305 VanDerWaalsContact O-CB 3.28Å; T302-W305 WeakPolarHBondContact O-CB 3.32Å; T302-W305 PolarHBondContact O-N 3.18Å; T302-W305 PolarHBondContact OG1-O 3.29Å; C303-W305 VanDerWaalsContact C-N 3.34Å; W305-F364 HydrophobicContact CB-CD1 4.39Å; W305-F364 HydrophobicContact CB-CE1 3.62Å; W305-F364 HydrophobicContact CB-CE2 3.75Å; W305-F364 HydrophobicContact CB-CZ 3.26Å; W305-F364 HydrophobicContact CD2-CD1 4.29Å; W305-F364 AromaticContact CD2-CE1 3.94Å; W305-F364 HydrophobicContact CD2-CE1 3.94Å; W305-F364 AromaticContact CE3-CD1 3.57Å; W305-F364 HydrophobicContact CE3-CD1 3.57Å; W305-F364 AromaticContact CE3-CE1 3.71Å; W305-F364 HydrophobicContact CE3-CE1 3.71Å; W305-F364 HydrophobicContact CE3-CG 4.26Å; W305-F364 HydrophobicContact CE3-CZ 4.49Å; W305-F364 AromaticContact CG-CE1 3.96Å; W305-F364 HydrophobicContact CG-CE1 3.96Å; W305-F364 HydrophobicContact CG-CZ 4.08Å; W305-F364 HydrophobicContact CZ3-CD1 4.23Å; W305-T365 CarbonylContact C-O 3.52Å; W305-T365 VanDerWaalsContact CA-O 3.29Å; W305-T365 WeakPolarHBondContact CA-O 3.24Å; W305-S366 VanDerWaalsContact CE3-CA 3.49Å; W305-S366 VanDerWaalsContact CH2-CB 3.49Å; W305-S366 VanDerWaalsContact CZ2-CB 3.5Å
306	T	85.9	Confident	78.1	Confident	83 Å²	83	74 Å²	74	51%	0.509	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.6	-173.2	55.6	0	0	0	0	111.7	T365	T306-T365 PolarHBondContact N-O 3.09Å; T306-T365 PolarHBondContact O-N 3.05Å
307	S	78.2	Confident	78.1	Confident	38 Å²	38	76.8 Å²	76.8	27%	0.266	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.3	170.1	-170	0	0	0	0	108.4	W315 F363	S307-W315 PolarHBondContact OG-N 2.88Å; S307-F363 WeakPolarHBondContact CA-O 3.49Å; S307-F363 PolarHBondContact OG-O 3.46Å
308	T	67.1	Low	78	Confident	57 Å²	57	74 Å²	74	35%	0.35	39%	0.391	S	S	.	.			trans	-73.9	142.5	175.2	32.2	0	0	0	0	110.7	D310 F363	T308-D310 VanDerWaalsContact C-N 3.3Å; T308-D310 PolarHBondContact O-N 2.75Å; T308-F363 WeakPolarHBondContact OG1-CB 3.07Å
309	S	57	Low	77.8	Confident	107 Å²	107	73.3 Å²	73.3	75%	0.748	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.1	-176.7	47.3	0	0	0	0	114.6	S311	S309-S311 PolarHBondContact O-N 3.47Å
310	D	57	Low	77.4	Confident	160 Å²	160	71.4 Å²	71.4	86%	0.856	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.9	-172.3	-74.8	-15.1	0	0	0	114.5	T308	T308-D310 VanDerWaalsContact C-N 3.3Å; T308-D310 PolarHBondContact O-N 2.75Å
311	S	56.7	Low	76.9	Confident	15 Å²	15	67.3 Å²	67.3	11%	0.105	36%	0.362	C	S	.	.	S	Bend	trans	-115.9	135.7	175.1	56.4	0	0	0	0	111.7	S309 F313 R361	S309-S311 PolarHBondContact O-N 3.47Å; S311-F313 PolarHBondContact O-N 3.25Å; S311-F313 VanDerWaalsContact O-N 3.16Å; S311-F313 PolarHBondContact OG-O 2.78Å; S311-R361 WeakPolarHBondContact CB-O 3.44Å; S311-R361 PolarHBondContact OG-O 3.47Å
312	E	60.5	Low	76.5	Confident	145 Å²	145	70.4 Å²	70.4	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-57.4	-27.8	173.9	-76.1	-175.1	154	0	0	112.4	S356 L360	E312-S356 WeakPolarHBondContact OE2-CB 3.15Å; E312-L360 HydrophobicContact CB-CD1 4.35Å; E312-L360 VanDerWaalsContact OE2-CD1 3.28Å; E312-L360 WeakPolarHBondContact OE2-CD1 3.08Å
313	F	66.3	Low	75.7	Confident	35 Å²	35	68.4 Å²	68.4	15%	0.154	35%	0.354	C	S	.	.	S	Bend	trans	-85	119.8	172.3	-70.1	-90.7	0	0	0	110.4	S311 I351 E352 L360 A362	S311-F313 PolarHBondContact O-N 3.25Å; S311-F313 VanDerWaalsContact O-N 3.16Å; S311-F313 PolarHBondContact OG-O 2.78Å; F313-I351 HydrophobicContact CB-CG2 4.07Å; F313-I351 HydrophobicContact CD1-CG2 3.71Å; F313-I351 HydrophobicContact CG-CG2 4.34Å; F313-E352 VanDerWaalsContact CD1-O 3.3Å; F313-E352 WeakPolarHBondContact CD1-O 3.3Å; F313-L360 HydrophobicContact CD2-CB 3.5Å; F313-L360 VanDerWaalsContact CD2-CB 3.5Å; F313-L360 HydrophobicContact CD2-CD1 4.06Å; F313-L360 HydrophobicContact CD2-CG 4.42Å; F313-L360 HydrophobicContact CE2-CB 3.5Å; F313-L360 HydrophobicContact CE2-CD1 3.64Å; F313-L360 HydrophobicContact CE2-CG 4.18Å; F313-A362 HydrophobicContact CB-CB 3.81Å
314	R	69.5	Low	74.8	Confident	161 Å²	161	73.3 Å²	73.3	61%	0.608	37%	0.366	S	S	*	.			trans	-114.3	133.1	-177.1	-153.2	-176.6	-62.3	160.5	2	110.5
315	W	81.6	Confident	74	Confident	70 Å²	70	80.4 Å²	80.4	27%	0.265	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.9	171.2	-75.3	93.2	0	0	0	109.9	S307 M349 I351 F364	S307-W315 PolarHBondContact OG-N 2.88Å; W315-M349 HydrophobicContact CB-CE 3.7Å; W315-M349 HydrophobicContact CE3-CB 3.68Å; W315-M349 HydrophobicContact CZ3-CB 3.94Å; W315-I351 HydrophobicContact CD2-CD1 4.17Å; W315-I351 HydrophobicContact CD2-CG1 3.51Å; W315-I351 VanDerWaalsContact CE2-CG1 3.45Å; W315-I351 HydrophobicContact CE3-CD1 4.45Å; W315-I351 HydrophobicContact CE3-CG1 3.66Å; W315-I351 HydrophobicContact CG-CG1 4.17Å; W315-I351 HydrophobicContact CH2-CD1 3.74Å; W315-I351 HydrophobicContact CH2-CG1 3.82Å; W315-I351 HydrophobicContact CZ2-CD1 3.35Å; W315-I351 HydrophobicContact CZ2-CG1 3.65Å; W315-I351 HydrophobicContact CZ3-CD1 4.26Å; W315-I351 HydrophobicContact CZ3-CG1 3.82Å; W315-F364 HydrophobicContact CB-CD2 4.12Å; W315-F364 HydrophobicContact CD2-CB 4.28Å; W315-F364 HydrophobicContact CG-CB 4.11Å; W315-F364 HydrophobicContact CG-CD2 4.23Å; W315-F364 HydrophobicContact CG-CG 4.35Å
316	R	83.6	Confident	72.9	Confident	121 Å²	121	80 Å²	80	46%	0.457	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.9	177.1	-60.1	-173	85.3	-175.8	4.9	110.8	V318 M349 Y350 E352	R316-V318 HydrophobicContact CB-CG1 4.23Å; R316-V318 PolarHBondContact O-N 3.36Å; R316-M349 WeakPolarHBondContact O-CA 3.42Å; R316-Y350 PolarHBondContact N-O 3Å; R316-Y350 PolarHBondContact O-N 3.09Å; R316-E352 VanDerWaalsContact CD-CD 3.44Å; R316-E352 WeakPolarHBondContact CD-OE1 3.38Å; R316-E352 IonicContact CZ-OE1 2.74Å; R316-E352 IonicContact NE-OE1 2.78Å; R316-E352 IonicContact NH1-OE1 3.67Å; R316-E352 PolarHBondContact NH1-OE1 3.21Å; R316-E352 IonicContact NH1-OE2 3.7Å
317	R	88	Confident	71.8	Confident	78 Å²	78	78.8 Å²	78.8	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.2	171.7	-176.5	-178.3	170	-84.3	-1	108.7	F298 E299 H347 F348 M349	F298-R317 PolarHBondContact O-NE 3.07Å; F298-R317 PolarHBondContact O-NH2 2.91Å; E299-R317 PolarHBondContact O-NH2 2.77Å; R317-H347 HydrophobicContact CG-CB 4.16Å; R317-H347 PolarHBondContact NH1-CD2 3.3Å; R317-H347 PolarHBondContact NH1-NE2 2.82Å; R317-H347 PolarHBondContact NH2-CD2 2.74Å; R317-H347 VanDerWaalsContact NH2-CD2 3.28Å; R317-H347 PolarHBondContact NH2-CE1 2.9Å; R317-H347 VanDerWaalsContact NH2-CE1 3.32Å; R317-H347 PolarHBondContact NH2-ND1 3.28Å; R317-H347 PolarHBondContact NH2-NE2 2.8Å; R317-F348 WeakPolarHBondContact CA-O 3.37Å; R317-M349 HydrophobicContact CB-SD 3.7Å; R317-M349 HydrophobicContact CG-SD 4.32Å
318	V	86.5	Confident	70.7	Confident	4 Å²	4	86.9 Å²	86.9	2%	0.024	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.1	-176.6	-60.3	0	0	0	0	110.3	R316 H322 I326 H347 F348 Y350	R316-V318 HydrophobicContact CB-CG1 4.23Å; R316-V318 PolarHBondContact O-N 3.36Å; V318-H322 HydrophobicContact CB-CB 4.06Å; V318-H322 HydrophobicContact CG1-CB 4.32Å; V318-I326 HydrophobicContact CG1-CD1 4.2Å; V318-H347 WeakPolarHBondContact O-CA 3.2Å; V318-F348 HydrophobicContact CG2-CD2 3.99Å; V318-F348 HydrophobicContact CG2-CE1 4.38Å; V318-F348 HydrophobicContact CG2-CE2 3.52Å; V318-F348 HydrophobicContact CG2-CZ 3.74Å; V318-F348 PolarHBondContact N-O 2.89Å; V318-F348 PolarHBondContact O-N 2.87Å; V318-Y350 VanDerWaalsContact CG2-CB 3.41Å; V318-Y350 HydrophobicContact CG2-CG 4.16Å
319	N	85.8	Confident	69.8	Low	25 Å²	25	91.4 Å²	91.4	13%	0.134	42%	0.422	C	S	.	.			trans	-114.9	-179.7	164	68.7	5.8	0	0	0	108.7	T321 H322 R323 G346	N319-T321 VanDerWaalsContact C-N 3.25Å; N319-T321 VanDerWaalsContact CG-OG1 3.28Å; N319-T321 PolarHBondContact ND2-OG1 2.66Å; N319-T321 PolarHBondContact O-N 2.8Å; N319-T321 PolarHBondContact OD1-N 3.14Å; N319-T321 VanDerWaalsContact OD1-N 3.16Å; N319-T321 PolarHBondContact OD1-OG1 2.78Å; N319-H322 PolarHBondContact O-N 3.12Å; N319-H322 WeakPolarHBondContact OD1-CB 3.07Å; N319-H322 PolarHBondContact OD1-N 3.39Å; N319-R323 PolarHBondContact O-N 3.43Å; N319-G346 WeakPolarHBondContact CA-O 2.76Å; N319-G346 VanDerWaalsContact CB-O 3.24Å; N319-G346 WeakPolarHBondContact CB-O 3.4Å
320	V	79.6	Confident	69.2	Low	9 Å²	9	89 Å²	89	6%	0.055	41%	0.413	C	S	.	.	H	α-helix	trans	-55.5	-41.9	-179.6	179.7	0	0	0	0	111.8	R324	V320-R324 PolarHBondContact O-N 3.27Å
321	T	77	Confident	68.7	Low	73 Å²	73	87.9 Å²	87.9	45%	0.448	41%	0.407	S	S	.	.	H	α-helix	trans	-69.8	-35.2	-178.7	56	0	0	0	0	113.5	N319	N319-T321 VanDerWaalsContact C-N 3.25Å; N319-T321 VanDerWaalsContact CG-OG1 3.28Å; N319-T321 PolarHBondContact ND2-OG1 2.66Å; N319-T321 PolarHBondContact O-N 2.8Å; N319-T321 PolarHBondContact OD1-N 3.14Å; N319-T321 VanDerWaalsContact OD1-N 3.16Å; N319-T321 PolarHBondContact OD1-OG1 2.78Å
322	H	76.9	Confident	68.2	Low	96 Å²	96	95.3 Å²	95.3	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-69.9	-43	176.3	-108.2	158.2	0	0	0	111.2	V318 N319 R324 R325	V318-H322 HydrophobicContact CB-CB 4.06Å; V318-H322 HydrophobicContact CG1-CB 4.32Å; N319-H322 PolarHBondContact O-N 3.12Å; N319-H322 WeakPolarHBondContact OD1-CB 3.07Å; N319-H322 PolarHBondContact OD1-N 3.39Å; H322-R324 VanDerWaalsContact C-N 3.31Å; H322-R324 PolarHBondContact O-N 3.3Å; H322-R325 PolarHBondContact O-N 3.21Å; H322-R325 VanDerWaalsContact O-N 3.08Å
323	R	72	Confident	67.6	Low	7 Å²	7	89.3 Å²	89.3	3%	0.026	41%	0.408	C	S	.	.	H	α-helix	trans	-57.6	-44.3	177.3	-173.6	-176.2	67.7	-121.9	-6.1	111.6	N319 R325 I326 E327 A333 I336	N319-R323 PolarHBondContact O-N 3.43Å; R323-R325 PolarHBondContact O-N 3.43Å; R323-I326 PolarHBondContact O-N 3.13Å; R323-E327 IonicContact NE-OE2 3.92Å; R323-E327 PolarHBondContact O-N 3.05Å; R323-E327 VanDerWaalsContact O-N 3.11Å; R323-A333 VanDerWaalsContact CZ-O 3.24Å; R323-A333 PolarHBondContact NE-O 3.26Å; R323-A333 PolarHBondContact NH2-O 3.32Å; R323-I336 PolarHBondContact NH1-O 2.03Å; R323-I336 PolarHBondContact NH2-O 3Å
324	R	68.8	Low	66.9	Low	145 Å²	145	90.7 Å²	90.7	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-55.6	-26.1	177.8	-78.5	-170.2	-161.8	179.1	1.2	114.2	V320 H322 L334	V320-R324 PolarHBondContact O-N 3.27Å; H322-R324 VanDerWaalsContact C-N 3.31Å; H322-R324 PolarHBondContact O-N 3.3Å; R324-L334 HydrophobicContact CG-CD2 4.01Å; R324-L334 VanDerWaalsContact NE-CD2 3.31Å
325	R	67	Low	66.3	Low	197 Å²	197	85.7 Å²	85.7	74%	0.743	41%	0.41	S	S	*	.	H	α-helix	trans	-81.8	-22	177.4	-67	-177.1	-176.3	170.5	0.8	112.9	H322 R323	H322-R325 PolarHBondContact O-N 3.21Å; H322-R325 VanDerWaalsContact O-N 3.08Å; R323-R325 PolarHBondContact O-N 3.43Å
326	I	65.9	Low	65.5	Low	55 Å²	55	83.1 Å²	83.1	28%	0.282	40%	0.401	S	S	.	.	H	α-helix	trans	-88.3	-48.2	-175.4	-61.2	162.8	0	0	0	109.9	V318 R323 K328 E352	V318-I326 HydrophobicContact CG1-CD1 4.2Å; R323-I326 PolarHBondContact O-N 3.13Å; I326-K328 PolarHBondContact O-N 2.77Å; I326-E352 HydrophobicContact CD1-CG 4.34Å; I326-E352 VanDerWaalsContact CD1-OE1 3.26Å; I326-E352 WeakPolarHBondContact CD1-OE1 3.4Å; I326-E352 HydrophobicContact CG2-CG 4.07Å
327	E	63.2	Low	65	Low	56 Å²	56	79 Å²	79	26%	0.262	39%	0.391	S	S	.	.			trans	-83.5	106.1	176.1	-81.8	172.3	160.3	0	0	110.2	R323 D329 A333 Y350	R323-E327 IonicContact NE-OE2 3.92Å; R323-E327 PolarHBondContact O-N 3.05Å; R323-E327 VanDerWaalsContact O-N 3.11Å; E327-D329 VanDerWaalsContact C-N 3.25Å; E327-D329 PolarHBondContact O-N 2.86Å; E327-A333 WeakPolarHBondContact OE2-CB 3.43Å; E327-Y350 PolarHBondContact OE1-OH 3.13Å; E327-Y350 VanDerWaalsContact OE1-OH 3.13Å
328	K	54.5	Low	64.7	Low	208 Å²	208	75.6 Å²	75.6	90%	0.904	38%	0.379	S	S	*	.			trans	-76.9	-7.1	177.4	-76	-176.1	177.3	178.6	0	113.9	I326	I326-K328 PolarHBondContact O-N 2.77Å
329	D	48.9	Very low	64.4	Low	153 Å²	153	76.5 Å²	76.5	82%	0.818	38%	0.382	S	S	*	.	S	Bend	trans	-115	105.6	-166.2	-135.7	-0.4	0	0	0	112.8	E327	E327-D329 VanDerWaalsContact C-N 3.25Å; E327-D329 PolarHBondContact O-N 2.86Å
330	G	44.3	Very low	64.1	Low	55 Å²	55	78 Å²	78	57%	0.567	39%	0.392	S	S	*	.			trans	72.8	141.2	151.8	0	0	0	0	0	119.7	R332 A333	G330-R332 PolarHBondContact O-N 3.21Å; G330-A333 PolarHBondContact O-N 3.19Å
331	D	46.2	Very low	63.9	Low	138 Å²	138	81.8 Å²	81.8	74%	0.738	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-46.9	-9	-176.6	-78.1	-42.8	0	0	0	118.3	L334	D331-L334 HydrophobicContact CB-CD1 4.03Å; D331-L334 WeakPolarHBondContact O-CB 3.35Å; D331-L334 WeakPolarHBondContact O-CD1 3.46Å; D331-L334 WeakPolarHBondContact O-CG 3.08Å; D331-L334 WeakPolarHBondContact OD1-CD1 3.36Å
332	R	47.3	Very low	63.8	Low	170 Å²	170	86.2 Å²	86.2	64%	0.642	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-80	-23.7	-177.7	-71.8	-176.9	172.1	133.6	-1.4	114	G330 L334	G330-R332 PolarHBondContact O-N 3.21Å; R332-L334 PolarHBondContact O-N 3.07Å
333	A	47.6	Very low	63.6	Low	19 Å²	19	84.4 Å²	84.4	16%	0.157	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-73	0.5	174.6	0	0	0	0	0	113.4	R323 E327 G330	R323-A333 VanDerWaalsContact CZ-O 3.24Å; R323-A333 PolarHBondContact NE-O 3.26Å; R323-A333 PolarHBondContact NH2-O 3.32Å; E327-A333 WeakPolarHBondContact OE2-CB 3.43Å; G330-A333 PolarHBondContact O-N 3.19Å
334	L	50.1	Low	63.8	Low	64 Å²	64	87.8 Å²	87.8	34%	0.335	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-83.2	-14.6	-162.8	-73.4	173.9	0	0	0	116.7	R324 D331 R332	R324-L334 HydrophobicContact CG-CD2 4.01Å; R324-L334 VanDerWaalsContact NE-CD2 3.31Å; D331-L334 HydrophobicContact CB-CD1 4.03Å; D331-L334 WeakPolarHBondContact O-CB 3.35Å; D331-L334 WeakPolarHBondContact O-CD1 3.46Å; D331-L334 WeakPolarHBondContact O-CG 3.08Å; D331-L334 WeakPolarHBondContact OD1-CD1 3.36Å; R332-L334 PolarHBondContact O-N 3.07Å
335	A	57.7	Low	64.4	Low	56 Å²	56	83.7 Å²	83.7	46%	0.463	43%	0.431	S	S	.	.			trans	-114.9	-0.6	-163.2	0	0	0	0	0	117.3	S337 Y434	A335-S337 PolarHBondContact O-N 3.02Å; A335-Y434 HydrophobicContact CB-CD1 3.58Å; A335-Y434 HydrophobicContact CB-CE1 3.21Å
336	I	64.8	Low	65.3	Low	17 Å²	17	74.3 Å²	74.3	9%	0.087	40%	0.396	C	S	.	.			trans	-86.1	109.8	177	-58.6	151.2	0	0	0	109.4	R323 H394 Y434 W436	R323-I336 PolarHBondContact NH1-O 2.03Å; R323-I336 PolarHBondContact NH2-O 3Å; I336-H394 WeakPolarHBondContact CD1-CE1 3.19Å; I336-Y434 HydrophobicContact CG1-CD1 4.4Å; I336-W436 HydrophobicContact CG2-CZ2 4.37Å
337	S	73.9	Confident	66.4	Low	35 Å²	35	73.5 Å²	73.5	25%	0.245	39%	0.391	C	S	.	.			trans	-97.7	163.7	169	42.7	0	0	0	0	111.2	A335 W436	A335-S337 PolarHBondContact O-N 3.02Å; S337-W436 PolarHBondContact O-NE1 3.22Å
338	D	81.3	Confident	67.6	Low	6 Å²	6	71.4 Å²	71.4	3%	0.032	38%	0.381	C	S	.	.			trans	-49.3	141.4	170.9	165.4	40.8	0	0	0	111.3	T340 M341 R342 G346 F348	D338-T340 PolarHBondContact OD1-N 3.42Å; D338-T340 VanDerWaalsContact OD1-N 3.11Å; D338-T340 WeakPolarHBondContact OD2-CB 3.38Å; D338-T340 PolarHBondContact OD2-N 2.73Å; D338-M341 PolarHBondContact OD2-N 2.85Å; D338-R342 WeakPolarHBondContact O-CA 3.36Å; D338-R342 PolarHBondContact O-N 2.64Å; D338-G346 VanDerWaalsContact CB-C 3.49Å; D338-F348 HydrophobicContact CB-CD1 4.09Å
339	H	80.4	Confident	69.2	Low	22 Å²	22	62.7 Å²	62.7	10%	0.102	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.4	177	-179.8	-98.7	0	0	0	112.1	S254 R342 F392 W436	S254-H339 PolarHBondContact OG-CE1 3.08Å; H339-R342 VanDerWaalsContact O-CG 3.3Å; H339-R342 WeakPolarHBondContact O-CG 3.41Å; H339-F392 AromaticContact CD2-CD1 3.91Å; H339-F392 AromaticContact CE1-CD1 3.78Å; H339-F392 AromaticContact CE1-CD2 3.74Å; H339-F392 AromaticContact CE1-CE1 3.66Å; H339-F392 AromaticContact CE1-CE2 3.65Å; H339-F392 AromaticContact CE1-CG 3.82Å; H339-F392 AromaticContact CE1-CZ 3.62Å; H339-F392 AromaticContact ND1-CD2 3.76Å; H339-F392 AromaticContact ND1-CG 3.88Å; H339-F392 AromaticContact NE2-CD1 3.57Å; H339-F392 AromaticContact NE2-CE1 3.55Å; H339-F392 AromaticContact NE2-CG 3.98Å; H339-F392 AromaticContact NE2-CZ 3.99Å; H339-W436 HydrophobicContact CB-CD2 3.85Å; H339-W436 HydrophobicContact CB-CE3 4.41Å; H339-W436 HydrophobicContact CB-CG 3.93Å; H339-W436 HydrophobicContact CB-CZ2 4.49Å; H339-W436 AromaticContact CD2-CD1 3.96Å; H339-W436 AromaticContact CD2-CG 3.8Å
340	T	78.3	Confident	70.8	Confident	56 Å²	56	57.1 Å²	57.1	34%	0.344	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-51.2	-168.7	-40.8	0	0	0	0	111.8	N297 D338	N297-T340 HydrophobicContact CB-CG2 4.1Å; D338-T340 PolarHBondContact OD1-N 3.42Å; D338-T340 VanDerWaalsContact OD1-N 3.11Å; D338-T340 WeakPolarHBondContact OD2-CB 3.38Å; D338-T340 PolarHBondContact OD2-N 2.73Å
341	M	76.6	Confident	72.4	Confident	90 Å²	90	57.4 Å²	57.4	44%	0.443	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-20.9	-178.8	-60.6	-149.2	80.8	0	0	114	E299 D338 N343	E299-M341 HydrophobicContact CG-CG 4.36Å; E299-M341 HydrophobicContact CG-SD 4.26Å; D338-M341 PolarHBondContact OD2-N 2.85Å; M341-N343 WeakPolarHBondContact CB-OD1 3.48Å; M341-N343 PolarHBondContact O-N 3.02Å
342	R	73.7	Confident	73.5	Confident	166 Å²	166	53.2 Å²	53.2	63%	0.626	28%	0.275	S	S	*	.			trans	49.7	27.7	-176.3	-59	-171.7	174.9	-154.7	-0.3	114.7	D338 H339	D338-R342 WeakPolarHBondContact O-CA 3.36Å; D338-R342 PolarHBondContact O-N 2.64Å; H339-R342 VanDerWaalsContact O-CG 3.3Å; H339-R342 WeakPolarHBondContact O-CG 3.41Å
343	N	74.4	Confident	74.2	Confident	58 Å²	58	49.1 Å²	49.1	31%	0.31	27%	0.271	S	S	.	.	S	Bend	trans	-130.7	176.3	179.6	67.7	23.1	0	0	0	110.3	M341 S345 G346	M341-N343 WeakPolarHBondContact CB-OD1 3.48Å; M341-N343 PolarHBondContact O-N 3.02Å; N343-S345 VanDerWaalsContact C-N 3.27Å; N343-S345 PolarHBondContact ND2-OG 3.46Å; N343-S345 PolarHBondContact O-N 2.88Å; N343-S345 PolarHBondContact OD1-N 2.74Å; N343-S345 VanDerWaalsContact OD1-N 3.16Å; N343-S345 PolarHBondContact OD1-OG 3.29Å; N343-G346 PolarHBondContact OD1-N 2.97Å
344	S	75.4	Confident	74.9	Confident	77 Å²	77	49.8 Å²	49.8	54%	0.538	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.3	-177	51.5	0	0	0	0	113.9
345	S	82.2	Confident	75.2	Confident	60 Å²	60	55.3 Å²	55.3	42%	0.42	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-23.1	178.5	41.1	0	0	0	0	114.3	N343 H347	N343-S345 VanDerWaalsContact C-N 3.27Å; N343-S345 PolarHBondContact ND2-OG 3.46Å; N343-S345 PolarHBondContact O-N 2.88Å; N343-S345 PolarHBondContact OD1-N 2.74Å; N343-S345 VanDerWaalsContact OD1-N 3.16Å; N343-S345 PolarHBondContact OD1-OG 3.29Å; S345-H347 PolarHBondContact O-CE1 2.73Å; S345-H347 PolarHBondContact O-ND1 3.38Å; S345-H347 VanDerWaalsContact O-ND1 3.1Å
346	G	85.2	Confident	75.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.			trans	-66	152.4	-180	0	0	0	0	0	113.1	E299 N319 D338 N343	E299-G346 VanDerWaalsContact OE1-CA 3.29Å; E299-G346 WeakPolarHBondContact OE1-CA 3.36Å; N319-G346 WeakPolarHBondContact CA-O 2.76Å; N319-G346 VanDerWaalsContact CB-O 3.24Å; N319-G346 WeakPolarHBondContact CB-O 3.4Å; D338-G346 VanDerWaalsContact CB-C 3.49Å; N343-G346 PolarHBondContact OD1-N 2.97Å
347	H	89.4	Confident	74.6	Confident	37 Å²	37	63.4 Å²	63.4	17%	0.171	34%	0.341	C	S	.	.			trans	-118.5	138.5	-171.6	-64.1	88.5	0	0	0	112	F298 E299 R317 V318 S345	F298-H347 HydrophobicContact CB-CB 4.37Å; E299-H347 PolarHBondContact OE1-N 3.25Å; E299-H347 IonicContact OE1-ND1 3.86Å; E299-H347 IonicContact OE2-CE1 3.85Å; E299-H347 IonicContact OE2-CG 3.12Å; E299-H347 IonicContact OE2-ND1 3.07Å; E299-H347 PolarHBondContact OE2-ND1 2.99Å; R317-H347 HydrophobicContact CG-CB 4.16Å; R317-H347 PolarHBondContact NH1-CD2 3.3Å; R317-H347 PolarHBondContact NH1-NE2 2.82Å; R317-H347 PolarHBondContact NH2-CD2 2.74Å; R317-H347 VanDerWaalsContact NH2-CD2 3.28Å; R317-H347 PolarHBondContact NH2-CE1 2.9Å; R317-H347 VanDerWaalsContact NH2-CE1 3.32Å; R317-H347 PolarHBondContact NH2-ND1 3.28Å; R317-H347 PolarHBondContact NH2-NE2 2.8Å; V318-H347 WeakPolarHBondContact O-CA 3.2Å; S345-H347 PolarHBondContact O-CE1 2.73Å; S345-H347 PolarHBondContact O-ND1 3.38Å; S345-H347 VanDerWaalsContact O-ND1 3.1Å
348	F	88.2	Confident	73.5	Confident	12 Å²	12	69.4 Å²	69.4	5%	0.053	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.4	174.9	57	-85.7	0	0	0	110.4	R317 V318 D338 W436	R317-F348 WeakPolarHBondContact CA-O 3.37Å; V318-F348 HydrophobicContact CG2-CD2 3.99Å; V318-F348 HydrophobicContact CG2-CE1 4.38Å; V318-F348 HydrophobicContact CG2-CE2 3.52Å; V318-F348 HydrophobicContact CG2-CZ 3.74Å; V318-F348 PolarHBondContact N-O 2.89Å; V318-F348 PolarHBondContact O-N 2.87Å; D338-F348 HydrophobicContact CB-CD1 4.09Å; F348-W436 HydrophobicContact CB-CH2 3.85Å; F348-W436 HydrophobicContact CB-CZ2 4.32Å; F348-W436 HydrophobicContact CD2-CH2 4.22Å; F348-W436 HydrophobicContact CG-CH2 4.07Å; F348-W436 HydrophobicContact CG-CZ2 4.28Å
349	M	88	Confident	72.1	Confident	25 Å²	25	77 Å²	77	12%	0.123	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.1	175	-64.9	-58.1	-56.7	0	0	109.9	F298 T302 W315 R316 R317 F364	F298-M349 HydrophobicContact CD1-CG 3.79Å; F298-M349 HydrophobicContact CD1-SD 4.14Å; F298-M349 HydrophobicContact CD2-CG 4.33Å; F298-M349 HydrophobicContact CE1-CG 3.59Å; F298-M349 HydrophobicContact CE1-SD 4.35Å; F298-M349 HydrophobicContact CE2-CG 4.15Å; F298-M349 HydrophobicContact CG-CG 4.16Å; F298-M349 HydrophobicContact CZ-CG 3.78Å; T302-M349 HydrophobicContact CG2-SD 4.32Å; W315-M349 HydrophobicContact CB-CE 3.7Å; W315-M349 HydrophobicContact CE3-CB 3.68Å; W315-M349 HydrophobicContact CZ3-CB 3.94Å; R316-M349 WeakPolarHBondContact O-CA 3.42Å; R317-M349 HydrophobicContact CB-SD 3.7Å; R317-M349 HydrophobicContact CG-SD 4.32Å; M349-F364 HydrophobicContact CE-CD2 4.38Å; M349-F364 HydrophobicContact CE-CE2 3.7Å; M349-F364 HydrophobicContact CE-CZ 3.88Å; M349-F364 HydrophobicContact CG-CE1 3.99Å; M349-F364 HydrophobicContact CG-CZ 3.81Å; M349-F364 HydrophobicContact SD-CE2 4.45Å; M349-F364 HydrophobicContact SD-CZ 4.06Å
350	Y	82.1	Confident	71.1	Confident	36 Å²	36	79.4 Å²	79.4	14%	0.141	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.1	-177.4	176.7	-105.6	0	0	0	110.3	R316 V318 E327 E352 P353	R316-Y350 PolarHBondContact N-O 3Å; R316-Y350 PolarHBondContact O-N 3.09Å; V318-Y350 VanDerWaalsContact CG2-CB 3.41Å; V318-Y350 HydrophobicContact CG2-CG 4.16Å; E327-Y350 PolarHBondContact OE1-OH 3.13Å; E327-Y350 VanDerWaalsContact OE1-OH 3.13Å; Y350-E352 HydrophobicContact CD1-CG 4.05Å; Y350-E352 HydrophobicContact CE1-CB 4.39Å; Y350-E352 HydrophobicContact CE1-CG 3.97Å; Y350-P353 WeakPolarHBondContact OH-CD 3.49Å
351	I	78.1	Confident	70.7	Confident	62 Å²	62	85.2 Å²	85.2	32%	0.318	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.1	169.4	-63.5	168.2	0	0	0	106.9	F313 W315 A362	F313-I351 HydrophobicContact CB-CG2 4.07Å; F313-I351 HydrophobicContact CD1-CG2 3.71Å; F313-I351 HydrophobicContact CG-CG2 4.34Å; W315-I351 HydrophobicContact CD2-CD1 4.17Å; W315-I351 HydrophobicContact CD2-CG1 3.51Å; W315-I351 VanDerWaalsContact CE2-CG1 3.45Å; W315-I351 HydrophobicContact CE3-CD1 4.45Å; W315-I351 HydrophobicContact CE3-CG1 3.66Å; W315-I351 HydrophobicContact CG-CG1 4.17Å; W315-I351 HydrophobicContact CH2-CD1 3.74Å; W315-I351 HydrophobicContact CH2-CG1 3.82Å; W315-I351 HydrophobicContact CZ2-CD1 3.35Å; W315-I351 HydrophobicContact CZ2-CG1 3.65Å; W315-I351 HydrophobicContact CZ3-CD1 4.26Å; W315-I351 HydrophobicContact CZ3-CG1 3.82Å; I351-A362 HydrophobicContact CD1-CB 4.11Å; I351-A362 HydrophobicContact CG1-CB 4.39Å
352	E	69.8	Low	70.7	Confident	50 Å²	50	82.3 Å²	82.3	23%	0.234	42%	0.419	C	S	.	.			trans	-70.8	129.8	171.4	-66.6	-179.3	166.5	0	0	109.6	F313 R316 I326 Y350 G354	F313-E352 VanDerWaalsContact CD1-O 3.3Å; F313-E352 WeakPolarHBondContact CD1-O 3.3Å; R316-E352 VanDerWaalsContact CD-CD 3.44Å; R316-E352 WeakPolarHBondContact CD-OE1 3.38Å; R316-E352 IonicContact CZ-OE1 2.74Å; R316-E352 IonicContact NE-OE1 2.78Å; R316-E352 IonicContact NH1-OE1 3.67Å; R316-E352 PolarHBondContact NH1-OE1 3.21Å; R316-E352 IonicContact NH1-OE2 3.7Å; I326-E352 HydrophobicContact CD1-CG 4.34Å; I326-E352 VanDerWaalsContact CD1-OE1 3.26Å; I326-E352 WeakPolarHBondContact CD1-OE1 3.4Å; I326-E352 HydrophobicContact CG2-CG 4.07Å; Y350-E352 HydrophobicContact CD1-CG 4.05Å; Y350-E352 HydrophobicContact CE1-CB 4.39Å; Y350-E352 HydrophobicContact CE1-CG 3.97Å; E352-G354 PolarHBondContact O-N 2.83Å; E352-G354 VanDerWaalsContact O-N 3.08Å
353	P	62.3	Low	71	Confident	83 Å²	83	79 Å²	79	54%	0.539	41%	0.41	S	S	.	.			trans	-63.6	112.7	173.4	23.3	-29.5	0	0	0	108.9	Y350	Y350-P353 WeakPolarHBondContact OH-CD 3.49Å
354	G	60.5	Low	71.5	Confident	33 Å²	33	78.6 Å²	78.6	34%	0.34	41%	0.405	S	S	.	.			trans	-72.2	154.1	173.6	0	0	0	0	0	111.5	E352 S356	E352-G354 PolarHBondContact O-N 2.83Å; E352-G354 VanDerWaalsContact O-N 3.08Å; G354-S356 PolarHBondContact O-N 3.24Å
355	N	57.6	Low	72.1	Confident	181 Å²	181	77.9 Å²	77.9	97%	0.968	40%	0.398	S	S	*	.	S	Bend	trans	-73	11.7	179.5	-76.4	-8.7	0	0	0	114.4
356	S	55	Low	72.3	Confident	37 Å²	37	77 Å²	77	26%	0.259	39%	0.391	S	S	.	.			trans	-100.2	130.1	-173.3	156.2	0	0	0	0	111.3	E312 G354 K358 L360	E312-S356 WeakPolarHBondContact OE2-CB 3.15Å; G354-S356 PolarHBondContact O-N 3.24Å; S356-K358 PolarHBondContact O-N 3.48Å; S356-K358 PolarHBondContact OG-N 3.39Å; S356-K358 VanDerWaalsContact OG-N 3.1Å; S356-L360 VanDerWaalsContact OG-CD1 3.27Å; S356-L360 WeakPolarHBondContact OG-CD1 3.02Å
357	E	55.1	Low	72.3	Confident	205 Å²	205	78.6 Å²	78.6	96%	0.958	40%	0.402	S	S	*	.			trans	-73.8	-2.5	173.1	-64.5	-170.9	167.4	0	0	114
358	K	50.7	Low	71.8	Confident	161 Å²	161	85.6 Å²	85.6	70%	0.7	43%	0.427	S	S	*	.	S	Bend	trans	-81.8	137.9	-179.9	-71.1	-179.1	178.5	174.8	0	111.7	S356 L360	S356-K358 PolarHBondContact O-N 3.48Å; S356-K358 PolarHBondContact OG-N 3.39Å; S356-K358 VanDerWaalsContact OG-N 3.1Å; K358-L360 HydrophobicContact CB-CD1 4.16Å; K358-L360 HydrophobicContact CB-CG 4.08Å; K358-L360 WeakPolarHBondContact O-CG 3.37Å; K358-L360 PolarHBondContact O-N 2.03Å
359	M	51	Low	71.3	Confident	167 Å²	167	88.7 Å²	88.7	82%	0.823	44%	0.44	S	S	*	.			trans	-57.4	99.7	165.8	-90.8	-159.9	150.5	0	0	110.4
360	L	59.5	Low	70.3	Confident	72 Å²	72	91.9 Å²	91.9	38%	0.377	46%	0.463	S	S	.	.			trans	-119.3	153.5	-177.3	-69.5	159.2	0	0	0	110.3	E312 F313 S356 K358	E312-L360 HydrophobicContact CB-CD1 4.35Å; E312-L360 VanDerWaalsContact OE2-CD1 3.28Å; E312-L360 WeakPolarHBondContact OE2-CD1 3.08Å; F313-L360 HydrophobicContact CD2-CB 3.5Å; F313-L360 VanDerWaalsContact CD2-CB 3.5Å; F313-L360 HydrophobicContact CD2-CD1 4.06Å; F313-L360 HydrophobicContact CD2-CG 4.42Å; F313-L360 HydrophobicContact CE2-CB 3.5Å; F313-L360 HydrophobicContact CE2-CD1 3.64Å; F313-L360 HydrophobicContact CE2-CG 4.18Å; S356-L360 VanDerWaalsContact OG-CD1 3.27Å; S356-L360 WeakPolarHBondContact OG-CD1 3.02Å; K358-L360 HydrophobicContact CB-CD1 4.16Å; K358-L360 HydrophobicContact CB-CG 4.08Å; K358-L360 WeakPolarHBondContact O-CG 3.37Å; K358-L360 PolarHBondContact O-N 2.03Å
361	R	70.7	Confident	69.6	Low	178 Å²	178	92 Å²	92	67%	0.672	47%	0.468	S	S	*	.			trans	-113.6	135	-176.3	-64.4	177.5	-176.9	139.5	1.7	109.5	S311 F363	S311-R361 WeakPolarHBondContact CB-O 3.44Å; S311-R361 PolarHBondContact OG-O 3.47Å; R361-F363 HydrophobicContact CB-CE2 4.23Å; R361-F363 HydrophobicContact CB-CZ 4.12Å
362	A	75.2	Confident	69	Low	28 Å²	28	90.3 Å²	90.3	23%	0.231	46%	0.459	C	S	.	.			trans	-104.8	139	168.8	0	0	0	0	0	109.9	F313 I351	F313-A362 HydrophobicContact CB-CB 3.81Å; I351-A362 HydrophobicContact CD1-CB 4.11Å; I351-A362 HydrophobicContact CG1-CB 4.39Å
363	F	80.5	Confident	68.4	Low	97 Å²	97	90 Å²	90	43%	0.425	46%	0.462	S	S	.	.			trans	-114	138.1	177.3	-55.8	-85.7	0	0	0	111.2	S307 T308 R361	S307-F363 WeakPolarHBondContact CA-O 3.49Å; S307-F363 PolarHBondContact OG-O 3.46Å; T308-F363 WeakPolarHBondContact OG1-CB 3.07Å; R361-F363 HydrophobicContact CB-CE2 4.23Å; R361-F363 HydrophobicContact CB-CZ 4.12Å
364	F	86.2	Confident	68.2	Low	50 Å²	50	89.4 Å²	89.4	22%	0.219	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115	171	-165.5	-127.9	0	0	0	108.3	F298 W305 W315 M349	F298-F364 AromaticContact CE1-CE1 3.95Å; F298-F364 HydrophobicContact CE1-CE1 3.95Å; F298-F364 HydrophobicContact CE1-CZ 4.03Å; F298-F364 HydrophobicContact CZ-CE1 4.15Å; W305-F364 HydrophobicContact CB-CD1 4.39Å; W305-F364 HydrophobicContact CB-CE1 3.62Å; W305-F364 HydrophobicContact CB-CE2 3.75Å; W305-F364 HydrophobicContact CB-CZ 3.26Å; W305-F364 HydrophobicContact CD2-CD1 4.29Å; W305-F364 AromaticContact CD2-CE1 3.94Å; W305-F364 HydrophobicContact CD2-CE1 3.94Å; W305-F364 AromaticContact CE3-CD1 3.57Å; W305-F364 HydrophobicContact CE3-CD1 3.57Å; W305-F364 AromaticContact CE3-CE1 3.71Å; W305-F364 HydrophobicContact CE3-CE1 3.71Å; W305-F364 HydrophobicContact CE3-CG 4.26Å; W305-F364 HydrophobicContact CE3-CZ 4.49Å; W305-F364 AromaticContact CG-CE1 3.96Å; W305-F364 HydrophobicContact CG-CE1 3.96Å; W305-F364 HydrophobicContact CG-CZ 4.08Å; W305-F364 HydrophobicContact CZ3-CD1 4.23Å; W315-F364 HydrophobicContact CB-CD2 4.12Å; W315-F364 HydrophobicContact CD2-CB 4.28Å; W315-F364 HydrophobicContact CG-CB 4.11Å; W315-F364 HydrophobicContact CG-CD2 4.23Å; W315-F364 HydrophobicContact CG-CG 4.35Å; M349-F364 HydrophobicContact CE-CD2 4.38Å; M349-F364 HydrophobicContact CE-CE2 3.7Å; M349-F364 HydrophobicContact CE-CZ 3.88Å; M349-F364 HydrophobicContact CG-CE1 3.99Å; M349-F364 HydrophobicContact CG-CZ 3.81Å; M349-F364 HydrophobicContact SD-CE2 4.45Å; M349-F364 HydrophobicContact SD-CZ 4.06Å
365	T	86.9	Confident	68.1	Low	62 Å²	62	88.4 Å²	88.4	38%	0.38	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.5	-165.2	-36.9	0	0	0	0	109.8	W305 T306	W305-T365 CarbonylContact C-O 3.52Å; W305-T365 VanDerWaalsContact CA-O 3.29Å; W305-T365 WeakPolarHBondContact CA-O 3.24Å; T306-T365 PolarHBondContact N-O 3.09Å; T306-T365 PolarHBondContact O-N 3.05Å
366	S	87.1	Confident	68.5	Low	41 Å²	41	80.4 Å²	80.4	29%	0.287	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-73.4	164.5	178.1	71.8	0	0	0	0	112	W305 F369	W305-S366 VanDerWaalsContact CE3-CA 3.49Å; W305-S366 VanDerWaalsContact CH2-CB 3.49Å; W305-S366 VanDerWaalsContact CZ2-CB 3.5Å; S366-F369 VanDerWaalsContact CB-CE2 3.48Å; S366-F369 WeakPolarHBondContact OG-CE2 3.5Å
367	P	83.9	Confident	69	Low	34 Å²	34	81.7 Å²	81.7	22%	0.221	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-54.1	161.1	157.4	-21.4	33	0	0	0	111.4	C303 F369	C303-P367 WeakPolarHBondContact O-CG 3.01Å; P367-F369 HydrophobicContact CB-CE1 4.44Å; P367-F369 PolarHBondContact O-N 2.8Å
368	R	79.2	Confident	69.3	Low	184 Å²	184	74.1 Å²	74.1	69%	0.694	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-70.5	121.3	174.8	-69.6	-175	175.8	179.3	-0.5	109.8	P410	R368-P410 PolarHBondContact NH2-O 3.13Å
369	F	77	Confident	70.2	Confident	76 Å²	76	71.3 Å²	71.3	33%	0.333	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-99	149.3	174.2	-59.9	-49.7	0	0	0	111	P291 S366 P367	P291-F369 HydrophobicContact CB-CD1 3.75Å; P291-F369 HydrophobicContact CB-CE1 4.29Å; P291-F369 HydrophobicContact CG-CB 4.28Å; P291-F369 HydrophobicContact CG-CD1 3.37Å; P291-F369 HydrophobicContact CG-CE1 3.89Å; P291-F369 HydrophobicContact CG-CG 3.99Å; S366-F369 VanDerWaalsContact CB-CE2 3.48Å; S366-F369 WeakPolarHBondContact OG-CE2 3.5Å; P367-F369 HydrophobicContact CB-CE1 4.44Å; P367-F369 PolarHBondContact O-N 2.8Å
370	P	68.4	Low	70.7	Confident	92 Å²	92	67.6 Å²	67.6	60%	0.597	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-62.1	147.7	173	26	-32.7	0	0	0	110.5
371	P	67.1	Low	70.4	Confident	39 Å²	39	64.7 Å²	64.7	25%	0.253	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-69.1	158.4	178.7	27.7	-33.6	0	0	0	112.9	Q446 N448 Y679	P371-Q446 HydrophobicContact CB-CB 4.3Å; P371-N448 HydrophobicContact CB-CB 4.32Å; P371-N448 VanDerWaalsContact CB-CG 3.48Å; P371-N448 WeakPolarHBondContact CB-ND2 3.04Å; P371-N448 HydrophobicContact CG-CB 4.19Å; P371-Y679 HydrophobicContact CG-CD1 4.28Å; P371-Y679 HydrophobicContact CG-CE1 3.45Å; P371-Y679 VanDerWaalsContact CG-CE1 3.45Å; P371-Y679 HydrophobicContact CG-CE2 4.45Å; P371-Y679 WeakPolarHBondContact CG-OH 3.48Å
372	M	66.1	Low	69.8	Low	26 Å²	26	59.9 Å²	59.9	13%	0.128	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-92.5	147.3	178.3	-54.3	-138.6	-52	0	0	113	V376 C387 I443 Q446	M372-V376 HydrophobicContact CE-CB 3.9Å; M372-V376 HydrophobicContact CE-CG1 3.63Å; M372-V376 HydrophobicContact CE-CG2 3.97Å; M372-V376 HydrophobicContact SD-CG2 4.48Å; M372-C387 HydrophobicContact CE-CB 3.73Å; M372-C387 HydrophobicContact SD-CB 3.24Å; M372-C387 WeakPolarHBondContact SD-CB 3.19Å; M372-C387 PolarHBondContact SD-SG 3.38Å; M372-I443 HydrophobicContact CE-CB 3.58Å; M372-I443 HydrophobicContact CE-CG2 3.71Å; M372-I443 WeakPolarHBondContact CE-O 3.29Å; M372-I443 HydrophobicContact CG-CG2 4.2Å; M372-I443 HydrophobicContact SD-CB 3.98Å; M372-I443 HydrophobicContact SD-CG2 3.97Å; M372-Q446 VanDerWaalsContact CG-OE1 3.32Å
373	S	57.6	Low	69.1	Low	43 Å²	43	62.9 Å²	62.9	30%	0.301	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.6	148	173.4	176.6	0	0	0	0	111.4	S375 V376	S373-S375 PolarHBondContact O-N 2.97Å; S373-S375 WeakPolarHBondContact OG-CB 3.01Å; S373-S375 PolarHBondContact OG-N 3.14Å; S373-S375 VanDerWaalsContact OG-N 3.11Å; S373-S375 PolarHBondContact OG-OG 2.88Å; S373-V376 PolarHBondContact O-N 3.11Å; S373-V376 VanDerWaalsContact O-N 3.09Å
374	K	57.8	Low	68.3	Low	72 Å²	72	61.5 Å²	61.5	31%	0.313	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-56.7	-20.2	168.5	-168.2	170.3	179.4	-178.9	0	113	V376 D377 D378 Y445 R696 T697	K374-V376 PolarHBondContact O-N 3.06Å; K374-V376 VanDerWaalsContact O-N 3.14Å; K374-D377 PolarHBondContact O-N 2.9Å; K374-D378 PolarHBondContact O-N 3.42Å; K374-Y445 HydrophobicContact CB-CD2 3.97Å; K374-Y445 HydrophobicContact CB-CE2 4.41Å; K374-Y445 HydrophobicContact CB-CG 4.46Å; K374-Y445 HydrophobicContact CD-CE2 4.19Å; K374-Y445 HydrophobicContact CG-CD2 4.01Å; K374-Y445 HydrophobicContact CG-CE2 4.07Å; K374-Y445 HydrophobicContact CG-CG 4.41Å; K374-R696 WeakPolarHBondContact CB-O 3.43Å; K374-R696 HydrophobicContact CD-CB 3.99Å; K374-R696 WeakPolarHBondContact CD-O 3.37Å; K374-T697 HydrophobicContact CD-CG2 3.66Å; K374-T697 HydrophobicContact CG-CG2 4.22Å
375	S	57	Low	67.6	Low	12 Å²	12	62.7 Å²	62.7	8%	0.084	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-54.3	-27	172.6	-53.7	0	0	0	0	113.7	S373 D377 D378 S381	S373-S375 PolarHBondContact O-N 2.97Å; S373-S375 WeakPolarHBondContact OG-CB 3.01Å; S373-S375 PolarHBondContact OG-N 3.14Å; S373-S375 VanDerWaalsContact OG-N 3.11Å; S373-S375 PolarHBondContact OG-OG 2.88Å; S375-D377 VanDerWaalsContact C-N 3.3Å; S375-D377 PolarHBondContact O-N 2.86Å; S375-D378 PolarHBondContact O-N 3.09Å; S375-S381 WeakPolarHBondContact O-CB 3.44Å; S375-S381 PolarHBondContact O-OG 2.97Å
376	V	67.7	Low	66.8	Low	13 Å²	13	65.3 Å²	65.3	8%	0.079	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-75.3	-21	180	-172	0	0	0	0	112.5	M372 S373 K374 F383 F384 Q385 C387	M372-V376 HydrophobicContact CE-CB 3.9Å; M372-V376 HydrophobicContact CE-CG1 3.63Å; M372-V376 HydrophobicContact CE-CG2 3.97Å; M372-V376 HydrophobicContact SD-CG2 4.48Å; S373-V376 PolarHBondContact O-N 3.11Å; S373-V376 VanDerWaalsContact O-N 3.09Å; K374-V376 PolarHBondContact O-N 3.06Å; K374-V376 VanDerWaalsContact O-N 3.14Å; V376-F383 WeakPolarHBondContact CA-O 3.44Å; V376-F384 WeakPolarHBondContact O-CA 3.01Å; V376-F384 WeakPolarHBondContact O-CD2 3.44Å; V376-Q385 PolarHBondContact O-N 3.27Å; V376-C387 HydrophobicContact CG1-CB 4.38Å
377	D	65.2	Low	66.3	Low	64 Å²	64	65.8 Å²	65.8	34%	0.342	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-98.8	-3.4	177.7	-86.7	47.6	0	0	0	112.7	K374 S375 P379 Y445	K374-D377 PolarHBondContact O-N 2.9Å; S375-D377 VanDerWaalsContact C-N 3.3Å; S375-D377 PolarHBondContact O-N 2.86Å; D377-P379 WeakPolarHBondContact O-CD 3.44Å; D377-Y445 HydrophobicContact CB-CD1 3.81Å; D377-Y445 HydrophobicContact CB-CE1 4.4Å; D377-Y445 HydrophobicContact CB-CG 4.4Å; D377-Y445 PolarHBondContact OD1-N 2.98Å; D377-Y445 WeakPolarHBondContact OD2-CD1 3.44Å
378	D	60.6	Low	66	Low	46 Å²	46	68.6 Å²	68.6	25%	0.246	36%	0.358	C	S	.	.			trans	-92.9	113.9	-179.2	-179.2	-4.6	0	0	0	110.7	K374 S375 S380 S381 F384	K374-D378 PolarHBondContact O-N 3.42Å; S375-D378 PolarHBondContact O-N 3.09Å; D378-S380 PolarHBondContact O-N 3.48Å; D378-S380 WeakPolarHBondContact OD1-CB 3.31Å; D378-S380 PolarHBondContact OD1-N 3.41Å; D378-S380 PolarHBondContact OD1-OG 3.43Å; D378-S380 PolarHBondContact OD2-OG 2.92Å; D378-S381 WeakPolarHBondContact O-CB 3.31Å; D378-S381 PolarHBondContact O-N 3.41Å; D378-F384 WeakPolarHBondContact O-CB 3.34Å; D378-F384 VanDerWaalsContact O-CD2 3.31Å; D378-F384 WeakPolarHBondContact O-CD2 3.35Å
379	P	70.4	Confident	66.3	Low	102 Å²	102	61.9 Å²	61.9	66%	0.662	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.7	-179.2	-22.7	32.9	0	0	0	114.3	D377 F384	D377-P379 WeakPolarHBondContact O-CD 3.44Å; P379-F384 HydrophobicContact CB-CE2 4.31Å; P379-F384 HydrophobicContact CB-CZ 4.35Å; P379-F384 HydrophobicContact CG-CE2 3.98Å; P379-F384 HydrophobicContact CG-CZ 4.19Å
380	S	60.1	Low	66.6	Low	89 Å²	89	62.5 Å²	62.5	62%	0.622	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.4	178.9	70.3	0	0	0	0	113.5	D378	D378-S380 PolarHBondContact O-N 3.48Å; D378-S380 WeakPolarHBondContact OD1-CB 3.31Å; D378-S380 PolarHBondContact OD1-N 3.41Å; D378-S380 PolarHBondContact OD1-OG 3.43Å; D378-S380 PolarHBondContact OD2-OG 2.92Å
381	S	54.8	Low	67.5	Low	11 Å²	11	60.7 Å²	60.7	8%	0.077	32%	0.321	C	S	.	.	S	Bend	trans	-81.9	141.1	179.6	-171.4	0	0	0	0	111.1	S375 D378 F383 F384	S375-S381 WeakPolarHBondContact O-CB 3.44Å; S375-S381 PolarHBondContact O-OG 2.97Å; D378-S381 WeakPolarHBondContact O-CB 3.31Å; D378-S381 PolarHBondContact O-N 3.41Å; S381-F383 PolarHBondContact O-N 3.3Å; S381-F383 VanDerWaalsContact O-N 3.07Å; S381-F383 PolarHBondContact OG-N 3.18Å; S381-F384 WeakPolarHBondContact O-CB 3.46Å; S381-F384 PolarHBondContact O-N 3.48Å; S381-F384 VanDerWaalsContact O-N 3.12Å
382	P	57.8	Low	68.3	Low	77 Å²	77	61 Å²	61	50%	0.5	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18	168.8	25.7	-34.3	0	0	0	112.6	Q386	P382-Q386 PolarHBondContact O-NE2 3.42Å; P382-Q386 PolarHBondContact O-OE1 3.05Å
383	F	59.1	Low	69.1	Low	91 Å²	91	61.8 Å²	61.8	40%	0.399	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.7	-179.9	-55.8	-71.5	0	0	0	113.9	V376 S381 Q385 Q386	V376-F383 WeakPolarHBondContact CA-O 3.44Å; S381-F383 PolarHBondContact O-N 3.3Å; S381-F383 VanDerWaalsContact O-N 3.07Å; S381-F383 PolarHBondContact OG-N 3.18Å; F383-Q385 PolarHBondContact O-N 2.96Å; F383-Q386 WeakPolarHBondContact O-CB 3.15Å; F383-Q386 PolarHBondContact O-N 2.9Å; F383-Q386 VanDerWaalsContact O-N 3.17Å
384	F	64.5	Low	69.9	Low	68 Å²	68	61.8 Å²	61.8	30%	0.298	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	123.2	-178.8	-177	-117.7	0	0	0	111.4	V376 D378 P379 S381 Q386	V376-F384 WeakPolarHBondContact O-CA 3.01Å; V376-F384 WeakPolarHBondContact O-CD2 3.44Å; D378-F384 WeakPolarHBondContact O-CB 3.34Å; D378-F384 VanDerWaalsContact O-CD2 3.31Å; D378-F384 WeakPolarHBondContact O-CD2 3.35Å; P379-F384 HydrophobicContact CB-CE2 4.31Å; P379-F384 HydrophobicContact CB-CZ 4.35Å; P379-F384 HydrophobicContact CG-CE2 3.98Å; P379-F384 HydrophobicContact CG-CZ 4.19Å; S381-F384 WeakPolarHBondContact O-CB 3.46Å; S381-F384 PolarHBondContact O-N 3.48Å; S381-F384 VanDerWaalsContact O-N 3.12Å; F384-Q386 PolarHBondContact O-N 2.85Å
385	Q	70.5	Confident	70.5	Confident	74 Å²	74	60.5 Å²	60.5	35%	0.346	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	16.3	179.7	-57.4	-177.3	-6.5	0	0	115.9	V376 F383 C387 R388 I442	V376-Q385 PolarHBondContact O-N 3.27Å; F383-Q385 PolarHBondContact O-N 2.96Å; Q385-C387 VanDerWaalsContact C-N 3.34Å; Q385-C387 PolarHBondContact O-N 3.03Å; Q385-R388 PolarHBondContact O-NE 3.37Å; Q385-I442 HydrophobicContact CB-CD1 3.98Å; Q385-I442 HydrophobicContact CB-CG1 4.28Å; Q385-I442 HydrophobicContact CB-CG2 4.32Å; Q385-I442 HydrophobicContact CG-CD1 3.88Å; Q385-I442 HydrophobicContact CG-CG2 4.33Å
386	Q	71.3	Confident	70.7	Confident	117 Å²	117	65.7 Å²	65.7	55%	0.547	33%	0.332	S	S	.	.			trans	-74.9	-23.3	-176.8	-74.5	-165	-19.4	0	0	113.3	P382 F383 F384	P382-Q386 PolarHBondContact O-NE2 3.42Å; P382-Q386 PolarHBondContact O-OE1 3.05Å; F383-Q386 WeakPolarHBondContact O-CB 3.15Å; F383-Q386 PolarHBondContact O-N 2.9Å; F383-Q386 VanDerWaalsContact O-N 3.17Å; F384-Q386 PolarHBondContact O-N 2.85Å
387	C	75.4	Confident	69.9	Low	51 Å²	51	66.7 Å²	66.7	35%	0.345	35%	0.345	S	S	.	.			trans	-96.6	116.6	179.9	-165.6	0	0	0	0	111.4	M372 V376 Q385 I443	M372-C387 HydrophobicContact CE-CB 3.73Å; M372-C387 HydrophobicContact SD-CB 3.24Å; M372-C387 WeakPolarHBondContact SD-CB 3.19Å; M372-C387 PolarHBondContact SD-SG 3.38Å; V376-C387 HydrophobicContact CG1-CB 4.38Å; Q385-C387 VanDerWaalsContact C-N 3.34Å; Q385-C387 PolarHBondContact O-N 3.03Å; C387-I443 PolarHBondContact O-N 3.07Å
388	R	79.1	Confident	69.2	Low	94 Å²	94	73.9 Å²	73.9	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.5	-173	-60.2	179	173.3	-167.6	-4.4	110.1	D248 Q385 A441 I442	D248-R388 WeakPolarHBondContact OD1-CD 3.27Å; D248-R388 IonicContact OD1-NH1 2.66Å; D248-R388 IonicContact OD2-CZ 3.9Å; D248-R388 IonicContact OD2-NH1 3.9Å; D248-R388 PolarHBondContact OD2-NH1 2.89Å; Q385-R388 PolarHBondContact O-NE 3.37Å; R388-A441 CarbonylContact C-O 3.52Å; R388-A441 VanDerWaalsContact CA-O 3.27Å; R388-A441 WeakPolarHBondContact CA-O 3.29Å; R388-I442 HydrophobicContact CG-CG1 4.29Å
389	V	85.2	Confident	68.6	Low	43 Å²	43	76.7 Å²	76.7	26%	0.261	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.3	162.6	141.9	0	0	0	0	107.9	F391 L405 S440 A441 I443	V389-F391 HydrophobicContact CG1-CD1 3.76Å; V389-F391 HydrophobicContact CG1-CE1 4.11Å; V389-L405 HydrophobicContact CB-CD2 4.21Å; V389-L405 HydrophobicContact CG1-CD1 4.32Å; V389-L405 HydrophobicContact CG1-CD2 3.54Å; V389-S440 WeakPolarHBondContact O-CA 3.04Å; V389-A441 PolarHBondContact N-O 3.24Å; V389-A441 PolarHBondContact O-N 3.3Å; V389-I443 HydrophobicContact CB-CG1 4.43Å; V389-I443 HydrophobicContact CG2-CD1 3.93Å; V389-I443 HydrophobicContact CG2-CG1 4.31Å
390	R	83.7	Confident	67.8	Low	88 Å²	88	81.5 Å²	81.5	33%	0.332	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	177	-53.3	176.9	-163.2	153.8	1.6	109.5	D248 L250 V439	D248-R390 PolarHBondContact O-NE 3.12Å; D248-R390 PolarHBondContact O-NH1 3.3Å; D248-R390 PolarHBondContact O-NH2 3.31Å; D248-R390 IonicContact OD1-CZ 2.99Å; D248-R390 IonicContact OD1-NE 3.87Å; D248-R390 PolarHBondContact OD1-NE 3.27Å; D248-R390 IonicContact OD1-NH2 2.88Å; D248-R390 PolarHBondContact OD1-NH2 3.27Å; L250-R390 PolarHBondContact O-NH1 2.78Å; R390-V439 CarbonylContact C-O 3.56Å; R390-V439 VanDerWaalsContact CA-O 3.23Å; R390-V439 WeakPolarHBondContact CA-O 3.43Å
391	F	87.1	Confident	67.8	Low	55 Å²	55	81.4 Å²	81.4	24%	0.241	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	160	173.4	64.7	-83.7	0	0	0	111.4	V389 F393 L405 W419 V439	V389-F391 HydrophobicContact CG1-CD1 3.76Å; V389-F391 HydrophobicContact CG1-CE1 4.11Å; F391-F393 HydrophobicContact CD2-CB 4.34Å; F391-F393 HydrophobicContact CE2-CB 4.23Å; F391-F393 HydrophobicContact CE2-CD1 4.1Å; F391-F393 HydrophobicContact CE2-CG 4.47Å; F391-L405 HydrophobicContact CE1-CD1 4.43Å; F391-L405 HydrophobicContact CE1-CD2 4.12Å; F391-W419 HydrophobicContact CZ-CE3 4.09Å; F391-W419 AromaticContact CZ-CZ3 3.94Å; F391-W419 HydrophobicContact CZ-CZ3 3.94Å; F391-V439 HydrophobicContact CD1-CB 3.95Å; F391-V439 HydrophobicContact CD1-CG1 4.16Å; F391-V439 HydrophobicContact CD2-CB 4.27Å; F391-V439 HydrophobicContact CD2-CG2 4.37Å; F391-V439 HydrophobicContact CE1-CB 3.56Å; F391-V439 HydrophobicContact CE1-CG1 3.39Å; F391-V439 HydrophobicContact CE1-CG2 4.23Å; F391-V439 HydrophobicContact CE2-CB 3.92Å; F391-V439 HydrophobicContact CE2-CG1 4.41Å; F391-V439 HydrophobicContact CE2-CG2 3.76Å; F391-V439 HydrophobicContact CG-CB 4.29Å; F391-V439 HydrophobicContact CZ-CB 3.56Å; F391-V439 HydrophobicContact CZ-CG1 3.56Å; F391-V439 HydrophobicContact CZ-CG2 3.68Å; F391-V439 PolarHBondContact N-O 3.21Å; F391-V439 PolarHBondContact O-N 3.17Å
392	F	83.6	Confident	68.4	Low	44 Å²	44	83.3 Å²	83.3	19%	0.193	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.1	174.7	-66.7	-92.5	0	0	0	109.3	S254 H339 W436 H437 R438	S254-F392 WeakPolarHBondContact OG-CE2 3.46Å; S254-F392 WeakPolarHBondContact OG-CZ 3.46Å; H339-F392 AromaticContact CD2-CD1 3.91Å; H339-F392 AromaticContact CE1-CD1 3.78Å; H339-F392 AromaticContact CE1-CD2 3.74Å; H339-F392 AromaticContact CE1-CE1 3.66Å; H339-F392 AromaticContact CE1-CE2 3.65Å; H339-F392 AromaticContact CE1-CG 3.82Å; H339-F392 AromaticContact CE1-CZ 3.62Å; H339-F392 AromaticContact ND1-CD2 3.76Å; H339-F392 AromaticContact ND1-CG 3.88Å; H339-F392 AromaticContact NE2-CD1 3.57Å; H339-F392 AromaticContact NE2-CE1 3.55Å; H339-F392 AromaticContact NE2-CG 3.98Å; H339-F392 AromaticContact NE2-CZ 3.99Å; F392-W436 HydrophobicContact CB-CB 4.3Å; F392-W436 HydrophobicContact CB-CE3 4.01Å; F392-W436 HydrophobicContact CD1-CB 4.38Å; F392-H437 CarbonylContact C-O 3.6Å; F392-H437 VanDerWaalsContact CA-O 3.27Å; F392-H437 WeakPolarHBondContact CA-O 3.37Å; F392-R438 HydrophobicContact CD1-CB 3.84Å; F392-R438 HydrophobicContact CD1-CG 4.09Å; F392-R438 HydrophobicContact CE1-CB 3.45Å; F392-R438 VanDerWaalsContact CE1-CB 3.45Å; F392-R438 HydrophobicContact CE1-CG 3.48Å; F392-R438 VanDerWaalsContact CE1-CG 3.48Å; F392-R438 HydrophobicContact CE2-CG 4.3Å; F392-R438 HydrophobicContact CZ-CB 4.11Å; F392-R438 HydrophobicContact CZ-CG 3.57Å
393	F	82.2	Confident	69.4	Low	43 Å²	43	82.3 Å²	82.3	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.5	174.9	81.2	-79.1	0	0	0	111.1	F391 V403 W419 H437 V439	F391-F393 HydrophobicContact CD2-CB 4.34Å; F391-F393 HydrophobicContact CE2-CB 4.23Å; F391-F393 HydrophobicContact CE2-CD1 4.1Å; F391-F393 HydrophobicContact CE2-CG 4.47Å; F393-V403 HydrophobicContact CD2-CG2 4.18Å; F393-V403 HydrophobicContact CE2-CG2 4.32Å; F393-W419 HydrophobicContact CD1-CH2 4.39Å; F393-W419 AromaticContact CE1-CH2 3.74Å; F393-W419 HydrophobicContact CE1-CH2 3.74Å; F393-W419 HydrophobicContact CE1-CZ2 4.22Å; F393-W419 HydrophobicContact CZ-CH2 4.06Å; F393-H437 HydrophobicContact CD1-CB 3.88Å; F393-H437 HydrophobicContact CE1-CB 3.51Å; F393-H437 HydrophobicContact CZ-CB 3.88Å; F393-H437 PolarHBondContact N-O 3.39Å; F393-H437 WeakPolarHBondContact O-CB 3.49Å; F393-H437 PolarHBondContact O-N 2.98Å; F393-V439 HydrophobicContact CD1-CG2 3.55Å; F393-V439 HydrophobicContact CE1-CG2 3.49Å; F393-V439 VanDerWaalsContact CE1-CG2 3.49Å
394	H	74.5	Confident	70.6	Confident	43 Å²	43	81.6 Å²	81.6	20%	0.199	38%	0.38	C	S	.	.			trans	-122.4	140.3	174.3	179.8	-79.6	0	0	0	107.8	I336 G433 Y435 W436	I336-H394 WeakPolarHBondContact CD1-CE1 3.19Å; H394-G433 PolarHBondContact CE1-O 3.27Å; H394-G433 PolarHBondContact NE2-O 3.48Å; H394-Y435 PolarHBondContact CD2-O 3.07Å; H394-Y435 VanDerWaalsContact CD2-O 3.25Å; H394-W436 HydrophobicContact CB-CD2 4.01Å; H394-W436 HydrophobicContact CB-CE3 3.85Å; H394-W436 HydrophobicContact CB-CH2 4.37Å; H394-W436 HydrophobicContact CB-CZ3 4.04Å
395	H	69.8	Low	71.7	Confident	46 Å²	46	80 Å²	80	21%	0.213	37%	0.374	C	S	.	.			trans	-125.8	140.3	173.4	103.6	-108.6	0	0	0	109.7
396	F	61.5	Low	72.4	Confident	120 Å²	120	80.2 Å²	80.2	53%	0.526	37%	0.374	S	S	.	.			trans	-137.6	126.5	173.8	-174.6	-101	0	0	0	108.9
397	G	52	Low	73	Confident	34 Å²	34	76.2 Å²	76.2	35%	0.351	36%	0.357	S	S	.	.			trans	148.3	161.6	172.3	0	0	0	0	0	113.6
398	R	49.4	Very low	73.3	Confident	215 Å²	215	77.4 Å²	77.4	81%	0.811	36%	0.363	S	S	*	.	S	Bend	trans	-85.9	-10.3	-169.5	-133.5	177.5	-141	176.6	4.3	114.7
399	D	49.3	Very low	72.9	Confident	105 Å²	105	74.4 Å²	74.4	56%	0.561	36%	0.356	S	S	*	.	S	Bend	trans	-119.2	170.1	-168.6	-63.1	-43.1	0	0	0	113.3	H401	D399-H401 PolarHBondContact O-CD2 2.75Å; D399-H401 PolarHBondContact O-CE1 2.77Å; D399-H401 PolarHBondContact O-N 3.2Å; D399-H401 PolarHBondContact O-ND1 3.18Å; D399-H401 PolarHBondContact O-NE2 3.39Å
400	W	52.4	Low	72	Confident	203 Å²	203	76.2 Å²	76.2	77%	0.769	37%	0.369	S	S	*	.			trans	-71.3	87.3	-165.5	-45.6	-58.8	0	0	0	113.7
401	H	60.7	Low	71.1	Confident	88 Å²	88	74.8 Å²	74.8	41%	0.407	37%	0.366	S	S	.	.			trans	-94.3	133.4	174	-38	117.9	0	0	0	110.6	D399	D399-H401 PolarHBondContact O-CD2 2.75Å; D399-H401 PolarHBondContact O-CE1 2.77Å; D399-H401 PolarHBondContact O-N 3.2Å; D399-H401 PolarHBondContact O-ND1 3.18Å; D399-H401 PolarHBondContact O-NE2 3.39Å
402	S	68.2	Low	70.3	Confident	50 Å²	50	74.5 Å²	74.5	35%	0.35	38%	0.379	S	S	.	.			trans	-129.9	125	174.3	27.7	0	0	0	0	110.4	F404	S402-F404 WeakPolarHBondContact O-CE2 3.4Å
403	V	77.4	Confident	69.1	Low	57 Å²	57	77.1 Å²	77.1	35%	0.345	40%	0.398	S	S	.	.			trans	-96.5	134.1	176.8	-175.2	0	0	0	0	108.1	F393 W419 G421	F393-V403 HydrophobicContact CD2-CG2 4.18Å; F393-V403 HydrophobicContact CE2-CG2 4.32Å; V403-W419 HydrophobicContact CB-CH2 4.5Å; V403-W419 HydrophobicContact CB-CZ3 4.03Å; V403-W419 HydrophobicContact CG1-CZ3 3.94Å; V403-G421 PolarHBondContact O-N 3.25Å
404	F	84.1	Confident	68.2	Low	76 Å²	76	79.7 Å²	79.7	33%	0.333	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	-179.4	-54.4	-83	0	0	0	110	S402 F406 K417 E420	S402-F404 WeakPolarHBondContact O-CE2 3.4Å; F404-F406 HydrophobicContact CB-CD2 4.03Å; F404-F406 HydrophobicContact CB-CE2 3.32Å; F404-F406 HydrophobicContact CB-CZ 3.86Å; F404-F406 HydrophobicContact CG-CE2 4.12Å; F404-F406 HydrophobicContact CG-CZ 4.3Å; F404-K417 HydrophobicContact CD1-CD 3.93Å; F404-E420 HydrophobicContact CD1-CB 4.02Å; F404-E420 HydrophobicContact CD1-CG 3.74Å; F404-E420 HydrophobicContact CE1-CB 4.35Å; F404-E420 VanDerWaalsContact CE1-CD 3.43Å; F404-E420 HydrophobicContact CE1-CG 3.59Å; F404-E420 WeakPolarHBondContact CE1-OE1 3.42Å
405	L	88	Confident	68.3	Low	33 Å²	33	85.8 Å²	85.8	17%	0.173	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.9	170.5	-173.1	68	0	0	0	109.4	V389 F391 I418 W419 A441	V389-L405 HydrophobicContact CB-CD2 4.21Å; V389-L405 HydrophobicContact CG1-CD1 4.32Å; V389-L405 HydrophobicContact CG1-CD2 3.54Å; F391-L405 HydrophobicContact CE1-CD1 4.43Å; F391-L405 HydrophobicContact CE1-CD2 4.12Å; L405-I418 HydrophobicContact CB-CG1 4.04Å; L405-I418 HydrophobicContact CD2-CD1 3.32Å; L405-I418 HydrophobicContact CD2-CG1 3.7Å; L405-I418 HydrophobicContact CG-CD1 3.69Å; L405-I418 HydrophobicContact CG-CG1 3.68Å; L405-I418 WeakPolarHBondContact O-CG1 3.38Å; L405-I418 PolarHBondContact O-N 3.21Å; L405-W419 HydrophobicContact CB-CB 3.96Å; L405-W419 HydrophobicContact CB-CE3 4.27Å; L405-W419 HydrophobicContact CD2-CB 4.44Å; L405-W419 PolarHBondContact N-O 3.22Å; L405-W419 PolarHBondContact O-N 2.81Å; L405-A441 HydrophobicContact CD2-CB 3.83Å
406	F	85.2	Confident	68.6	Low	80 Å²	80	88.3 Å²	88.3	35%	0.351	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	178.7	-63.9	-89.2	0	0	0	111	F404 V408 R415 R416 K417	F404-F406 HydrophobicContact CB-CD2 4.03Å; F404-F406 HydrophobicContact CB-CE2 3.32Å; F404-F406 HydrophobicContact CB-CZ 3.86Å; F404-F406 HydrophobicContact CG-CE2 4.12Å; F404-F406 HydrophobicContact CG-CZ 4.3Å; F406-V408 HydrophobicContact CB-CG2 4.01Å; F406-R415 HydrophobicContact CD1-CB 4.43Å; F406-R416 CarbonylContact C-O 3.57Å; F406-R416 VanDerWaalsContact CA-O 3.28Å; F406-R416 WeakPolarHBondContact CA-O 3.2Å; F406-K417 HydrophobicContact CD1-CB 3.81Å; F406-K417 HydrophobicContact CD1-CG 4.34Å; F406-K417 HydrophobicContact CE1-CB 3.58Å; F406-K417 HydrophobicContact CE1-CD 4.39Å; F406-K417 HydrophobicContact CE1-CG 3.95Å; F406-K417 HydrophobicContact CZ-CB 4.42Å; F406-K417 HydrophobicContact CZ-CD 4.48Å; F406-K417 HydrophobicContact CZ-CG 4.33Å
407	V	84.4	Confident	69.6	Low	32 Å²	32	87.8 Å²	87.8	19%	0.194	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.3	159.2	175.6	0	0	0	0	107.2	R415 R416 I418 I443 Q446	V407-R415 WeakPolarHBondContact O-CA 3.43Å; V407-R416 PolarHBondContact N-O 3.13Å; V407-R416 PolarHBondContact O-N 3.14Å; V407-I418 HydrophobicContact CB-CG2 4.34Å; V407-I418 HydrophobicContact CG2-CD1 3.69Å; V407-I418 HydrophobicContact CG2-CG1 4.15Å; V407-I418 HydrophobicContact CG2-CG2 3.7Å; V407-I443 HydrophobicContact CG2-CG2 4.4Å; V407-Q446 HydrophobicContact CG1-CG 4.2Å
408	V	81	Confident	71.2	Confident	76 Å²	76	88 Å²	88	46%	0.461	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.7	-175.9	-172.7	0	0	0	0	109.1	F406 V414 R415	F406-V408 HydrophobicContact CB-CG2 4.01Å; V408-V414 CarbonylContact C-O 3.58Å; V408-V414 WeakPolarHBondContact CA-O 3.37Å; V408-R415 HydrophobicContact CG2-CB 4.33Å
409	S	70.9	Confident	72.9	Confident	31 Å²	31	80.7 Å²	80.7	22%	0.217	41%	0.409	C	S	.	.			trans	-60.5	156	174.2	72.5	0	0	0	0	110.6	H411 G412 T413 V414	S409-H411 PolarHBondContact O-N 3.25Å; S409-G412 PolarHBondContact O-N 3.26Å; S409-G412 PolarHBondContact OG-N 2.92Å; S409-T413 PolarHBondContact OG-N 2.65Å; S409-T413 PolarHBondContact OG-OG1 3.38Å; S409-T413 VanDerWaalsContact OG-OG1 3.12Å; S409-V414 PolarHBondContact N-O 3.46Å; S409-V414 PolarHBondContact OG-N 2.89Å
410	P	66.9	Low	74.4	Confident	81 Å²	81	79 Å²	79	53%	0.526	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24	-178.7	-26.4	33.7	0	0	0	114.4	R368	R368-P410 PolarHBondContact NH2-O 3.13Å
411	H	65.1	Low	75.1	Confident	58 Å²	58	69.7 Å²	69.7	27%	0.269	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.2	-178	-56.8	-81.4	0	0	0	113.9	S409 T413 Q669	S409-H411 PolarHBondContact O-N 3.25Å; H411-T413 HydrophobicContact CB-CG2 4.31Å; H411-T413 PolarHBondContact O-N 2.92Å; H411-Q669 PolarHBondContact CD2-NE2 3.2Å; H411-Q669 VanDerWaalsContact CD2-NE2 3.34Å; H411-Q669 VanDerWaalsContact CE1-CD 3.4Å; H411-Q669 PolarHBondContact CE1-OE1 2.88Å; H411-Q669 VanDerWaalsContact CG-CD 3.5Å; H411-Q669 VanDerWaalsContact ND1-CD 3.33Å; H411-Q669 PolarHBondContact ND1-NE2 2.88Å; H411-Q669 PolarHBondContact NE2-OE1 2.84Å; H411-Q669 VanDerWaalsContact NE2-OE1 3.15Å
412	G	69.2	Low	75.3	Confident	50 Å²	50	69.3 Å²	69.3	52%	0.515	37%	0.366	S	S	.	.	S	Bend	trans	76.3	-3.3	178.1	0	0	0	0	0	115.5	S409	S409-G412 PolarHBondContact O-N 3.26Å; S409-G412 PolarHBondContact OG-N 2.92Å
413	T	60	Low	74.6	Confident	99 Å²	99	73.2 Å²	73.2	61%	0.607	38%	0.376	S	S	*	.	S	Bend	trans	-75.7	-33.6	-171.3	53.2	0	0	0	0	113.6	S409 H411	S409-T413 PolarHBondContact OG-N 2.65Å; S409-T413 PolarHBondContact OG-OG1 3.38Å; S409-T413 VanDerWaalsContact OG-OG1 3.12Å; H411-T413 HydrophobicContact CB-CG2 4.31Å; H411-T413 PolarHBondContact O-N 2.92Å
414	V	63.1	Low	73.3	Confident	97 Å²	97	72.1 Å²	72.1	59%	0.588	37%	0.371	S	S	*	.			trans	-117.4	122.8	179.8	-178	0	0	0	0	107.5	V408 S409	V408-V414 CarbonylContact C-O 3.58Å; V408-V414 WeakPolarHBondContact CA-O 3.37Å; S409-V414 PolarHBondContact N-O 3.46Å; S409-V414 PolarHBondContact OG-N 2.89Å
415	R	75	Confident	71.6	Confident	171 Å²	171	71.5 Å²	71.5	65%	0.645	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	173.5	65	-177.6	-176.7	-177.1	-2	109	F406 V407 V408	F406-R415 HydrophobicContact CD1-CB 4.43Å; V407-R415 WeakPolarHBondContact O-CA 3.43Å; V408-R415 HydrophobicContact CG2-CB 4.33Å
416	R	77.4	Confident	69.3	Low	99 Å²	99	71 Å²	71	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120	172.8	-179.4	167.1	62.5	-174.5	-13.7	108.5	F406 V407 I418 P444 Y445	F406-R416 CarbonylContact C-O 3.57Å; F406-R416 VanDerWaalsContact CA-O 3.28Å; F406-R416 WeakPolarHBondContact CA-O 3.2Å; V407-R416 PolarHBondContact N-O 3.13Å; V407-R416 PolarHBondContact O-N 3.14Å; R416-I418 HydrophobicContact CG-CG2 4.31Å; R416-I418 PolarHBondContact O-N 3.49Å; R416-P444 VanDerWaalsContact CZ-CB 3.41Å; R416-P444 PolarHBondContact NH2-O 3.19Å; R416-Y445 PolarHBondContact NH2-O 3.17Å
417	K	82.9	Confident	67.1	Low	108 Å²	108	71.1 Å²	71.1	47%	0.47	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.2	171.1	-170.8	175.1	60.3	170.2	0	107.9	F404 F406 E420	F404-K417 HydrophobicContact CD1-CD 3.93Å; F406-K417 HydrophobicContact CD1-CB 3.81Å; F406-K417 HydrophobicContact CD1-CG 4.34Å; F406-K417 HydrophobicContact CE1-CB 3.58Å; F406-K417 HydrophobicContact CE1-CD 4.39Å; F406-K417 HydrophobicContact CE1-CG 3.95Å; F406-K417 HydrophobicContact CZ-CB 4.42Å; F406-K417 HydrophobicContact CZ-CD 4.48Å; F406-K417 HydrophobicContact CZ-CG 4.33Å; K417-E420 HydrophobicContact CD-CB 4.37Å; K417-E420 IonicContact NZ-OE2 2.74Å; K417-E420 PolarHBondContact NZ-OE2 3.07Å
418	I	85.4	Confident	64.8	Low	40 Å²	40	72 Å²	72	21%	0.205	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-20	179.5	57.4	160.8	0	0	0	112.6	L405 V407 R416 P444	L405-I418 HydrophobicContact CB-CG1 4.04Å; L405-I418 HydrophobicContact CD2-CD1 3.32Å; L405-I418 HydrophobicContact CD2-CG1 3.7Å; L405-I418 HydrophobicContact CG-CD1 3.69Å; L405-I418 HydrophobicContact CG-CG1 3.68Å; L405-I418 WeakPolarHBondContact O-CG1 3.38Å; L405-I418 PolarHBondContact O-N 3.21Å; V407-I418 HydrophobicContact CB-CG2 4.34Å; V407-I418 HydrophobicContact CG2-CD1 3.69Å; V407-I418 HydrophobicContact CG2-CG1 4.15Å; V407-I418 HydrophobicContact CG2-CG2 3.7Å; R416-I418 HydrophobicContact CG-CG2 4.31Å; R416-I418 PolarHBondContact O-N 3.49Å; I418-P444 HydrophobicContact CG2-CG 3.74Å
419	W	83.8	Confident	62.5	Low	60 Å²	60	72.1 Å²	72.1	23%	0.227	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.9	174.4	178.5	89.8	0	0	0	111.4	F391 F393 V403 L405 V439 A441	F391-W419 HydrophobicContact CZ-CE3 4.09Å; F391-W419 AromaticContact CZ-CZ3 3.94Å; F391-W419 HydrophobicContact CZ-CZ3 3.94Å; F393-W419 HydrophobicContact CD1-CH2 4.39Å; F393-W419 AromaticContact CE1-CH2 3.74Å; F393-W419 HydrophobicContact CE1-CH2 3.74Å; F393-W419 HydrophobicContact CE1-CZ2 4.22Å; F393-W419 HydrophobicContact CZ-CH2 4.06Å; V403-W419 HydrophobicContact CB-CH2 4.5Å; V403-W419 HydrophobicContact CB-CZ3 4.03Å; V403-W419 HydrophobicContact CG1-CZ3 3.94Å; L405-W419 HydrophobicContact CB-CB 3.96Å; L405-W419 HydrophobicContact CB-CE3 4.27Å; L405-W419 HydrophobicContact CD2-CB 4.44Å; L405-W419 PolarHBondContact N-O 3.22Å; L405-W419 PolarHBondContact O-N 2.81Å; W419-V439 HydrophobicContact CD2-CG1 3.71Å; W419-V439 HydrophobicContact CE3-CG1 4.21Å; W419-V439 HydrophobicContact CG-CG1 4.03Å; W419-V439 HydrophobicContact CH2-CG1 4.44Å; W419-V439 HydrophobicContact CH2-CG2 3.65Å; W419-V439 HydrophobicContact CZ2-CB 4.4Å; W419-V439 HydrophobicContact CZ2-CG1 3.97Å; W419-V439 HydrophobicContact CZ2-CG2 3.48Å; W419-V439 VanDerWaalsContact CZ2-CG2 3.48Å; W419-V439 HydrophobicContact CZ3-CG2 4.31Å; W419-A441 HydrophobicContact CB-CB 3.99Å; W419-A441 HydrophobicContact CG-CB 4.46Å
420	E	81.2	Confident	60.8	Low	71 Å²	71	73.1 Å²	73.1	33%	0.332	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133	176.6	175.3	169.8	-175	0	0	108.9	F404 K417 K423	F404-E420 HydrophobicContact CD1-CB 4.02Å; F404-E420 HydrophobicContact CD1-CG 3.74Å; F404-E420 HydrophobicContact CE1-CB 4.35Å; F404-E420 VanDerWaalsContact CE1-CD 3.43Å; F404-E420 HydrophobicContact CE1-CG 3.59Å; F404-E420 WeakPolarHBondContact CE1-OE1 3.42Å; K417-E420 HydrophobicContact CD-CB 4.37Å; K417-E420 IonicContact NZ-OE2 2.74Å; K417-E420 PolarHBondContact NZ-OE2 3.07Å; E420-K423 IonicContact OE1-NZ 3.51Å
421	G	68.3	Low	59.4	Low	7 Å²	7	75.7 Å²	75.7	7%	0.072	41%	0.41	C	S	.	.			trans	-72.1	141.4	175.1	0	0	0	0	0	111.8	V403	V403-G421 PolarHBondContact O-N 3.25Å
422	D	63.5	Low	58.2	Low	79 Å²	79	78.6 Å²	78.6	42%	0.422	42%	0.423	S	S	.	.			trans	-69.5	133.1	-176.9	-169.1	17.2	0	0	0	111.8	S177 S424 V425	S177-D422 PolarHBondContact OG-OD2 2.95Å; D422-S424 VanDerWaalsContact C-N 3.26Å; D422-S424 PolarHBondContact O-N 2.03Å; D422-S424 PolarHBondContact OD1-N 2.86Å; D422-S424 PolarHBondContact OD2-OG 3.28Å; D422-V425 HydrophobicContact CB-CG2 4.39Å
423	K	54.8	Low	57.1	Low	132 Å²	132	77.8 Å²	77.8	57%	0.574	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-78.1	-11.8	-177.5	-63.1	179.4	-176.5	175.7	0	112.6	E420 V425 T426	E420-K423 IonicContact OE1-NZ 3.51Å; K423-V425 VanDerWaalsContact C-N 3.33Å; K423-T426 PolarHBondContact O-OG1 3.06Å; K423-T426 VanDerWaalsContact O-OG1 3.14Å
424	S	49.3	Very low	56.9	Low	35 Å²	35	77.6 Å²	77.6	25%	0.245	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-79.3	-12.9	-174.5	82.6	0	0	0	0	114.3	D422 T426	D422-S424 VanDerWaalsContact C-N 3.26Å; D422-S424 PolarHBondContact O-N 2.03Å; D422-S424 PolarHBondContact OD1-N 2.86Å; D422-S424 PolarHBondContact OD2-OG 3.28Å; S424-T426 VanDerWaalsContact C-N 3.3Å; S424-T426 PolarHBondContact O-N 2.74Å
425	V	48.4	Very low	56.7	Low	62 Å²	62	77.1 Å²	77.1	38%	0.376	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-75.1	-17.7	-174.8	-167.9	0	0	0	0	112.3	D422 K423 A427	D422-V425 HydrophobicContact CB-CG2 4.39Å; K423-V425 VanDerWaalsContact C-N 3.33Å; V425-A427 PolarHBondContact O-N 2.88Å
426	T	38.9	Very low	56.6	Low	23 Å²	23	71.8 Å²	71.8	14%	0.141	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-86.4	-2.2	-169.6	49.2	0	0	0	0	115.8	K423 S424	K423-T426 PolarHBondContact O-OG1 3.06Å; K423-T426 VanDerWaalsContact O-OG1 3.14Å; S424-T426 VanDerWaalsContact C-N 3.3Å; S424-T426 PolarHBondContact O-N 2.74Å
427	A	38.7	Very low	56.3	Low	82 Å²	82	70.1 Å²	70.1	68%	0.678	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-87	-13.1	-165.5	0	0	0	0	0	115.9	V425	V425-A427 PolarHBondContact O-N 2.88Å
428	V	36.5	Very low	55.9	Low	52 Å²	52	66.4 Å²	66.4	32%	0.315	35%	0.351	S	S	.	.	S	Bend	trans	-123	117	-178.2	-169.5	0	0	0	0	109.5	D430	V428-D430 VanDerWaalsContact CG1-OD1 3.31Å; V428-D430 WeakPolarHBondContact CG1-OD1 3.2Å; V428-D430 PolarHBondContact O-N 3.12Å
429	A	32.1	Very low	55.6	Low	78 Å²	78	64.6 Å²	64.6	65%	0.645	34%	0.342	S	S	*	.			trans	-65.6	77.2	171.9	0	0	0	0	0	109.8	Q431	A429-Q431 PolarHBondContact O-N 3.06Å
430	D	36.9	Very low	55.4	Low	51 Å²	51	62.3 Å²	62.3	27%	0.273	34%	0.335	S	S	.	.			trans	-77.6	123.9	177.3	-77.2	-19.2	0	0	0	109.9	V428 H432	V428-D430 VanDerWaalsContact CG1-OD1 3.31Å; V428-D430 WeakPolarHBondContact CG1-OD1 3.2Å; V428-D430 PolarHBondContact O-N 3.12Å; D430-H432 PolarHBondContact O-N 3.48Å
431	Q	36	Very low	55.4	Low	135 Å²	135	59.2 Å²	59.2	63%	0.631	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	8.2	176.4	-63.2	178.8	-4.1	0	0	113.1	A429	A429-Q431 PolarHBondContact O-N 3.06Å
432	H	39.9	Very low	56	Low	120 Å²	120	61.9 Å²	61.9	56%	0.556	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	27.2	-174.5	-59.1	101.1	0	0	0	114.4	D430 Y434 Y435	D430-H432 PolarHBondContact O-N 3.48Å; H432-Y434 HydrophobicContact CB-CD2 4.23Å; H432-Y434 HydrophobicContact CB-CE2 4.24Å; H432-Y434 WeakPolarHBondContact O-CD2 3.04Å; H432-Y434 PolarHBondContact O-N 3.03Å; H432-Y435 WeakPolarHBondContact O-CE2 3.08Å
433	G	46.6	Very low	56.8	Low	32 Å²	32	59.5 Å²	59.5	33%	0.33	32%	0.321	S	S	.	.			trans	-65.8	58.7	178.7	0	0	0	0	0	115.4	H394	H394-G433 PolarHBondContact CE1-O 3.27Å; H394-G433 PolarHBondContact NE2-O 3.48Å
434	Y	56.2	Low	57.7	Low	95 Å²	95	54.3 Å²	54.3	37%	0.373	30%	0.3	S	S	.	.			trans	-102.3	5.9	-173.8	-59.1	-61.7	0	0	0	114.5	A335 I336 H432	A335-Y434 HydrophobicContact CB-CD1 3.58Å; A335-Y434 HydrophobicContact CB-CE1 3.21Å; I336-Y434 HydrophobicContact CG1-CD1 4.4Å; H432-Y434 HydrophobicContact CB-CD2 4.23Å; H432-Y434 HydrophobicContact CB-CE2 4.24Å; H432-Y434 WeakPolarHBondContact O-CD2 3.04Å; H432-Y434 PolarHBondContact O-N 3.03Å
435	Y	59.2	Low	58.5	Low	87 Å²	87	54.8 Å²	54.8	34%	0.341	30%	0.297	S	S	.	.			trans	-111.7	133.7	-164.7	-56.7	-77.5	0	0	0	113.1	M140 H394 H432	M140-Y435 HydrophobicContact CE-CD2 4.11Å; M140-Y435 HydrophobicContact CE-CG 4.1Å; M140-Y435 HydrophobicContact CG-CD2 4.41Å; M140-Y435 HydrophobicContact CG-CE2 4.48Å; M140-Y435 HydrophobicContact SD-CD2 4.49Å; M140-Y435 HydrophobicContact SD-CG 4.39Å; H394-Y435 PolarHBondContact CD2-O 3.07Å; H394-Y435 VanDerWaalsContact CD2-O 3.25Å; H432-Y435 WeakPolarHBondContact O-CE2 3.08Å
436	W	72.6	Confident	59.2	Low	60 Å²	60	53.9 Å²	53.9	23%	0.227	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-80.1	131	174.3	-70.4	87.4	0	0	0	110.4	I336 S337 H339 F348 F392 H394	I336-W436 HydrophobicContact CG2-CZ2 4.37Å; S337-W436 PolarHBondContact O-NE1 3.22Å; H339-W436 HydrophobicContact CB-CD2 3.85Å; H339-W436 HydrophobicContact CB-CE3 4.41Å; H339-W436 HydrophobicContact CB-CG 3.93Å; H339-W436 HydrophobicContact CB-CZ2 4.49Å; H339-W436 AromaticContact CD2-CD1 3.96Å; H339-W436 AromaticContact CD2-CG 3.8Å; F348-W436 HydrophobicContact CB-CH2 3.85Å; F348-W436 HydrophobicContact CB-CZ2 4.32Å; F348-W436 HydrophobicContact CD2-CH2 4.22Å; F348-W436 HydrophobicContact CG-CH2 4.07Å; F348-W436 HydrophobicContact CG-CZ2 4.28Å; F392-W436 HydrophobicContact CB-CB 4.3Å; F392-W436 HydrophobicContact CB-CE3 4.01Å; F392-W436 HydrophobicContact CD1-CB 4.38Å; H394-W436 HydrophobicContact CB-CD2 4.01Å; H394-W436 HydrophobicContact CB-CE3 3.85Å; H394-W436 HydrophobicContact CB-CH2 4.37Å; H394-W436 HydrophobicContact CB-CZ3 4.04Å
437	H	71.4	Confident	59.7	Low	64 Å²	64	57.8 Å²	57.8	30%	0.296	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	174.5	-62.2	-78.5	0	0	0	110.3	F392 F393	F392-H437 CarbonylContact C-O 3.6Å; F392-H437 VanDerWaalsContact CA-O 3.27Å; F392-H437 WeakPolarHBondContact CA-O 3.37Å; F393-H437 HydrophobicContact CD1-CB 3.88Å; F393-H437 HydrophobicContact CE1-CB 3.51Å; F393-H437 HydrophobicContact CZ-CB 3.88Å; F393-H437 PolarHBondContact N-O 3.39Å; F393-H437 WeakPolarHBondContact O-CB 3.49Å; F393-H437 PolarHBondContact O-N 2.98Å
438	R	74.2	Confident	60	Low	29 Å²	29	56.4 Å²	56.4	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.2	174.2	-166.1	165.8	90.9	-178	20.3	111.3	Q180 D252 F392	Q180-R438 VanDerWaalsContact CG-CZ 3.49Å; Q180-R438 VanDerWaalsContact CG-NH2 3.3Å; Q180-R438 VanDerWaalsContact OE1-CZ 3.26Å; Q180-R438 VanDerWaalsContact OE1-NE 3.13Å; D252-R438 IonicContact OD2-CZ 3.49Å; D252-R438 IonicContact OD2-NH1 3.4Å; D252-R438 PolarHBondContact OD2-NH1 2.9Å; D252-R438 VanDerWaalsContact OD2-NH1 3.14Å; F392-R438 HydrophobicContact CD1-CB 3.84Å; F392-R438 HydrophobicContact CD1-CG 4.09Å; F392-R438 HydrophobicContact CE1-CB 3.45Å; F392-R438 VanDerWaalsContact CE1-CB 3.45Å; F392-R438 HydrophobicContact CE1-CG 3.48Å; F392-R438 VanDerWaalsContact CE1-CG 3.48Å; F392-R438 HydrophobicContact CE2-CG 4.3Å; F392-R438 HydrophobicContact CZ-CB 4.11Å; F392-R438 HydrophobicContact CZ-CG 3.57Å
439	V	78.6	Confident	60.8	Low	3 Å²	3	54.4 Å²	54.4	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.7	171.8	-178.3	0	0	0	0	108.4	R390 F391 F393 W419	R390-V439 CarbonylContact C-O 3.56Å; R390-V439 VanDerWaalsContact CA-O 3.23Å; R390-V439 WeakPolarHBondContact CA-O 3.43Å; F391-V439 HydrophobicContact CD1-CB 3.95Å; F391-V439 HydrophobicContact CD1-CG1 4.16Å; F391-V439 HydrophobicContact CD2-CB 4.27Å; F391-V439 HydrophobicContact CD2-CG2 4.37Å; F391-V439 HydrophobicContact CE1-CB 3.56Å; F391-V439 HydrophobicContact CE1-CG1 3.39Å; F391-V439 HydrophobicContact CE1-CG2 4.23Å; F391-V439 HydrophobicContact CE2-CB 3.92Å; F391-V439 HydrophobicContact CE2-CG1 4.41Å; F391-V439 HydrophobicContact CE2-CG2 3.76Å; F391-V439 HydrophobicContact CG-CB 4.29Å; F391-V439 HydrophobicContact CZ-CB 3.56Å; F391-V439 HydrophobicContact CZ-CG1 3.56Å; F391-V439 HydrophobicContact CZ-CG2 3.68Å; F391-V439 PolarHBondContact N-O 3.21Å; F391-V439 PolarHBondContact O-N 3.17Å; F393-V439 HydrophobicContact CD1-CG2 3.55Å; F393-V439 HydrophobicContact CE1-CG2 3.49Å; F393-V439 VanDerWaalsContact CE1-CG2 3.49Å; W419-V439 HydrophobicContact CD2-CG1 3.71Å; W419-V439 HydrophobicContact CE3-CG1 4.21Å; W419-V439 HydrophobicContact CG-CG1 4.03Å; W419-V439 HydrophobicContact CH2-CG1 4.44Å; W419-V439 HydrophobicContact CH2-CG2 3.65Å; W419-V439 HydrophobicContact CZ2-CB 4.4Å; W419-V439 HydrophobicContact CZ2-CG1 3.97Å; W419-V439 HydrophobicContact CZ2-CG2 3.48Å; W419-V439 VanDerWaalsContact CZ2-CG2 3.48Å; W419-V439 HydrophobicContact CZ3-CG2 4.31Å
440	S	79	Confident	62	Low	12 Å²	12	51.3 Å²	51.3	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	112.3	170.9	-174.3	0	0	0	0	106.3	D248 V389	D248-S440 PolarHBondContact OD2-OG 3.42Å; V389-S440 WeakPolarHBondContact O-CA 3.04Å
441	A	82.3	Confident	63.4	Low	6 Å²	6	49.6 Å²	49.6	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.8	-176.3	0	0	0	0	0	109.5	R388 V389 L405 W419 I443	R388-A441 CarbonylContact C-O 3.52Å; R388-A441 VanDerWaalsContact CA-O 3.27Å; R388-A441 WeakPolarHBondContact CA-O 3.29Å; V389-A441 PolarHBondContact N-O 3.24Å; V389-A441 PolarHBondContact O-N 3.3Å; L405-A441 HydrophobicContact CD2-CB 3.83Å; W419-A441 HydrophobicContact CB-CB 3.99Å; W419-A441 HydrophobicContact CG-CB 4.46Å; A441-I443 PolarHBondContact O-N 2.7Å
442	I	81.4	Confident	65	Low	62 Å²	62	43.1 Å²	43.1	32%	0.318	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.3	175.8	-62.8	161	0	0	0	108.2	Q385 R388 P444	Q385-I442 HydrophobicContact CB-CD1 3.98Å; Q385-I442 HydrophobicContact CB-CG1 4.28Å; Q385-I442 HydrophobicContact CB-CG2 4.32Å; Q385-I442 HydrophobicContact CG-CD1 3.88Å; Q385-I442 HydrophobicContact CG-CG2 4.33Å; R388-I442 HydrophobicContact CG-CG1 4.29Å; I442-P444 WeakPolarHBondContact O-CD 3.5Å
443	I	79.4	Confident	66.8	Low	30 Å²	30	37.4 Å²	37.4	15%	0.154	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-83.7	117	169.1	-53.7	-179.9	0	0	0	105.8	M372 C387 V389 V407 A441	M372-I443 HydrophobicContact CE-CB 3.58Å; M372-I443 HydrophobicContact CE-CG2 3.71Å; M372-I443 WeakPolarHBondContact CE-O 3.29Å; M372-I443 HydrophobicContact CG-CG2 4.2Å; M372-I443 HydrophobicContact SD-CB 3.98Å; M372-I443 HydrophobicContact SD-CG2 3.97Å; C387-I443 PolarHBondContact O-N 3.07Å; V389-I443 HydrophobicContact CB-CG1 4.43Å; V389-I443 HydrophobicContact CG2-CD1 3.93Å; V389-I443 HydrophobicContact CG2-CG1 4.31Å; V407-I443 HydrophobicContact CG2-CG2 4.4Å; A441-I443 PolarHBondContact O-N 2.7Å
444	P	73.6	Confident	67.8	Low	22 Å²	22	35.9 Å²	35.9	14%	0.143	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-74.5	151.3	173	22.7	-31.7	0	0	0	111	R416 I418 I442 Q446	R416-P444 VanDerWaalsContact CZ-CB 3.41Å; R416-P444 PolarHBondContact NH2-O 3.19Å; I418-P444 HydrophobicContact CG2-CG 3.74Å; I442-P444 WeakPolarHBondContact O-CD 3.5Å; P444-Q446 VanDerWaalsContact O-CD 3.3Å; P444-Q446 PolarHBondContact O-NE2 2.88Å; P444-Q446 VanDerWaalsContact O-NE2 3.07Å
445	Y	67.4	Low	68.7	Low	45 Å²	45	31.4 Å²	31.4	18%	0.176	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-53.2	146.7	176.5	87.7	-67.4	0	0	0	111.9	K374 D377 R416 E447	K374-Y445 HydrophobicContact CB-CD2 3.97Å; K374-Y445 HydrophobicContact CB-CE2 4.41Å; K374-Y445 HydrophobicContact CB-CG 4.46Å; K374-Y445 HydrophobicContact CD-CE2 4.19Å; K374-Y445 HydrophobicContact CG-CD2 4.01Å; K374-Y445 HydrophobicContact CG-CE2 4.07Å; K374-Y445 HydrophobicContact CG-CG 4.41Å; D377-Y445 HydrophobicContact CB-CD1 3.81Å; D377-Y445 HydrophobicContact CB-CE1 4.4Å; D377-Y445 HydrophobicContact CB-CG 4.4Å; D377-Y445 PolarHBondContact OD1-N 2.98Å; D377-Y445 WeakPolarHBondContact OD2-CD1 3.44Å; R416-Y445 PolarHBondContact NH2-O 3.17Å; Y445-E447 HydrophobicContact CD2-CG 4.31Å; Y445-E447 HydrophobicContact CE2-CB 4.49Å; Y445-E447 HydrophobicContact CE2-CG 3.48Å; Y445-E447 VanDerWaalsContact CE2-CG 3.48Å; Y445-E447 PolarHBondContact OH-OE1 2.7Å
446	Q	63.1	Low	69.5	Low	43 Å²	43	27.6 Å²	27.6	20%	0.201	13%	0.134	C	C	.	.			trans	-106.9	122.1	172.1	-58.8	80.4	7.3	0	0	105.8	P371 M372 V407 P444 N448	P371-Q446 HydrophobicContact CB-CB 4.3Å; M372-Q446 VanDerWaalsContact CG-OE1 3.32Å; V407-Q446 HydrophobicContact CG1-CG 4.2Å; P444-Q446 VanDerWaalsContact O-CD 3.3Å; P444-Q446 PolarHBondContact O-NE2 2.88Å; P444-Q446 VanDerWaalsContact O-NE2 3.07Å; Q446-N448 VanDerWaalsContact CB-ND2 3.29Å; Q446-N448 WeakPolarHBondContact CB-ND2 3.21Å; Q446-N448 PolarHBondContact O-N 2.98Å; Q446-N448 VanDerWaalsContact O-N 3.16Å; Q446-N448 PolarHBondContact O-ND2 2.94Å
447	E	48.2	Very low	69.3	Low	106 Å²	106	25 Å²	25	50%	0.495	13%	0.126	S	C	.	.			trans	-57.7	119	171.7	-67.8	-175.2	154.2	0	0	108.7	Y445 R696	Y445-E447 HydrophobicContact CD2-CG 4.31Å; Y445-E447 HydrophobicContact CE2-CB 4.49Å; Y445-E447 HydrophobicContact CE2-CG 3.48Å; Y445-E447 VanDerWaalsContact CE2-CG 3.48Å; Y445-E447 PolarHBondContact OH-OE1 2.7Å; E447-R696 IonicContact OE1-NH1 2.65Å; E447-R696 PolarHBondContact OE1-NH1 2.75Å; E447-R696 VanDerWaalsContact OE1-NH1 3.12Å; E447-R696 IonicContact OE2-CZ 3.22Å; E447-R696 IonicContact OE2-NH1 2.88Å; E447-R696 PolarHBondContact OE2-NH1 2.8Å
448	N	46.2	Very low	69.1	Low	53 Å²	53	22.3 Å²	22.3	28%	0.283	12%	0.115	S	C	.	.			trans	-140.1	124.7	177.9	-70.1	-85.6	0	0	0	111.3	P371 Q446 Y679	P371-N448 HydrophobicContact CB-CB 4.32Å; P371-N448 VanDerWaalsContact CB-CG 3.48Å; P371-N448 WeakPolarHBondContact CB-ND2 3.04Å; P371-N448 HydrophobicContact CG-CB 4.19Å; Q446-N448 VanDerWaalsContact CB-ND2 3.29Å; Q446-N448 WeakPolarHBondContact CB-ND2 3.21Å; Q446-N448 PolarHBondContact O-N 2.98Å; Q446-N448 VanDerWaalsContact O-N 3.16Å; Q446-N448 PolarHBondContact O-ND2 2.94Å; N448-Y679 HydrophobicContact CB-CD2 4.38Å; N448-Y679 HydrophobicContact CB-CE2 4.17Å
449	D	52.9	Low	68.7	Low	9 Å²	9	24.4 Å²	24.4	5%	0.048	13%	0.125	C	C	.	.			trans	-102.1	-178	172.6	-53.1	-47.9	0	0	0	110.1	V451 E479 A480 A481 Y679 R696	D449-V451 WeakPolarHBondContact O-CG2 3.25Å; D449-V451 PolarHBondContact O-N 3.01Å; D449-E479 HydrophobicContact CB-CG 3.66Å; D449-E479 PolarHBondContact N-OE1 3.46Å; D449-A480 VanDerWaalsContact CB-C 3.41Å; D449-A481 HydrophobicContact CB-CB 4.22Å; D449-Y679 WeakPolarHBondContact O-CD2 3.35Å; D449-R696 IonicContact OD1-CZ 2.7Å; D449-R696 IonicContact OD1-NE 3.57Å; D449-R696 PolarHBondContact OD1-NE 3.5Å; D449-R696 IonicContact OD1-NH2 2.77Å; D449-R696 PolarHBondContact OD1-NH2 2.69Å; D449-R696 IonicContact OD2-CZ 3.75Å; D449-R696 IonicContact OD2-NH2 3.25Å; D449-R696 PolarHBondContact OD2-NH2 2.85Å
450	L	56.6	Low	67.6	Low	14 Å²	14	24.8 Å²	24.8	7%	0.073	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	114.6	175.9	-140.9	133.2	0	0	0	108.2	E479 A480 F482 L484 V547 L562 L676 I678	L450-E479 CarbonylContact O-C 3.39Å; L450-E479 VanDerWaalsContact O-CA 3.28Å; L450-E479 WeakPolarHBondContact O-CA 3.34Å; L450-A480 WeakPolarHBondContact CA-O 3.36Å; L450-A480 WeakPolarHBondContact CB-O 3.47Å; L450-A480 PolarHBondContact N-O 3.15Å; L450-A480 PolarHBondContact O-N 2.96Å; L450-F482 HydrophobicContact CB-CD2 4.13Å; L450-F482 HydrophobicContact CB-CE2 4.32Å; L450-F482 HydrophobicContact CD1-CD2 4.03Å; L450-L484 HydrophobicContact CD1-CD1 4.46Å; L450-V547 HydrophobicContact CD2-CG1 4.45Å; L450-V547 HydrophobicContact CD2-CG2 4.45Å; L450-L562 HydrophobicContact CD2-CD2 3.46Å; L450-L562 VanDerWaalsContact CD2-CD2 3.46Å; L450-L676 HydrophobicContact CD2-CD1 3.73Å; L450-I678 HydrophobicContact CD1-CG1 4.48Å; L450-I678 HydrophobicContact CD1-CG2 4.27Å; L450-I678 HydrophobicContact CD2-CG1 4.28Å; L450-I678 HydrophobicContact CG-CG1 4.35Å
451	V	66.2	Low	66.5	Low	14 Å²	14	26.5 Å²	26.5	9%	0.085	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.7	-174.6	-174	0	0	0	0	110.1	D449 V477 V478 E479 Y675 Y677	D449-V451 WeakPolarHBondContact O-CG2 3.25Å; D449-V451 PolarHBondContact O-N 3.01Å; V451-V477 HydrophobicContact CG1-CG1 3.58Å; V451-V478 CarbonylContact C-O 3.55Å; V451-V478 VanDerWaalsContact CA-O 3.29Å; V451-V478 WeakPolarHBondContact CA-O 3.38Å; V451-E479 HydrophobicContact CG2-CB 4.11Å; V451-E479 HydrophobicContact CG2-CG 3.89Å; V451-Y675 HydrophobicContact CG1-CE2 4.21Å; V451-Y677 PolarHBondContact N-O 3.2Å; V451-Y677 PolarHBondContact O-N 3.5Å
452	A	69.2	Low	64.7	Low	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.6	168.2	0	0	0	0	0	111.2	V477 V478 T545 L562 A564 Y675 L676	A452-V477 CarbonylContact O-C 3.51Å; A452-V477 WeakPolarHBondContact O-CA 3.3Å; A452-V478 PolarHBondContact N-O 3.4Å; A452-V478 PolarHBondContact O-N 2.88Å; A452-T545 HydrophobicContact CB-CG2 3.9Å; A452-L562 HydrophobicContact CB-CD1 3.79Å; A452-L562 HydrophobicContact CB-CD2 3.81Å; A452-L562 HydrophobicContact CB-CG 3.97Å; A452-A564 HydrophobicContact CB-CB 3.84Å; A452-A564 WeakPolarHBondContact O-CB 3.49Å; A452-Y675 CarbonylContact C-O 3.49Å; A452-Y675 WeakPolarHBondContact CA-O 3.46Å; A452-L676 HydrophobicContact CB-CD1 3.82Å
453	A	77.7	Confident	62.9	Low	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	172.6	0	0	0	0	0	110.2	A476 V477 T545 N670 G674 Y675	A453-A476 CarbonylContact C-O 3.54Å; A453-A476 VanDerWaalsContact CA-O 3.3Å; A453-A476 WeakPolarHBondContact CA-O 3.43Å; A453-V477 HydrophobicContact CB-CG2 3.72Å; A453-T545 VanDerWaalsContact O-CB 3.25Å; A453-T545 WeakPolarHBondContact O-CB 3.42Å; A453-T545 PolarHBondContact O-OG1 3.06Å; A453-N670 HydrophobicContact CB-CB 3.93Å; A453-G674 WeakPolarHBondContact O-CA 3.44Å; A453-Y675 HydrophobicContact CB-CD1 3.57Å; A453-Y675 HydrophobicContact CB-CD2 4.04Å; A453-Y675 HydrophobicContact CB-CE1 3.28Å; A453-Y675 HydrophobicContact CB-CE2 3.77Å; A453-Y675 HydrophobicContact CB-CG 3.94Å; A453-Y675 PolarHBondContact N-O 2.66Å; A453-Y675 PolarHBondContact O-N 3.07Å
454	G	68.3	Low	61	Low	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-73.2	161.3	166.2	0	0	0	0	0	110.8	G475 A476 A564 A565 N670	G454-G475 WeakPolarHBondContact O-CA 3.47Å; G454-A476 PolarHBondContact N-O 3.16Å; G454-A564 WeakPolarHBondContact CA-O 3.41Å; G454-A565 WeakPolarHBondContact CA-O 3.5Å; G454-N670 WeakPolarHBondContact O-CB 3.46Å; G454-N670 PolarHBondContact O-ND2 3.36Å
455	A	74.3	Confident	59.3	Low	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-83.9	156.3	-178	0	0	0	0	0	112.6	G495 Q496 G543 G566 G567 R672	A455-G495 WeakPolarHBondContact CB-O 3.36Å; A455-Q496 WeakPolarHBondContact CB-O 3.48Å; A455-G543 WeakPolarHBondContact CB-O 3.35Å; A455-G543 PolarHBondContact N-O 2.76Å; A455-G566 CarbonylContact O-C 3.59Å; A455-G566 WeakPolarHBondContact O-CA 2.84Å; A455-G567 PolarHBondContact O-N 2.78Å; A455-R672 CarbonylContact C-O 3.39Å; A455-R672 VanDerWaalsContact CA-O 3.26Å; A455-R672 WeakPolarHBondContact CA-O 3.15Å
456	S	77	Confident	57.8	Low	8 Å²	8	49.8 Å²	49.8	6%	0.056	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.7	149.9	172.6	65.1	0	0	0	0	113.1	H473 T497 G498 G542 N670 P671 R672	S456-H473 CarbonylContact C-O 3.54Å; S456-H473 WeakPolarHBondContact CA-O 3.1Å; S456-H473 VanDerWaalsContact CB-O 3.28Å; S456-H473 WeakPolarHBondContact CB-O 3.46Å; S456-T497 CarbonylContact O-C 3.57Å; S456-T497 VanDerWaalsContact O-CA 3.3Å; S456-T497 WeakPolarHBondContact O-CA 3.34Å; S456-T497 WeakPolarHBondContact OG-CG2 3.36Å; S456-G498 PolarHBondContact O-N 2.73Å; S456-G542 WeakPolarHBondContact O-CA 3.34Å; S456-N670 WeakPolarHBondContact CB-O 3.39Å; S456-P671 VanDerWaalsContact CB-C 3.43Å; S456-P671 PolarHBondContact OG-O 3.34Å; S456-P671 VanDerWaalsContact OG-O 3.13Å; S456-R672 PolarHBondContact N-O 3.11Å; S456-R672 PolarHBondContact OG-N 2.78Å
457	G	67.7	Low	56.7	Low	6 Å²	6	50.4 Å²	50.4	6%	0.062	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-72.9	165.3	163.5	0	0	0	0	0	112.6	H473 G540	G457-H473 PolarHBondContact N-O 3.37Å; G457-G540 CarbonylContact C-O 3.59Å; G457-G540 WeakPolarHBondContact CA-O 3.35Å
458	A	67.2	Low	56.1	Low	6 Å²	6	50.3 Å²	50.3	5%	0.05	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-82.4	134.7	175	0	0	0	0	0	111.4	G498 Q499 N500 G540 Q570	A458-G498 VanDerWaalsContact CB-C 3.43Å; A458-G498 WeakPolarHBondContact CB-O 3.34Å; A458-Q499 WeakPolarHBondContact CB-O 3.11Å; A458-N500 HydrophobicContact CB-CB 4.01Å; A458-G540 PolarHBondContact N-O 2.82Å; A458-Q570 PolarHBondContact O-N 2.98Å; A458-Q570 VanDerWaalsContact O-N 3.08Å
459	K	66.7	Low	55.7	Low	74 Å²	74	58 Å²	58	32%	0.322	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-90.8	140.8	166.8	-64.4	-175.4	173.6	-166.9	0	109.7	D463 N500	K459-D463 IonicContact NZ-OD2 2.65Å; K459-D463 PolarHBondContact NZ-OD2 2.88Å; K459-N500 PolarHBondContact O-ND2 3.22Å
460	L	56.3	Low	55.2	Low	11 Å²	11	66.4 Å²	66.4	6%	0.058	35%	0.354	C	S	.	.	S	Bend	trans	-79.3	-33.9	178.1	-75.1	169.6	0	0	0	112.1	P501 P537 Q570 A572	L460-P501 HydrophobicContact CD2-CG 4Å; L460-P537 VanDerWaalsContact CD1-O 3.3Å; L460-P537 WeakPolarHBondContact CD1-O 3.11Å; L460-P537 HydrophobicContact CD2-CB 4.47Å; L460-Q570 WeakPolarHBondContact CD1-O 3.25Å; L460-Q570 HydrophobicContact CG-CB 4.38Å; L460-A572 HydrophobicContact CD1-CB 4.08Å
461	V	54.1	Low	55	Low	47 Å²	47	67.1 Å²	67.1	29%	0.285	36%	0.358	S	S	.	.	S	Bend	trans	-118.7	143.6	-179.1	-173.8	0	0	0	0	109.9	D463 D521	V461-D463 PolarHBondContact O-N 3Å; V461-D463 VanDerWaalsContact O-N 3.16Å; V461-D521 VanDerWaalsContact CG1-OD1 3.26Å; V461-D521 WeakPolarHBondContact CG1-OD1 3.5Å; V461-D521 WeakPolarHBondContact CG2-OD1 3.43Å
462	K	44.4	Very low	54.4	Low	205 Å²	205	68.5 Å²	68.5	89%	0.891	38%	0.375	S	S	*	.			trans	-76.7	98.7	176.7	-151.7	-178.5	-170.7	-176.6	0	107.4	D464	K462-D464 PolarHBondContact O-N 2.91Å
463	D	45.2	Very low	54	Low	62 Å²	62	69.1 Å²	69.1	33%	0.332	38%	0.378	S	S	.	.			trans	-55.5	132.6	175.5	-79.1	-38.3	0	0	0	110.5	K459 V461	K459-D463 IonicContact NZ-OD2 2.65Å; K459-D463 PolarHBondContact NZ-OD2 2.88Å; V461-D463 PolarHBondContact O-N 3Å; V461-D463 VanDerWaalsContact O-N 3.16Å
464	D	38.5	Very low	53.6	Low	137 Å²	137	70.4 Å²	70.4	73%	0.733	39%	0.387	S	S	*	.			trans	-56	144.2	161.3	-131.5	-13.8	0	0	0	108.9	K462 S466	K462-D464 PolarHBondContact O-N 2.91Å; D464-S466 PolarHBondContact O-N 3.48Å
465	V	38.4	Very low	53.6	Low	145 Å²	145	70.4 Å²	70.4	88%	0.879	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	6.9	-166.5	178.8	0	0	0	0	114.1
466	S	35.7	Very low	53.3	Low	106 Å²	106	71 Å²	71	74%	0.741	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.7	-168.6	56.7	0	0	0	0	116.5	D464	D464-S466 PolarHBondContact O-N 3.48Å
467	S	39.5	Very low	53.2	Low	56 Å²	56	70.6 Å²	70.6	39%	0.392	39%	0.389	S	S	.	.			trans	-104.3	58	-178.4	66.5	0	0	0	0	114.3	R469	S467-R469 PolarHBondContact O-N 2.66Å
468	A	36.3	Very low	53.3	Low	104 Å²	104	70.3 Å²	70.3	86%	0.86	39%	0.386	S	S	*	.			trans	-74.4	32.7	177.1	0	0	0	0	0	115.2
469	R	36.8	Very low	53.6	Low	215 Å²	215	70.9 Å²	70.9	81%	0.811	39%	0.388	S	S	*	.	S	Bend	trans	-108	113.4	174.5	-87.5	-174.1	-124.3	-172.7	1.1	109.8	S467 N471	S467-R469 PolarHBondContact O-N 2.66Å; R469-N471 PolarHBondContact O-N 3.38Å; R469-N471 PolarHBondContact O-ND2 2.72Å; R469-N471 PolarHBondContact O-OD1 3.26Å
470	F	44	Very low	53.6	Low	184 Å²	184	67.3 Å²	67.3	81%	0.807	37%	0.372	S	S	*	.			trans	11.3	78.1	162.9	-62.6	-83.8	0	0	0	116.3	D668	F470-D668 VanDerWaalsContact C-OD2 3.29Å; F470-D668 WeakPolarHBondContact CA-OD2 3.03Å
471	N	51.6	Low	54.1	Low	29 Å²	29	68.7 Å²	68.7	16%	0.155	39%	0.385	C	S	.	.			trans	-106.1	105.1	177.8	-69.7	-30.4	0	0	0	106.8	R469 H473 D668	R469-N471 PolarHBondContact O-N 3.38Å; R469-N471 PolarHBondContact O-ND2 2.72Å; R469-N471 PolarHBondContact O-OD1 3.26Å; N471-H473 PolarHBondContact O-N 2.84Å; N471-D668 PolarHBondContact N-OD2 2.03Å; N471-D668 VanDerWaalsContact O-OD1 3.1Å
472	G	53	Low	54.8	Low	43 Å²	43	68 Å²	68	44%	0.443	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	30.1	-168.5	0	0	0	0	0	119	G568 D668	G472-G568 PolarHBondContact O-N 3.43Å; G472-G568 VanDerWaalsContact O-N 3.15Å; G472-D668 WeakPolarHBondContact CA-OD1 3.47Å
473	H	60.5	Low	55.8	Low	13 Å²	13	62.7 Å²	62.7	6%	0.06	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-19.2	170.5	-52.6	-61.6	0	0	0	112	S456 G457 N471 G567 G568	S456-H473 CarbonylContact C-O 3.54Å; S456-H473 WeakPolarHBondContact CA-O 3.1Å; S456-H473 VanDerWaalsContact CB-O 3.28Å; S456-H473 WeakPolarHBondContact CB-O 3.46Å; G457-H473 PolarHBondContact N-O 3.37Å; N471-H473 PolarHBondContact O-N 2.84Å; H473-G567 WeakPolarHBondContact O-CA 3.35Å; H473-G568 WeakPolarHBondContact CA-O 3.06Å; H473-G568 PolarHBondContact ND1-O 3.39Å
474	S	70.8	Confident	56.8	Low	28 Å²	28	62.5 Å²	62.5	20%	0.196	36%	0.359	C	S	.	.	S	Bend	trans	-82.3	146.1	-178.9	-39.8	0	0	0	0	110.2	D668 N670	S474-D668 WeakPolarHBondContact CA-OD1 2.94Å; S474-D668 WeakPolarHBondContact CB-OD1 3.41Å; S474-D668 PolarHBondContact N-OD1 3.21Å; S474-D668 PolarHBondContact OG-OD1 3.25Å; S474-D668 VanDerWaalsContact OG-OD1 3.05Å; S474-N670 CarbonylContact C-O 3.53Å; S474-N670 WeakPolarHBondContact CA-O 3.3Å; S474-N670 WeakPolarHBondContact CB-O 3.45Å
475	G	67.7	Low	57.9	Low	0 Å²	0	59 Å²	59	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	155	174.6	0	0	0	0	0	112.4	G454 A565 Q669 N670	G454-G475 WeakPolarHBondContact O-CA 3.47Å; G475-A565 CarbonylContact C-O 3.57Å; G475-A565 WeakPolarHBondContact CA-O 3.38Å; G475-Q669 PolarHBondContact O-N 2.93Å; G475-N670 PolarHBondContact N-O 2.03Å; G475-N670 PolarHBondContact O-N 3.42Å
476	A	68.1	Low	58.6	Low	11 Å²	11	62.1 Å²	62.1	9%	0.091	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	152	174.5	0	0	0	0	0	111.3	A453 G454 A565 S656 R666	A453-A476 CarbonylContact C-O 3.54Å; A453-A476 VanDerWaalsContact CA-O 3.3Å; A453-A476 WeakPolarHBondContact CA-O 3.43Å; G454-A476 PolarHBondContact N-O 3.16Å; A476-A565 HydrophobicContact CB-CB 4.17Å; A476-A565 PolarHBondContact N-O 2.84Å; A476-S656 WeakPolarHBondContact CB-OG 3.08Å; A476-R666 CarbonylContact C-O 3.56Å; A476-R666 WeakPolarHBondContact CA-O 3.22Å
477	V	75.5	Confident	59.9	Low	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.6	173.5	176.7	0	0	0	0	108.9	V451 A452 A453 R666 Q669 N670	V451-V477 HydrophobicContact CG1-CG1 3.58Å; A452-V477 CarbonylContact O-C 3.51Å; A452-V477 WeakPolarHBondContact O-CA 3.3Å; A453-V477 HydrophobicContact CB-CG2 3.72Å; V477-R666 HydrophobicContact CB-CB 4.37Å; V477-R666 PolarHBondContact N-O 3.21Å; V477-R666 PolarHBondContact O-N 3.4Å; V477-Q669 HydrophobicContact CB-CB 4.36Å; V477-Q669 HydrophobicContact CG2-CB 3.77Å; V477-Q669 VanDerWaalsContact CG2-OE1 3.3Å; V477-N670 HydrophobicContact CG2-CB 4.36Å
478	V	69.1	Low	61.4	Low	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.3	-178.8	-173	0	0	0	0	108.4	V451 A452 L562 A564 S656 V664 F665	V451-V478 CarbonylContact C-O 3.55Å; V451-V478 VanDerWaalsContact CA-O 3.29Å; V451-V478 WeakPolarHBondContact CA-O 3.38Å; A452-V478 PolarHBondContact N-O 3.4Å; A452-V478 PolarHBondContact O-N 2.88Å; V478-L562 HydrophobicContact CB-CD1 3.48Å; V478-L562 VanDerWaalsContact CB-CD1 3.48Å; V478-L562 HydrophobicContact CG1-CD1 3.46Å; V478-L562 VanDerWaalsContact CG1-CD1 3.46Å; V478-L562 HydrophobicContact CG2-CD1 4.27Å; V478-A564 HydrophobicContact CB-CB 4.28Å; V478-A564 HydrophobicContact CG2-CB 3.73Å; V478-S656 VanDerWaalsContact CG2-CB 3.44Å; V478-S656 WeakPolarHBondContact CG2-OG 3.3Å; V478-V664 WeakPolarHBondContact CA-O 2.94Å; V478-F665 HydrophobicContact CB-CD1 4.34Å; V478-F665 HydrophobicContact CG1-CD1 3.71Å; V478-F665 HydrophobicContact CG1-CE1 3.6Å; V478-F665 HydrophobicContact CG1-CZ 4.49Å; V478-F665 HydrophobicContact CG2-CD1 3.84Å; V478-F665 HydrophobicContact CG2-CE1 4.28Å
479	E	73.1	Confident	63.1	Low	17 Å²	17	59.7 Å²	59.7	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.1	-177.2	175.7	168.2	-162.8	0	0	108.7	D449 L450 V451 A663 V664 R666	D449-E479 HydrophobicContact CB-CG 3.66Å; D449-E479 PolarHBondContact N-OE1 3.46Å; L450-E479 CarbonylContact O-C 3.39Å; L450-E479 VanDerWaalsContact O-CA 3.28Å; L450-E479 WeakPolarHBondContact O-CA 3.34Å; V451-E479 HydrophobicContact CG2-CB 4.11Å; V451-E479 HydrophobicContact CG2-CG 3.89Å; E479-A663 CarbonylContact O-C 3.6Å; E479-A663 VanDerWaalsContact O-CA 3.24Å; E479-A663 WeakPolarHBondContact O-CA 3.35Å; E479-V664 HydrophobicContact CB-CB 4.43Å; E479-V664 PolarHBondContact N-O 3.37Å; E479-V664 PolarHBondContact O-N 3.28Å; E479-R666 IonicContact OE2-CZ 3.88Å; E479-R666 IonicContact OE2-NH1 3.98Å; E479-R666 PolarHBondContact OE2-NH1 2.77Å; E479-R666 IonicContact OE2-NH2 2.84Å; E479-R666 PolarHBondContact OE2-NH2 2.81Å
480	A	67.8	Low	65	Low	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	143.4	-172.1	0	0	0	0	0	113.4	D449 L450 F482 S658 A660 A663	D449-A480 VanDerWaalsContact CB-C 3.41Å; L450-A480 WeakPolarHBondContact CA-O 3.36Å; L450-A480 WeakPolarHBondContact CB-O 3.47Å; L450-A480 PolarHBondContact N-O 3.15Å; L450-A480 PolarHBondContact O-N 2.96Å; A480-F482 HydrophobicContact CB-CE2 3.58Å; A480-F482 HydrophobicContact CB-CZ 3.73Å; A480-S658 WeakPolarHBondContact CB-OG 3.09Å; A480-A660 HydrophobicContact CB-CB 4.22Å; A480-A663 HydrophobicContact CB-CB 3.76Å
481	A	65.2	Low	66.4	Low	40 Å²	40	46.1 Å²	46.1	33%	0.331	26%	0.264	S	S	.	.			trans	-101.6	133	-177.1	0	0	0	0	0	111.9	D449 A660	D449-A481 HydrophobicContact CB-CB 4.22Å; A481-A660 WeakPolarHBondContact O-CB 3.33Å
482	F	69.9	Low	67.8	Low	31 Å²	31	48.2 Å²	48.2	14%	0.136	28%	0.275	C	S	.	.			trans	-129.9	141	-179.7	-57.1	-84.1	0	0	0	111.9	L450 A480 L484 L561 L562 S659 A660	L450-F482 HydrophobicContact CB-CD2 4.13Å; L450-F482 HydrophobicContact CB-CE2 4.32Å; L450-F482 HydrophobicContact CD1-CD2 4.03Å; A480-F482 HydrophobicContact CB-CE2 3.58Å; A480-F482 HydrophobicContact CB-CZ 3.73Å; F482-L484 HydrophobicContact CB-CG 4.45Å; F482-L484 PolarHBondContact O-N 2.92Å; F482-L561 HydrophobicContact CD1-CB 4.13Å; F482-L561 HydrophobicContact CD1-CD2 3.81Å; F482-L561 HydrophobicContact CD1-CG 4.4Å; F482-L561 HydrophobicContact CE1-CB 3.8Å; F482-L561 HydrophobicContact CE1-CD2 4.12Å; F482-L561 WeakPolarHBondContact CE1-O 3.39Å; F482-L561 HydrophobicContact CE2-CB 4.21Å; F482-L561 HydrophobicContact CG-CB 4.49Å; F482-L561 HydrophobicContact CG-CD1 4.46Å; F482-L561 HydrophobicContact CG-CD2 4.4Å; F482-L561 HydrophobicContact CZ-CB 3.85Å; F482-L561 WeakPolarHBondContact CZ-O 3.22Å; F482-L562 HydrophobicContact CE2-CB 4.11Å; F482-L562 HydrophobicContact CE2-CD2 4.4Å; F482-L562 HydrophobicContact CZ-CB 4.03Å; F482-S659 WeakPolarHBondContact CE1-OG 3.41Å; F482-A660 HydrophobicContact CD1-CB 4.05Å; F482-A660 HydrophobicContact CE1-CB 3.57Å; F482-A660 HydrophobicContact CZ-CB 3.91Å
483	N	64.9	Low	68.7	Low	95 Å²	95	47.4 Å²	47.4	51%	0.508	26%	0.264	S	S	.	.			trans	-86.3	93.9	175.1	-83.4	-22.3	0	0	0	110.6
484	L	66.5	Low	69.5	Low	58 Å²	58	51.1 Å²	51.1	30%	0.304	28%	0.283	S	S	.	.			trans	-97.1	142.7	176.8	-60.1	172.3	0	0	0	111	L450 F482 L490 L561	L450-L484 HydrophobicContact CD1-CD1 4.46Å; F482-L484 HydrophobicContact CB-CG 4.45Å; F482-L484 PolarHBondContact O-N 2.92Å; L484-L490 HydrophobicContact CD1-CD1 3.94Å; L484-L490 HydrophobicContact CD1-CD2 4.43Å; L484-L490 HydrophobicContact CD2-CD2 3.99Å; L484-L561 HydrophobicContact CD2-CD1 4.21Å
485	T	61.1	Low	69.5	Low	64 Å²	64	49.9 Å²	49.9	39%	0.393	28%	0.275	S	S	.	.			trans	-113.7	155.3	179.5	53.5	0	0	0	0	111.6	G487 D488	T485-G487 PolarHBondContact O-N 2.64Å; T485-D488 WeakPolarHBondContact CA-OD2 3.37Å; T485-D488 PolarHBondContact N-OD2 2.63Å; T485-D488 WeakPolarHBondContact O-CB 3.36Å; T485-D488 PolarHBondContact O-N 3.17Å; T485-D488 VanDerWaalsContact O-N 3.11Å; T485-D488 PolarHBondContact OG1-OD2 3.07Å
486	K	53.1	Low	69.8	Low	209 Å²	209	55.5 Å²	55.5	91%	0.909	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	123.3	176.8	-176.9	-177	177.7	-175.5	0	109.5
487	G	64	Low	70.1	Confident	71 Å²	71	57.2 Å²	57.2	73%	0.732	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.1	-11.4	-177.7	0	0	0	0	0	114	T485 Q489	T485-G487 PolarHBondContact O-N 2.64Å; G487-Q489 PolarHBondContact O-N 2.02Å
488	D	69.5	Low	69.8	Low	43 Å²	43	57.6 Å²	57.6	23%	0.23	32%	0.315	C	S	.	.			trans	-65.7	124	172.9	-72.4	-33.8	0	0	0	111.3	T485 R549	T485-D488 WeakPolarHBondContact CA-OD2 3.37Å; T485-D488 PolarHBondContact N-OD2 2.63Å; T485-D488 WeakPolarHBondContact O-CB 3.36Å; T485-D488 PolarHBondContact O-N 3.17Å; T485-D488 VanDerWaalsContact O-N 3.11Å; T485-D488 PolarHBondContact OG1-OD2 3.07Å; D488-R549 VanDerWaalsContact CG-CZ 3.42Å; D488-R549 IonicContact OD1-CZ 2.94Å; D488-R549 IonicContact OD1-NE 3.9Å; D488-R549 PolarHBondContact OD1-NE 2.7Å; D488-R549 IonicContact OD1-NH2 2.93Å; D488-R549 PolarHBondContact OD1-NH2 2.74Å; D488-R549 IonicContact OD2-CZ 3.35Å; D488-R549 VanDerWaalsContact OD2-CZ 3.25Å; D488-R549 IonicContact OD2-NE 3.92Å; D488-R549 PolarHBondContact OD2-NE 2.77Å; D488-R549 IonicContact OD2-NH2 2.91Å; D488-R549 PolarHBondContact OD2-NH2 3.22Å
489	Q	72.5	Confident	69.6	Low	101 Å²	101	65.4 Å²	65.4	47%	0.472	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128	172.9	-69.1	-162.7	-16.5	0	0	109.5	G487 L550	G487-Q489 PolarHBondContact O-N 2.02Å; Q489-L550 HydrophobicContact CB-CB 3.91Å; Q489-L550 HydrophobicContact CB-CD1 4.21Å; Q489-L550 PolarHBondContact O-N 3.22Å
490	L	77.9	Confident	69.3	Low	50 Å²	50	66 Å²	66	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	175.7	-64.1	176.6	0	0	0	110	L484 I492 A548 L561 I678	L484-L490 HydrophobicContact CD1-CD1 3.94Å; L484-L490 HydrophobicContact CD1-CD2 4.43Å; L484-L490 HydrophobicContact CD2-CD2 3.99Å; L490-I492 HydrophobicContact CB-CG1 4.43Å; L490-A548 CarbonylContact C-O 3.58Å; L490-A548 WeakPolarHBondContact CA-O 3.46Å; L490-L561 HydrophobicContact CD2-CD1 3.83Å; L490-I678 HydrophobicContact CD1-CD1 4.02Å
491	W	73.3	Confident	69	Low	65 Å²	65	69 Å²	69	25%	0.246	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	166.9	-170.9	81.7	0	0	0	109.2	A493 F546 A548 L550 M557 L620 F629	W491-A493 HydrophobicContact CH2-CB 3.61Å; W491-A493 HydrophobicContact CZ2-CB 4.22Å; W491-A493 HydrophobicContact CZ3-CB 3.82Å; W491-F546 HydrophobicContact CZ3-CB 4.17Å; W491-A548 PolarHBondContact N-O 2.86Å; W491-A548 PolarHBondContact O-N 2.85Å; W491-L550 HydrophobicContact CB-CD1 4.05Å; W491-L550 HydrophobicContact CB-CD2 3.83Å; W491-L550 HydrophobicContact CB-CG 3.87Å; W491-L550 HydrophobicContact CG-CD2 4.49Å; W491-M557 HydrophobicContact CE3-CE 4.19Å; W491-M557 HydrophobicContact CZ3-CE 4.49Å; W491-L620 HydrophobicContact CD2-CD2 4.48Å; W491-L620 HydrophobicContact CG-CD2 4.41Å; W491-F629 AromaticContact CH2-CD2 3.98Å; W491-F629 HydrophobicContact CH2-CD2 3.98Å; W491-F629 AromaticContact CH2-CE2 3.44Å; W491-F629 HydrophobicContact CH2-CE2 3.44Å; W491-F629 VanDerWaalsContact CH2-CE2 3.44Å; W491-F629 AromaticContact CH2-CZ 3.88Å; W491-F629 HydrophobicContact CH2-CZ 3.88Å; W491-F629 HydrophobicContact CZ2-CD2 4.47Å; W491-F629 HydrophobicContact CZ2-CE2 4.01Å; W491-F629 HydrophobicContact CZ3-CE2 4.38Å; W491-F629 HydrophobicContact CZ3-CZ 4.41Å
492	I	80.4	Confident	68.7	Low	72 Å²	72	68.5 Å²	68.5	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	-174.9	-62	161.3	0	0	0	108.2	L490 I494 F546 L676 I678	L490-I492 HydrophobicContact CB-CG1 4.43Å; I492-I494 HydrophobicContact CG2-CD1 4.5Å; I492-I494 HydrophobicContact CG2-CG1 3.97Å; I492-F546 WeakPolarHBondContact CA-O 2.85Å; I492-L676 HydrophobicContact CB-CD2 4.29Å; I492-L676 HydrophobicContact CD1-CD2 3.75Å; I492-L676 HydrophobicContact CG1-CD2 3.76Å; I492-L676 HydrophobicContact CG2-CD2 3.52Å; I492-I678 HydrophobicContact CD1-CD1 3.86Å
493	A	72.6	Confident	68.2	Low	26 Å²	26	74.2 Å²	74.2	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.3	168.3	0	0	0	0	0	108.8	W491 T545 F546	W491-A493 HydrophobicContact CH2-CB 3.61Å; W491-A493 HydrophobicContact CZ2-CB 4.22Å; W491-A493 HydrophobicContact CZ3-CB 3.82Å; A493-T545 CarbonylContact O-C 3.48Å; A493-T545 VanDerWaalsContact O-CA 3.25Å; A493-T545 WeakPolarHBondContact O-CA 3.27Å; A493-F546 HydrophobicContact CB-CB 4.34Å; A493-F546 HydrophobicContact CB-CD2 4.26Å; A493-F546 PolarHBondContact N-O 2.82Å; A493-F546 PolarHBondContact O-N 3.07Å
494	I	77.3	Confident	67.2	Low	91 Å²	91	74.4 Å²	74.4	47%	0.467	40%	0.4	S	S	.	.			trans	-106.1	130.4	-178.2	-58.8	-177.1	0	0	0	108.9	I492 T545 G674	I492-I494 HydrophobicContact CG2-CD1 4.5Å; I492-I494 HydrophobicContact CG2-CG1 3.97Å; I494-T545 HydrophobicContact CG1-CG2 4.46Å; I494-G674 WeakPolarHBondContact CG2-O 3.48Å
495	G	70.4	Confident	65.8	Low	3 Å²	3	76.1 Å²	76.1	3%	0.031	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-67.7	139.1	179.6	0	0	0	0	0	113.1	A455 G543 A544 T545 G674	A455-G495 WeakPolarHBondContact CB-O 3.36Å; G495-G543 WeakPolarHBondContact CA-O 3.09Å; G495-A544 VanDerWaalsContact CA-O 3.29Å; G495-A544 WeakPolarHBondContact CA-O 3.49Å; G495-A544 PolarHBondContact N-O 3.11Å; G495-A544 VanDerWaalsContact N-O 3.17Å; G495-T545 PolarHBondContact N-OG1 3.36Å; G495-T545 VanDerWaalsContact N-OG1 3.15Å; G495-G674 WeakPolarHBondContact O-CA 3.43Å; G495-G674 PolarHBondContact O-N 2.9Å
496	Q	73.5	Confident	64.6	Low	117 Å²	117	79.5 Å²	79.5	55%	0.547	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-91.4	148.4	169.4	70.7	-82.6	17.9	0	0	112.2	A455 G543	A455-Q496 WeakPolarHBondContact CB-O 3.48Å; Q496-G543 PolarHBondContact O-N 2.74Å
497	T	75.5	Confident	63.6	Low	48 Å²	48	74.8 Å²	74.8	29%	0.294	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61	141.5	171.6	-64.9	0	0	0	0	111.2	S456 R672 S673	S456-T497 CarbonylContact O-C 3.57Å; S456-T497 VanDerWaalsContact O-CA 3.3Å; S456-T497 WeakPolarHBondContact O-CA 3.34Å; S456-T497 WeakPolarHBondContact OG-CG2 3.36Å; T497-R672 PolarHBondContact OG1-O 3.37Å; T497-S673 WeakPolarHBondContact OG1-CA 3.13Å; T497-S673 PolarHBondContact OG1-N 3.47Å; T497-S673 PolarHBondContact OG1-OG 3.27Å
498	G	67.1	Low	62.2	Low	9 Å²	9	75.9 Å²	75.9	9%	0.093	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-59.8	144	174.5	0	0	0	0	0	112.4	S456 A458 G540 G541	S456-G498 PolarHBondContact O-N 2.73Å; A458-G498 VanDerWaalsContact CB-C 3.43Å; A458-G498 WeakPolarHBondContact CB-O 3.34Å; G498-G540 WeakPolarHBondContact CA-O 3.5Å; G498-G541 VanDerWaalsContact CA-O 3.24Å; G498-G541 WeakPolarHBondContact CA-O 3.14Å
499	Q	66.7	Low	60.4	Low	163 Å²	163	86.4 Å²	86.4	76%	0.762	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-85.9	138.7	179.8	-67.6	-176.3	-5	0	0	111.7	A458 G540	A458-Q499 WeakPolarHBondContact CB-O 3.11Å; Q499-G540 PolarHBondContact O-N 2.84Å
500	N	66.3	Low	58.5	Low	31 Å²	31	84.7 Å²	84.7	17%	0.166	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-100	123.1	172.7	176.8	1.5	0	0	0	109.3	A458 K459 C502 Q503	A458-N500 HydrophobicContact CB-CB 4.01Å; K459-N500 PolarHBondContact O-ND2 3.22Å; N500-C502 PolarHBondContact O-N 3.05Å; N500-C502 VanDerWaalsContact O-N 3.07Å; N500-C502 VanDerWaalsContact OD1-CB 3.26Å; N500-C502 WeakPolarHBondContact OD1-CB 3.32Å; N500-C502 PolarHBondContact OD1-N 3.06Å; N500-Q503 HydrophobicContact CB-CB 4.24Å; N500-Q503 PolarHBondContact O-N 2.95Å; N500-Q503 VanDerWaalsContact O-N 3.13Å
501	P	60.5	Low	56.4	Low	62 Å²	62	89.9 Å²	89.9	40%	0.403	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.6	176	24.7	-34.2	0	0	0	114.2	L460 P537 A538	L460-P501 HydrophobicContact CD2-CG 4Å; P501-P537 HydrophobicContact CG-CB 4.06Å; P501-A538 WeakPolarHBondContact CD-O 3.37Å
502	C	60.3	Low	54.4	Low	30 Å²	30	94.9 Å²	94.9	20%	0.203	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0	179.7	-60.3	0	0	0	0	114.8	N500 T504 C519	N500-C502 PolarHBondContact O-N 3.05Å; N500-C502 VanDerWaalsContact O-N 3.07Å; N500-C502 VanDerWaalsContact OD1-CB 3.26Å; N500-C502 WeakPolarHBondContact OD1-CB 3.32Å; N500-C502 PolarHBondContact OD1-N 3.06Å; C502-T504 PolarHBondContact O-N 2.66Å; C502-C519 WeakPolarHBondContact CA-SG 3.39Å; C502-C519 HydrophobicContact CB-CB 3.41Å; C502-C519 VanDerWaalsContact CB-CB 3.41Å; C502-C519 WeakPolarHBondContact CB-SG 3.29Å; C502-C519 WeakPolarHBondContact SG-CB 3.31Å; C502-C519 CovalentContact SG-SG 2.03Å; C502-C519 PolarHBondContact SG-SG 2.83Å
503	Q	58	Low	52.2	Low	150 Å²	150	97 Å²	97	70%	0.701	55%	0.554	S	S	*	*			trans	-89.6	105.7	179.9	-150.6	168.1	15.2	0	0	109.7	N500 A505	N500-Q503 HydrophobicContact CB-CB 4.24Å; N500-Q503 PolarHBondContact O-N 2.95Å; N500-Q503 VanDerWaalsContact O-N 3.13Å; Q503-A505 PolarHBondContact O-N 3.16Å
504	T	44.6	Very low	50.5	Low	99 Å²	99	101.3 Å²	101.3	61%	0.607	58%	0.577	S	S	*	*			trans	-64.9	129.5	175.3	26.5	0	0	0	0	110.3	C502 T506	C502-T504 PolarHBondContact O-N 2.66Å; T504-T506 VanDerWaalsContact C-N 3.32Å; T504-T506 PolarHBondContact O-N 2.99Å
505	A	38.1	Very low	48.6	Very low	95 Å²	95	101.8 Å²	101.8	79%	0.785	59%	0.586	S	S	*	*			trans	-65.6	88.9	174.1	0	0	0	0	0	110.1	Q503 S507	Q503-A505 PolarHBondContact O-N 3.16Å; A505-S507 PolarHBondContact O-N 3.05Å
506	T	34.8	Very low	47.5	Very low	135 Å²	135	106.1 Å²	106.1	83%	0.828	61%	0.613	S	S	*	*			trans	-74.4	72.9	170.4	49.3	0	0	0	0	109.6	T504	T504-T506 VanDerWaalsContact C-N 3.32Å; T504-T506 PolarHBondContact O-N 2.99Å
507	S	32.8	Very low	46.1	Very low	110 Å²	110	106.6 Å²	106.6	77%	0.769	62%	0.623	S	S	*	*			trans	174.1	75.6	161	168.4	0	0	0	0	111.1	A505	A505-S507 PolarHBondContact O-N 3.05Å
508	S	33.3	Very low	44.8	Very low	94 Å²	94	104.9 Å²	104.9	66%	0.657	62%	0.615	S	S	*	*			trans	-166.1	112.6	142.9	36.4	0	0	0	0	109	G510	S508-G510 PolarHBondContact O-N 3.41Å; S508-G510 VanDerWaalsContact O-N 3.15Å
509	R	33	Very low	44	Very low	264 Å²	264	107 Å²	107	100%	0.996	63%	0.628	S	S	*	*	S	Bend	trans	-64.3	109.9	161.9	-75.5	179.5	176.3	173.9	-1.5	106.5
510	G	32.3	Very low	43.3	Very low	64 Å²	64	102.2 Å²	102.2	66%	0.66	61%	0.612	S	S	*	*	S	Bend	trans	113.7	69.9	168.6	0	0	0	0	0	115.1	S508	S508-G510 PolarHBondContact O-N 3.41Å; S508-G510 VanDerWaalsContact O-N 3.15Å
511	L	33.4	Very low	42.7	Very low	159 Å²	159	105.9 Å²	105.9	83%	0.832	63%	0.632	S	S	*	*	S	Bend	trans	-171.2	143.8	133.2	-124.5	80.5	0	0	0	107.2	V513	L511-V513 PolarHBondContact O-N 3.02Å
512	N	32	Very low	42.2	Very low	170 Å²	170	105.9 Å²	105.9	91%	0.909	64%	0.637	S	S	*	*			trans	-59.6	94.1	179	-73.5	-31.4	0	0	0	111	V514	N512-V514 PolarHBondContact O-N 2.92Å
513	V	34.7	Very low	41.8	Very low	116 Å²	116	107.5 Å²	107.5	70%	0.703	64%	0.641	S	S	*	*			trans	-80.2	106.4	171	-178.5	0	0	0	0	107.4	L511	L511-V513 PolarHBondContact O-N 3.02Å
514	V	35.4	Very low	41.5	Very low	117 Å²	117	101.3 Å²	101.3	71%	0.709	61%	0.613	S	S	*	*			trans	-57.6	126	167.8	179.2	0	0	0	0	107.5	N512 T516	N512-V514 PolarHBondContact O-N 2.92Å; V514-T516 PolarHBondContact O-N 2.94Å
515	P	38.7	Very low	41.8	Very low	101 Å²	101	100.4 Å²	100.4	66%	0.656	61%	0.61	S	S	*	*			trans	-62.8	123.6	173.9	11.8	-6.6	0	0	0	107.4	V517	P515-V517 VanDerWaalsContact C-N 3.35Å; P515-V517 PolarHBondContact O-N 3.46Å
516	T	45.9	Very low	42.3	Very low	95 Å²	95	104.7 Å²	104.7	58%	0.583	61%	0.611	S	S	*	*			trans	-60.4	100.7	171.7	23.8	0	0	0	0	108.1	V514 G518	V514-T516 PolarHBondContact O-N 2.94Å; T516-G518 PolarHBondContact O-N 2.77Å
517	V	44.4	Very low	43	Very low	127 Å²	127	101.4 Å²	101.4	77%	0.77	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	98.6	172.1	-179.4	0	0	0	0	106.6	P515 F523	P515-V517 VanDerWaalsContact C-N 3.35Å; P515-V517 PolarHBondContact O-N 3.46Å; V517-F523 HydrophobicContact CG1-CE2 3.95Å; V517-F523 HydrophobicContact CG1-CZ 4.3Å
518	G	49.3	Very low	43.6	Very low	12 Å²	12	100.4 Å²	100.4	12%	0.124	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	161.8	1.2	173.9	0	0	0	0	0	119.4	T516	T516-G518 PolarHBondContact O-N 2.77Å
519	C	50.4	Low	44.2	Very low	54 Å²	54	99.8 Å²	99.8	37%	0.365	58%	0.579	S	S	.	*			trans	-115.4	43.9	-167.7	-73.2	0	0	0	0	114.4	C502	C502-C519 WeakPolarHBondContact CA-SG 3.39Å; C502-C519 HydrophobicContact CB-CB 3.41Å; C502-C519 VanDerWaalsContact CB-CB 3.41Å; C502-C519 WeakPolarHBondContact CB-SG 3.29Å; C502-C519 WeakPolarHBondContact SG-CB 3.31Å; C502-C519 CovalentContact SG-SG 2.03Å; C502-C519 PolarHBondContact SG-SG 2.83Å
520	S	52	Low	44.8	Very low	62 Å²	62	91.9 Å²	91.9	43%	0.434	56%	0.564	S	S	.	*	S	Bend	trans	-122.6	147.1	168.1	66.1	0	0	0	0	110	A522 F523 L524	S520-A522 PolarHBondContact O-N 2.81Å; S520-A522 VanDerWaalsContact O-N 3.14Å; S520-F523 PolarHBondContact O-N 3.44Å; S520-F523 WeakPolarHBondContact OG-CB 3.38Å; S520-F523 PolarHBondContact OG-N 3.26Å; S520-L524 PolarHBondContact O-N 2.93Å
521	D	52.8	Low	45.5	Very low	107 Å²	107	91.4 Å²	91.4	57%	0.572	55%	0.546	S	S	*	.	H	α-helix	trans	-54.8	-33.9	178.4	-69.2	-26.4	0	0	0	111.9	V461 S525	V461-D521 VanDerWaalsContact CG1-OD1 3.26Å; V461-D521 WeakPolarHBondContact CG1-OD1 3.5Å; V461-D521 WeakPolarHBondContact CG2-OD1 3.43Å; D521-S525 VanDerWaalsContact O-CB 3.31Å; D521-S525 WeakPolarHBondContact O-CB 3.43Å; D521-S525 PolarHBondContact O-N 2.97Å; D521-S525 VanDerWaalsContact O-N 3.08Å; D521-S525 PolarHBondContact O-OG 3.39Å
522	A	50.3	Low	46	Very low	63 Å²	63	86.1 Å²	86.1	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-29	176.3	0	0	0	0	0	113.8	S520 S525 K526	S520-A522 PolarHBondContact O-N 2.81Å; S520-A522 VanDerWaalsContact O-N 3.14Å; A522-S525 WeakPolarHBondContact CA-OG 3.37Å; A522-S525 PolarHBondContact O-OG 3.36Å; A522-K526 WeakPolarHBondContact O-CB 3.32Å; A522-K526 WeakPolarHBondContact O-CG 2.9Å; A522-K526 PolarHBondContact O-N 2.79Å
523	F	51.7	Low	46.7	Very low	64 Å²	64	82 Å²	82	28%	0.281	51%	0.506	S	S	.	.	H	α-helix	trans	-81.4	-44.7	176.9	-174.4	-83.3	0	0	0	111.2	V517 S520 S525 K526 Q527	V517-F523 HydrophobicContact CG1-CE2 3.95Å; V517-F523 HydrophobicContact CG1-CZ 4.3Å; S520-F523 PolarHBondContact O-N 3.44Å; S520-F523 WeakPolarHBondContact OG-CB 3.38Å; S520-F523 PolarHBondContact OG-N 3.26Å; F523-S525 VanDerWaalsContact C-N 3.33Å; F523-S525 PolarHBondContact O-N 3.17Å; F523-K526 PolarHBondContact O-N 3.14Å; F523-Q527 HydrophobicContact CE1-CB 4.4Å; F523-Q527 WeakPolarHBondContact O-CB 3.46Å; F523-Q527 PolarHBondContact O-N 2.99Å
524	L	50.9	Low	47.2	Very low	20 Å²	20	80.7 Å²	80.7	11%	0.105	49%	0.494	C	S	.	.	H	α-helix	trans	-63.2	-39.3	178.1	-70.1	170.5	0	0	0	111.7	S520 M528 P537 A572	S520-L524 PolarHBondContact O-N 2.93Å; L524-M528 WeakPolarHBondContact O-CE 2.83Å; L524-M528 WeakPolarHBondContact O-CG 2.92Å; L524-M528 PolarHBondContact O-N 2.89Å; L524-P537 HydrophobicContact CD2-CG 3.68Å; L524-A572 HydrophobicContact CD2-CB 3.93Å
525	S	51.8	Low	47.8	Very low	80 Å²	80	79.7 Å²	79.7	56%	0.559	49%	0.485	S	S	*	.	H	α-helix	trans	-70.9	-36.2	175.6	55.6	0	0	0	0	113.9	D521 A522 F523	D521-S525 VanDerWaalsContact O-CB 3.31Å; D521-S525 WeakPolarHBondContact O-CB 3.43Å; D521-S525 PolarHBondContact O-N 2.97Å; D521-S525 VanDerWaalsContact O-N 3.08Å; D521-S525 PolarHBondContact O-OG 3.39Å; A522-S525 WeakPolarHBondContact CA-OG 3.37Å; A522-S525 PolarHBondContact O-OG 3.36Å; F523-S525 VanDerWaalsContact C-N 3.33Å; F523-S525 PolarHBondContact O-N 3.17Å
526	K	48.5	Very low	48.4	Very low	185 Å²	185	75.5 Å²	75.5	80%	0.804	46%	0.458	S	S	*	.	H	α-helix	trans	-76.7	-30.7	179.4	-88.1	-176.6	172.8	-179.1	0	114.1	A522 F523	A522-K526 WeakPolarHBondContact O-CB 3.32Å; A522-K526 WeakPolarHBondContact O-CG 2.9Å; A522-K526 PolarHBondContact O-N 2.79Å; F523-K526 PolarHBondContact O-N 3.14Å
527	Q	48.9	Very low	48.7	Very low	66 Å²	66	73 Å²	73	31%	0.308	44%	0.443	S	S	.	.	H	α-helix	trans	-95.1	-9	-172.6	-132	-171.1	9.6	0	0	114.4	F523 G529 S530 L531	F523-Q527 HydrophobicContact CE1-CB 4.4Å; F523-Q527 WeakPolarHBondContact O-CB 3.46Å; F523-Q527 PolarHBondContact O-N 2.99Å; Q527-G529 PolarHBondContact O-N 3.44Å; Q527-S530 PolarHBondContact O-N 3.07Å; Q527-L531 HydrophobicContact CB-CD1 3.89Å; Q527-L531 VanDerWaalsContact CD-CD1 3.46Å; Q527-L531 HydrophobicContact CG-CD1 3.78Å; Q527-L531 HydrophobicContact CG-CG 4.04Å; Q527-L531 PolarHBondContact O-N 3.41Å; Q527-L531 VanDerWaalsContact O-N 3.15Å
528	M	45.9	Very low	49.4	Very low	88 Å²	88	68.3 Å²	68.3	43%	0.433	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	173.3	-92.7	-173.8	-122.6	0	0	114.2	L524 A572	L524-M528 WeakPolarHBondContact O-CE 2.83Å; L524-M528 WeakPolarHBondContact O-CG 2.92Å; L524-M528 PolarHBondContact O-N 2.89Å; M528-A572 HydrophobicContact CE-CB 4.37Å; M528-A572 WeakPolarHBondContact CE-O 3.46Å
529	G	45.1	Very low	49.9	Very low	81 Å²	81	67.8 Å²	67.8	84%	0.835	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.2	175.4	0	0	0	0	0	115.1	Q527	Q527-G529 PolarHBondContact O-N 3.44Å
530	S	47	Very low	50.5	Low	98 Å²	98	66 Å²	66	69%	0.685	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-14.9	-167	172.7	0	0	0	0	114.5	Q527	Q527-S530 PolarHBondContact O-N 3.07Å
531	L	46.1	Very low	51.2	Low	54 Å²	54	64 Å²	64	28%	0.283	39%	0.392	S	S	.	.	S	Bend	trans	-98	143.2	-179.6	-78.3	164.5	0	0	0	110.7	Q527 D535	Q527-L531 HydrophobicContact CB-CD1 3.89Å; Q527-L531 VanDerWaalsContact CD-CD1 3.46Å; Q527-L531 HydrophobicContact CG-CD1 3.78Å; Q527-L531 HydrophobicContact CG-CG 4.04Å; Q527-L531 PolarHBondContact O-N 3.41Å; Q527-L531 VanDerWaalsContact O-N 3.15Å; L531-D535 HydrophobicContact CB-CB 4.47Å; L531-D535 HydrophobicContact CD2-CB 3.77Å
532	S	44.9	Very low	51.9	Low	49 Å²	49	59 Å²	59	34%	0.343	37%	0.365	S	S	.	.			trans	-62.5	147.2	168.7	87.3	0	0	0	0	108.9	N534 D535	S532-N534 PolarHBondContact O-N 3.05Å; S532-N534 PolarHBondContact OG-N 2.81Å; S532-D535 PolarHBondContact O-N 3.3Å; S532-D535 PolarHBondContact OG-OD2 3.23Å
533	P	46.3	Very low	52.7	Low	84 Å²	84	56.8 Å²	56.8	55%	0.545	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-2.4	173.7	-25.8	34	0	0	0	115	Y571 F648	P533-Y571 PolarHBondContact O-OH 3.04Å; P533-F648 HydrophobicContact CB-CD1 4.31Å; P533-F648 HydrophobicContact CB-CE1 4.27Å
534	N	44.7	Very low	53.7	Low	87 Å²	87	54.1 Å²	54.1	47%	0.465	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-17.5	176.1	-63.3	-34.1	0	0	0	113.3	S532 R634	S532-N534 PolarHBondContact O-N 3.05Å; S532-N534 PolarHBondContact OG-N 2.81Å; N534-R634 PolarHBondContact O-NH1 3.19Å; N534-R634 PolarHBondContact O-NH2 2.93Å
535	D	48.2	Very low	54.8	Low	97 Å²	97	53.1 Å²	53.1	52%	0.519	33%	0.334	S	S	.	.	S	Bend	trans	-104.5	4.8	-168.6	-57.4	-45.3	0	0	0	114.1	L531 S532	L531-D535 HydrophobicContact CB-CB 4.47Å; L531-D535 HydrophobicContact CD2-CB 3.77Å; S532-D535 PolarHBondContact O-N 3.3Å; S532-D535 PolarHBondContact OG-OD2 3.23Å
536	V	51.4	Low	55.9	Low	13 Å²	13	50 Å²	50	8%	0.079	31%	0.31	C	S	.	.	S	Bend	trans	-84	133.2	-178.7	-170.7	0	0	0	0	110.2	Y571 A572	V536-Y571 HydrophobicContact CB-CE1 4.33Å; V536-Y571 HydrophobicContact CB-CE2 3.77Å; V536-Y571 VanDerWaalsContact CB-OH 3.23Å; V536-Y571 WeakPolarHBondContact CB-OH 3.21Å; V536-Y571 HydrophobicContact CG1-CE1 4.44Å; V536-Y571 HydrophobicContact CG1-CE2 4.17Å; V536-Y571 VanDerWaalsContact CG2-OH 3.29Å; V536-Y571 WeakPolarHBondContact CG2-OH 3.39Å; V536-A572 HydrophobicContact CG1-CB 3.41Å; V536-A572 VanDerWaalsContact CG1-CB 3.41Å
537	P	52.3	Low	57.3	Low	41 Å²	41	41.1 Å²	41.1	27%	0.266	27%	0.272	S	S	.	.			trans	-63	139.9	176.1	23.5	-31.4	0	0	0	111.6	L460 P501 L524	L460-P537 VanDerWaalsContact CD1-O 3.3Å; L460-P537 WeakPolarHBondContact CD1-O 3.11Å; L460-P537 HydrophobicContact CD2-CB 4.47Å; P501-P537 HydrophobicContact CG-CB 4.06Å; L524-P537 HydrophobicContact CD2-CG 3.68Å
538	A	58	Low	58.6	Low	29 Å²	29	38 Å²	38	24%	0.24	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-130.3	143.7	-179	0	0	0	0	0	110.6	P501 Q570 Y571	P501-A538 WeakPolarHBondContact CD-O 3.37Å; A538-Q570 WeakPolarHBondContact CA-O 3.49Å; A538-Y571 HydrophobicContact CB-CD2 3.78Å; A538-Y571 HydrophobicContact CB-CE2 4.36Å
539	G	59.9	Low	60	Low	1 Å²	1	36.9 Å²	36.9	1%	0.01	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-75.4	139.6	169.6	0	0	0	0	0	111.3	G569 Q570	G539-G569 WeakPolarHBondContact O-CA 3.45Å; G539-Q570 PolarHBondContact N-O 2.9Å
540	G	63.3	Low	61	Low	16 Å²	16	34 Å²	34	17%	0.165	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-65.2	150.7	173.3	0	0	0	0	0	112.5	G457 A458 G498 Q499	G457-G540 CarbonylContact C-O 3.59Å; G457-G540 WeakPolarHBondContact CA-O 3.35Å; A458-G540 PolarHBondContact N-O 2.82Å; G498-G540 WeakPolarHBondContact CA-O 3.5Å; Q499-G540 PolarHBondContact O-N 2.84Å
541	G	66.6	Low	61.8	Low	20 Å²	20	32 Å²	32	21%	0.206	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-74	160.1	171.6	0	0	0	0	0	112.1	G498	G498-G541 VanDerWaalsContact CA-O 3.24Å; G498-G541 WeakPolarHBondContact CA-O 3.14Å
542	G	67.7	Low	62.2	Low	2 Å²	2	39 Å²	39	2%	0.021	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-83.3	141.9	174.2	0	0	0	0	0	112	S456 G566 G567 G638	S456-G542 WeakPolarHBondContact O-CA 3.34Å; G542-G566 WeakPolarHBondContact O-CA 2.98Å; G542-G567 PolarHBondContact N-O 2.72Å; G542-G638 PolarHBondContact O-N 2.76Å
543	G	68.3	Low	62.9	Low	17 Å²	17	39.8 Å²	39.8	18%	0.175	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.5	149.6	174.8	0	0	0	0	0	113	A455 G495 Q496	A455-G543 WeakPolarHBondContact CB-O 3.35Å; A455-G543 PolarHBondContact N-O 2.76Å; G495-G543 WeakPolarHBondContact CA-O 3.09Å; Q496-G543 PolarHBondContact O-N 2.74Å
544	A	71.5	Confident	63.4	Low	8 Å²	8	36.9 Å²	36.9	7%	0.066	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-77.8	157.3	169.1	0	0	0	0	0	111.8	G495 F546 V563 A564 G638	G495-A544 VanDerWaalsContact CA-O 3.29Å; G495-A544 WeakPolarHBondContact CA-O 3.49Å; G495-A544 PolarHBondContact N-O 3.11Å; G495-A544 VanDerWaalsContact N-O 3.17Å; A544-F546 HydrophobicContact CB-CD2 4.15Å; A544-F546 HydrophobicContact CB-CE1 4.37Å; A544-F546 HydrophobicContact CB-CE2 3.35Å; A544-F546 HydrophobicContact CB-CZ 3.48Å; A544-F546 VanDerWaalsContact CB-CZ 3.48Å; A544-V563 HydrophobicContact CB-CG1 4.23Å; A544-A564 CarbonylContact C-O 3.34Å; A544-A564 VanDerWaalsContact CA-O 3.29Å; A544-A564 WeakPolarHBondContact CA-O 3.34Å; A544-A564 WeakPolarHBondContact CB-O 3.34Å; A544-G638 VanDerWaalsContact CB-C 3.47Å; A544-G638 WeakPolarHBondContact CB-O 3.26Å
545	T	73.4	Confident	64	Low	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.3	170.7	-63.5	0	0	0	0	109.7	A452 A453 A493 I494 G495 V563 A564 L676	A452-T545 HydrophobicContact CB-CG2 3.9Å; A453-T545 VanDerWaalsContact O-CB 3.25Å; A453-T545 WeakPolarHBondContact O-CB 3.42Å; A453-T545 PolarHBondContact O-OG1 3.06Å; A493-T545 CarbonylContact O-C 3.48Å; A493-T545 VanDerWaalsContact O-CA 3.25Å; A493-T545 WeakPolarHBondContact O-CA 3.27Å; I494-T545 HydrophobicContact CG1-CG2 4.46Å; G495-T545 PolarHBondContact N-OG1 3.36Å; G495-T545 VanDerWaalsContact N-OG1 3.15Å; T545-V563 CarbonylContact O-C 3.53Å; T545-V563 WeakPolarHBondContact O-CA 3.3Å; T545-A564 PolarHBondContact N-O 3.44Å; T545-A564 PolarHBondContact O-N 2.72Å; T545-L676 HydrophobicContact CG2-CB 4.44Å
546	F	75.8	Confident	64.3	Low	13 Å²	13	37.8 Å²	37.8	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.6	-174.5	-57.8	-97.7	0	0	0	110.9	W491 I492 A493 A544 V563	W491-F546 HydrophobicContact CZ3-CB 4.17Å; I492-F546 WeakPolarHBondContact CA-O 2.85Å; A493-F546 HydrophobicContact CB-CB 4.34Å; A493-F546 HydrophobicContact CB-CD2 4.26Å; A493-F546 PolarHBondContact N-O 2.82Å; A493-F546 PolarHBondContact O-N 3.07Å; A544-F546 HydrophobicContact CB-CD2 4.15Å; A544-F546 HydrophobicContact CB-CE1 4.37Å; A544-F546 HydrophobicContact CB-CE2 3.35Å; A544-F546 HydrophobicContact CB-CZ 3.48Å; A544-F546 VanDerWaalsContact CB-CZ 3.48Å; F546-V563 HydrophobicContact CD1-CB 4.18Å; F546-V563 HydrophobicContact CD1-CG1 3.65Å; F546-V563 HydrophobicContact CD1-CG2 3.53Å; F546-V563 HydrophobicContact CE1-CB 4.35Å; F546-V563 HydrophobicContact CE1-CG1 3.46Å; F546-V563 VanDerWaalsContact CE1-CG1 3.46Å; F546-V563 HydrophobicContact CE1-CG2 3.93Å; F546-V563 HydrophobicContact CG-CG1 4.39Å; F546-V563 HydrophobicContact CZ-CG1 4.09Å
547	V	78.4	Confident	64.6	Low	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.4	171.8	-170	0	0	0	0	108.5	L450 L561 L562 L676	L450-V547 HydrophobicContact CD2-CG1 4.45Å; L450-V547 HydrophobicContact CD2-CG2 4.45Å; V547-L561 HydrophobicContact CG1-CD1 4.2Å; V547-L561 WeakPolarHBondContact O-CA 3.2Å; V547-L561 WeakPolarHBondContact O-CB 3.03Å; V547-L561 PolarHBondContact O-N 3.45Å; V547-L562 HydrophobicContact CB-CB 4.28Å; V547-L562 HydrophobicContact CB-CD2 4.19Å; V547-L562 HydrophobicContact CB-CG 4.25Å; V547-L562 HydrophobicContact CG2-CD2 3.79Å; V547-L562 HydrophobicContact CG2-CG 4.04Å; V547-L562 PolarHBondContact N-O 2.87Å; V547-L562 PolarHBondContact O-N 2.93Å; V547-L562 VanDerWaalsContact O-N 3.08Å; V547-L676 HydrophobicContact CG2-CD1 3.57Å; V547-L676 HydrophobicContact CG2-CD2 3.64Å; V547-L676 HydrophobicContact CG2-CG 4.25Å
548	A	76.8	Confident	65.3	Low	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154	177.9	0	0	0	0	0	111.3	L490 W491 M557 E559 L560	L490-A548 CarbonylContact C-O 3.58Å; L490-A548 WeakPolarHBondContact CA-O 3.46Å; W491-A548 PolarHBondContact N-O 2.86Å; W491-A548 PolarHBondContact O-N 2.85Å; A548-M557 HydrophobicContact CB-CE 3.72Å; A548-M557 HydrophobicContact CB-CG 3.72Å; A548-M557 HydrophobicContact CB-SD 3.62Å; A548-E559 CarbonylContact C-O 3.54Å; A548-E559 WeakPolarHBondContact CA-O 3.32Å; A548-L560 HydrophobicContact CB-CD1 4.07Å
549	R	73.5	Confident	65.9	Low	64 Å²	64	44.4 Å²	44.4	24%	0.242	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.4	170.9	-165.9	173.7	179.7	-178.6	-1.1	109.3	D488 S558 E559	D488-R549 VanDerWaalsContact CG-CZ 3.42Å; D488-R549 IonicContact OD1-CZ 2.94Å; D488-R549 IonicContact OD1-NE 3.9Å; D488-R549 PolarHBondContact OD1-NE 2.7Å; D488-R549 IonicContact OD1-NH2 2.93Å; D488-R549 PolarHBondContact OD1-NH2 2.74Å; D488-R549 IonicContact OD2-CZ 3.35Å; D488-R549 VanDerWaalsContact OD2-CZ 3.25Å; D488-R549 IonicContact OD2-NE 3.92Å; D488-R549 PolarHBondContact OD2-NE 2.77Å; D488-R549 IonicContact OD2-NH2 2.91Å; D488-R549 PolarHBondContact OD2-NH2 3.22Å; R549-S558 PolarHBondContact O-N 3.17Å; R549-S558 PolarHBondContact O-OG 2.84Å; R549-S558 VanDerWaalsContact O-OG 3.08Å; R549-E559 HydrophobicContact CB-CB 4.36Å; R549-E559 PolarHBondContact N-O 3.12Å; R549-E559 PolarHBondContact O-N 2.83Å
550	L	66.4	Low	66.4	Low	21 Å²	21	45.4 Å²	45.4	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	148.5	174.8	-64	177.2	0	0	0	109.8	Q489 W491 L620	Q489-L550 HydrophobicContact CB-CB 3.91Å; Q489-L550 HydrophobicContact CB-CD1 4.21Å; Q489-L550 PolarHBondContact O-N 3.22Å; W491-L550 HydrophobicContact CB-CD1 4.05Å; W491-L550 HydrophobicContact CB-CD2 3.83Å; W491-L550 HydrophobicContact CB-CG 3.87Å; W491-L550 HydrophobicContact CG-CD2 4.49Å; L550-L620 HydrophobicContact CD2-CD1 3.2Å
551	N	63.9	Low	67.1	Low	57 Å²	57	44.9 Å²	44.9	31%	0.305	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-65.5	162.3	169.9	-163.2	11	0	0	0	111	T553 G554 Y556	N551-T553 PolarHBondContact O-N 2.87Å; N551-G554 PolarHBondContact O-N 3.01Å; N551-Y556 PolarHBondContact N-O 3.04Å
552	Y	55.9	Low	67.4	Low	199 Å²	199	43.9 Å²	43.9	78%	0.78	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.9	-178	58.4	-95	0	0	0	114.3
553	T	58.5	Low	67.8	Low	67 Å²	67	43.8 Å²	43.8	41%	0.411	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9	175.4	61.3	0	0	0	0	114.2	N551 Q555	N551-T553 PolarHBondContact O-N 2.87Å; T553-Q555 PolarHBondContact O-N 3.19Å; T553-Q555 VanDerWaalsContact O-N 3.11Å
554	G	56.3	Low	68.1	Low	23 Å²	23	43 Å²	43	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	67.8	-0.8	-173.8	0	0	0	0	0	115	N551	N551-G554 PolarHBondContact O-N 3.01Å
555	Q	57.2	Low	68.2	Low	105 Å²	105	42.7 Å²	42.7	49%	0.491	21%	0.209	S	C	.	.	S	Bend	trans	-91	-22	-171.2	-74.4	-177.9	-14.1	0	0	114.9	T553 L620	T553-Q555 PolarHBondContact O-N 3.19Å; T553-Q555 VanDerWaalsContact O-N 3.11Å; Q555-L620 PolarHBondContact O-N 3.41Å; Q555-L620 VanDerWaalsContact O-N 3.14Å
556	Y	55	Low	68	Low	97 Å²	97	42.8 Å²	42.8	38%	0.38	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-137.1	142.1	-174.4	-62.7	-83.1	0	0	0	111.3	N551 S558 P619	N551-Y556 PolarHBondContact N-O 3.04Å; Y556-S558 PolarHBondContact O-N 3.24Å; Y556-P619 HydrophobicContact CE1-CB 3.89Å; Y556-P619 HydrophobicContact CE1-CG 4.02Å
557	M	57.4	Low	67.5	Low	71 Å²	71	42.2 Å²	42.2	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.8	170.8	-171.2	179.7	-63.8	0	0	109.2	W491 A548 L560	W491-M557 HydrophobicContact CE3-CE 4.19Å; W491-M557 HydrophobicContact CZ3-CE 4.49Å; A548-M557 HydrophobicContact CB-CE 3.72Å; A548-M557 HydrophobicContact CB-CG 3.72Å; A548-M557 HydrophobicContact CB-SD 3.62Å; M557-L560 HydrophobicContact SD-CB 4.41Å; M557-L560 HydrophobicContact SD-CD1 4.44Å
558	S	68.2	Low	66.9	Low	70 Å²	70	42.4 Å²	42.4	49%	0.49	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-42	178.5	65.5	0	0	0	0	112	R549 Y556	R549-S558 PolarHBondContact O-N 3.17Å; R549-S558 PolarHBondContact O-OG 2.84Å; R549-S558 VanDerWaalsContact O-OG 3.08Å; Y556-S558 PolarHBondContact O-N 3.24Å
559	E	69.7	Low	66	Low	82 Å²	82	42.7 Å²	42.7	38%	0.383	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	129.3	-176.6	-170.5	-173.8	167.3	0	0	110.2	A548 R549 L561 S659	A548-E559 CarbonylContact C-O 3.54Å; A548-E559 WeakPolarHBondContact CA-O 3.32Å; R549-E559 HydrophobicContact CB-CB 4.36Å; R549-E559 PolarHBondContact N-O 3.12Å; R549-E559 PolarHBondContact O-N 2.83Å; E559-L561 HydrophobicContact CG-CD2 4.2Å; E559-S659 PolarHBondContact OE1-OG 2.94Å
560	L	70.8	Confident	65.4	Low	22 Å²	22	41.3 Å²	41.3	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.5	169.3	-178.5	64.8	0	0	0	108.5	A548 M557 V563 F640 F657	A548-L560 HydrophobicContact CB-CD1 4.07Å; M557-L560 HydrophobicContact SD-CB 4.41Å; M557-L560 HydrophobicContact SD-CD1 4.44Å; L560-V563 HydrophobicContact CD1-CG2 3.99Å; L560-V563 HydrophobicContact CD2-CG2 3.82Å; L560-V563 HydrophobicContact CG-CG2 4.15Å; L560-F640 HydrophobicContact CD2-CD2 3.9Å; L560-F640 HydrophobicContact CD2-CE2 4.09Å; L560-F657 HydrophobicContact CB-CE1 4.4Å; L560-F657 HydrophobicContact CD2-CD1 3.91Å; L560-F657 HydrophobicContact CD2-CE1 4.05Å; L560-F657 HydrophobicContact CG-CD1 4.16Å; L560-F657 HydrophobicContact CG-CE1 4.1Å
561	L	76.9	Confident	64.7	Low	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-50.1	-176.5	-59	179.6	0	0	0	110.8	F482 L484 L490 V547 E559 S658 S659	F482-L561 HydrophobicContact CD1-CB 4.13Å; F482-L561 HydrophobicContact CD1-CD2 3.81Å; F482-L561 HydrophobicContact CD1-CG 4.4Å; F482-L561 HydrophobicContact CE1-CB 3.8Å; F482-L561 HydrophobicContact CE1-CD2 4.12Å; F482-L561 WeakPolarHBondContact CE1-O 3.39Å; F482-L561 HydrophobicContact CE2-CB 4.21Å; F482-L561 HydrophobicContact CG-CB 4.49Å; F482-L561 HydrophobicContact CG-CD1 4.46Å; F482-L561 HydrophobicContact CG-CD2 4.4Å; F482-L561 HydrophobicContact CZ-CB 3.85Å; F482-L561 WeakPolarHBondContact CZ-O 3.22Å; L484-L561 HydrophobicContact CD2-CD1 4.21Å; L490-L561 HydrophobicContact CD2-CD1 3.83Å; V547-L561 HydrophobicContact CG1-CD1 4.2Å; V547-L561 WeakPolarHBondContact O-CA 3.2Å; V547-L561 WeakPolarHBondContact O-CB 3.03Å; V547-L561 PolarHBondContact O-N 3.45Å; E559-L561 HydrophobicContact CG-CD2 4.2Å; L561-S658 CarbonylContact O-C 3.43Å; L561-S658 VanDerWaalsContact O-CA 3.27Å; L561-S658 WeakPolarHBondContact O-CA 3.29Å; L561-S659 PolarHBondContact O-N 3.21Å
562	L	74.2	Confident	63.9	Low	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	136.8	-161.6	140.9	73.5	0	0	0	111.2	L450 A452 V478 F482 V547 F657 L676	L450-L562 HydrophobicContact CD2-CD2 3.46Å; L450-L562 VanDerWaalsContact CD2-CD2 3.46Å; A452-L562 HydrophobicContact CB-CD1 3.79Å; A452-L562 HydrophobicContact CB-CD2 3.81Å; A452-L562 HydrophobicContact CB-CG 3.97Å; V478-L562 HydrophobicContact CB-CD1 3.48Å; V478-L562 VanDerWaalsContact CB-CD1 3.48Å; V478-L562 HydrophobicContact CG1-CD1 3.46Å; V478-L562 VanDerWaalsContact CG1-CD1 3.46Å; V478-L562 HydrophobicContact CG2-CD1 4.27Å; F482-L562 HydrophobicContact CE2-CB 4.11Å; F482-L562 HydrophobicContact CE2-CD2 4.4Å; F482-L562 HydrophobicContact CZ-CB 4.03Å; V547-L562 HydrophobicContact CB-CB 4.28Å; V547-L562 HydrophobicContact CB-CD2 4.19Å; V547-L562 HydrophobicContact CB-CG 4.25Å; V547-L562 HydrophobicContact CG2-CD2 3.79Å; V547-L562 HydrophobicContact CG2-CG 4.04Å; V547-L562 PolarHBondContact N-O 2.87Å; V547-L562 PolarHBondContact O-N 2.93Å; V547-L562 VanDerWaalsContact O-N 3.08Å; L562-F657 CarbonylContact C-O 3.26Å; L562-F657 WeakPolarHBondContact CA-O 3.42Å; L562-L676 HydrophobicContact CD2-CD1 4.37Å
563	V	76.6	Confident	63.2	Low	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.9	172.4	-173.7	0	0	0	0	109.9	A544 T545 F546 L560 F640 S656 F657	A544-V563 HydrophobicContact CB-CG1 4.23Å; T545-V563 CarbonylContact O-C 3.53Å; T545-V563 WeakPolarHBondContact O-CA 3.3Å; F546-V563 HydrophobicContact CD1-CB 4.18Å; F546-V563 HydrophobicContact CD1-CG1 3.65Å; F546-V563 HydrophobicContact CD1-CG2 3.53Å; F546-V563 HydrophobicContact CE1-CB 4.35Å; F546-V563 HydrophobicContact CE1-CG1 3.46Å; F546-V563 VanDerWaalsContact CE1-CG1 3.46Å; F546-V563 HydrophobicContact CE1-CG2 3.93Å; F546-V563 HydrophobicContact CG-CG1 4.39Å; F546-V563 HydrophobicContact CZ-CG1 4.09Å; L560-V563 HydrophobicContact CD1-CG2 3.99Å; L560-V563 HydrophobicContact CD2-CG2 3.82Å; L560-V563 HydrophobicContact CG-CG2 4.15Å; V563-F640 HydrophobicContact CB-CB 4.25Å; V563-F640 HydrophobicContact CG1-CB 4.41Å; V563-F640 HydrophobicContact CG2-CB 4.37Å; V563-S656 CarbonylContact O-C 3.54Å; V563-S656 WeakPolarHBondContact O-CA 2.82Å; V563-S656 VanDerWaalsContact O-CB 3.3Å; V563-S656 WeakPolarHBondContact O-CB 3.45Å; V563-F657 HydrophobicContact CB-CB 4.22Å; V563-F657 HydrophobicContact CG2-CB 4.37Å; V563-F657 HydrophobicContact CG2-CD1 4.45Å; V563-F657 PolarHBondContact N-O 3.44Å; V563-F657 PolarHBondContact O-N 3.42Å
564	A	74.3	Confident	62.3	Low	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.4	170.9	0	0	0	0	0	109.9	A452 G454 V478 A544 T545	A452-A564 HydrophobicContact CB-CB 3.84Å; A452-A564 WeakPolarHBondContact O-CB 3.49Å; G454-A564 WeakPolarHBondContact CA-O 3.41Å; V478-A564 HydrophobicContact CB-CB 4.28Å; V478-A564 HydrophobicContact CG2-CB 3.73Å; A544-A564 CarbonylContact C-O 3.34Å; A544-A564 VanDerWaalsContact CA-O 3.29Å; A544-A564 WeakPolarHBondContact CA-O 3.34Å; A544-A564 WeakPolarHBondContact CB-O 3.34Å; T545-A564 PolarHBondContact N-O 3.44Å; T545-A564 PolarHBondContact O-N 2.72Å
565	A	72.7	Confident	61.2	Low	1 Å²	1	35 Å²	35	1%	0.008	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-72.2	143.2	-172.5	0	0	0	0	0	114	G454 G475 A476 G638 G654 S656	G454-A565 WeakPolarHBondContact CA-O 3.5Å; G475-A565 CarbonylContact C-O 3.57Å; G475-A565 WeakPolarHBondContact CA-O 3.38Å; A476-A565 HydrophobicContact CB-CB 4.17Å; A476-A565 PolarHBondContact N-O 2.84Å; A565-G638 CarbonylContact C-O 3.52Å; A565-G638 WeakPolarHBondContact CA-O 3.38Å; A565-G654 WeakPolarHBondContact CB-O 3.27Å; A565-S656 PolarHBondContact N-OG 2.92Å; A565-S656 VanDerWaalsContact N-OG 3.12Å
566	G	69.5	Low	60.2	Low	2 Å²	2	36.6 Å²	36.6	2%	0.021	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-81.1	157.2	172.4	0	0	0	0	0	113.4	A455 G542 G638 G653 G654	A455-G566 CarbonylContact O-C 3.59Å; A455-G566 WeakPolarHBondContact O-CA 2.84Å; G542-G566 WeakPolarHBondContact O-CA 2.98Å; G566-G638 PolarHBondContact N-O 2.89Å; G566-G653 WeakPolarHBondContact O-CA 3.21Å; G566-G654 PolarHBondContact O-N 2.75Å
567	G	66.1	Low	59.1	Low	1 Å²	1	37.3 Å²	37.3	1%	0.01	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-83.1	160.6	-179.3	0	0	0	0	0	114.1	A455 H473 G542	A455-G567 PolarHBondContact O-N 2.78Å; H473-G567 WeakPolarHBondContact O-CA 3.35Å; G542-G567 PolarHBondContact N-O 2.72Å
568	G	64	Low	57.9	Low	4 Å²	4	40.8 Å²	40.8	4%	0.041	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-79.4	147.3	-178.8	0	0	0	0	0	114	G472 H473	G472-G568 PolarHBondContact O-N 3.43Å; G472-G568 VanDerWaalsContact O-N 3.15Å; H473-G568 WeakPolarHBondContact CA-O 3.06Å; H473-G568 PolarHBondContact ND1-O 3.39Å
569	G	59	Low	56.2	Low	6 Å²	6	42.8 Å²	42.8	6%	0.062	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-83.5	154.1	174.4	0	0	0	0	0	113.2	G539	G539-G569 WeakPolarHBondContact O-CA 3.45Å
570	Q	60.8	Low	54.6	Low	36 Å²	36	40.2 Å²	40.2	17%	0.168	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-90.1	146.6	-177.6	-165.4	177.7	28.9	0	0	113	A458 L460 A538 G539	A458-Q570 PolarHBondContact O-N 2.98Å; A458-Q570 VanDerWaalsContact O-N 3.08Å; L460-Q570 WeakPolarHBondContact CD1-O 3.25Å; L460-Q570 HydrophobicContact CG-CB 4.38Å; A538-Q570 WeakPolarHBondContact CA-O 3.49Å; G539-Q570 PolarHBondContact N-O 2.9Å
571	Y	52	Low	53.2	Low	64 Å²	64	44.2 Å²	44.2	25%	0.251	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-120.4	145.7	174.7	-169.1	-110.9	0	0	0	111.1	P533 V536 A538 S573	P533-Y571 PolarHBondContact O-OH 3.04Å; V536-Y571 HydrophobicContact CB-CE1 4.33Å; V536-Y571 HydrophobicContact CB-CE2 3.77Å; V536-Y571 VanDerWaalsContact CB-OH 3.23Å; V536-Y571 WeakPolarHBondContact CB-OH 3.21Å; V536-Y571 HydrophobicContact CG1-CE1 4.44Å; V536-Y571 HydrophobicContact CG1-CE2 4.17Å; V536-Y571 VanDerWaalsContact CG2-OH 3.29Å; V536-Y571 WeakPolarHBondContact CG2-OH 3.39Å; A538-Y571 HydrophobicContact CB-CD2 3.78Å; A538-Y571 HydrophobicContact CB-CE2 4.36Å; Y571-S573 VanDerWaalsContact CE1-CB 3.47Å; Y571-S573 PolarHBondContact O-N 3.19Å
572	A	45.9	Very low	51.2	Low	18 Å²	18	45.5 Å²	45.5	15%	0.149	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.9	-172.2	0	0	0	0	0	114.4	L460 L524 M528 V536 G574	L460-A572 HydrophobicContact CD1-CB 4.08Å; L524-A572 HydrophobicContact CD2-CB 3.93Å; M528-A572 HydrophobicContact CE-CB 4.37Å; M528-A572 WeakPolarHBondContact CE-O 3.46Å; V536-A572 HydrophobicContact CG1-CB 3.41Å; V536-A572 VanDerWaalsContact CG1-CB 3.41Å; A572-G574 VanDerWaalsContact C-N 3.27Å; A572-G574 PolarHBondContact O-N 3.17Å; A572-G574 VanDerWaalsContact O-N 3.14Å
573	S	42	Very low	49	Very low	72 Å²	72	56.2 Å²	56.2	50%	0.503	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	33.6	-176.8	-172	0	0	0	0	115	Y571	Y571-S573 VanDerWaalsContact CE1-CB 3.47Å; Y571-S573 PolarHBondContact O-N 3.19Å
574	G	39.4	Very low	46.7	Very low	38 Å²	38	59.6 Å²	59.6	39%	0.392	35%	0.351	S	S	.	.			trans	-89	103.1	172.8	0	0	0	0	0	110.8	A572 S580	A572-G574 VanDerWaalsContact C-N 3.27Å; A572-G574 PolarHBondContact O-N 3.17Å; A572-G574 VanDerWaalsContact O-N 3.14Å; G574-S580 VanDerWaalsContact CA-OG 3.25Å; G574-S580 WeakPolarHBondContact CA-OG 3.29Å
575	G	33.9	Very low	44.5	Very low	41 Å²	41	63.6 Å²	63.6	42%	0.423	38%	0.384	S	S	.	.			trans	-61.3	171.9	176.9	0	0	0	0	0	113.8	T577 S580	G575-T577 PolarHBondContact O-N 3.03Å; G575-S580 PolarHBondContact O-OG 3.29Å
576	P	35	Very low	42.2	Very low	139 Å²	139	69.5 Å²	69.5	90%	0.903	42%	0.42	S	S	*	.	S	Bend	trans	-67.8	-3.6	-176.7	-12.9	27.5	0	0	0	114.3
577	T	32.5	Very low	40	Very low	112 Å²	112	79.2 Å²	79.2	69%	0.687	46%	0.462	S	S	*	.	S	Bend	trans	-106.4	94.3	-175.4	54.2	0	0	0	0	110.2	G575 D579	G575-T577 PolarHBondContact O-N 3.03Å; T577-D579 VanDerWaalsContact C-N 3.27Å; T577-D579 PolarHBondContact O-N 3.29Å
578	N	32.5	Very low	38	Very low	145 Å²	145	83.6 Å²	83.6	78%	0.775	50%	0.498	S	S	*	.	S	Bend	trans	49.3	-7.2	151.9	-72.3	-14.1	0	0	0	123.2
579	D	33.4	Very low	36	Very low	112 Å²	112	96 Å²	96	60%	0.599	54%	0.544	S	S	*	.			trans	-120.3	15.3	-171.3	-68.1	-15.5	0	0	0	114.5	T577 Y581 H650	T577-D579 VanDerWaalsContact C-N 3.27Å; T577-D579 PolarHBondContact O-N 3.29Å; D579-Y581 PolarHBondContact O-N 2.81Å; D579-Y581 VanDerWaalsContact O-N 3.14Å; D579-H650 PolarHBondContact O-NE2 3Å
580	S	35.2	Very low	34.3	Very low	28 Å²	28	99.4 Å²	99.4	20%	0.196	57%	0.567	C	S	.	*	S	Bend	trans	-71.7	3.3	168.6	-40.6	0	0	0	0	113.2	G574 G575	G574-S580 VanDerWaalsContact CA-OG 3.25Å; G574-S580 WeakPolarHBondContact CA-OG 3.29Å; G575-S580 PolarHBondContact O-OG 3.29Å
581	Y	41.3	Very low	32.6	Very low	105 Å²	105	101.6 Å²	101.6	41%	0.412	59%	0.591	S	S	.	*	S	Bend	trans	-140	82.5	-165.5	-51.2	-75.1	0	0	0	111.6	D579 R583	D579-Y581 PolarHBondContact O-N 2.81Å; D579-Y581 VanDerWaalsContact O-N 3.14Å; Y581-R583 VanDerWaalsContact C-N 3.28Å; Y581-R583 PolarHBondContact O-N 3.27Å
582	G	35.1	Very low	31.2	Very low	32 Å²	32	105.3 Å²	105.3	33%	0.33	62%	0.615	S	S	.	*	S	Bend	trans	50.9	12.3	153.4	0	0	0	0	0	121.4	H650 K652	G582-H650 VanDerWaalsContact CA-CE1 3.49Å; G582-H650 WeakPolarHBondContact CA-CE1 2.82Å; G582-H650 PolarHBondContact N-CE1 2.84Å; G582-K652 WeakPolarHBondContact O-CE 3.24Å
583	R	28.8	Very low	30.1	Very low	224 Å²	224	108 Å²	108	85%	0.845	63%	0.633	S	S	*	*			trans	-130.6	82.3	-171.7	-85.5	-174.4	171.9	179.3	-1	113.8	Y581	Y581-R583 VanDerWaalsContact C-N 3.28Å; Y581-R583 PolarHBondContact O-N 3.27Å
584	A	26.3	Very low	29.2	Very low	71 Å²	71	108 Å²	108	59%	0.587	64%	0.644	S	S	*	*			trans	-144.3	145.4	154.6	0	0	0	0	0	111.9	K652	A584-K652 PolarHBondContact O-NZ 2.05Å
585	A	28.8	Very low	28.4	Very low	85 Å²	85	111 Å²	111	70%	0.702	67%	0.666	S	S	*	*			trans	68.3	90.6	170.4	0	0	0	0	0	118.4
586	T	24.5	Very low	28	Very low	124 Å²	124	114.2 Å²	114.2	76%	0.761	68%	0.681	S	S	*	*			trans	-48.7	141.5	137.5	41.8	0	0	0	0	110.5
587	F	23	Very low	27.4	Very low	206 Å²	206	114.6 Å²	114.6	90%	0.904	68%	0.675	S	S	*	*			trans	89.5	78.9	177.5	-60.7	-86.2	0	0	0	117.5
588	A	23.8	Very low	27	Very low	94 Å²	94	117.7 Å²	117.7	78%	0.777	68%	0.679	S	S	*	*			trans	-146.4	113.7	147.4	0	0	0	0	0	110.3	S590	A588-S590 PolarHBondContact O-N 2.91Å
589	R	22.5	Very low	26.5	Very low	263 Å²	263	119.7 Å²	119.7	99%	0.992	68%	0.684	S	S	*	*			trans	-86.2	88.7	165.4	-78	178.4	173.5	-177.9	-2.1	107.5
590	S	23.8	Very low	26.1	Very low	79 Å²	79	117.4 Å²	117.4	55%	0.552	69%	0.686	S	S	*	*			trans	166.7	119.1	151.1	-172.7	0	0	0	0	109.6	A588 N592	A588-S590 PolarHBondContact O-N 2.91Å; S590-N592 WeakPolarHBondContact CB-OD1 3.49Å; S590-N592 PolarHBondContact O-N 3.21Å; S590-N592 PolarHBondContact OG-OD1 2.83Å
591	A	24.2	Very low	25.6	Very low	81 Å²	81	122.6 Å²	122.6	67%	0.669	72%	0.719	S	S	*	*			trans	-73.8	98.3	159.3	0	0	0	0	0	107.1	S593	A591-S593 PolarHBondContact O-N 2.76Å; A591-S593 VanDerWaalsContact O-N 3.14Å
592	N	23.5	Very low	24.8	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	74%	0.74	S	S	*	*			trans	-81.2	91	176.7	-81	-6.2	0	0	0	110.3	S590 G594	S590-N592 WeakPolarHBondContact CB-OD1 3.49Å; S590-N592 PolarHBondContact O-N 3.21Å; S590-N592 PolarHBondContact OG-OD1 2.83Å; N592-G594 PolarHBondContact O-N 3.11Å; N592-G594 VanDerWaalsContact O-N 3.12Å
593	S	23	Very low	24.3	Very low	75 Å²	75	134.7 Å²	134.7	52%	0.524	77%	0.766	S	S	.	*			trans	-69.7	81.5	151.3	37.1	0	0	0	0	108.7	A591 A595 E612	A591-S593 PolarHBondContact O-N 2.76Å; A591-S593 VanDerWaalsContact O-N 3.14Å; S593-A595 PolarHBondContact O-N 3.37Å; S593-E612 WeakPolarHBondContact CB-OE1 3.38Å; S593-E612 PolarHBondContact OG-OE1 2.9Å
594	G	22.7	Very low	24.1	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	76%	0.762	S	S	*	*			trans	-90.3	99.7	-178.2	0	0	0	0	0	112.7	N592	N592-G594 PolarHBondContact O-N 3.11Å; N592-G594 VanDerWaalsContact O-N 3.12Å
595	A	23	Very low	24	Very low	103 Å²	103	133.5 Å²	133.5	85%	0.851	77%	0.774	S	S	*	*			trans	-58.8	129.5	162.2	0	0	0	0	0	111.1	S593	S593-A595 PolarHBondContact O-N 3.37Å
596	S	23.9	Very low	23.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	77%	0.767	S	S	*	*			trans	-144.4	90.8	162	176.5	0	0	0	0	108.9
597	L	24.3	Very low	24.1	Very low	148 Å²	148	129.2 Å²	129.2	78%	0.775	76%	0.763	S	S	*	*			trans	-69.5	146.1	151.6	-78.2	135.8	0	0	0	106.8
598	F	22.5	Very low	24.3	Very low	177 Å²	177	122.6 Å²	122.6	78%	0.776	75%	0.753	S	S	*	*			trans	86.3	83.6	179.1	-49.7	-77.2	0	0	0	116.3
599	H	23.6	Very low	24.7	Very low	187 Å²	187	119.7 Å²	119.7	87%	0.866	73%	0.729	S	S	*	*				156.2	120.9	122.5	-86	75.6	0	0	0	112.5
600	G	23.2	Very low	25.2	Very low	63 Å²	63	109 Å²	109	65%	0.649	70%	0.7	S	S	*	*			trans	59.2	149.6	142.7	0	0	0	0	0	120.7	R602	G600-R602 PolarHBondContact O-N 2.8Å
601	P	26.6	Very low	25.7	Very low	137 Å²	137	107.8 Å²	107.8	89%	0.89	69%	0.689	S	S	*	*			trans	-69.1	105.1	-168.5	31.1	-33.4	0	0	0	111.2
602	R	23.1	Very low	26.1	Very low	227 Å²	227	109.4 Å²	109.4	86%	0.857	68%	0.683	S	S	*	*			trans	-141.4	115.6	165.5	-73.9	-165.1	175.9	-143.8	-0.9	111.2	G600 I604	G600-R602 PolarHBondContact O-N 2.8Å; R602-I604 PolarHBondContact O-N 3.38Å
603	L	25.1	Very low	26.5	Very low	165 Å²	165	112 Å²	112	86%	0.864	68%	0.683	S	S	*	*			trans	-50.5	111.7	152.8	-70.1	138.4	0	0	0	107.7
604	I	24.3	Very low	26.7	Very low	151 Å²	151	114 Å²	114	77%	0.774	69%	0.688	S	S	*	*			trans	166.9	93.3	157.1	-77.9	141.2	0	0	0	106.4	R602	R602-I604 PolarHBondContact O-N 3.38Å
605	S	24.8	Very low	27	Very low	119 Å²	119	120.2 Å²	120.2	83%	0.832	69%	0.691	S	S	*	*			trans	-165	131	147.9	61.4	0	0	0	0	109.5
606	G	26.3	Very low	27.2	Very low	54 Å²	54	121.7 Å²	121.7	56%	0.557	69%	0.694	S	S	*	*			trans	-67.7	138.5	-176.8	0	0	0	0	0	111.8	G608	G606-G608 PolarHBondContact O-N 3.2Å
607	G	28.1	Very low	27.6	Very low	65 Å²	65	126.8 Å²	126.8	67%	0.67	70%	0.697	S	S	*	*			trans	-67.2	102.6	176.6	0	0	0	0	0	111.2
608	G	27.9	Very low	28.2	Very low	67 Å²	67	124 Å²	124	69%	0.691	69%	0.686	S	S	*	*			trans	-89.1	109.2	163.5	0	0	0	0	0	109.6	G606	G606-G608 PolarHBondContact O-N 3.2Å
609	A	31.4	Very low	28.7	Very low	33 Å²	33	118 Å²	118	27%	0.273	67%	0.665	S	S	.	*			trans	-106.1	78.7	157.1	0	0	0	0	0	107.1	G639	A609-G639 VanDerWaalsContact O-O 3.04Å
610	G	33.2	Very low	29.3	Very low	38 Å²	38	112 Å²	112	39%	0.392	64%	0.639	S	S	.	*			trans	-113.4	145.6	164.7	0	0	0	0	0	108.5	E612 F640	G610-E612 PolarHBondContact O-N 2.85Å; G610-F640 WeakPolarHBondContact CA-O 3.48Å
611	V	33.9	Very low	29.6	Very low	54 Å²	54	116.6 Å²	116.6	33%	0.327	64%	0.643	S	S	.	*			trans	-80.9	105.8	176.2	-176.3	0	0	0	0	107.3	Y613 F640	V611-Y613 PolarHBondContact O-N 2.85Å; V611-F640 PolarHBondContact N-O 3.02Å
612	E	33.7	Very low	29.8	Very low	114 Å²	114	113.9 Å²	113.9	53%	0.533	63%	0.627	S	S	.	*			trans	-72.4	114.4	176.3	-163.7	173.2	-161.1	0	0	109.8	S593 G610 L614	S593-E612 WeakPolarHBondContact CB-OE1 3.38Å; S593-E612 PolarHBondContact OG-OE1 2.9Å; G610-E612 PolarHBondContact O-N 2.85Å; E612-L614 HydrophobicContact CG-CB 4.35Å; E612-L614 HydrophobicContact CG-CD1 4.39Å; E612-L614 PolarHBondContact O-N 2.76Å
613	Y	31.2	Very low	30.2	Very low	196 Å²	196	106 Å²	106	77%	0.769	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	39.8	-175.7	-142.9	-86.1	0	0	0	112.9	V611	V611-Y613 PolarHBondContact O-N 2.85Å
614	L	27.6	Very low	30.4	Very low	119 Å²	119	104.4 Å²	104.4	62%	0.623	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-10.1	-175.4	-97.1	155.8	0	0	0	115.9	E612	E612-L614 HydrophobicContact CG-CB 4.35Å; E612-L614 HydrophobicContact CG-CD1 4.39Å; E612-L614 PolarHBondContact O-N 2.76Å
615	Y	29.7	Very low	30.6	Very low	201 Å²	201	101.5 Å²	101.5	79%	0.788	59%	0.593	S	S	*	*			trans	-145.2	114.7	169	-75.2	-80.6	0	0	0	112.5	R617	Y615-R617 PolarHBondContact O-N 3.32Å
616	S	27.4	Very low	30.8	Very low	133 Å²	133	98.9 Å²	98.9	93%	0.93	58%	0.584	S	S	*	*	S	Bend	trans	-65.2	28.9	173.7	-33.7	0	0	0	0	114.4
617	R	31.6	Very low	31.1	Very low	215 Å²	215	104.5 Å²	104.5	81%	0.811	59%	0.589	S	S	*	*			trans	-151.7	75.3	-178	-65	-171.7	-163.5	-175.9	5.1	111.4	Y615	Y615-R617 PolarHBondContact O-N 3.32Å
618	V	37.4	Very low	31.6	Very low	88 Å²	88	106.9 Å²	106.9	53%	0.533	59%	0.586	S	S	.	*			trans	-106.7	114.5	161.6	-167.3	0	0	0	0	107.6	L620	V618-L620 PolarHBondContact O-N 3.07Å
619	P	32.4	Very low	32.2	Very low	52 Å²	52	107.9 Å²	107.9	34%	0.338	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-63.4	130.7	172.9	-11.9	25	0	0	0	109.2	Y556 H621	Y556-P619 HydrophobicContact CE1-CB 3.89Å; Y556-P619 HydrophobicContact CE1-CG 4.02Å; P619-H621 PolarHBondContact O-N 2.91Å
620	L	36.4	Very low	32.1	Very low	62 Å²	62	109.1 Å²	109.1	33%	0.325	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-2.3	173	-84.9	144.6	0	0	0	113.4	W491 L550 Q555 V618	W491-L620 HydrophobicContact CD2-CD2 4.48Å; W491-L620 HydrophobicContact CG-CD2 4.41Å; L550-L620 HydrophobicContact CD2-CD1 3.2Å; Q555-L620 PolarHBondContact O-N 3.41Å; Q555-L620 VanDerWaalsContact O-N 3.14Å; V618-L620 PolarHBondContact O-N 3.07Å
621	H	30.2	Very low	31.9	Very low	159 Å²	159	112.8 Å²	112.8	74%	0.736	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	3.1	-170.1	-107.1	-61.9	0	0	0	116.3	P619 S623	P619-H621 PolarHBondContact O-N 2.91Å; H621-S623 VanDerWaalsContact C-N 3.25Å; H621-S623 PolarHBondContact O-N 3.27Å
622	S	30.7	Very low	31.6	Very low	79 Å²	79	113.5 Å²	113.5	55%	0.552	62%	0.62	S	S	*	*	S	Bend	trans	-87	29.8	-179.4	56.9	0	0	0	0	115.3
623	S	30.6	Very low	31.5	Very low	61 Å²	61	113.7 Å²	113.7	43%	0.427	63%	0.631	S	S	.	*			trans	-162.2	124.7	156.4	-109	0	0	0	0	110.7	H621 D625	H621-S623 VanDerWaalsContact C-N 3.25Å; H621-S623 PolarHBondContact O-N 3.27Å; S623-D625 PolarHBondContact O-N 2.74Å
624	P	29.5	Very low	31.5	Very low	132 Å²	132	112.4 Å²	112.4	86%	0.857	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-4.9	176.4	-17.8	30.3	0	0	0	114.7
625	D	28.3	Very low	32	Very low	90 Å²	90	108 Å²	108	48%	0.481	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.5	5.6	-162.9	-60.9	-12.5	0	0	0	115.1	S623 R627	S623-D625 PolarHBondContact O-N 2.74Å; D625-R627 HydrophobicContact CB-CB 4.25Å; D625-R627 HydrophobicContact CB-CG 3.58Å; D625-R627 PolarHBondContact O-N 3.25Å; D625-R627 IonicContact OD2-CZ 3.25Å; D625-R627 VanDerWaalsContact OD2-CZ 3.25Å; D625-R627 IonicContact OD2-NE 3.38Å; D625-R627 PolarHBondContact OD2-NE 3.43Å; D625-R627 IonicContact OD2-NH1 3.25Å; D625-R627 PolarHBondContact OD2-NH1 3.13Å; D625-R627 IonicContact OD2-NH2 3.85Å
626	G	30.1	Very low	32.7	Very low	64 Å²	64	99.7 Å²	99.7	66%	0.66	58%	0.583	S	S	*	*			trans	59.8	16.7	-177.3	0	0	0	0	0	114.3	L628	G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 3.38Å
627	R	31.7	Very low	33.5	Very low	172 Å²	172	93.4 Å²	93.4	65%	0.649	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-75.5	-0.9	-168.1	-83.4	177	179.1	178.9	-0.9	116	D625 F629	D625-R627 HydrophobicContact CB-CB 4.25Å; D625-R627 HydrophobicContact CB-CG 3.58Å; D625-R627 PolarHBondContact O-N 3.25Å; D625-R627 IonicContact OD2-CZ 3.25Å; D625-R627 VanDerWaalsContact OD2-CZ 3.25Å; D625-R627 IonicContact OD2-NE 3.38Å; D625-R627 PolarHBondContact OD2-NE 3.43Å; D625-R627 IonicContact OD2-NH1 3.25Å; D625-R627 PolarHBondContact OD2-NH1 3.13Å; D625-R627 IonicContact OD2-NH2 3.85Å; R627-F629 PolarHBondContact O-N 3.05Å
628	L	39.5	Very low	34.3	Very low	116 Å²	116	83.8 Å²	83.8	61%	0.607	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12	177.9	-114.9	125.3	0	0	0	113.6	G626	G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 3.38Å
629	F	39.4	Very low	34.8	Very low	88 Å²	88	79.6 Å²	79.6	39%	0.386	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-127.2	5.8	-174.8	-60.9	-75.7	0	0	0	114.7	W491 R627	W491-F629 AromaticContact CH2-CD2 3.98Å; W491-F629 HydrophobicContact CH2-CD2 3.98Å; W491-F629 AromaticContact CH2-CE2 3.44Å; W491-F629 HydrophobicContact CH2-CE2 3.44Å; W491-F629 VanDerWaalsContact CH2-CE2 3.44Å; W491-F629 AromaticContact CH2-CZ 3.88Å; W491-F629 HydrophobicContact CH2-CZ 3.88Å; W491-F629 HydrophobicContact CZ2-CD2 4.47Å; W491-F629 HydrophobicContact CZ2-CE2 4.01Å; W491-F629 HydrophobicContact CZ3-CE2 4.38Å; W491-F629 HydrophobicContact CZ3-CZ 4.41Å; R627-F629 PolarHBondContact O-N 3.05Å
630	A	29.1	Very low	35.4	Very low	59 Å²	59	79.3 Å²	79.3	49%	0.488	48%	0.475	S	S	.	.			trans	-149.1	99.5	-174.7	0	0	0	0	0	112.1
631	S	29.4	Very low	35.8	Very low	114 Å²	114	79.2 Å²	79.2	80%	0.797	48%	0.477	S	S	*	.			trans	-140	115	163.7	53.4	0	0	0	0	112.1
632	G	28.4	Very low	36.6	Very low	70 Å²	70	72.6 Å²	72.6	72%	0.722	45%	0.452	S	S	*	.			trans	72.3	152.1	147.1	0	0	0	0	0	119.8	R634	G632-R634 PolarHBondContact O-N 3.14Å
633	P	30.1	Very low	37.4	Very low	118 Å²	118	69.7 Å²	69.7	77%	0.766	43%	0.434	S	S	*	.	S	Bend	trans	-86.6	102.9	-164.2	34.2	-29.7	0	0	0	111.2
634	R	32.3	Very low	38.1	Very low	169 Å²	169	72.2 Å²	72.2	64%	0.638	44%	0.443	S	S	*	.	S	Bend	trans	-178.8	129.4	151.8	-94.6	146.7	-161.8	-102.2	8.8	108.7	N534 G632	N534-R634 PolarHBondContact O-NH1 3.19Å; N534-R634 PolarHBondContact O-NH2 2.93Å; G632-R634 PolarHBondContact O-N 3.14Å
635	G	38	Very low	38.8	Very low	26 Å²	26	67.5 Å²	67.5	27%	0.268	42%	0.418	S	S	.	.			trans	-74.4	130.5	-155.6	0	0	0	0	0	117.6
636	G	43.3	Very low	39.4	Very low	27 Å²	27	65.4 Å²	65.4	28%	0.278	42%	0.418	S	S	.	.			trans	-143.9	132.4	151.8	0	0	0	0	0	108.1	G638	G636-G638 PolarHBondContact O-N 2.8Å
637	G	46	Very low	39.8	Very low	1 Å²	1	69.6 Å²	69.6	1%	0.01	43%	0.425	C	S	.	.			trans	-73.3	120.7	178	0	0	0	0	0	110	G654	G637-G654 WeakPolarHBondContact O-CA 3.47Å; G637-G654 PolarHBondContact O-N 2.77Å
638	G	48.4	Very low	40.4	Very low	12 Å²	12	68.9 Å²	68.9	12%	0.124	43%	0.427	C	S	.	.			trans	-70.9	147.3	179.6	0	0	0	0	0	112	G542 A544 A565 G566 G636	G542-G638 PolarHBondContact O-N 2.76Å; A544-G638 VanDerWaalsContact CB-C 3.47Å; A544-G638 WeakPolarHBondContact CB-O 3.26Å; A565-G638 CarbonylContact C-O 3.52Å; A565-G638 WeakPolarHBondContact CA-O 3.38Å; G566-G638 PolarHBondContact N-O 2.89Å; G636-G638 PolarHBondContact O-N 2.8Å
639	G	46.9	Very low	40.3	Very low	0 Å²	0	66.3 Å²	66.3	0%	0	42%	0.419	C	S	.	.	S	Bend	trans	-166.6	-179	178	0	0	0	0	0	110.2	A609 V641 W655	A609-G639 VanDerWaalsContact O-O 3.04Å; G639-V641 PolarHBondContact O-N 3.22Å; G639-W655 CarbonylContact C-O 3.57Å; G639-W655 WeakPolarHBondContact CA-O 3.38Å
640	F	44.3	Very low	40.5	Very low	47 Å²	47	64.7 Å²	64.7	21%	0.206	41%	0.412	C	S	.	.	S	Bend	trans	-54.4	-43	177.1	174.9	-107.8	0	0	0	111.8	L560 V563 G610 V611 W655 F657	L560-F640 HydrophobicContact CD2-CD2 3.9Å; L560-F640 HydrophobicContact CD2-CE2 4.09Å; V563-F640 HydrophobicContact CB-CB 4.25Å; V563-F640 HydrophobicContact CG1-CB 4.41Å; V563-F640 HydrophobicContact CG2-CB 4.37Å; G610-F640 WeakPolarHBondContact CA-O 3.48Å; V611-F640 PolarHBondContact N-O 3.02Å; F640-W655 PolarHBondContact N-O 2.76Å; F640-F657 HydrophobicContact CB-CB 3.39Å; F640-F657 HydrophobicContact CB-CG 4.3Å; F640-F657 HydrophobicContact CD1-CB 3.86Å; F640-F657 HydrophobicContact CD1-CD2 4.04Å; F640-F657 HydrophobicContact CD1-CG 4.13Å; F640-F657 HydrophobicContact CD2-CB 3.75Å; F640-F657 HydrophobicContact CD2-CD1 4.02Å; F640-F657 HydrophobicContact CD2-CD2 4.16Å; F640-F657 AromaticContact CD2-CG 3.7Å; F640-F657 HydrophobicContact CD2-CG 3.7Å; F640-F657 AromaticContact CE1-CD2 3.97Å; F640-F657 HydrophobicContact CE1-CD2 3.97Å; F640-F657 HydrophobicContact CE1-CG 4.42Å; F640-F657 HydrophobicContact CE2-CD1 4.24Å; F640-F657 HydrophobicContact CE2-CD2 4.07Å; F640-F657 HydrophobicContact CE2-CE2 4.38Å; F640-F657 HydrophobicContact CE2-CG 4Å; F640-F657 HydrophobicContact CG-CB 3.39Å; F640-F657 HydrophobicContact CG-CD2 4.16Å; F640-F657 AromaticContact CG-CG 3.78Å; F640-F657 HydrophobicContact CG-CG 3.78Å; F640-F657 AromaticContact CZ-CD2 3.99Å; F640-F657 HydrophobicContact CZ-CD2 3.99Å; F640-F657 HydrophobicContact CZ-CE2 4.23Å; F640-F657 HydrophobicContact CZ-CG 4.36Å
641	V	45.4	Very low	41.3	Very low	60 Å²	60	62 Å²	62	36%	0.364	39%	0.391	S	S	.	.	S	Bend	trans	-111.8	114.9	161.1	-175.1	0	0	0	0	105.7	G639 W655	G639-V641 PolarHBondContact O-N 3.22Å; V641-W655 HydrophobicContact CB-CB 4.06Å; V641-W655 HydrophobicContact CB-CG 4.18Å; V641-W655 PolarHBondContact O-N 3.09Å
642	G	47.6	Very low	42.2	Very low	20 Å²	20	59.8 Å²	59.8	21%	0.206	37%	0.367	C	S	.	.			trans	-55.7	148.1	175	0	0	0	0	0	110.7
643	G	46.2	Very low	43.4	Very low	18 Å²	18	58 Å²	58	19%	0.186	35%	0.349	C	S	.	.			trans	-69.6	157.6	178.9	0	0	0	0	0	113.3	G645 K652	G643-G645 PolarHBondContact O-N 3.46Å; G643-K652 WeakPolarHBondContact CA-O 3.2Å
644	D	46.4	Very low	44.6	Very low	113 Å²	113	53 Å²	53	60%	0.604	32%	0.319	S	S	*	.			trans	-65.4	96.7	176.5	-68.2	-33.5	0	0	0	110.3
645	G	44.3	Very low	45.8	Very low	33 Å²	33	53.4 Å²	53.4	34%	0.34	32%	0.321	S	S	.	.			trans	-107.6	89.9	169.3	0	0	0	0	0	109.9	G643	G643-G645 PolarHBondContact O-N 3.46Å
646	G	40.3	Very low	47.2	Very low	47 Å²	47	53.6 Å²	53.6	49%	0.485	32%	0.318	S	S	.	.			trans	-161.8	142	-179.6	0	0	0	0	0	114.1	S649	G646-S649 PolarHBondContact O-OG 3.02Å
647	N	38.4	Very low	48.7	Very low	151 Å²	151	54.7 Å²	54.7	81%	0.807	32%	0.315	S	S	*	.	S	Bend	trans	60.7	64.1	179.2	-135.8	19.6	0	0	0	115.2	S649	N647-S649 PolarHBondContact O-N 3.33Å; N647-S649 VanDerWaalsContact O-N 3.11Å
648	F	45.1	Very low	49.8	Very low	158 Å²	158	55.4 Å²	55.4	69%	0.693	32%	0.32	S	S	*	.	S	Bend	trans	61.3	14.9	177.6	-48.9	-79.7	0	0	0	115.7	P533	P533-F648 HydrophobicContact CB-CD1 4.31Å; P533-F648 HydrophobicContact CB-CE1 4.27Å
649	S	37.1	Very low	50.7	Low	61 Å²	61	57 Å²	57	43%	0.427	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-94.5	142.4	174.6	63.8	0	0	0	0	111.7	G646 N647	G646-S649 PolarHBondContact O-OG 3.02Å; N647-S649 PolarHBondContact O-N 3.33Å; N647-S649 VanDerWaalsContact O-N 3.11Å
650	H	44.5	Very low	51.6	Low	54 Å²	54	57.5 Å²	57.5	25%	0.25	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.8	134.1	168.4	48.8	49	0	0	0	108.9	D579 G582 K652	D579-H650 PolarHBondContact O-NE2 3Å; G582-H650 VanDerWaalsContact CA-CE1 3.49Å; G582-H650 WeakPolarHBondContact CA-CE1 2.82Å; G582-H650 PolarHBondContact N-CE1 2.84Å; H650-K652 PolarHBondContact O-N 2.83Å
651	G	44	Very low	52.2	Low	4 Å²	4	62 Å²	62	4%	0.041	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-56.2	126.7	179.9	0	0	0	0	0	111.3
652	K	49.1	Very low	52.8	Low	66 Å²	66	62 Å²	62	29%	0.287	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-57.8	149.7	165.2	-68.7	178	-179.5	164.3	0	108	G582 A584 G643 H650	G582-K652 WeakPolarHBondContact O-CE 3.24Å; A584-K652 PolarHBondContact O-NZ 2.05Å; G643-K652 WeakPolarHBondContact CA-O 3.2Å; H650-K652 PolarHBondContact O-N 2.83Å
653	G	53.4	Low	53.3	Low	33 Å²	33	62 Å²	62	34%	0.34	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-54.5	152.5	171.1	0	0	0	0	0	110.6	G566	G566-G653 WeakPolarHBondContact O-CA 3.21Å
654	G	56.1	Low	54	Low	14 Å²	14	64.1 Å²	64.1	14%	0.144	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66.4	168.8	178.4	0	0	0	0	0	112.7	A565 G566 G637	A565-G654 WeakPolarHBondContact CB-O 3.27Å; G566-G654 PolarHBondContact O-N 2.75Å; G637-G654 WeakPolarHBondContact O-CA 3.47Å; G637-G654 PolarHBondContact O-N 2.77Å
655	W	57.7	Low	54.9	Low	177 Å²	177	63.3 Å²	63.3	67%	0.67	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-87.4	138.5	170.6	-69.5	84.4	0	0	0	111.2	G639 F640 V641	G639-W655 CarbonylContact C-O 3.57Å; G639-W655 WeakPolarHBondContact CA-O 3.38Å; F640-W655 PolarHBondContact N-O 2.76Å; V641-W655 HydrophobicContact CB-CB 4.06Å; V641-W655 HydrophobicContact CB-CG 4.18Å; V641-W655 PolarHBondContact O-N 3.09Å
656	S	66.8	Low	55.9	Low	30 Å²	30	65.6 Å²	65.6	21%	0.21	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-86.3	151.7	173.5	-65.5	0	0	0	0	110.8	A476 V478 V563 A565	A476-S656 WeakPolarHBondContact CB-OG 3.08Å; V478-S656 VanDerWaalsContact CG2-CB 3.44Å; V478-S656 WeakPolarHBondContact CG2-OG 3.3Å; V563-S656 CarbonylContact O-C 3.54Å; V563-S656 WeakPolarHBondContact O-CA 2.82Å; V563-S656 VanDerWaalsContact O-CB 3.3Å; V563-S656 WeakPolarHBondContact O-CB 3.45Å; A565-S656 PolarHBondContact N-OG 2.92Å; A565-S656 VanDerWaalsContact N-OG 3.12Å
657	F	74.1	Confident	57.1	Low	50 Å²	50	68.2 Å²	68.2	22%	0.219	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.1	-179.5	170.5	-97.1	0	0	0	111	L560 L562 V563 F640	L560-F657 HydrophobicContact CB-CE1 4.4Å; L560-F657 HydrophobicContact CD2-CD1 3.91Å; L560-F657 HydrophobicContact CD2-CE1 4.05Å; L560-F657 HydrophobicContact CG-CD1 4.16Å; L560-F657 HydrophobicContact CG-CE1 4.1Å; L562-F657 CarbonylContact C-O 3.26Å; L562-F657 WeakPolarHBondContact CA-O 3.42Å; V563-F657 HydrophobicContact CB-CB 4.22Å; V563-F657 HydrophobicContact CG2-CB 4.37Å; V563-F657 HydrophobicContact CG2-CD1 4.45Å; V563-F657 PolarHBondContact N-O 3.44Å; V563-F657 PolarHBondContact O-N 3.42Å; F640-F657 HydrophobicContact CB-CB 3.39Å; F640-F657 HydrophobicContact CB-CG 4.3Å; F640-F657 HydrophobicContact CD1-CB 3.86Å; F640-F657 HydrophobicContact CD1-CD2 4.04Å; F640-F657 HydrophobicContact CD1-CG 4.13Å; F640-F657 HydrophobicContact CD2-CB 3.75Å; F640-F657 HydrophobicContact CD2-CD1 4.02Å; F640-F657 HydrophobicContact CD2-CD2 4.16Å; F640-F657 AromaticContact CD2-CG 3.7Å; F640-F657 HydrophobicContact CD2-CG 3.7Å; F640-F657 AromaticContact CE1-CD2 3.97Å; F640-F657 HydrophobicContact CE1-CD2 3.97Å; F640-F657 HydrophobicContact CE1-CG 4.42Å; F640-F657 HydrophobicContact CE2-CD1 4.24Å; F640-F657 HydrophobicContact CE2-CD2 4.07Å; F640-F657 HydrophobicContact CE2-CE2 4.38Å; F640-F657 HydrophobicContact CE2-CG 4Å; F640-F657 HydrophobicContact CG-CB 3.39Å; F640-F657 HydrophobicContact CG-CD2 4.16Å; F640-F657 AromaticContact CG-CG 3.78Å; F640-F657 HydrophobicContact CG-CG 3.78Å; F640-F657 AromaticContact CZ-CD2 3.99Å; F640-F657 HydrophobicContact CZ-CD2 3.99Å; F640-F657 HydrophobicContact CZ-CE2 4.23Å; F640-F657 HydrophobicContact CZ-CG 4.36Å
658	S	69.8	Low	58.5	Low	16 Å²	16	62.7 Å²	62.7	11%	0.112	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.6	168.1	170.8	0	0	0	0	109.5	A480 L561 A660 A663	A480-S658 WeakPolarHBondContact CB-OG 3.09Å; L561-S658 CarbonylContact O-C 3.43Å; L561-S658 VanDerWaalsContact O-CA 3.27Å; L561-S658 WeakPolarHBondContact O-CA 3.29Å; S658-A660 VanDerWaalsContact C-N 3.3Å; S658-A660 PolarHBondContact OG-N 3.24Å; S658-A660 VanDerWaalsContact OG-N 3.08Å; S658-A660 PolarHBondContact OG-O 2.76Å; S658-A663 VanDerWaalsContact OG-CB 3.29Å; S658-A663 WeakPolarHBondContact OG-CB 3.47Å
659	S	68.2	Low	59.8	Low	44 Å²	44	57 Å²	57	31%	0.308	32%	0.321	S	S	.	.	S	Bend	trans	-76.4	-19.3	170.7	71.9	0	0	0	0	112.5	F482 E559 L561	F482-S659 WeakPolarHBondContact CE1-OG 3.41Å; E559-S659 PolarHBondContact OE1-OG 2.94Å; L561-S659 PolarHBondContact O-N 3.21Å
660	A	64	Low	61.4	Low	12 Å²	12	54.7 Å²	54.7	10%	0.099	30%	0.304	C	S	.	.	S	Bend	trans	-80.5	131.3	176.5	0	0	0	0	0	111.9	A480 A481 F482 S658 S662 A663	A480-A660 HydrophobicContact CB-CB 4.22Å; A481-A660 WeakPolarHBondContact O-CB 3.33Å; F482-A660 HydrophobicContact CD1-CB 4.05Å; F482-A660 HydrophobicContact CE1-CB 3.57Å; F482-A660 HydrophobicContact CZ-CB 3.91Å; S658-A660 VanDerWaalsContact C-N 3.3Å; S658-A660 PolarHBondContact OG-N 3.24Å; S658-A660 VanDerWaalsContact OG-N 3.08Å; S658-A660 PolarHBondContact OG-O 2.76Å; A660-S662 PolarHBondContact O-N 3.05Å; A660-A663 VanDerWaalsContact O-CB 3.3Å; A660-A663 WeakPolarHBondContact O-CB 3.38Å; A660-A663 PolarHBondContact O-N 2.71Å
661	P	56.9	Low	62.8	Low	141 Å²	141	56.2 Å²	56.2	92%	0.916	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.7	178.8	27.3	-33.3	0	0	0	113.6	A663	P661-A663 PolarHBondContact O-N 2.83Å
662	S	58	Low	64.4	Low	60 Å²	60	65 Å²	65	42%	0.42	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.9	176.1	58	0	0	0	0	113.8	A660	A660-S662 PolarHBondContact O-N 3.05Å
663	A	58	Low	65.9	Low	20 Å²	20	65 Å²	65	17%	0.165	36%	0.359	C	S	.	.			trans	-70.5	136.5	-173	0	0	0	0	0	113.6	E479 A480 S658 A660 P661 F665	E479-A663 CarbonylContact O-C 3.6Å; E479-A663 VanDerWaalsContact O-CA 3.24Å; E479-A663 WeakPolarHBondContact O-CA 3.35Å; A480-A663 HydrophobicContact CB-CB 3.76Å; S658-A663 VanDerWaalsContact OG-CB 3.29Å; S658-A663 WeakPolarHBondContact OG-CB 3.47Å; A660-A663 VanDerWaalsContact O-CB 3.3Å; A660-A663 WeakPolarHBondContact O-CB 3.38Å; A660-A663 PolarHBondContact O-N 2.71Å; P661-A663 PolarHBondContact O-N 2.83Å; A663-F665 HydrophobicContact CB-CE2 3.95Å; A663-F665 HydrophobicContact CB-CZ 3.88Å
664	V	62.7	Low	66.7	Low	63 Å²	63	63.9 Å²	63.9	38%	0.382	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125	174.7	-178.1	0	0	0	0	109.2	V478 E479 R666	V478-V664 WeakPolarHBondContact CA-O 2.94Å; E479-V664 HydrophobicContact CB-CB 4.43Å; E479-V664 PolarHBondContact N-O 3.37Å; E479-V664 PolarHBondContact O-N 3.28Å; V664-R666 HydrophobicContact CG1-CG 4.45Å
665	F	64.7	Low	67.9	Low	96 Å²	96	65.4 Å²	65.4	42%	0.421	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.8	-179.3	-56	-84.9	0	0	0	110.7	V478 A663	V478-F665 HydrophobicContact CB-CD1 4.34Å; V478-F665 HydrophobicContact CG1-CD1 3.71Å; V478-F665 HydrophobicContact CG1-CE1 3.6Å; V478-F665 HydrophobicContact CG1-CZ 4.49Å; V478-F665 HydrophobicContact CG2-CD1 3.84Å; V478-F665 HydrophobicContact CG2-CE1 4.28Å; A663-F665 HydrophobicContact CB-CE2 3.95Å; A663-F665 HydrophobicContact CB-CZ 3.88Å
666	R	64.5	Low	69	Low	80 Å²	80	58.2 Å²	58.2	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	103.9	179	-60.7	-176.1	-173.8	119.7	7.1	109.7	A476 V477 E479 V664	A476-R666 CarbonylContact C-O 3.56Å; A476-R666 WeakPolarHBondContact CA-O 3.22Å; V477-R666 HydrophobicContact CB-CB 4.37Å; V477-R666 PolarHBondContact N-O 3.21Å; V477-R666 PolarHBondContact O-N 3.4Å; E479-R666 IonicContact OE2-CZ 3.88Å; E479-R666 IonicContact OE2-NH1 3.98Å; E479-R666 PolarHBondContact OE2-NH1 2.77Å; E479-R666 IonicContact OE2-NH2 2.84Å; E479-R666 PolarHBondContact OE2-NH2 2.81Å; V664-R666 HydrophobicContact CG1-CG 4.45Å
667	P	66.9	Low	69.3	Low	103 Å²	103	62.7 Å²	62.7	67%	0.669	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	155.3	179.4	30	-34.2	0	0	0	112.3	Q669	P667-Q669 PolarHBondContact O-N 2.8Å
668	D	68	Low	69.4	Low	34 Å²	34	63.3 Å²	63.3	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.8	49.6	170.2	-165	37.9	0	0	0	114.9	F470 N471 G472 S474	F470-D668 VanDerWaalsContact C-OD2 3.29Å; F470-D668 WeakPolarHBondContact CA-OD2 3.03Å; N471-D668 PolarHBondContact N-OD2 2.03Å; N471-D668 VanDerWaalsContact O-OD1 3.1Å; G472-D668 WeakPolarHBondContact CA-OD1 3.47Å; S474-D668 WeakPolarHBondContact CA-OD1 2.94Å; S474-D668 WeakPolarHBondContact CB-OD1 3.41Å; S474-D668 PolarHBondContact N-OD1 3.21Å; S474-D668 PolarHBondContact OG-OD1 3.25Å; S474-D668 VanDerWaalsContact OG-OD1 3.05Å
669	Q	70.8	Confident	69.2	Low	40 Å²	40	66.5 Å²	66.5	19%	0.187	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-25.5	-172.5	-135	-162.6	20	0	0	115.4	H411 G475 V477 P667 P671	H411-Q669 PolarHBondContact CD2-NE2 3.2Å; H411-Q669 VanDerWaalsContact CD2-NE2 3.34Å; H411-Q669 VanDerWaalsContact CE1-CD 3.4Å; H411-Q669 PolarHBondContact CE1-OE1 2.88Å; H411-Q669 VanDerWaalsContact CG-CD 3.5Å; H411-Q669 VanDerWaalsContact ND1-CD 3.33Å; H411-Q669 PolarHBondContact ND1-NE2 2.88Å; H411-Q669 PolarHBondContact NE2-OE1 2.84Å; H411-Q669 VanDerWaalsContact NE2-OE1 3.15Å; G475-Q669 PolarHBondContact O-N 2.93Å; V477-Q669 HydrophobicContact CB-CB 4.36Å; V477-Q669 HydrophobicContact CG2-CB 3.77Å; V477-Q669 VanDerWaalsContact CG2-OE1 3.3Å; P667-Q669 PolarHBondContact O-N 2.8Å; Q669-P671 WeakPolarHBondContact O-CD 3.07Å
670	N	70.3	Confident	68.9	Low	11 Å²	11	68.9 Å²	68.9	6%	0.059	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105.5	-174.4	-175.3	30.4	0	0	0	112.7	A453 G454 S456 S474 G475 V477 R672 S673 Y675	A453-N670 HydrophobicContact CB-CB 3.93Å; G454-N670 WeakPolarHBondContact O-CB 3.46Å; G454-N670 PolarHBondContact O-ND2 3.36Å; S456-N670 WeakPolarHBondContact CB-O 3.39Å; S474-N670 CarbonylContact C-O 3.53Å; S474-N670 WeakPolarHBondContact CA-O 3.3Å; S474-N670 WeakPolarHBondContact CB-O 3.45Å; G475-N670 PolarHBondContact N-O 2.03Å; G475-N670 PolarHBondContact O-N 3.42Å; V477-N670 HydrophobicContact CG2-CB 4.36Å; N670-R672 VanDerWaalsContact C-N 3.27Å; N670-R672 PolarHBondContact ND2-O 2.77Å; N670-R672 PolarHBondContact O-N 3.07Å; N670-S673 PolarHBondContact ND2-O 3.49Å; N670-Y675 HydrophobicContact CB-CE1 4.47Å
671	P	75.2	Confident	68.8	Low	86 Å²	86	70 Å²	70	56%	0.558	37%	0.373	S	S	*	.			trans	-87.4	15.1	-176.8	35.9	-36.7	0	0	0	113.8	S456 Q669	S456-P671 VanDerWaalsContact CB-C 3.43Å; S456-P671 PolarHBondContact OG-O 3.34Å; S456-P671 VanDerWaalsContact OG-O 3.13Å; Q669-P671 WeakPolarHBondContact O-CD 3.07Å
672	R	77.9	Confident	68.9	Low	190 Å²	190	67.1 Å²	67.1	72%	0.717	36%	0.362	S	S	*	.	S	Bend	trans	-134.3	-169.3	-175	-62.1	-174.3	179.2	-154	-0.5	110.3	A455 S456 T497 N670	A455-R672 CarbonylContact C-O 3.39Å; A455-R672 VanDerWaalsContact CA-O 3.26Å; A455-R672 WeakPolarHBondContact CA-O 3.15Å; S456-R672 PolarHBondContact N-O 3.11Å; S456-R672 PolarHBondContact OG-N 2.78Å; T497-R672 PolarHBondContact OG1-O 3.37Å; N670-R672 VanDerWaalsContact C-N 3.27Å; N670-R672 PolarHBondContact ND2-O 2.77Å; N670-R672 PolarHBondContact O-N 3.07Å
673	S	79.7	Confident	69.2	Low	65 Å²	65	66.6 Å²	66.6	46%	0.455	35%	0.352	S	S	.	.	S	Bend	trans	-56.7	153.1	170.6	-60.6	0	0	0	0	109.8	T497 N670	T497-S673 WeakPolarHBondContact OG1-CA 3.13Å; T497-S673 PolarHBondContact OG1-N 3.47Å; T497-S673 PolarHBondContact OG1-OG 3.27Å; N670-S673 PolarHBondContact ND2-O 3.49Å
674	G	69.9	Low	69.4	Low	10 Å²	10	72.9 Å²	72.9	10%	0.103	38%	0.378	C	S	.	.			trans	-59.4	160.7	175.1	0	0	0	0	0	111.6	A453 I494 G495	A453-G674 WeakPolarHBondContact O-CA 3.44Å; I494-G674 WeakPolarHBondContact CG2-O 3.48Å; G495-G674 WeakPolarHBondContact O-CA 3.43Å; G495-G674 PolarHBondContact O-N 2.9Å
675	Y	81.4	Confident	69.7	Low	45 Å²	45	71.6 Å²	71.6	18%	0.176	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.9	173.8	60.7	-99.8	0	0	0	110.3	V451 A452 A453 N670 Y677	V451-Y675 HydrophobicContact CG1-CE2 4.21Å; A452-Y675 CarbonylContact C-O 3.49Å; A452-Y675 WeakPolarHBondContact CA-O 3.46Å; A453-Y675 HydrophobicContact CB-CD1 3.57Å; A453-Y675 HydrophobicContact CB-CD2 4.04Å; A453-Y675 HydrophobicContact CB-CE1 3.28Å; A453-Y675 HydrophobicContact CB-CE2 3.77Å; A453-Y675 HydrophobicContact CB-CG 3.94Å; A453-Y675 PolarHBondContact N-O 2.66Å; A453-Y675 PolarHBondContact O-N 3.07Å; N670-Y675 HydrophobicContact CB-CE1 4.47Å; Y675-Y677 AromaticContact CD2-CD2 3.57Å; Y675-Y677 HydrophobicContact CD2-CD2 3.57Å; Y675-Y677 AromaticContact CD2-CE2 3.33Å; Y675-Y677 HydrophobicContact CD2-CE2 3.33Å; Y675-Y677 AromaticContact CE2-CD2 3.72Å; Y675-Y677 HydrophobicContact CE2-CD2 3.72Å; Y675-Y677 AromaticContact CE2-CE2 3.53Å; Y675-Y677 HydrophobicContact CE2-CE2 3.53Å; Y675-Y677 HydrophobicContact CG-CE2 4.17Å
676	L	81.4	Confident	70.1	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.4	174.3	177.3	66.6	0	0	0	109.6	L450 A452 I492 T545 V547 L562 I678	L450-L676 HydrophobicContact CD2-CD1 3.73Å; A452-L676 HydrophobicContact CB-CD1 3.82Å; I492-L676 HydrophobicContact CB-CD2 4.29Å; I492-L676 HydrophobicContact CD1-CD2 3.75Å; I492-L676 HydrophobicContact CG1-CD2 3.76Å; I492-L676 HydrophobicContact CG2-CD2 3.52Å; T545-L676 HydrophobicContact CG2-CB 4.44Å; V547-L676 HydrophobicContact CG2-CD1 3.57Å; V547-L676 HydrophobicContact CG2-CD2 3.64Å; V547-L676 HydrophobicContact CG2-CG 4.25Å; L562-L676 HydrophobicContact CD2-CD1 4.37Å; L676-I678 HydrophobicContact CD1-CG1 4.45Å; L676-I678 HydrophobicContact CD2-CD1 3.88Å; L676-I678 HydrophobicContact CD2-CG1 3.97Å; L676-I678 HydrophobicContact CG-CD1 4.46Å; L676-I678 HydrophobicContact CG-CG1 4.01Å
677	Y	73.9	Confident	70.4	Confident	123 Å²	123	74.8 Å²	74.8	48%	0.482	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.6	168.7	-64.9	-65.3	0	0	0	109.8	V451 Y675	V451-Y677 PolarHBondContact N-O 3.2Å; V451-Y677 PolarHBondContact O-N 3.5Å; Y675-Y677 AromaticContact CD2-CD2 3.57Å; Y675-Y677 HydrophobicContact CD2-CD2 3.57Å; Y675-Y677 AromaticContact CD2-CE2 3.33Å; Y675-Y677 HydrophobicContact CD2-CE2 3.33Å; Y675-Y677 AromaticContact CE2-CD2 3.72Å; Y675-Y677 HydrophobicContact CE2-CD2 3.72Å; Y675-Y677 AromaticContact CE2-CE2 3.53Å; Y675-Y677 HydrophobicContact CE2-CE2 3.53Å; Y675-Y677 HydrophobicContact CG-CE2 4.17Å
678	I	75.7	Confident	70.5	Confident	63 Å²	63	74.6 Å²	74.6	32%	0.323	38%	0.383	S	S	.	.			trans	-107.7	122.6	172.3	-58	172.2	0	0	0	107.3	L450 L490 I492 L676 P680	L450-I678 HydrophobicContact CD1-CG1 4.48Å; L450-I678 HydrophobicContact CD1-CG2 4.27Å; L450-I678 HydrophobicContact CD2-CG1 4.28Å; L450-I678 HydrophobicContact CG-CG1 4.35Å; L490-I678 HydrophobicContact CD1-CD1 4.02Å; I492-I678 HydrophobicContact CD1-CD1 3.86Å; L676-I678 HydrophobicContact CD1-CG1 4.45Å; L676-I678 HydrophobicContact CD2-CD1 3.88Å; L676-I678 HydrophobicContact CD2-CG1 3.97Å; L676-I678 HydrophobicContact CG-CD1 4.46Å; L676-I678 HydrophobicContact CG-CG1 4.01Å; I678-P680 WeakPolarHBondContact O-CD 3.38Å
679	Y	64.7	Low	70.7	Confident	83 Å²	83	73.5 Å²	73.5	33%	0.325	38%	0.378	S	S	.	.			trans	-102.2	98.2	176.3	-60.8	-74.3	0	0	0	109.4	P371 N448 D449	P371-Y679 HydrophobicContact CG-CD1 4.28Å; P371-Y679 HydrophobicContact CG-CE1 3.45Å; P371-Y679 VanDerWaalsContact CG-CE1 3.45Å; P371-Y679 HydrophobicContact CG-CE2 4.45Å; P371-Y679 WeakPolarHBondContact CG-OH 3.48Å; N448-Y679 HydrophobicContact CB-CD2 4.38Å; N448-Y679 HydrophobicContact CB-CE2 4.17Å; D449-Y679 WeakPolarHBondContact O-CD2 3.35Å
680	P	62.2	Low	70.4	Confident	95 Å²	95	75.5 Å²	75.5	62%	0.617	39%	0.393	S	S	*	.			trans	-71.2	152.9	178.4	29	-34.3	0	0	0	111.6	I678 A682	I678-P680 WeakPolarHBondContact O-CD 3.38Å; P680-A682 PolarHBondContact O-N 3.25Å; P680-A682 VanDerWaalsContact O-N 3.09Å
681	C	61	Low	70.2	Confident	34 Å²	34	76.3 Å²	76.3	23%	0.23	40%	0.399	C	S	.	.			trans	-63.5	109.2	168.8	-162.3	0	0	0	0	108.1	C691 F693	C681-C691 VanDerWaalsContact C-SG 3.56Å; C681-C691 HydrophobicContact CB-CB 3.8Å; C681-C691 WeakPolarHBondContact CB-SG 3.33Å; C681-C691 WeakPolarHBondContact SG-CB 3.5Å; C681-C691 CovalentContact SG-SG 2.03Å; C681-C691 PolarHBondContact SG-SG 2.94Å; C681-F693 HydrophobicContact CB-CD2 4.11Å; C681-F693 HydrophobicContact CB-CE2 3.67Å; C681-F693 HydrophobicContact CB-CZ 4.34Å
682	A	59.1	Low	69.5	Low	82 Å²	82	78.1 Å²	78.1	68%	0.678	39%	0.394	S	S	*	.			trans	-99.4	-2.4	-172.3	0	0	0	0	0	113.1	P680 Q684	P680-A682 PolarHBondContact O-N 3.25Å; P680-A682 VanDerWaalsContact O-N 3.09Å; A682-Q684 PolarHBondContact O-N 2.98Å
683	K	64.2	Low	68.4	Low	49 Å²	49	71.7 Å²	71.7	21%	0.213	37%	0.372	C	S	.	.			trans	-64.4	121.6	176.9	-163.2	171.7	179.3	171.9	0	109.9	C685 C691 Q698	K683-C685 PolarHBondContact O-N 2.88Å; K683-C685 PolarHBondContact O-SG 2.86Å; K683-C691 VanDerWaalsContact CB-SG 3.5Å; K683-C691 PolarHBondContact O-SG 3.49Å; K683-C691 VanDerWaalsContact O-SG 3.39Å; K683-Q698 HydrophobicContact CB-CB 4Å; K683-Q698 HydrophobicContact CD-CB 4.23Å; K683-Q698 WeakPolarHBondContact CD-O 3.49Å; K683-Q698 PolarHBondContact NZ-O 3.34Å
684	Q	63.9	Low	67.2	Low	152 Å²	152	71.9 Å²	71.9	71%	0.71	37%	0.37	S	S	*	.			trans	-70.5	114.2	176.1	-99.4	161.5	-28.1	0	0	109.8	A682	A682-Q684 PolarHBondContact O-N 2.98Å
685	C	69.2	Low	66.6	Low	36 Å²	36	74.8 Å²	74.8	24%	0.243	40%	0.4	C	S	.	.			trans	-106.6	152	177.1	-58.9	0	0	0	0	109.6	K683 S689 C691 C700	K683-C685 PolarHBondContact O-N 2.88Å; K683-C685 PolarHBondContact O-SG 2.86Å; C685-S689 WeakPolarHBondContact CB-OG 3.38Å; C685-C691 VanDerWaalsContact SG-CA 3.51Å; C685-C700 WeakPolarHBondContact CA-SG 3.26Å; C685-C700 HydrophobicContact CB-CB 3.72Å; C685-C700 WeakPolarHBondContact CB-SG 3.2Å; C685-C700 WeakPolarHBondContact SG-CA 3.38Å; C685-C700 WeakPolarHBondContact SG-CB 3.43Å; C685-C700 CovalentContact SG-SG 2.03Å; C685-C700 PolarHBondContact SG-SG 2.87Å
686	T	73.1	Confident	65.1	Low	30 Å²	30	76.8 Å²	76.8	18%	0.184	41%	0.407	C	S	.	.			trans	-59.3	155.6	173.5	52.6	0	0	0	0	110.3	Q688 S689 S711 S713 T714	T686-Q688 PolarHBondContact O-N 2.82Å; T686-S689 PolarHBondContact N-OG 2.92Å; T686-S689 PolarHBondContact O-N 2.85Å; T686-S689 PolarHBondContact O-OG 2.78Å; T686-S689 PolarHBondContact OG1-OG 3.49Å; T686-S711 WeakPolarHBondContact CG2-O 3.1Å; T686-S713 WeakPolarHBondContact CG2-O 3.29Å; T686-S713 PolarHBondContact OG1-O 2.85Å; T686-T714 HydrophobicContact CG2-CG2 4.48Å
687	Q	69.1	Low	63.4	Low	213 Å²	213	77.4 Å²	77.4	100%	0.995	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.6	-176.2	-73	-157.2	-9.7	0	0	114.6
688	Q	69.3	Low	63	Low	99 Å²	99	72.5 Å²	72.5	46%	0.463	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-7.4	177.7	-66	178.4	-31.8	0	0	113.8	T686 P703 C715	T686-Q688 PolarHBondContact O-N 2.82Å; Q688-P703 WeakPolarHBondContact O-CD 3.39Å; Q688-C715 VanDerWaalsContact C-SG 3.58Å; Q688-C715 HydrophobicContact CB-CB 3.99Å; Q688-C715 PolarHBondContact O-SG 3.49Å; Q688-C715 PolarHBondContact OE1-O 3.26Å
689	S	71.7	Confident	62.7	Low	11 Å²	11	71 Å²	71	8%	0.077	39%	0.387	C	S	.	.	S	Bend	trans	-119.8	152.9	179.2	54.3	0	0	0	0	112.1	C685 T686 V701 L708	C685-S689 WeakPolarHBondContact CB-OG 3.38Å; T686-S689 PolarHBondContact N-OG 2.92Å; T686-S689 PolarHBondContact O-N 2.85Å; T686-S689 PolarHBondContact O-OG 2.78Å; T686-S689 PolarHBondContact OG1-OG 3.49Å; S689-V701 WeakPolarHBondContact CA-O 3.49Å; S689-L708 WeakPolarHBondContact OG-CD1 3.44Å
690	V	65	Low	63.1	Low	82 Å²	82	67.1 Å²	67.1	50%	0.497	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.7	-178.1	-175.8	0	0	0	0	109.4	R692 V701	V690-R692 PolarHBondContact O-N 3.2Å; V690-V701 PolarHBondContact N-O 3.36Å; V690-V701 PolarHBondContact O-N 2.8Å
691	C	66.5	Low	63.5	Low	27 Å²	27	63.3 Å²	63.3	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	116.2	173	-166.8	0	0	0	0	108.9	C681 K683 C685	C681-C691 VanDerWaalsContact C-SG 3.56Å; C681-C691 HydrophobicContact CB-CB 3.8Å; C681-C691 WeakPolarHBondContact CB-SG 3.33Å; C681-C691 WeakPolarHBondContact SG-CB 3.5Å; C681-C691 CovalentContact SG-SG 2.03Å; C681-C691 PolarHBondContact SG-SG 2.94Å; K683-C691 VanDerWaalsContact CB-SG 3.5Å; K683-C691 PolarHBondContact O-SG 3.49Å; K683-C691 VanDerWaalsContact O-SG 3.39Å; C685-C691 VanDerWaalsContact SG-CA 3.51Å
692	R	59.9	Low	64.2	Low	124 Å²	124	62 Å²	62	47%	0.468	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.2	178.6	-155.2	176.1	-171.3	159.9	3.5	110.3	V690 V699 V701	V690-R692 PolarHBondContact O-N 3.2Å; R692-V699 PolarHBondContact N-O 2.84Å; R692-V699 PolarHBondContact O-N 3.16Å; R692-V701 HydrophobicContact CB-CG2 4.1Å
693	F	54.9	Low	64.8	Low	56 Å²	56	63.8 Å²	63.8	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.9	166.9	-75.9	-85.1	0	0	0	109.5	C681 T697 Q698	C681-F693 HydrophobicContact CB-CD2 4.11Å; C681-F693 HydrophobicContact CB-CE2 3.67Å; C681-F693 HydrophobicContact CB-CZ 4.34Å; F693-T697 WeakPolarHBondContact CA-O 3.48Å; F693-Q698 HydrophobicContact CD1-CG 3.95Å; F693-Q698 HydrophobicContact CE1-CG 3.41Å; F693-Q698 VanDerWaalsContact CE1-CG 3.41Å; F693-Q698 HydrophobicContact CE2-CG 4.43Å; F693-Q698 HydrophobicContact CZ-CG 3.69Å
694	V	54.2	Low	65	Low	69 Å²	69	65.2 Å²	65.2	42%	0.418	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	100	165.7	176	0	0	0	0	106.6	R696 T697 V699 F707	V694-R696 PolarHBondContact O-N 2.94Å; V694-T697 PolarHBondContact N-O 2.84Å; V694-T697 PolarHBondContact O-N 2.89Å; V694-T697 PolarHBondContact O-OG1 2.83Å; V694-V699 HydrophobicContact CB-CG2 3.71Å; V694-V699 HydrophobicContact CG2-CG2 3.34Å; V694-F707 HydrophobicContact CG2-CE1 3.95Å
695	G	59.2	Low	65	Low	70 Å²	70	59.9 Å²	59.9	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-114.7	-161.9	0	0	0	0	0	110.3
696	R	47.9	Very low	64.9	Low	87 Å²	87	63.3 Å²	63.3	33%	0.328	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	6.1	179.4	-70.1	-177.4	169.1	167.1	-7.8	114	K374 E447 D449 V694	K374-R696 WeakPolarHBondContact CB-O 3.43Å; K374-R696 HydrophobicContact CD-CB 3.99Å; K374-R696 WeakPolarHBondContact CD-O 3.37Å; E447-R696 IonicContact OE1-NH1 2.65Å; E447-R696 PolarHBondContact OE1-NH1 2.75Å; E447-R696 VanDerWaalsContact OE1-NH1 3.12Å; E447-R696 IonicContact OE2-CZ 3.22Å; E447-R696 IonicContact OE2-NH1 2.88Å; E447-R696 PolarHBondContact OE2-NH1 2.8Å; D449-R696 IonicContact OD1-CZ 2.7Å; D449-R696 IonicContact OD1-NE 3.57Å; D449-R696 PolarHBondContact OD1-NE 3.5Å; D449-R696 IonicContact OD1-NH2 2.77Å; D449-R696 PolarHBondContact OD1-NH2 2.69Å; D449-R696 IonicContact OD2-CZ 3.75Å; D449-R696 IonicContact OD2-NH2 3.25Å; D449-R696 PolarHBondContact OD2-NH2 2.85Å; V694-R696 PolarHBondContact O-N 2.94Å
697	T	45.7	Very low	64.8	Low	40 Å²	40	67.9 Å²	67.9	25%	0.245	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.3	176.3	47.7	0	0	0	0	110.9	K374 F693 V694	K374-T697 HydrophobicContact CD-CG2 3.66Å; K374-T697 HydrophobicContact CG-CG2 4.22Å; F693-T697 WeakPolarHBondContact CA-O 3.48Å; V694-T697 PolarHBondContact N-O 2.84Å; V694-T697 PolarHBondContact O-N 2.89Å; V694-T697 PolarHBondContact O-OG1 2.83Å
698	Q	65.7	Low	64.7	Low	21 Å²	21	58.8 Å²	58.8	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.7	173.1	-62.1	-177.7	17.7	0	0	108.6	K683 F693	K683-Q698 HydrophobicContact CB-CB 4Å; K683-Q698 HydrophobicContact CD-CB 4.23Å; K683-Q698 WeakPolarHBondContact CD-O 3.49Å; K683-Q698 PolarHBondContact NZ-O 3.34Å; F693-Q698 HydrophobicContact CD1-CG 3.95Å; F693-Q698 HydrophobicContact CE1-CG 3.41Å; F693-Q698 VanDerWaalsContact CE1-CG 3.41Å; F693-Q698 HydrophobicContact CE2-CG 4.43Å; F693-Q698 HydrophobicContact CZ-CG 3.69Å
699	V	70.1	Confident	64.3	Low	30 Å²	30	61.7 Å²	61.7	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.6	180	-90.9	0	0	0	0	110.1	R692 V694 V701	R692-V699 PolarHBondContact N-O 2.84Å; R692-V699 PolarHBondContact O-N 3.16Å; V694-V699 HydrophobicContact CB-CG2 3.71Å; V694-V699 HydrophobicContact CG2-CG2 3.34Å; V699-V701 HydrophobicContact CB-CG2 4.5Å; V699-V701 HydrophobicContact CG2-CG2 4.28Å
700	C	73.3	Confident	63.7	Low	2 Å²	2	63.8 Å²	63.8	1%	0.014	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118	172.9	-62.2	0	0	0	0	107.9	C685 L708	C685-C700 WeakPolarHBondContact CA-SG 3.26Å; C685-C700 HydrophobicContact CB-CB 3.72Å; C685-C700 WeakPolarHBondContact CB-SG 3.2Å; C685-C700 WeakPolarHBondContact SG-CA 3.38Å; C685-C700 WeakPolarHBondContact SG-CB 3.43Å; C685-C700 CovalentContact SG-SG 2.03Å; C685-C700 PolarHBondContact SG-SG 2.87Å; C700-L708 HydrophobicContact CB-CB 4.16Å; C700-L708 HydrophobicContact CB-CD1 3.99Å; C700-L708 PolarHBondContact O-N 3.31Å
701	V	70.7	Confident	63.3	Low	15 Å²	15	62.7 Å²	62.7	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.7	-176.5	-170.9	0	0	0	0	108.8	S689 V690 R692 V699 Q706 F707	S689-V701 WeakPolarHBondContact CA-O 3.49Å; V690-V701 PolarHBondContact N-O 3.36Å; V690-V701 PolarHBondContact O-N 2.8Å; R692-V701 HydrophobicContact CB-CG2 4.1Å; V699-V701 HydrophobicContact CB-CG2 4.5Å; V699-V701 HydrophobicContact CG2-CG2 4.28Å; V701-Q706 WeakPolarHBondContact CA-O 3.26Å; V701-F707 HydrophobicContact CG2-CD1 4.03Å; V701-F707 HydrophobicContact CG2-CE1 4.15Å
702	C	75.7	Confident	63	Low	6 Å²	6	68.5 Å²	68.5	4%	0.041	39%	0.389	C	S	.	.			trans	-79.2	162.4	175.6	-67.2	0	0	0	0	111.7	D704 G705 Q706 C715	C702-D704 WeakPolarHBondContact CB-OD1 3.2Å; C702-D704 PolarHBondContact O-N 3.48Å; C702-D704 VanDerWaalsContact O-N 3.17Å; C702-G705 PolarHBondContact O-N 2.82Å; C702-Q706 HydrophobicContact CB-CB 4.42Å; C702-Q706 PolarHBondContact N-O 3.4Å; C702-C715 WeakPolarHBondContact CA-SG 3.26Å; C702-C715 HydrophobicContact CB-CB 3.66Å; C702-C715 WeakPolarHBondContact CB-SG 3.3Å; C702-C715 WeakPolarHBondContact SG-CA 3.49Å; C702-C715 WeakPolarHBondContact SG-CB 3.4Å; C702-C715 CovalentContact SG-SG 2.02Å; C702-C715 PolarHBondContact SG-SG 3.13Å
703	P	70.6	Confident	63.2	Low	120 Å²	120	64.4 Å²	64.4	78%	0.779	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	-176.6	-22.8	34.1	0	0	0	113.8	Q688 G705	Q688-P703 WeakPolarHBondContact O-CD 3.39Å; P703-G705 VanDerWaalsContact C-N 3.3Å
704	D	69.1	Low	63.8	Low	79 Å²	79	66.4 Å²	66.4	42%	0.422	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.2	175.3	62.2	-27.9	0	0	0	113.7	C702 Q706	C702-D704 WeakPolarHBondContact CB-OD1 3.2Å; C702-D704 PolarHBondContact O-N 3.48Å; C702-D704 VanDerWaalsContact O-N 3.17Å; D704-Q706 WeakPolarHBondContact OD2-CG 3.49Å
705	G	64.5	Low	64.4	Low	41 Å²	41	63.6 Å²	63.6	42%	0.423	38%	0.38	S	S	.	.	S	Bend	trans	87.8	4.9	178.8	0	0	0	0	0	115	C702 P703	C702-G705 PolarHBondContact O-N 2.82Å; P703-G705 VanDerWaalsContact C-N 3.3Å
706	Q	67.2	Low	64.6	Low	108 Å²	108	70 Å²	70	51%	0.505	38%	0.382	S	S	.	.			trans	-72.9	139.7	174.7	-78.6	-171.4	6.9	0	0	112.3	V701 C702 D704	V701-Q706 WeakPolarHBondContact CA-O 3.26Å; C702-Q706 HydrophobicContact CB-CB 4.42Å; C702-Q706 PolarHBondContact N-O 3.4Å; D704-Q706 WeakPolarHBondContact OD2-CG 3.49Å
707	F	70.9	Confident	64.7	Low	125 Å²	125	69.6 Å²	69.6	55%	0.548	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-84.6	132.1	175.4	-56.5	-70.6	0	0	0	110.8	V694 V701	V694-F707 HydrophobicContact CG2-CE1 3.95Å; V701-F707 HydrophobicContact CG2-CD1 4.03Å; V701-F707 HydrophobicContact CG2-CE1 4.15Å
708	L	67.4	Low	64.6	Low	22 Å²	22	74.2 Å²	74.2	12%	0.115	42%	0.42	C	S	.	.			trans	-88.6	115.9	172.3	-67.6	170.4	0	0	0	109.7	S689 C700 A710 S713	S689-L708 WeakPolarHBondContact OG-CD1 3.44Å; C700-L708 HydrophobicContact CB-CB 4.16Å; C700-L708 HydrophobicContact CB-CD1 3.99Å; C700-L708 PolarHBondContact O-N 3.31Å; L708-A710 VanDerWaalsContact C-N 3.26Å; L708-A710 PolarHBondContact O-N 3.35Å; L708-S713 WeakPolarHBondContact CB-OG 3.43Å; L708-S713 WeakPolarHBondContact CD1-O 3.34Å; L708-S713 WeakPolarHBondContact CD2-O 3.2Å; L708-S713 WeakPolarHBondContact CD2-OG 2.88Å
709	N	60.8	Low	63.1	Low	160 Å²	160	81.8 Å²	81.8	86%	0.856	46%	0.456	S	S	*	.	S	Bend	trans	-71.7	-17.6	179.5	-77.1	-10.7	0	0	0	113.2
710	A	58.9	Low	61.5	Low	56 Å²	56	86 Å²	86	46%	0.463	48%	0.484	S	S	.	.	S	Bend	trans	-138.3	146.2	178.9	0	0	0	0	0	111.5	L708 D712 S713	L708-A710 VanDerWaalsContact C-N 3.26Å; L708-A710 PolarHBondContact O-N 3.35Å; A710-D712 PolarHBondContact O-N 3.03Å; A710-D712 VanDerWaalsContact O-N 3.16Å; A710-S713 PolarHBondContact N-OG 3.18Å; A710-S713 PolarHBondContact O-N 3.03Å; A710-S713 PolarHBondContact O-OG 2.75Å
711	S	56.2	Low	59.5	Low	58 Å²	58	92 Å²	92	41%	0.406	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	179.4	37.9	0	0	0	0	114.1	T686	T686-S711 WeakPolarHBondContact CG2-O 3.1Å
712	D	59.6	Low	57.6	Low	149 Å²	149	96.2 Å²	96.2	80%	0.797	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-3.7	178.6	-67.2	-19.5	0	0	0	113.5	A710	A710-D712 PolarHBondContact O-N 3.03Å; A710-D712 VanDerWaalsContact O-N 3.16Å
713	S	64.1	Low	55.6	Low	38 Å²	38	103.4 Å²	103.4	27%	0.266	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-78.8	130.7	178.6	55.5	0	0	0	0	111.3	T686 L708 A710	T686-S713 WeakPolarHBondContact CG2-O 3.29Å; T686-S713 PolarHBondContact OG1-O 2.85Å; L708-S713 WeakPolarHBondContact CB-OG 3.43Å; L708-S713 WeakPolarHBondContact CD1-O 3.34Å; L708-S713 WeakPolarHBondContact CD2-O 3.2Å; L708-S713 WeakPolarHBondContact CD2-OG 2.88Å; A710-S713 PolarHBondContact N-OG 3.18Å; A710-S713 PolarHBondContact O-N 3.03Å; A710-S713 PolarHBondContact O-OG 2.75Å
714	T	67	Low	53.8	Low	99 Å²	99	105.6 Å²	105.6	61%	0.607	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-90.9	145.2	177.8	50.6	0	0	0	0	110.4	T686 R716	T686-T714 HydrophobicContact CG2-CG2 4.48Å; T714-R716 PolarHBondContact O-N 3.49Å
715	C	67.6	Low	52.2	Low	10 Å²	10	107 Å²	107	7%	0.068	61%	0.61	C	S	.	*	P	Polyproline II helix	trans	-58.5	134.2	171.3	-61.4	0	0	0	0	109.6	Q688 C702 A717	Q688-C715 VanDerWaalsContact C-SG 3.58Å; Q688-C715 HydrophobicContact CB-CB 3.99Å; Q688-C715 PolarHBondContact O-SG 3.49Å; Q688-C715 PolarHBondContact OE1-O 3.26Å; C702-C715 WeakPolarHBondContact CA-SG 3.26Å; C702-C715 HydrophobicContact CB-CB 3.66Å; C702-C715 WeakPolarHBondContact CB-SG 3.3Å; C702-C715 WeakPolarHBondContact SG-CA 3.49Å; C702-C715 WeakPolarHBondContact SG-CB 3.4Å; C702-C715 CovalentContact SG-SG 2.02Å; C702-C715 PolarHBondContact SG-SG 3.13Å; C715-A717 PolarHBondContact O-N 3.22Å
716	R	64.3	Low	50.6	Low	205 Å²	205	111.3 Å²	111.3	77%	0.774	63%	0.634	S	S	*	*			trans	-64.5	111.2	176.2	-144.3	174.2	-172.6	162.2	0.8	106.3	T714 D718	T714-R716 PolarHBondContact O-N 3.49Å; R716-D718 PolarHBondContact O-N 3.37Å
717	A	49.8	Very low	49.1	Very low	78 Å²	78	110 Å²	110	65%	0.645	65%	0.649	S	S	*	*			trans	-67.5	106.9	176.2	0	0	0	0	0	107.3	C715 E719	C715-A717 PolarHBondContact O-N 3.22Å; A717-E719 PolarHBondContact O-N 3.3Å; A717-E719 VanDerWaalsContact O-N 3.17Å
718	D	42.4	Very low	47.3	Very low	136 Å²	136	107.9 Å²	107.9	73%	0.727	66%	0.662	S	S	*	*			trans	-64.7	110.6	157.7	-81.4	-25.7	0	0	0	106.4	R716	R716-D718 PolarHBondContact O-N 3.37Å
719	E	34.8	Very low	46	Very low	181 Å²	181	116.7 Å²	116.7	85%	0.846	70%	0.7	S	S	*	*			trans	-49.9	128.7	164.2	-95.5	180	145.2	0	0	108.2	A717 S721	A717-E719 PolarHBondContact O-N 3.3Å; A717-E719 VanDerWaalsContact O-N 3.17Å; E719-S721 PolarHBondContact O-N 3.22Å
720	P	35.9	Very low	45.1	Very low	118 Å²	118	112.4 Å²	112.4	77%	0.766	69%	0.693	S	S	*	*			trans	-65.5	125.8	179.4	27.4	-30.6	0	0	0	108	S722	P720-S722 PolarHBondContact O-N 2.97Å
721	S	31.8	Very low	45	Very low	128 Å²	128	113.9 Å²	113.9	90%	0.895	69%	0.692	S	S	*	*			trans	-42.6	107.3	-179.2	-2	0	0	0	0	112.5	E719	E719-S721 PolarHBondContact O-N 3.22Å
722	S	31.8	Very low	45.1	Very low	104 Å²	104	114.8 Å²	114.8	73%	0.727	70%	0.695	S	S	*	*			trans	-119.3	97.8	155.2	63.3	0	0	0	0	109.1	P720	P720-S722 PolarHBondContact O-N 2.97Å
723	I	33.5	Very low	45.3	Very low	157 Å²	157	113 Å²	113	81%	0.805	70%	0.695	S	S	*	*			trans	41.7	109.4	132.6	-55.2	171.4	0	0	0	116.6
724	L	32.3	Very low	45.1	Very low	166 Å²	166	118.1 Å²	118.1	87%	0.869	72%	0.715	S	S	*	*			trans	71.9	138.4	151.3	-130.3	66	0	0	0	118.4
725	P	35.9	Very low	45	Very low	108 Å²	108	118.4 Å²	118.4	70%	0.701	71%	0.709	S	S	*	*			trans	-101.4	148.5	-155.5	37.3	-26.7	0	0	0	112.7
726	S	31	Very low	45.1	Very low	132 Å²	132	123.2 Å²	123.2	92%	0.923	73%	0.729	S	S	*	*			trans	174.5	134.5	139.3	29.5	0	0	0	0	112.4
727	G	34.3	Very low	45.6	Very low	81 Å²	81	118.6 Å²	118.6	84%	0.835	72%	0.719	S	S	*	*			trans	120.3	77.1	172.9	0	0	0	0	0	112.2
728	G	34.7	Very low	47	Very low	79 Å²	79	121.4 Å²	121.4	81%	0.814	72%	0.717	S	S	*	*				92.1	56.8	52.9	0	0	0	0	0	111.7
729	K	38.9	Very low	48.7	Very low	208 Å²	208	120 Å²	120	90%	0.904	71%	0.708	S	S	*	*			trans	-89.4	103.6	146.8	-83.7	-176	177.2	175.1	0	106.6	I731	K729-I731 PolarHBondContact O-N 3.23Å
730	G	41.5	Very low	51	Low	70 Å²	70	116.7 Å²	116.7	72%	0.722	70%	0.695	S	S	*	*			trans	-62.2	115.5	-172.9	0	0	0	0	0	111.9	T732	G730-T732 PolarHBondContact O-N 2.9Å
731	I	56.6	Low	53.5	Low	86 Å²	86	115.1 Å²	115.1	44%	0.441	68%	0.683	S	S	.	*			trans	-58.3	125.5	154.5	-59.7	169.1	0	0	0	106.2	K729 E735 K736	K729-I731 PolarHBondContact O-N 3.23Å; I731-E735 HydrophobicContact CG2-CB 3.43Å; I731-E735 VanDerWaalsContact CG2-CB 3.43Å; I731-K736 HydrophobicContact CB-CG 4.02Å; I731-K736 HydrophobicContact CG2-CG 3.57Å
732	T	59.8	Low	56	Low	77 Å²	77	114.1 Å²	114.1	47%	0.472	67%	0.667	S	S	.	*			trans	-61.1	149.5	-178.6	60.3	0	0	0	0	110.3	G730 Q734 E735 K736	G730-T732 PolarHBondContact O-N 2.9Å; T732-Q734 PolarHBondContact O-N 3.38Å; T732-E735 PolarHBondContact N-OE2 3.29Å; T732-E735 PolarHBondContact O-N 3.48Å; T732-E735 WeakPolarHBondContact OG1-CG 3.36Å; T732-E735 PolarHBondContact OG1-OE2 3.46Å; T732-K736 PolarHBondContact O-N 3.11Å
733	S	63.5	Low	58.6	Low	112 Å²	112	116 Å²	116	78%	0.783	66%	0.662	S	S	*	*	H	α-helix	trans	-56.9	-20.9	-177.9	-67.1	0	0	0	0	113.8
734	Q	60	Low	61.2	Low	146 Å²	146	110.9 Å²	110.9	68%	0.682	64%	0.643	S	S	*	*	H	α-helix	trans	-76.6	-39.9	175.9	-66.6	-96	-57.4	0	0	112.2	T732 L737 F738	T732-Q734 PolarHBondContact O-N 3.38Å; Q734-L737 PolarHBondContact O-N 3.49Å; Q734-F738 PolarHBondContact O-N 3.39Å; Q734-F738 VanDerWaalsContact O-N 3.13Å
735	E	64.1	Low	63.9	Low	104 Å²	104	110 Å²	110	49%	0.486	63%	0.633	S	S	.	*	H	α-helix	trans	-72.5	-34.3	-179.6	-71.3	165.3	147.6	0	0	112.1	I731 T732 F738 I739	I731-E735 HydrophobicContact CG2-CB 3.43Å; I731-E735 VanDerWaalsContact CG2-CB 3.43Å; T732-E735 PolarHBondContact N-OE2 3.29Å; T732-E735 PolarHBondContact O-N 3.48Å; T732-E735 WeakPolarHBondContact OG1-CG 3.36Å; T732-E735 PolarHBondContact OG1-OE2 3.46Å; E735-F738 PolarHBondContact O-N 2.04Å; E735-I739 WeakPolarHBondContact O-CG1 3.39Å; E735-I739 PolarHBondContact O-N 2.59Å; E735-I739 VanDerWaalsContact O-N 3.12Å
736	K	71	Confident	66.4	Low	112 Å²	112	107.2 Å²	107.2	49%	0.487	62%	0.616	S	S	.	*	H	α-helix	trans	-64.8	-40.1	172.7	-65.8	-171.1	-176.8	178.7	0	111.8	I731 T732 I739 I740	I731-K736 HydrophobicContact CB-CG 4.02Å; I731-K736 HydrophobicContact CG2-CG 3.57Å; T732-K736 PolarHBondContact O-N 3.11Å; K736-I739 PolarHBondContact O-N 2.8Å; K736-I740 WeakPolarHBondContact O-CD1 3.01Å; K736-I740 VanDerWaalsContact O-CG1 3.23Å; K736-I740 WeakPolarHBondContact O-CG1 3.3Å; K736-I740 PolarHBondContact O-N 3.31Å
737	L	75	Confident	69.3	Low	107 Å²	107	104.7 Å²	104.7	56%	0.56	60%	0.595	S	S	*	*	H	α-helix	trans	-64.4	-43	177.6	-169.1	73.5	0	0	0	110.9	Q734 I739 I740 V741	Q734-L737 PolarHBondContact O-N 3.49Å; L737-I739 PolarHBondContact O-N 2.96Å; L737-I740 PolarHBondContact O-N 2.93Å; L737-V741 HydrophobicContact CG-CG2 4.45Å; L737-V741 WeakPolarHBondContact O-CB 3.46Å; L737-V741 VanDerWaalsContact O-CG2 3.22Å; L737-V741 WeakPolarHBondContact O-CG2 3.08Å; L737-V741 PolarHBondContact O-N 2.59Å
738	F	77.5	Confident	72	Confident	138 Å²	138	104.9 Å²	104.9	61%	0.605	58%	0.58	S	S	*	*	H	α-helix	trans	-60.7	-45	177.2	-108.2	-84.9	0	0	0	112.7	Q734 E735 V741 I742	Q734-F738 PolarHBondContact O-N 3.39Å; Q734-F738 VanDerWaalsContact O-N 3.13Å; E735-F738 PolarHBondContact O-N 2.04Å; F738-V741 PolarHBondContact O-N 3.37Å; F738-I742 HydrophobicContact CD1-CD1 4.41Å; F738-I742 WeakPolarHBondContact O-CB 3.06Å; F738-I742 VanDerWaalsContact O-CG1 3.24Å; F738-I742 WeakPolarHBondContact O-CG1 3.41Å; F738-I742 PolarHBondContact O-N 3.01Å
739	I	79.1	Confident	74.7	Confident	105 Å²	105	104.2 Å²	104.2	54%	0.538	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-41.3	178.7	-65.5	169.1	0	0	0	110.9	E735 K736 L737 I742 F743	E735-I739 WeakPolarHBondContact O-CG1 3.39Å; E735-I739 PolarHBondContact O-N 2.59Å; E735-I739 VanDerWaalsContact O-N 3.12Å; K736-I739 PolarHBondContact O-N 2.8Å; L737-I739 PolarHBondContact O-N 2.96Å; I739-I742 PolarHBondContact O-N 3.21Å; I739-F743 WeakPolarHBondContact O-CB 3.39Å; I739-F743 PolarHBondContact O-N 2.89Å
740	I	83.5	Confident	77.2	Confident	112 Å²	112	98.7 Å²	98.7	57%	0.574	54%	0.543	S	S	*	.	H	α-helix	trans	-64.6	-41.7	177.1	-68.4	167.5	0	0	0	110.9	K736 L737 F743 A744	K736-I740 WeakPolarHBondContact O-CD1 3.01Å; K736-I740 VanDerWaalsContact O-CG1 3.23Å; K736-I740 WeakPolarHBondContact O-CG1 3.3Å; K736-I740 PolarHBondContact O-N 3.31Å; L737-I740 PolarHBondContact O-N 2.93Å; I740-F743 PolarHBondContact O-N 3.39Å; I740-A744 VanDerWaalsContact O-CB 3.25Å; I740-A744 WeakPolarHBondContact O-CB 3.29Å; I740-A744 PolarHBondContact O-N 2.9Å
741	V	86.8	Confident	79.6	Confident	85 Å²	85	98 Å²	98	52%	0.515	53%	0.53	S	S	.	.	H	α-helix	trans	-65.6	-43	177.7	171.2	0	0	0	0	111.1	L737 F738 A744 F745	L737-V741 HydrophobicContact CG-CG2 4.45Å; L737-V741 WeakPolarHBondContact O-CB 3.46Å; L737-V741 VanDerWaalsContact O-CG2 3.22Å; L737-V741 WeakPolarHBondContact O-CG2 3.08Å; L737-V741 PolarHBondContact O-N 2.59Å; F738-V741 PolarHBondContact O-N 3.37Å; V741-A744 PolarHBondContact O-N 3.25Å; V741-F745 VanDerWaalsContact O-CB 3.25Å; V741-F745 WeakPolarHBondContact O-CB 3.39Å; V741-F745 PolarHBondContact O-N 2.9Å
742	I	85.7	Confident	81.2	Confident	108 Å²	108	97.6 Å²	97.6	55%	0.554	53%	0.534	S	S	*	.	H	α-helix	trans	-63.3	-43.8	176.5	-69.2	166.1	0	0	0	110.5	F738 I739 F745 S746	F738-I742 HydrophobicContact CD1-CD1 4.41Å; F738-I742 WeakPolarHBondContact O-CB 3.06Å; F738-I742 VanDerWaalsContact O-CG1 3.24Å; F738-I742 WeakPolarHBondContact O-CG1 3.41Å; F738-I742 PolarHBondContact O-N 3.01Å; I739-I742 PolarHBondContact O-N 3.21Å; I742-F745 PolarHBondContact O-N 3.45Å; I742-S746 WeakPolarHBondContact O-CB 3.25Å; I742-S746 PolarHBondContact O-N 2.92Å
743	F	85.9	Confident	82.6	Confident	142 Å²	142	97.3 Å²	97.3	62%	0.623	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-45.8	179.4	-161.4	-96.9	0	0	0	111.2	I739 I740 F745 S746 V747	I739-F743 WeakPolarHBondContact O-CB 3.39Å; I739-F743 PolarHBondContact O-N 2.89Å; I740-F743 PolarHBondContact O-N 3.39Å; F743-F745 VanDerWaalsContact C-N 3.33Å; F743-F745 PolarHBondContact O-N 3.36Å; F743-S746 PolarHBondContact O-N 2.92Å; F743-S746 PolarHBondContact O-OG 2.84Å; F743-V747 HydrophobicContact CD1-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 4.02Å; F743-V747 WeakPolarHBondContact O-CG2 3.16Å; F743-V747 PolarHBondContact O-N 3.43Å
744	A	89.1	Confident	83.9	Confident	51 Å²	51	95.7 Å²	95.7	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-42.3	175.2	0	0	0	0	0	111.9	I740 V741 V747 V748	I740-A744 VanDerWaalsContact O-CB 3.25Å; I740-A744 WeakPolarHBondContact O-CB 3.29Å; I740-A744 PolarHBondContact O-N 2.9Å; V741-A744 PolarHBondContact O-N 3.25Å; A744-V747 PolarHBondContact O-N 3.43Å; A744-V748 VanDerWaalsContact O-CG2 3.32Å; A744-V748 WeakPolarHBondContact O-CG2 3.44Å; A744-V748 PolarHBondContact O-N 2.85Å
745	F	88.9	Confident	85.3	Confident	147 Å²	147	90.9 Å²	90.9	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-42.7	176	-170.2	-99.4	0	0	0	111.5	V741 I742 F743 V747 V748 V749	V741-F745 VanDerWaalsContact O-CB 3.25Å; V741-F745 WeakPolarHBondContact O-CB 3.39Å; V741-F745 PolarHBondContact O-N 2.9Å; I742-F745 PolarHBondContact O-N 3.45Å; F743-F745 VanDerWaalsContact C-N 3.33Å; F743-F745 PolarHBondContact O-N 3.36Å; F745-V747 VanDerWaalsContact C-N 3.34Å; F745-V747 PolarHBondContact O-N 2.76Å; F745-V748 PolarHBondContact O-N 3.45Å; F745-V749 HydrophobicContact CD1-CG2 3.9Å; F745-V749 HydrophobicContact CE1-CG2 3.6Å; F745-V749 HydrophobicContact CE2-CG2 4.5Å; F745-V749 HydrophobicContact CG-CG2 4.48Å; F745-V749 HydrophobicContact CZ-CG2 3.93Å; F745-V749 WeakPolarHBondContact O-CB 3.23Å; F745-V749 VanDerWaalsContact O-CG2 3.27Å; F745-V749 WeakPolarHBondContact O-CG2 3.31Å; F745-V749 PolarHBondContact O-N 3.28Å
746	S	86.9	Confident	86.5	Confident	50 Å²	50	92.1 Å²	92.1	35%	0.35	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-39.8	177.4	74.9	0	0	0	0	112.4	I742 F743 V749 V750	I742-S746 WeakPolarHBondContact O-CB 3.25Å; I742-S746 PolarHBondContact O-N 2.92Å; F743-S746 PolarHBondContact O-N 2.92Å; F743-S746 PolarHBondContact O-OG 2.84Å; S746-V749 PolarHBondContact O-N 3.28Å; S746-V750 WeakPolarHBondContact O-CB 3.49Å; S746-V750 VanDerWaalsContact O-CG2 3.25Å; S746-V750 WeakPolarHBondContact O-CG2 3.13Å; S746-V750 PolarHBondContact O-N 2.84Å
747	V	91.7	Very high	87.1	Confident	79 Å²	79	93.1 Å²	93.1	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-41.8	177.2	173.5	0	0	0	0	111.1	F743 A744 F745 V750 A751	F743-V747 HydrophobicContact CD1-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 4.02Å; F743-V747 WeakPolarHBondContact O-CG2 3.16Å; F743-V747 PolarHBondContact O-N 3.43Å; A744-V747 PolarHBondContact O-N 3.43Å; F745-V747 VanDerWaalsContact C-N 3.34Å; F745-V747 PolarHBondContact O-N 2.76Å; V747-V750 PolarHBondContact O-N 3.29Å; V747-A751 WeakPolarHBondContact O-CB 3.31Å; V747-A751 PolarHBondContact O-N 3.37Å
748	V	92.2	Very high	87.6	Confident	85 Å²	85	92.2 Å²	92.2	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.3	172.6	0	0	0	0	111	A744 F745 V750 A751 C752	A744-V748 VanDerWaalsContact O-CG2 3.32Å; A744-V748 WeakPolarHBondContact O-CG2 3.44Å; A744-V748 PolarHBondContact O-N 2.85Å; F745-V748 PolarHBondContact O-N 3.45Å; V748-V750 PolarHBondContact O-N 2.8Å; V748-A751 PolarHBondContact O-N 3.4Å; V748-C752 WeakPolarHBondContact O-CB 3.42Å; V748-C752 PolarHBondContact O-N 3.27Å; V748-C752 PolarHBondContact O-SG 3.05Å
749	V	91.1	Very high	87.8	Confident	64 Å²	64	90.3 Å²	90.3	39%	0.388	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-46	177.2	170.9	0	0	0	0	110.8	F745 S746 A751 C752 V753	F745-V749 HydrophobicContact CD1-CG2 3.9Å; F745-V749 HydrophobicContact CE1-CG2 3.6Å; F745-V749 HydrophobicContact CE2-CG2 4.5Å; F745-V749 HydrophobicContact CG-CG2 4.48Å; F745-V749 HydrophobicContact CZ-CG2 3.93Å; F745-V749 WeakPolarHBondContact O-CB 3.23Å; F745-V749 VanDerWaalsContact O-CG2 3.27Å; F745-V749 WeakPolarHBondContact O-CG2 3.31Å; F745-V749 PolarHBondContact O-N 3.28Å; S746-V749 PolarHBondContact O-N 3.28Å; V749-A751 PolarHBondContact O-N 2.79Å; V749-C752 PolarHBondContact O-N 2.81Å; V749-V753 HydrophobicContact CG1-CG2 4.45Å; V749-V753 VanDerWaalsContact O-CG2 3.26Å; V749-V753 WeakPolarHBondContact O-CG2 3.41Å; V749-V753 PolarHBondContact O-N 2.95Å
750	V	91.8	Very high	87.8	Confident	92 Å²	92	91.1 Å²	91.1	56%	0.558	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-43.3	177.2	172.9	0	0	0	0	111	S746 V747 V748 C752 V753 V754	S746-V750 WeakPolarHBondContact O-CB 3.49Å; S746-V750 VanDerWaalsContact O-CG2 3.25Å; S746-V750 WeakPolarHBondContact O-CG2 3.13Å; S746-V750 PolarHBondContact O-N 2.84Å; V747-V750 PolarHBondContact O-N 3.29Å; V748-V750 PolarHBondContact O-N 2.8Å; V750-C752 PolarHBondContact O-N 2.87Å; V750-V753 PolarHBondContact O-N 3.31Å; V750-V754 HydrophobicContact CG1-CG2 4.45Å; V750-V754 VanDerWaalsContact O-CG2 3.31Å; V750-V754 WeakPolarHBondContact O-CG2 3.44Å; V750-V754 PolarHBondContact O-N 3.09Å
751	A	91.8	Very high	87.4	Confident	55 Å²	55	94.8 Å²	94.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-41	176.6	0	0	0	0	0	112.4	V747 V748 V749 V754 A755	V747-A751 WeakPolarHBondContact O-CB 3.31Å; V747-A751 PolarHBondContact O-N 3.37Å; V748-A751 PolarHBondContact O-N 3.4Å; V749-A751 PolarHBondContact O-N 2.79Å; A751-V754 PolarHBondContact O-N 3.33Å; A751-A755 VanDerWaalsContact O-CB 3.28Å; A751-A755 WeakPolarHBondContact O-CB 3.47Å; A751-A755 PolarHBondContact O-N 3.5Å
752	C	90.1	Very high	86.8	Confident	78 Å²	78	99.7 Å²	99.7	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-41.1	175	-73.6	0	0	0	0	112	V748 V749 V750 A755 F756	V748-C752 WeakPolarHBondContact O-CB 3.42Å; V748-C752 PolarHBondContact O-N 3.27Å; V748-C752 PolarHBondContact O-SG 3.05Å; V749-C752 PolarHBondContact O-N 2.81Å; V750-C752 PolarHBondContact O-N 2.87Å; C752-A755 PolarHBondContact O-N 3.39Å; C752-F756 VanDerWaalsContact O-CB 3.24Å; C752-F756 WeakPolarHBondContact O-CB 3.39Å; C752-F756 PolarHBondContact O-N 2.72Å
753	V	89.7	Confident	86	Confident	72 Å²	72	101.4 Å²	101.4	44%	0.436	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-45.2	176.3	171.7	0	0	0	0	110.4	V749 V750 F756 F757	V749-V753 HydrophobicContact CG1-CG2 4.45Å; V749-V753 VanDerWaalsContact O-CG2 3.26Å; V749-V753 WeakPolarHBondContact O-CG2 3.41Å; V749-V753 PolarHBondContact O-N 2.95Å; V750-V753 PolarHBondContact O-N 3.31Å; V753-F756 WeakPolarHBondContact O-CB 3.12Å; V753-F756 PolarHBondContact O-N 2.93Å; V753-F757 HydrophobicContact CG1-CD2 3.72Å; V753-F757 HydrophobicContact CG1-CE2 3.65Å; V753-F757 VanDerWaalsContact O-CD2 3.23Å; V753-F757 WeakPolarHBondContact O-CD2 3.48Å; V753-F757 PolarHBondContact O-N 2.77Å
754	V	90.8	Very high	84.8	Confident	78 Å²	78	98 Å²	98	47%	0.473	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-45	176.9	172.9	0	0	0	0	111.2	V750 A751 F756 F757 I758	V750-V754 HydrophobicContact CG1-CG2 4.45Å; V750-V754 VanDerWaalsContact O-CG2 3.31Å; V750-V754 WeakPolarHBondContact O-CG2 3.44Å; V750-V754 PolarHBondContact O-N 3.09Å; A751-V754 PolarHBondContact O-N 3.33Å; V754-F756 VanDerWaalsContact C-N 3.33Å; V754-F756 PolarHBondContact O-N 3.09Å; V754-F757 PolarHBondContact O-N 2.89Å; V754-I758 HydrophobicContact CG1-CD1 3.87Å; V754-I758 HydrophobicContact CG1-CG1 4.49Å; V754-I758 VanDerWaalsContact O-CG1 3.31Å; V754-I758 WeakPolarHBondContact O-CG1 3.14Å; V754-I758 PolarHBondContact O-N 3.28Å
755	A	89	Confident	83.2	Confident	45 Å²	45	101.2 Å²	101.2	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-40.5	175.7	0	0	0	0	0	111.7	A751 C752 I758 I759	A751-A755 VanDerWaalsContact O-CB 3.28Å; A751-A755 WeakPolarHBondContact O-CB 3.47Å; A751-A755 PolarHBondContact O-N 3.5Å; C752-A755 PolarHBondContact O-N 3.39Å; A755-I758 PolarHBondContact O-N 3.07Å; A755-I759 WeakPolarHBondContact O-CB 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.26Å; A755-I759 WeakPolarHBondContact O-CG1 3.39Å; A755-I759 PolarHBondContact O-N 3.01Å
756	F	88.9	Confident	81.6	Confident	130 Å²	130	98.4 Å²	98.4	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-45.6	174.4	-178.1	-96.3	0	0	0	111.3	C752 V753 V754 I758 I759 F760	C752-F756 VanDerWaalsContact O-CB 3.24Å; C752-F756 WeakPolarHBondContact O-CB 3.39Å; C752-F756 PolarHBondContact O-N 2.72Å; V753-F756 WeakPolarHBondContact O-CB 3.12Å; V753-F756 PolarHBondContact O-N 2.93Å; V754-F756 VanDerWaalsContact C-N 3.33Å; V754-F756 PolarHBondContact O-N 3.09Å; F756-I758 VanDerWaalsContact C-N 3.35Å; F756-I758 PolarHBondContact O-N 3.38Å; F756-I759 PolarHBondContact O-N 2.88Å; F756-F760 HydrophobicContact CZ-CD2 4.49Å; F756-F760 WeakPolarHBondContact O-CB 3.48Å; F756-F760 PolarHBondContact O-N 3.02Å
757	F	83.7	Confident	79.9	Confident	132 Å²	132	106.1 Å²	106.1	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-63.4	-37.6	175.3	-86.2	-71.4	0	0	0	112.8	V753 V754 R761	V753-F757 HydrophobicContact CG1-CD2 3.72Å; V753-F757 HydrophobicContact CG1-CE2 3.65Å; V753-F757 VanDerWaalsContact O-CD2 3.23Å; V753-F757 WeakPolarHBondContact O-CD2 3.48Å; V753-F757 PolarHBondContact O-N 2.77Å; V754-F757 PolarHBondContact O-N 2.89Å; F757-R761 WeakPolarHBondContact O-CB 3.34Å; F757-R761 PolarHBondContact O-N 2.93Å
758	I	85.4	Confident	77.6	Confident	88 Å²	88	111.2 Å²	111.2	45%	0.451	56%	0.559	S	S	.	*	H	α-helix	trans	-67.9	-44.8	176.1	-67.3	167.8	0	0	0	110.9	V754 A755 F756 R761 R762	V754-I758 HydrophobicContact CG1-CD1 3.87Å; V754-I758 HydrophobicContact CG1-CG1 4.49Å; V754-I758 VanDerWaalsContact O-CG1 3.31Å; V754-I758 WeakPolarHBondContact O-CG1 3.14Å; V754-I758 PolarHBondContact O-N 3.28Å; A755-I758 PolarHBondContact O-N 3.07Å; F756-I758 VanDerWaalsContact C-N 3.35Å; F756-I758 PolarHBondContact O-N 3.38Å; I758-R761 PolarHBondContact O-N 3.46Å; I758-R762 WeakPolarHBondContact O-CB 3.23Å; I758-R762 WeakPolarHBondContact O-CG 3.32Å; I758-R762 PolarHBondContact O-N 3.13Å
759	I	82.8	Confident	75.2	Confident	98 Å²	98	112 Å²	112	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-41.2	177	-67	166.2	0	0	0	110.3	A755 F756 R762 K763	A755-I759 WeakPolarHBondContact O-CB 3.44Å; A755-I759 VanDerWaalsContact O-CG1 3.26Å; A755-I759 WeakPolarHBondContact O-CG1 3.39Å; A755-I759 PolarHBondContact O-N 3.01Å; F756-I759 PolarHBondContact O-N 2.88Å; I759-R762 PolarHBondContact O-N 2.79Å; I759-K763 HydrophobicContact CG2-CD 4.41Å; I759-K763 WeakPolarHBondContact O-CB 3.48Å; I759-K763 PolarHBondContact O-N 2.98Å
760	F	77.6	Confident	72.8	Confident	123 Å²	123	115.2 Å²	115.2	54%	0.539	58%	0.583	S	S	.	*	H	α-helix	trans	-63.3	-45.5	176.4	-169.5	-95.7	0	0	0	110.5	F756 R762 K763 C764	F756-F760 HydrophobicContact CZ-CD2 4.49Å; F756-F760 WeakPolarHBondContact O-CB 3.48Å; F756-F760 PolarHBondContact O-N 3.02Å; F760-R762 PolarHBondContact O-N 3.32Å; F760-K763 PolarHBondContact O-N 2.71Å; F760-C764 WeakPolarHBondContact O-CB 2.9Å; F760-C764 PolarHBondContact O-N 3.21Å
761	R	75.1	Confident	70.5	Confident	189 Å²	189	120.2 Å²	120.2	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-59.2	-46.4	171.3	-98.5	-171.3	167	-172.7	-2.1	111.8	F757 I758 C764 L765	F757-R761 WeakPolarHBondContact O-CB 3.34Å; F757-R761 PolarHBondContact O-N 2.93Å; I758-R761 PolarHBondContact O-N 3.46Å; R761-C764 PolarHBondContact O-N 3.42Å; R761-L765 VanDerWaalsContact O-CB 3.26Å; R761-L765 WeakPolarHBondContact O-CB 3.42Å; R761-L765 WeakPolarHBondContact O-CD1 3.38Å; R761-L765 WeakPolarHBondContact O-CG 3.45Å; R761-L765 PolarHBondContact O-N 2.77Å
762	R	74.7	Confident	67.6	Low	188 Å²	188	124.9 Å²	124.9	71%	0.709	61%	0.614	S	S	*	*	H	α-helix	trans	-63.9	-40.5	178.9	-80.4	-176	166.6	178.6	-3.1	112.5	I758 I759 F760 S766	I758-R762 WeakPolarHBondContact O-CB 3.23Å; I758-R762 WeakPolarHBondContact O-CG 3.32Å; I758-R762 PolarHBondContact O-N 3.13Å; I759-R762 PolarHBondContact O-N 2.79Å; F760-R762 PolarHBondContact O-N 3.32Å; R762-S766 WeakPolarHBondContact O-CB 3.43Å; R762-S766 PolarHBondContact O-N 2.95Å
763	K	69.2	Low	64.7	Low	144 Å²	144	124.7 Å²	124.7	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-71.1	-33.5	174.3	-83.6	-174.1	172.8	178.1	0	112.7	I759 F760 R767	I759-K763 HydrophobicContact CG2-CD 4.41Å; I759-K763 WeakPolarHBondContact O-CB 3.48Å; I759-K763 PolarHBondContact O-N 2.98Å; F760-K763 PolarHBondContact O-N 2.71Å; K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 WeakPolarHBondContact O-CG 3.5Å; K763-R767 PolarHBondContact O-N 2.97Å
764	C	61.1	Low	62	Low	70 Å²	70	129.5 Å²	129.5	47%	0.473	65%	0.648	S	S	.	*	H	α-helix	trans	-76.1	-30	177.2	-156.2	0	0	0	0	112.3	F760 R761	F760-C764 WeakPolarHBondContact O-CB 2.9Å; F760-C764 PolarHBondContact O-N 3.21Å; R761-C764 PolarHBondContact O-N 3.42Å
765	L	55	Low	59.1	Low	119 Å²	119	130 Å²	130	62%	0.623	66%	0.66	S	S	*	*	H	α-helix	trans	-78.3	-38.8	172.2	-71.6	164.5	0	0	0	111.6	R761 R767 K768	R761-L765 VanDerWaalsContact O-CB 3.26Å; R761-L765 WeakPolarHBondContact O-CB 3.42Å; R761-L765 WeakPolarHBondContact O-CD1 3.38Å; R761-L765 WeakPolarHBondContact O-CG 3.45Å; R761-L765 PolarHBondContact O-N 2.77Å; L765-R767 PolarHBondContact O-N 3.01Å; L765-K768 PolarHBondContact O-N 3.49Å
766	S	55.9	Low	56.3	Low	87 Å²	87	132.9 Å²	132.9	61%	0.608	67%	0.672	S	S	*	*	H	α-helix	trans	-69.7	-28.3	176.2	174.7	0	0	0	0	113.1	R762 K768	R762-S766 WeakPolarHBondContact O-CB 3.43Å; R762-S766 PolarHBondContact O-N 2.95Å; S766-K768 VanDerWaalsContact C-N 3.3Å; S766-K768 PolarHBondContact O-N 3.44Å
767	R	51.4	Low	53.4	Low	213 Å²	213	132.1 Å²	132.1	80%	0.804	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-4.9	171.7	-78.8	-177.7	175.7	178.7	-1.8	114.6	K763 L765	K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 WeakPolarHBondContact O-CG 3.5Å; K763-R767 PolarHBondContact O-N 2.97Å; L765-R767 PolarHBondContact O-N 3.01Å
768	K	42.8	Very low	50.8	Low	186 Å²	186	131.7 Å²	131.7	81%	0.809	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-0.8	178.7	-113.8	178.7	178.9	178.9	0	114	L765 S766	L765-K768 PolarHBondContact O-N 3.49Å; S766-K768 VanDerWaalsContact C-N 3.3Å; S766-K768 PolarHBondContact O-N 3.44Å
769	S	42.1	Very low	48.1	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	69%	0.694	S	S	*	*	S	Bend	trans	-102.8	-10.3	-179.6	-164.8	0	0	0	0	114.9
770	D	40.5	Very low	45.4	Very low	132 Å²	132	133.4 Å²	133.4	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-124.6	127.7	175.9	-76.8	-36.8	0	0	0	109.1
771	K	42.4	Very low	43.3	Very low	197 Å²	197	135.7 Å²	135.7	86%	0.857	72%	0.723	S	S	*	*	S	Bend	trans	100.7	55	-172.1	-55.9	-179.8	-177.8	-176.2	0	115.5
772	N	30.8	Very low	41.6	Very low	154 Å²	154	135.4 Å²	135.4	82%	0.824	73%	0.732	S	S	*	*				68.4	117.1	122.4	-58.3	-1.1	0	0	0	119.9
773	G	29.3	Very low	40.1	Very low	73 Å²	73	131.7 Å²	131.7	75%	0.753	73%	0.733	S	S	*	*				50.1	112.7	107	0	0	0	0	0	117.2
774	L	33.9	Very low	38.6	Very low	174 Å²	174	128.4 Å²	128.4	91%	0.911	72%	0.722	S	S	*	*			trans	82.5	99.4	157.1	-144.6	78.6	0	0	0	117.1
775	A	31	Very low	37.5	Very low	88 Å²	88	131 Å²	131	73%	0.727	73%	0.731	S	S	*	*			trans	67.3	139.9	138	0	0	0	0	0	118.9
776	V	29.5	Very low	36.9	Very low	105 Å²	105	133.5 Å²	133.5	64%	0.636	74%	0.739	S	S	*	*			cis	-176	143.3	3.4	128	0	0	0	0	104.7	A901	V776-A901 WeakPolarHBondContact O-CB 3.45Å
777	I	28.5	Very low	35.9	Very low	114 Å²	114	134.6 Å²	134.6	59%	0.585	74%	0.737	S	S	*	*			trans	83.3	121.3	156.2	-69.1	166.5	0	0	0	122.2	A901	I777-A901 WeakPolarHBondContact O-CB 3.33Å
778	N	28.3	Very low	35.2	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	73%	0.733	S	S	*	*			trans	66.3	108.6	142.4	-65	-4.1	0	0	0	127.3
779	T	28.4	Very low	34.8	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	73%	0.733	S	S	*	*				74	134.7	126.1	60.4	0	0	0	0	124.1
780	A	27.1	Very low	34.3	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	74%	0.74	S	S	*	*			trans	92.6	114.4	157.8	0	0	0	0	0	118.5
781	D	33.4	Very low	33.8	Very low	172 Å²	172	136.8 Å²	136.8	92%	0.92	75%	0.747	S	S	*	*			trans	176	99.9	133.1	-85	-17.5	0	0	0	111.4
782	M	37.8	Very low	33.3	Very low	182 Å²	182	134.7 Å²	134.7	90%	0.897	74%	0.738	S	S	*	*			trans	-130.8	134.4	162.4	-173.5	176.3	-79.6	0	0	108
783	P	44.4	Very low	33.4	Very low	111 Å²	111	135.2 Å²	135.2	72%	0.721	74%	0.735	S	S	*	*			trans	-79	154.2	-162.9	29	-33.1	0	0	0	115.5	D785	P783-D785 PolarHBondContact O-N 3.42Å
784	L	36.2	Very low	33.8	Very low	75 Å²	75	136.9 Å²	136.9	39%	0.393	73%	0.731	S	S	.	*	S	Bend	trans	-93	48	-159	-171.9	71.3	0	0	0	113.8	F832	L784-F832 HydrophobicContact CD1-CE1 3.79Å; L784-F832 HydrophobicContact CD1-CZ 3.65Å; L784-F832 HydrophobicContact CD2-CD1 3.83Å; L784-F832 HydrophobicContact CD2-CE1 3.32Å; L784-F832 HydrophobicContact CD2-CE2 4.32Å; L784-F832 HydrophobicContact CD2-CZ 3.59Å; L784-F832 HydrophobicContact CG-CE1 4.14Å; L784-F832 HydrophobicContact CG-CZ 4.27Å
785	D	38.6	Very low	33.6	Very low	125 Å²	125	137.4 Å²	137.4	67%	0.668	73%	0.729	S	S	*	*	S	Bend	trans	-117	-5.8	-179.2	70.9	-15.7	0	0	0	114.9	P783	P783-D785 PolarHBondContact O-N 3.42Å
786	Q	43.3	Very low	34.2	Very low	171 Å²	171	139.5 Å²	139.5	80%	0.799	72%	0.722	S	S	*	*	S	Bend	trans	-105.2	10.6	179.2	-68.6	-171.8	-3.5	0	0	115.3
787	L	34.5	Very low	34.6	Very low	109 Å²	109	138.6 Å²	138.6	57%	0.571	71%	0.713	S	S	*	*	S	Bend	trans	-105.6	2.4	-173.5	-114.1	137.1	0	0	0	115.5
788	F	36.5	Very low	35.4	Very low	161 Å²	161	138.5 Å²	138.5	71%	0.706	72%	0.72	S	S	*	*	S	Bend	trans	-100.2	4.4	-176.2	-79.1	-75.8	0	0	0	115.7
789	T	34.3	Very low	36.1	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	72%	0.724	S	S	*	*	S	Bend	trans	-114.5	10	-175	41.8	0	0	0	0	115.4
790	R	31	Very low	36.7	Very low	226 Å²	226	140.3 Å²	140.3	85%	0.853	71%	0.714	S	S	*	*	S	Bend	trans	-133.6	131.3	170	-85.3	-177.5	164.4	162.9	-4.3	111.1	F792	R790-F792 PolarHBondContact O-N 3.45Å
791	N	30.3	Very low	37.3	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	71%	0.706	S	S	*	*			trans	-31.3	115.7	179.4	-67.5	-21.5	0	0	0	113.9	H793	N791-H793 VanDerWaalsContact C-N 3.32Å; N791-H793 PolarHBondContact O-N 3.36Å
792	F	32.5	Very low	37.9	Very low	152 Å²	152	140.9 Å²	140.9	67%	0.667	69%	0.694	S	S	*	*			trans	-67.2	89.6	169.4	-105	-94.1	0	0	0	109.6	R790	R790-F792 PolarHBondContact O-N 3.45Å
793	H	31.9	Very low	37.8	Very low	165 Å²	165	139.1 Å²	139.1	76%	0.764	68%	0.682	S	S	*	*			trans	-74.4	122.6	138.6	-83.4	-94.9	0	0	0	106	N791 E795	N791-H793 VanDerWaalsContact C-N 3.32Å; N791-H793 PolarHBondContact O-N 3.36Å; H793-E795 PolarHBondContact O-N 2.9Å
794	T	37.8	Very low	37.5	Very low	108 Å²	108	136.7 Å²	136.7	66%	0.663	68%	0.677	S	S	*	*			trans	-66.9	86.8	168.5	49.6	0	0	0	0	108.3	F796	T794-F796 PolarHBondContact O-N 3.3Å
795	E	30.1	Very low	37.5	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67.5	116.5	160.9	-75.9	-175.5	168.3	0	0	107.3	H793	H793-E795 PolarHBondContact O-N 2.9Å
796	F	43.7	Very low	37.7	Very low	132 Å²	132	138.5 Å²	138.5	58%	0.579	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-60.1	141.6	177.8	-79.7	-97	0	0	0	110.1	T794 P798 L810	T794-F796 PolarHBondContact O-N 3.3Å; F796-P798 VanDerWaalsContact O-CD 3.29Å; F796-P798 WeakPolarHBondContact O-CD 3.26Å; F796-L810 HydrophobicContact CE1-CD1 3.62Å; F796-L810 HydrophobicContact CZ-CD1 3.5Å; F796-L810 VanDerWaalsContact CZ-CD1 3.5Å; F796-L810 HydrophobicContact CZ-CD2 4.15Å; F796-L810 HydrophobicContact CZ-CG 4.44Å
797	N	38.5	Very low	37.8	Very low	86 Å²	86	138.1 Å²	138.1	46%	0.46	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-61.9	119.9	169.5	179.6	-2.1	0	0	0	108.9	N799 Y800	N797-N799 PolarHBondContact O-N 2.9Å; N797-N799 PolarHBondContact OD1-N 3.3Å; N797-N799 VanDerWaalsContact OD1-N 3.13Å; N797-Y800 HydrophobicContact CB-CD2 3.88Å; N797-Y800 HydrophobicContact CB-CE2 4.04Å; N797-Y800 PolarHBondContact O-N 3.48Å
798	P	43.6	Very low	38.4	Very low	112 Å²	112	141.2 Å²	141.2	73%	0.727	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-13.7	-179.2	-20.9	31.6	0	0	0	114.3	F796 Y800	F796-P798 VanDerWaalsContact O-CD 3.29Å; F796-P798 WeakPolarHBondContact O-CD 3.26Å; P798-Y800 VanDerWaalsContact C-N 3.27Å; P798-Y800 PolarHBondContact O-N 2.83Å
799	N	43.6	Very low	39.2	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-6	174.4	-81.6	-16.5	0	0	0	114.6	N797 E801	N797-N799 PolarHBondContact O-N 2.9Å; N797-N799 PolarHBondContact OD1-N 3.3Å; N797-N799 VanDerWaalsContact OD1-N 3.13Å; N799-E801 PolarHBondContact O-N 3.48Å
800	Y	41.2	Very low	40	Very low	155 Å²	155	135.8 Å²	135.8	61%	0.608	69%	0.687	S	S	*	*			trans	-87.3	63.2	164.6	-65.4	-73.7	0	0	0	109.6	N797 P798 F802	N797-Y800 HydrophobicContact CB-CD2 3.88Å; N797-Y800 HydrophobicContact CB-CE2 4.04Å; N797-Y800 PolarHBondContact O-N 3.48Å; P798-Y800 VanDerWaalsContact C-N 3.27Å; P798-Y800 PolarHBondContact O-N 2.83Å; Y800-F802 PolarHBondContact O-N 3.29Å
801	E	40.5	Very low	41	Very low	120 Å²	120	134.2 Å²	134.2	56%	0.561	69%	0.686	S	S	*	*			trans	-67.1	121	164.1	-84.2	174.8	121.1	0	0	108.2	N799 F803	N799-E801 PolarHBondContact O-N 3.48Å; E801-F803 HydrophobicContact CB-CD2 3.27Å; E801-F803 HydrophobicContact CB-CE1 4.44Å; E801-F803 HydrophobicContact CB-CE2 3.22Å; E801-F803 HydrophobicContact CB-CG 3.98Å; E801-F803 HydrophobicContact CB-CZ 3.84Å; E801-F803 HydrophobicContact CG-CD2 4.28Å; E801-F803 HydrophobicContact CG-CE2 3.76Å; E801-F803 HydrophobicContact CG-CZ 3.97Å; E801-F803 PolarHBondContact O-N 2.83Å; E801-F803 WeakPolarHBondContact OE1-CZ 3.24Å; E801-F803 WeakPolarHBondContact OE2-CE2 3.28Å; E801-F803 WeakPolarHBondContact OE2-CZ 3.45Å
802	F	46.3	Very low	42	Very low	154 Å²	154	131.2 Å²	131.2	68%	0.675	67%	0.67	S	S	*	*			trans	-68.3	64.3	165.6	-69	-91.3	0	0	0	108.9	Y800 G804	Y800-F802 PolarHBondContact O-N 3.29Å; F802-G804 PolarHBondContact O-N 2.85Å; F802-G804 VanDerWaalsContact O-N 3.12Å
803	F	35.7	Very low	43	Very low	144 Å²	144	128.6 Å²	128.6	63%	0.632	66%	0.662	S	S	*	*			trans	-71.6	109.8	174.7	-77.9	-63	0	0	0	109.6	E801	E801-F803 HydrophobicContact CB-CD2 3.27Å; E801-F803 HydrophobicContact CB-CE1 4.44Å; E801-F803 HydrophobicContact CB-CE2 3.22Å; E801-F803 HydrophobicContact CB-CG 3.98Å; E801-F803 HydrophobicContact CB-CZ 3.84Å; E801-F803 HydrophobicContact CG-CD2 4.28Å; E801-F803 HydrophobicContact CG-CE2 3.76Å; E801-F803 HydrophobicContact CG-CZ 3.97Å; E801-F803 PolarHBondContact O-N 2.83Å; E801-F803 WeakPolarHBondContact OE1-CZ 3.24Å; E801-F803 WeakPolarHBondContact OE2-CE2 3.28Å; E801-F803 WeakPolarHBondContact OE2-CZ 3.45Å
804	G	37.9	Very low	44.1	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	67%	0.667	S	S	*	*	S	Bend	trans	127.1	107.6	169.8	0	0	0	0	0	111.7	F802 G806	F802-G804 PolarHBondContact O-N 2.85Å; F802-G804 VanDerWaalsContact O-N 3.12Å; G804-G806 PolarHBondContact O-N 3.48Å
805	N	35.2	Very low	45.1	Very low	182 Å²	182	133.8 Å²	133.8	97%	0.973	68%	0.676	S	S	*	*	S	Bend	trans	-20.1	109	167.8	-70.7	-11.4	0	0	0	113.9
806	G	43	Very low	46.9	Very low	55 Å²	55	128.2 Å²	128.2	57%	0.567	65%	0.652	S	S	*	*			trans	168.8	128.6	170	0	0	0	0	0	114.6	G804 Y808	G804-G806 PolarHBondContact O-N 3.48Å; G806-Y808 PolarHBondContact O-N 3.13Å
807	D	44.8	Very low	47.8	Very low	164 Å²	164	125 Å²	125	88%	0.877	64%	0.644	S	S	*	*			trans	-62.7	83.2	-177.5	-67.9	-43.9	0	0	0	114.8
808	Y	48.7	Very low	49	Very low	174 Å²	174	129.1 Å²	129.1	68%	0.682	65%	0.653	S	S	*	*			trans	-132.9	131.2	170.6	-59.6	-79	0	0	0	112.3	G806 D812	G806-Y808 PolarHBondContact O-N 3.13Å; Y808-D812 HydrophobicContact CD1-CB 4.43Å
809	S	53	Low	50.2	Low	62 Å²	62	128.8 Å²	128.8	43%	0.434	65%	0.652	S	S	.	*			trans	-112.1	165.5	-179.8	77.8	0	0	0	0	111	K811 D812	S809-K811 PolarHBondContact O-N 2.99Å; S809-K811 PolarHBondContact OG-N 3.38Å; S809-D812 PolarHBondContact N-OD2 3.12Å; S809-D812 WeakPolarHBondContact O-CB 3.26Å; S809-D812 PolarHBondContact O-N 2.94Å; S809-D812 PolarHBondContact OG-OD2 2.93Å
810	L	50	Low	51.7	Low	116 Å²	116	122.9 Å²	122.9	61%	0.607	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-54.7	-18.7	177.9	-153	81.5	0	0	0	114	F796 D812	F796-L810 HydrophobicContact CE1-CD1 3.62Å; F796-L810 HydrophobicContact CZ-CD1 3.5Å; F796-L810 VanDerWaalsContact CZ-CD1 3.5Å; F796-L810 HydrophobicContact CZ-CD2 4.15Å; F796-L810 HydrophobicContact CZ-CG 4.44Å; L810-D812 VanDerWaalsContact C-N 3.27Å; L810-D812 PolarHBondContact O-N 3.22Å
811	K	52.7	Low	53.3	Low	193 Å²	193	117.5 Å²	117.5	84%	0.839	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-75.8	-13.1	178.9	-62.7	179.8	178.7	177.8	0	113.6	S809	S809-K811 PolarHBondContact O-N 2.99Å; S809-K811 PolarHBondContact OG-N 3.38Å
812	D	51.6	Low	55.2	Low	96 Å²	96	116 Å²	116	51%	0.513	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-92.5	-4.6	-173.5	-56	-48	0	0	0	113.3	Y808 S809 L810 K814	Y808-D812 HydrophobicContact CD1-CB 4.43Å; S809-D812 PolarHBondContact N-OD2 3.12Å; S809-D812 WeakPolarHBondContact O-CB 3.26Å; S809-D812 PolarHBondContact O-N 2.94Å; S809-D812 PolarHBondContact OG-OD2 2.93Å; L810-D812 VanDerWaalsContact C-N 3.27Å; L810-D812 PolarHBondContact O-N 3.22Å; D812-K814 PolarHBondContact O-N 3.47Å
813	L	53.4	Low	56.8	Low	98 Å²	98	111.8 Å²	111.8	51%	0.513	58%	0.584	S	S	.	*			trans	-80.4	110.8	172.2	-77	150.2	0	0	0	110
814	K	54.7	Low	58.9	Low	200 Å²	200	108.4 Å²	108.4	87%	0.87	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-80.4	132.8	173.5	-72	-176.8	-180	178.3	0	111.1	D812	D812-K814 PolarHBondContact O-N 3.47Å
815	E	59.5	Low	60.8	Low	181 Å²	181	112.8 Å²	112.8	85%	0.846	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-68.8	137.9	173.3	-170.1	177.7	175.9	0	0	111
816	I	67.2	Low	62.7	Low	70 Å²	70	107.3 Å²	107.3	36%	0.359	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-91	123.4	178.3	-67.2	170.9	0	0	0	109.6	C820 V821 L840 L843	I816-C820 HydrophobicContact CG2-CB 4.26Å; I816-V821 HydrophobicContact CG2-CG2 4Å; I816-L840 HydrophobicContact CD1-CD1 4.25Å; I816-L840 HydrophobicContact CD1-CD2 4.25Å; I816-L840 HydrophobicContact CG2-CD2 3.71Å; I816-L843 HydrophobicContact CG1-CD1 4.29Å; I816-L843 HydrophobicContact CG2-CD1 3.9Å
817	P	63.6	Low	64.2	Low	63 Å²	63	109 Å²	109	41%	0.409	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.3	176.1	-21.7	32.7	0	0	0	112.6	C819 C820	P817-C819 PolarHBondContact O-N 3.41Å; P817-C820 WeakPolarHBondContact O-CB 3.48Å; P817-C820 PolarHBondContact O-N 3.48Å
818	R	63.2	Low	65.7	Low	173 Å²	173	103 Å²	103	65%	0.653	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-59	-32.5	-177.3	-62	-177.3	-175	-159.6	-4.8	114	C820 V821 T871	R818-C820 PolarHBondContact O-N 2.81Å; R818-V821 PolarHBondContact O-N 2.89Å; R818-T871 PolarHBondContact NH2-O 3.24Å
819	C	69	Low	66.6	Low	106 Å²	106	102.2 Å²	102.2	72%	0.716	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-66.2	-16	178.2	53.6	0	0	0	0	113.2	P817	P817-C819 PolarHBondContact O-N 3.41Å
820	C	73.6	Confident	67	Low	14 Å²	14	101.3 Å²	101.3	10%	0.095	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-91.7	4.2	179.8	-62.9	0	0	0	0	113.5	I816 P817 R818 L840 I841 L843	I816-C820 HydrophobicContact CG2-CB 4.26Å; P817-C820 WeakPolarHBondContact O-CB 3.48Å; P817-C820 PolarHBondContact O-N 3.48Å; R818-C820 PolarHBondContact O-N 2.81Å; C820-L840 HydrophobicContact CB-CD2 4.41Å; C820-L840 CarbonylContact O-C 3.51Å; C820-L840 VanDerWaalsContact O-CA 3.29Å; C820-L840 WeakPolarHBondContact O-CA 3.49Å; C820-L840 VanDerWaalsContact O-CD2 3.27Å; C820-L840 WeakPolarHBondContact O-CD2 3.48Å; C820-I841 WeakPolarHBondContact CA-O 3.36Å; C820-I841 WeakPolarHBondContact CB-O 3.25Å; C820-I841 PolarHBondContact O-N 2.92Å; C820-L843 HydrophobicContact CB-CD1 4.16Å; C820-L843 HydrophobicContact CB-CG 4Å
821	V	76.8	Confident	67.1	Low	42 Å²	42	100 Å²	100	26%	0.255	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.5	180	-179.6	0	0	0	0	110	I816 R818 L823 L840 V852 V854	I816-V821 HydrophobicContact CG2-CG2 4Å; R818-V821 PolarHBondContact O-N 2.89Å; V821-L823 HydrophobicContact CG1-CD2 4.45Å; V821-L840 HydrophobicContact CG2-CD2 3.88Å; V821-V852 HydrophobicContact CG1-CG2 4.19Å; V821-V854 HydrophobicContact CG1-CG2 3.65Å
822	I	78.4	Confident	67.3	Low	87 Å²	87	96.4 Å²	96.4	45%	0.446	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.4	172	-64.9	176.4	0	0	0	108.8	G838 T839 I841	I822-G838 CarbonylContact O-C 3.47Å; I822-G838 VanDerWaalsContact O-C 3.26Å; I822-G838 WeakPolarHBondContact O-CA 3.38Å; I822-T839 PolarHBondContact N-O 3.42Å; I822-T839 PolarHBondContact O-N 3.1Å; I822-I841 HydrophobicContact CD1-CD1 3.37Å; I822-I841 HydrophobicContact CD1-CG1 3.94Å; I822-I841 HydrophobicContact CD1-CG2 4.48Å; I822-I841 HydrophobicContact CG1-CD1 3.89Å; I822-I841 HydrophobicContact CG1-CG1 4.1Å
823	L	80.6	Confident	68.1	Low	66 Å²	66	93 Å²	93	35%	0.346	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.8	173	-56.8	-178.9	0	0	0	109.8	V821 F836 E837 V854	V821-L823 HydrophobicContact CG1-CD2 4.45Å; L823-F836 HydrophobicContact CB-CB 4.38Å; L823-F836 HydrophobicContact CB-CD1 4.39Å; L823-F836 HydrophobicContact CD1-CB 4.34Å; L823-F836 HydrophobicContact CD1-CD1 4.28Å; L823-F836 HydrophobicContact CD1-CD2 4.35Å; L823-F836 HydrophobicContact CD1-CG 4.08Å; L823-F836 HydrophobicContact CD2-CB 3.78Å; L823-F836 HydrophobicContact CD2-CG 4.41Å; L823-F836 HydrophobicContact CG-CB 4.39Å; L823-E837 CarbonylContact C-O 3.52Å; L823-V854 HydrophobicContact CD2-CB 3.61Å; L823-V854 HydrophobicContact CD2-CG1 3.66Å; L823-V854 HydrophobicContact CD2-CG2 3.73Å
824	T	79.5	Confident	69.2	Low	74 Å²	74	91.7 Å²	91.7	45%	0.454	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-46.1	-178.2	53	0	0	0	0	112.4	E837 T839	T824-E837 PolarHBondContact N-O 2.89Å; T824-E837 VanDerWaalsContact OG1-C 3.25Å; T824-E837 WeakPolarHBondContact OG1-CB 3.36Å; T824-E837 WeakPolarHBondContact OG1-CG 3.16Å; T824-E837 PolarHBondContact OG1-O 3.3Å; T824-E837 VanDerWaalsContact OG1-O 3.05Å; T824-T839 WeakPolarHBondContact CG2-OG1 3.49Å
825	R	77.9	Confident	70.4	Confident	152 Å²	152	84 Å²	84	57%	0.574	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.3	142.8	-174.2	172.3	171.8	65.4	148.1	-2	111.9	L827 F836 E837	R825-L827 PolarHBondContact O-N 2.92Å; R825-F836 CarbonylContact O-C 3.6Å; R825-F836 VanDerWaalsContact O-CA 3.3Å; R825-F836 WeakPolarHBondContact O-CA 3.37Å; R825-E837 HydrophobicContact CB-CB 4.24Å; R825-E837 IonicContact CZ-OE2 2.77Å; R825-E837 VanDerWaalsContact CZ-OE2 3.31Å; R825-E837 PolarHBondContact N-O 3Å; R825-E837 IonicContact NE-OE2 2.59Å; R825-E837 PolarHBondContact NE-OE2 3.27Å; R825-E837 IonicContact NH2-OE2 2.77Å; R825-E837 PolarHBondContact NH2-OE2 3.07Å; R825-E837 WeakPolarHBondContact O-CB 3.28Å; R825-E837 PolarHBondContact O-N 3.47Å
826	A	75.8	Confident	71.3	Confident	68 Å²	68	77.1 Å²	77.1	56%	0.562	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.8	168	0	0	0	0	0	110.2	F836	A826-F836 HydrophobicContact CB-CD1 4.01Å; A826-F836 HydrophobicContact CB-CE1 3.79Å; A826-F836 HydrophobicContact CB-CZ 4.4Å
827	L	73.8	Confident	72	Confident	91 Å²	91	76.4 Å²	76.4	48%	0.476	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-27.2	178.7	-69.4	173.7	0	0	0	112.5	R825 V835 E837	R825-L827 PolarHBondContact O-N 2.92Å; L827-V835 PolarHBondContact N-O 3.39Å; L827-E837 HydrophobicContact CD1-CB 3.76Å; L827-E837 HydrophobicContact CD1-CG 4.41Å; L827-E837 HydrophobicContact CD2-CB 3.96Å; L827-E837 HydrophobicContact CG-CB 3.73Å
828	G	76	Confident	72.9	Confident	38 Å²	38	73.4 Å²	73.4	39%	0.392	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.5	177.3	174.6	0	0	0	0	0	113.7	V835	G828-V835 PolarHBondContact N-O 2.86Å; G828-V835 PolarHBondContact O-N 2.88Å
829	Q	68.4	Low	73.8	Confident	156 Å²	156	66.7 Å²	66.7	73%	0.729	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.5	172.1	-80.1	177.3	-9.8	0	0	109.3	E834	Q829-E834 HydrophobicContact CG-CG 3.6Å; Q829-E834 PolarHBondContact NE2-OE1 3.22Å
830	G	61.4	Low	74.1	Confident	44 Å²	44	62.3 Å²	62.3	45%	0.454	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	175.5	171.5	0	0	0	0	0	111.5	F832 G833	G830-F832 PolarHBondContact O-N 2.85Å; G830-G833 PolarHBondContact N-O 3.35Å; G830-G833 PolarHBondContact O-N 3.33Å; G830-G833 VanDerWaalsContact O-N 3.09Å
831	A	52.9	Low	74.2	Confident	89 Å²	89	64.8 Å²	64.8	74%	0.736	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-1.4	-176	0	0	0	0	0	116.4
832	F	57.2	Low	73.6	Confident	116 Å²	116	65.7 Å²	65.7	51%	0.509	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	20.6	-177.1	-64.3	-86.4	0	0	0	113	L784 G830 K855	L784-F832 HydrophobicContact CD1-CE1 3.79Å; L784-F832 HydrophobicContact CD1-CZ 3.65Å; L784-F832 HydrophobicContact CD2-CD1 3.83Å; L784-F832 HydrophobicContact CD2-CE1 3.32Å; L784-F832 HydrophobicContact CD2-CE2 4.32Å; L784-F832 HydrophobicContact CD2-CZ 3.59Å; L784-F832 HydrophobicContact CG-CE1 4.14Å; L784-F832 HydrophobicContact CG-CZ 4.27Å; G830-F832 PolarHBondContact O-N 2.85Å; F832-K855 VanDerWaalsContact CB-NZ 3.33Å
833	G	68.4	Low	72.7	Confident	26 Å²	26	65 Å²	65	27%	0.268	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-174.6	175.7	0	0	0	0	0	114.9	G830	G830-G833 PolarHBondContact N-O 3.35Å; G830-G833 PolarHBondContact O-N 3.33Å; G830-G833 VanDerWaalsContact O-N 3.09Å
834	E	76.4	Confident	71.5	Confident	70 Å²	70	65.7 Å²	65.7	33%	0.327	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.3	-178	-69.3	176.1	158.3	0	0	111.2	Q829 F836 R856	Q829-E834 HydrophobicContact CG-CG 3.6Å; Q829-E834 PolarHBondContact NE2-OE1 3.22Å; E834-F836 HydrophobicContact CB-CD2 4.35Å; E834-F836 HydrophobicContact CB-CE2 3.72Å; E834-R856 PolarHBondContact O-N 3.05Å
835	V	78.3	Confident	70.3	Confident	38 Å²	38	67.1 Å²	67.1	23%	0.23	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.4	173.9	-174.8	0	0	0	0	108.8	L827 G828 A853 V854 K855	L827-V835 PolarHBondContact N-O 3.39Å; G828-V835 PolarHBondContact N-O 2.86Å; G828-V835 PolarHBondContact O-N 2.88Å; V835-A853 HydrophobicContact CG1-CB 4.35Å; V835-V854 WeakPolarHBondContact CA-O 3.5Å; V835-K855 HydrophobicContact CG2-CB 4.33Å; V835-K855 HydrophobicContact CG2-CG 4.16Å
836	F	79.4	Confident	69.3	Low	36 Å²	36	67.3 Å²	67.3	16%	0.158	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.6	175.3	-70.4	-98.2	0	0	0	109.7	L823 R825 A826 E834 A853 V854	L823-F836 HydrophobicContact CB-CB 4.38Å; L823-F836 HydrophobicContact CB-CD1 4.39Å; L823-F836 HydrophobicContact CD1-CB 4.34Å; L823-F836 HydrophobicContact CD1-CD1 4.28Å; L823-F836 HydrophobicContact CD1-CD2 4.35Å; L823-F836 HydrophobicContact CD1-CG 4.08Å; L823-F836 HydrophobicContact CD2-CB 3.78Å; L823-F836 HydrophobicContact CD2-CG 4.41Å; L823-F836 HydrophobicContact CG-CB 4.39Å; R825-F836 CarbonylContact O-C 3.6Å; R825-F836 VanDerWaalsContact O-CA 3.3Å; R825-F836 WeakPolarHBondContact O-CA 3.37Å; A826-F836 HydrophobicContact CB-CD1 4.01Å; A826-F836 HydrophobicContact CB-CE1 3.79Å; A826-F836 HydrophobicContact CB-CZ 4.4Å; E834-F836 HydrophobicContact CB-CD2 4.35Å; E834-F836 HydrophobicContact CB-CE2 3.72Å; F836-A853 CarbonylContact O-C 3.57Å; F836-A853 WeakPolarHBondContact O-CA 3.38Å; F836-V854 PolarHBondContact N-O 3.39Å; F836-V854 PolarHBondContact O-N 3.13Å
837	E	81.7	Confident	68.5	Low	56 Å²	56	67.7 Å²	67.7	26%	0.262	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.2	154.4	-162.6	171	-174.8	0	0	106.9	L823 T824 R825 L827 V852	L823-E837 CarbonylContact C-O 3.52Å; T824-E837 PolarHBondContact N-O 2.89Å; T824-E837 VanDerWaalsContact OG1-C 3.25Å; T824-E837 WeakPolarHBondContact OG1-CB 3.36Å; T824-E837 WeakPolarHBondContact OG1-CG 3.16Å; T824-E837 PolarHBondContact OG1-O 3.3Å; T824-E837 VanDerWaalsContact OG1-O 3.05Å; R825-E837 HydrophobicContact CB-CB 4.24Å; R825-E837 IonicContact CZ-OE2 2.77Å; R825-E837 VanDerWaalsContact CZ-OE2 3.31Å; R825-E837 PolarHBondContact N-O 3Å; R825-E837 IonicContact NE-OE2 2.59Å; R825-E837 PolarHBondContact NE-OE2 3.27Å; R825-E837 IonicContact NH2-OE2 2.77Å; R825-E837 PolarHBondContact NH2-OE2 3.07Å; R825-E837 WeakPolarHBondContact O-CB 3.28Å; R825-E837 PolarHBondContact O-N 3.47Å; L827-E837 HydrophobicContact CD1-CB 3.76Å; L827-E837 HydrophobicContact CD1-CG 4.41Å; L827-E837 HydrophobicContact CD2-CB 3.96Å; L827-E837 HydrophobicContact CG-CB 3.73Å; E837-V852 CarbonylContact C-O 3.57Å
838	G	83	Confident	68	Low	0 Å²	0	67.6 Å²	67.6	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	174	173.5	0	0	0	0	0	111.2	I822 P851 V852	I822-G838 CarbonylContact O-C 3.47Å; I822-G838 VanDerWaalsContact O-C 3.26Å; I822-G838 WeakPolarHBondContact O-CA 3.38Å; G838-P851 CarbonylContact O-C 3.57Å; G838-P851 WeakPolarHBondContact O-CA 3.36Å; G838-V852 PolarHBondContact N-O 3.43Å; G838-V852 WeakPolarHBondContact O-CG2 3.32Å; G838-V852 PolarHBondContact O-N 3.49Å
839	T	81.2	Confident	67.6	Low	32 Å²	32	68 Å²	68	20%	0.196	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.3	-179.6	-54	0	0	0	0	108.5	I822 T824 G849 L850	I822-T839 PolarHBondContact N-O 3.42Å; I822-T839 PolarHBondContact O-N 3.1Å; T824-T839 WeakPolarHBondContact CG2-OG1 3.49Å; T839-G849 VanDerWaalsContact CG2-C 3.44Å; T839-L850 WeakPolarHBondContact CA-O 3.24Å
840	L	76.6	Confident	67.8	Low	14 Å²	14	64 Å²	64	7%	0.073	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.4	173.4	-89.6	164.1	0	0	0	110.5	I816 C820 V821 L843 G849 L850 V852	I816-L840 HydrophobicContact CD1-CD1 4.25Å; I816-L840 HydrophobicContact CD1-CD2 4.25Å; I816-L840 HydrophobicContact CG2-CD2 3.71Å; C820-L840 HydrophobicContact CB-CD2 4.41Å; C820-L840 CarbonylContact O-C 3.51Å; C820-L840 VanDerWaalsContact O-CA 3.29Å; C820-L840 WeakPolarHBondContact O-CA 3.49Å; C820-L840 VanDerWaalsContact O-CD2 3.27Å; C820-L840 WeakPolarHBondContact O-CD2 3.48Å; V821-L840 HydrophobicContact CG2-CD2 3.88Å; L840-L843 HydrophobicContact CD2-CD1 3.41Å; L840-L843 VanDerWaalsContact CD2-CD1 3.41Å; L840-G849 PolarHBondContact O-N 3.06Å; L840-L850 HydrophobicContact CB-CB 4.4Å; L840-L850 HydrophobicContact CD1-CD2 4.44Å; L840-L850 PolarHBondContact N-O 3.44Å; L840-V852 HydrophobicContact CD1-CG1 3.4Å; L840-V852 VanDerWaalsContact CD1-CG1 3.4Å; L840-V852 HydrophobicContact CG-CG1 3.81Å; L840-V852 HydrophobicContact CG-CG2 4.39Å
841	I	73.8	Confident	68.5	Low	65 Å²	65	66 Å²	66	33%	0.333	40%	0.404	S	S	.	.			trans	-140.5	147	175.4	55.8	152.4	0	0	0	111.1	C820 I822 D848	C820-I841 WeakPolarHBondContact CA-O 3.36Å; C820-I841 WeakPolarHBondContact CB-O 3.25Å; C820-I841 PolarHBondContact O-N 2.92Å; I822-I841 HydrophobicContact CD1-CD1 3.37Å; I822-I841 HydrophobicContact CD1-CG1 3.94Å; I822-I841 HydrophobicContact CD1-CG2 4.48Å; I822-I841 HydrophobicContact CG1-CD1 3.89Å; I822-I841 HydrophobicContact CG1-CG1 4.1Å; I841-D848 WeakPolarHBondContact CA-OD1 3.25Å
842	G	64.7	Low	69.9	Low	61 Å²	61	63.6 Å²	63.6	63%	0.629	38%	0.38	S	S	*	.	S	Bend	trans	79.8	14.8	169.1	0	0	0	0	0	116	D848	G842-D848 PolarHBondContact N-OD1 3.27Å
843	L	59.9	Low	70.9	Confident	73 Å²	73	61.6 Å²	61.6	38%	0.382	39%	0.385	S	S	.	.	S	Bend	trans	-95.7	-27.8	176.3	-75.8	164.4	0	0	0	113.7	I816 C820 L840	I816-L843 HydrophobicContact CG1-CD1 4.29Å; I816-L843 HydrophobicContact CG2-CD1 3.9Å; C820-L843 HydrophobicContact CB-CD1 4.16Å; C820-L843 HydrophobicContact CB-CG 4Å; L840-L843 HydrophobicContact CD2-CD1 3.41Å; L840-L843 VanDerWaalsContact CD2-CD1 3.41Å
844	C	56	Low	71.4	Confident	80 Å²	80	61.4 Å²	61.4	54%	0.541	38%	0.379	S	S	.	.			trans	-178.7	151.5	169.3	-92.4	0	0	0	0	108.7	D846 I847 D848	C844-D846 PolarHBondContact O-N 3.42Å; C844-I847 HydrophobicContact CB-CD1 4.04Å; C844-I847 HydrophobicContact CB-CG1 4.11Å; C844-I847 PolarHBondContact O-N 2.78Å; C844-D848 PolarHBondContact O-N 3.03Å
845	S	54.2	Low	71.5	Confident	104 Å²	104	62.3 Å²	62.3	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22	-176.3	44.5	0	0	0	0	115.3
846	D	57.3	Low	71.1	Confident	156 Å²	156	64.6 Å²	64.6	83%	0.834	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.2	-178.9	-59.6	-18.1	0	0	0	113.4	C844	C844-D846 PolarHBondContact O-N 3.42Å
847	I	58.2	Low	70.3	Confident	77 Å²	77	66.7 Å²	66.7	40%	0.395	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-0.3	-175.3	-31.5	177.2	0	0	0	111.5	C844 G849 L850	C844-I847 HydrophobicContact CB-CD1 4.04Å; C844-I847 HydrophobicContact CB-CG1 4.11Å; C844-I847 PolarHBondContact O-N 2.78Å; I847-G849 PolarHBondContact O-N 2.99Å; I847-L850 HydrophobicContact CG2-CB 4.24Å; I847-L850 HydrophobicContact CG2-CD2 4.14Å; I847-L850 PolarHBondContact O-N 2.97Å
848	D	63.5	Low	69	Low	89 Å²	89	68.9 Å²	68.9	48%	0.476	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	123.1	174.3	-78.9	-15.6	0	0	0	110.1	I841 G842 C844	I841-D848 WeakPolarHBondContact CA-OD1 3.25Å; G842-D848 PolarHBondContact N-OD1 3.27Å; C844-D848 PolarHBondContact O-N 3.03Å
849	G	67.9	Low	67.1	Low	47 Å²	47	73.6 Å²	73.6	49%	0.485	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	2.8	-178.1	0	0	0	0	0	114.8	T839 L840 I847 P851	T839-G849 VanDerWaalsContact CG2-C 3.44Å; L840-G849 PolarHBondContact O-N 3.06Å; I847-G849 PolarHBondContact O-N 2.99Å; G849-P851 WeakPolarHBondContact O-CD 3.27Å
850	L	72.8	Confident	65.1	Low	70 Å²	70	81.8 Å²	81.8	37%	0.366	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.5	-179.7	-165.6	77.9	0	0	0	111.2	T839 L840 I847 V852	T839-L850 WeakPolarHBondContact CA-O 3.24Å; L840-L850 HydrophobicContact CB-CB 4.4Å; L840-L850 HydrophobicContact CD1-CD2 4.44Å; L840-L850 PolarHBondContact N-O 3.44Å; I847-L850 HydrophobicContact CG2-CB 4.24Å; I847-L850 HydrophobicContact CG2-CD2 4.14Å; I847-L850 PolarHBondContact O-N 2.97Å; L850-V852 PolarHBondContact O-N 3.42Å
851	P	75.8	Confident	63.3	Low	87 Å²	87	88.1 Å²	88.1	57%	0.565	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	130	176.7	28.7	-32.8	0	0	0	110.8	G838 G849	G838-P851 CarbonylContact O-C 3.57Å; G838-P851 WeakPolarHBondContact O-CA 3.36Å; G849-P851 WeakPolarHBondContact O-CD 3.27Å
852	V	81	Confident	61.2	Low	38 Å²	38	89.1 Å²	89.1	23%	0.23	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151	178	-68.8	0	0	0	0	110.9	V821 E837 G838 L840 L850 V854	V821-V852 HydrophobicContact CG1-CG2 4.19Å; E837-V852 CarbonylContact C-O 3.57Å; G838-V852 PolarHBondContact N-O 3.43Å; G838-V852 WeakPolarHBondContact O-CG2 3.32Å; G838-V852 PolarHBondContact O-N 3.49Å; L840-V852 HydrophobicContact CD1-CG1 3.4Å; L840-V852 VanDerWaalsContact CD1-CG1 3.4Å; L840-V852 HydrophobicContact CG-CG1 3.81Å; L840-V852 HydrophobicContact CG-CG2 4.39Å; L850-V852 PolarHBondContact O-N 3.42Å; V852-V854 HydrophobicContact CG2-CG2 3.86Å
853	A	78.8	Confident	59.6	Low	74 Å²	74	94.8 Å²	94.8	61%	0.612	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.5	168.8	0	0	0	0	0	109.5	V835 F836	V835-A853 HydrophobicContact CG1-CB 4.35Å; F836-A853 CarbonylContact O-C 3.57Å; F836-A853 WeakPolarHBondContact O-CA 3.38Å
854	V	78.4	Confident	58.2	Low	22 Å²	22	97.2 Å²	97.2	13%	0.133	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	112.4	-171.9	-174	0	0	0	0	108.9	V821 L823 V835 F836 V852 F873	V821-V854 HydrophobicContact CG1-CG2 3.65Å; L823-V854 HydrophobicContact CD2-CB 3.61Å; L823-V854 HydrophobicContact CD2-CG1 3.66Å; L823-V854 HydrophobicContact CD2-CG2 3.73Å; V835-V854 WeakPolarHBondContact CA-O 3.5Å; F836-V854 PolarHBondContact N-O 3.39Å; F836-V854 PolarHBondContact O-N 3.13Å; V852-V854 HydrophobicContact CG2-CG2 3.86Å; V854-F873 HydrophobicContact CB-CE1 4.39Å; V854-F873 HydrophobicContact CG1-CD1 3.79Å; V854-F873 HydrophobicContact CG1-CE1 3.24Å; V854-F873 HydrophobicContact CG1-CZ 3.9Å
855	K	78.1	Confident	57	Low	90 Å²	90	96.6 Å²	96.6	39%	0.391	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	106.8	-173.9	-179.1	-178.9	-179	-175.9	0	113.7	F832 V835 F873	F832-K855 VanDerWaalsContact CB-NZ 3.33Å; V835-K855 HydrophobicContact CG2-CB 4.33Å; V835-K855 HydrophobicContact CG2-CG 4.16Å; K855-F873 WeakPolarHBondContact O-CD1 3.47Å; K855-F873 WeakPolarHBondContact O-CE1 3.22Å
856	R	70	Confident	55.7	Low	85 Å²	85	103.2 Å²	103.2	32%	0.321	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	124.7	-174.5	-166.9	-174.9	-68.1	176	-1.8	112.1	E834 T871 F873	E834-R856 PolarHBondContact O-N 3.05Å; R856-T871 HydrophobicContact CG-CG2 4Å; R856-F873 VanDerWaalsContact CA-CE1 3.5Å; R856-F873 HydrophobicContact CB-CE1 4.15Å; R856-F873 HydrophobicContact CB-CE2 4.49Å; R856-F873 HydrophobicContact CB-CZ 3.6Å; R856-F873 HydrophobicContact CG-CE2 4.3Å; R856-F873 HydrophobicContact CG-CZ 3.84Å; R856-F873 VanDerWaalsContact N-CE1 3.32Å
857	I	63.2	Low	54.4	Low	81 Å²	81	100.7 Å²	100.7	42%	0.415	58%	0.576	S	S	.	*			trans	-104.6	120.4	173.4	-58.1	174	0	0	0	108.8	T871	I857-T871 WeakPolarHBondContact O-CB 3.16Å; I857-T871 WeakPolarHBondContact O-CG2 3.32Å
858	V	54.5	Low	53	Low	102 Å²	102	105.8 Å²	105.8	62%	0.618	60%	0.598	S	S	*	*			trans	-90.6	113.7	178.4	-178.3	0	0	0	0	109.6
859	L	43.8	Very low	51.5	Low	99 Å²	99	106.5 Å²	106.5	52%	0.518	61%	0.607	S	S	.	*			trans	-81.3	116.7	169.7	-73.9	163.5	0	0	0	109.5	N861	L859-N861 PolarHBondContact O-N 2.9Å
860	K	39	Very low	49.6	Very low	203 Å²	203	111.6 Å²	111.6	88%	0.883	62%	0.619	S	S	*	*			trans	-87.5	97.4	167.3	-78.4	-173.7	177.6	-180	0	108.9
861	N	37.4	Very low	47.7	Very low	147 Å²	147	109.2 Å²	109.2	79%	0.786	61%	0.607	S	S	*	*			trans	-78.5	127.6	166.2	-82.3	-8.2	0	0	0	110	L859	L859-N861 PolarHBondContact O-N 2.9Å
862	A	30.4	Very low	45.5	Very low	87 Å²	87	110.5 Å²	110.5	72%	0.719	61%	0.609	S	S	*	*			trans	-78.1	131.4	163.4	0	0	0	0	0	108.9
863	H	30.6	Very low	43.4	Very low	180 Å²	180	112.6 Å²	112.6	83%	0.833	62%	0.616	S	S	*	*	S	Bend	trans	91.6	120	174.1	-64.4	-76.1	0	0	0	119.5
864	S	32.4	Very low	41.1	Very low	123 Å²	123	115.8 Å²	115.8	86%	0.86	63%	0.627	S	S	*	*			trans	80.8	124.8	170.5	83.8	0	0	0	0	117.9
865	G	29.3	Very low	38.9	Very low	67 Å²	67	118.6 Å²	118.6	69%	0.691	65%	0.652	S	S	*	*	S	Bend	trans	-76.1	157.9	177.9	0	0	0	0	0	112.5
866	Y	27.8	Very low	36.7	Very low	243 Å²	243	118.9 Å²	118.9	95%	0.953	66%	0.662	S	S	*	*			trans	73.1	77.7	-177.6	-66.7	-86.2	0	0	0	116.3
867	A	30	Very low	35	Very low	103 Å²	103	124.6 Å²	124.6	85%	0.851	68%	0.683	S	S	*	*			trans	-164.3	142.2	143	0	0	0	0	0	111.3
868	H	28.3	Very low	33.4	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.856	69%	0.694	S	S	*	*			trans	-52.2	144.5	178.8	-85.3	-83.9	0	0	0	113.9	Q870	H868-Q870 PolarHBondContact O-N 2.94Å
869	P	31	Very low	32.3	Very low	103 Å²	103	124.8 Å²	124.8	67%	0.669	69%	0.685	S	S	*	*			trans	-69.5	115.5	-176	26.6	-32	0	0	0	112.1
870	Q	28.1	Very low	31.7	Very low	155 Å²	155	128.2 Å²	128.2	72%	0.724	70%	0.696	S	S	*	*			trans	-71.7	127.4	163.4	-73.5	-175.5	-25.6	0	0	109.1	H868	H868-Q870 PolarHBondContact O-N 2.94Å
871	T	33.9	Very low	31.2	Very low	20 Å²	20	124 Å²	124	12%	0.123	69%	0.689	C	S	.	*			trans	-127.4	130.1	174.9	51.6	0	0	0	0	108.3	R818 R856 I857 F873	R818-T871 PolarHBondContact NH2-O 3.24Å; R856-T871 HydrophobicContact CG-CG2 4Å; I857-T871 WeakPolarHBondContact O-CB 3.16Å; I857-T871 WeakPolarHBondContact O-CG2 3.32Å; T871-F873 WeakPolarHBondContact OG1-CE2 3.23Å
872	D	29.5	Very low	31	Very low	113 Å²	113	125.6 Å²	125.6	60%	0.604	69%	0.691	S	S	*	*			trans	-94.3	138.1	173.7	-71.3	-28.8	0	0	0	109.3
873	F	36.1	Very low	30.9	Very low	83 Å²	83	126 Å²	126	36%	0.364	69%	0.689	S	S	.	*			trans	-127.8	132.5	177.5	-77.2	-103	0	0	0	110.5	V854 K855 R856 T871	V854-F873 HydrophobicContact CB-CE1 4.39Å; V854-F873 HydrophobicContact CG1-CD1 3.79Å; V854-F873 HydrophobicContact CG1-CE1 3.24Å; V854-F873 HydrophobicContact CG1-CZ 3.9Å; K855-F873 WeakPolarHBondContact O-CD1 3.47Å; K855-F873 WeakPolarHBondContact O-CE1 3.22Å; R856-F873 VanDerWaalsContact CA-CE1 3.5Å; R856-F873 HydrophobicContact CB-CE1 4.15Å; R856-F873 HydrophobicContact CB-CE2 4.49Å; R856-F873 HydrophobicContact CB-CZ 3.6Å; R856-F873 HydrophobicContact CG-CE2 4.3Å; R856-F873 HydrophobicContact CG-CZ 3.84Å; R856-F873 VanDerWaalsContact N-CE1 3.32Å; T871-F873 WeakPolarHBondContact OG1-CE2 3.23Å
874	V	30.7	Very low	30.8	Very low	141 Å²	141	125.6 Å²	125.6	86%	0.855	69%	0.687	S	S	*	*			trans	-105.1	119.7	164.9	178.2	0	0	0	0	107.3
875	A	33	Very low	30.6	Very low	80 Å²	80	128.4 Å²	128.4	66%	0.661	69%	0.687	S	S	*	*			trans	-121.9	127.1	170.8	0	0	0	0	0	109.5
876	T	31.8	Very low	30.5	Very low	97 Å²	97	130.2 Å²	130.2	60%	0.595	70%	0.695	S	S	*	*			trans	-109.9	132.4	175.5	38.6	0	0	0	0	110.3
877	W	34.5	Very low	30.5	Very low	204 Å²	204	122.1 Å²	122.1	77%	0.773	69%	0.686	S	S	*	*			trans	-140.6	147.6	161	-172.8	74.4	0	0	0	112.3
878	K	29.2	Very low	30.5	Very low	147 Å²	147	127.4 Å²	127.4	64%	0.639	69%	0.689	S	S	*	*			trans	-122.4	114.1	179.6	-170.9	-176.9	-172.6	179.5	0	107.7
879	G	31.9	Very low	30.5	Very low	41 Å²	41	128.3 Å²	128.3	42%	0.423	69%	0.691	S	S	.	*			trans	-119.5	118.5	169.3	0	0	0	0	0	110.3
880	K	30.6	Very low	30.7	Very low	171 Å²	171	128.3 Å²	128.3	74%	0.743	69%	0.691	S	S	*	*			trans	-73.4	144	169.5	-93.7	-175.8	173	-176	0	109.9
881	P	28.9	Very low	30.7	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	70%	0.696	S	S	*	*			trans	-80.4	142.1	165.1	34.5	-29.2	0	0	0	109
882	H	32	Very low	30.5	Very low	180 Å²	180	132 Å²	132	83%	0.833	73%	0.73	S	S	*	*			trans	-134.1	111.4	162	-113.9	-71.1	0	0	0	108.8
883	S	29.1	Very low	30.3	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	74%	0.739	S	S	*	*			trans	-83	138.4	163.6	50.7	0	0	0	0	110.2
884	E	28	Very low	30	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	76%	0.757	S	S	*	*			trans	81.9	119.1	143.6	-74.3	175.5	165.7	0	0	123
885	E	28.3	Very low	29.8	Very low	182 Å²	182	135.8 Å²	135.8	85%	0.85	75%	0.753	S	S	*	*			trans	88.1	111.5	138.1	-72.1	-169.9	151.8	0	0	123.1
886	A	27.3	Very low	29.5	Very low	104 Å²	104	142.4 Å²	142.4	86%	0.86	76%	0.761	S	S	*	*			trans	68.4	114.2	132.4	0	0	0	0	0	121.1
887	G	27.7	Very low	29.1	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	77%	0.768	S	S	*	*			trans	125.1	110.3	133.5	0	0	0	0	0	118.7
888	K	31.3	Very low	28.8	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.926	77%	0.767	S	S	*	*			trans	68.9	95.6	147.4	-66	-179.5	178.4	176.6	0	120.8
889	K	28.6	Very low	28.8	Very low	204 Å²	204	145.7 Å²	145.7	89%	0.887	77%	0.77	S	S	*	*				-1.7	164.4	126.8	-113.4	-172.9	-167.3	-178.5	0	120.1
890	P	35.3	Very low	28.7	Very low	103 Å²	103	153.3 Å²	153.3	67%	0.669	79%	0.791	S	S	*	*				-127.6	174.9	-90.7	41.3	-25.1	0	0	0	113.3
891	T	27.4	Very low	28.9	Very low	136 Å²	136	150.7 Å²	150.7	83%	0.834	80%	0.802	S	S	*	*			trans	166.7	150	134.9	33.7	0	0	0	0	114.8
892	S	30.1	Very low	28.9	Very low	118 Å²	118	152.5 Å²	152.5	83%	0.825	81%	0.805	S	S	*	*			trans	74.9	109	158.2	66.5	0	0	0	0	122.5
893	L	24.9	Very low	28.7	Very low	151 Å²	151	151.1 Å²	151.1	79%	0.791	80%	0.803	S	S	*	*			trans	-67.1	155	140.9	-97.8	139.3	0	0	0	109.4
894	P	30.3	Very low	28.7	Very low	115 Å²	115	154.1 Å²	154.1	75%	0.747	81%	0.81	S	S	*	*				-153.3	155.3	64.6	38.1	-16.1	0	0	0	119.6
895	L	25.2	Very low	28.8	Very low	149 Å²	149	153.1 Å²	153.1	78%	0.78	81%	0.811	S	S	*	*			trans	18.3	126.6	137	-69.6	151	0	0	0	121.1
896	R	27	Very low	28.8	Very low	219 Å²	219	151.3 Å²	151.3	83%	0.826	81%	0.808	S	S	*	*				176	116.5	115.1	-99	179	-176.1	-164.4	4.1	109.1
897	R	24.3	Very low	28.9	Very low	197 Å²	197	154.4 Å²	154.4	74%	0.743	81%	0.805	S	S	*	*				110.3	124.7	77.7	-138.6	-175.5	-163.8	-179.7	2.1	109.3
898	F	27.4	Very low	29	Very low	171 Å²	171	160.1 Å²	160.1	75%	0.75	81%	0.808	S	S	*	*			trans	148.4	104.1	139.9	-87.3	-78.3	0	0	0	107.4
899	Q	30.3	Very low	28.8	Very low	150 Å²	150	156.1 Å²	156.1	70%	0.701	80%	0.799	S	S	*	*				78.8	113.4	65.5	-159.2	-178.4	16.7	0	0	113.1
900	K	29.3	Very low	28.8	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	79%	0.791	S	S	*	*			trans	60.2	137	162.2	-75.4	178.3	170.8	-176.9	0	117.2
901	A	34.5	Very low	28.2	Very low	116 Å²	116	156.5 Å²	156.5	96%	0.959	80%	0.802	S	S	*	*			cis	-138.1	0	27.4	0	0	0	0	0	112.5	V776 I777	V776-A901 WeakPolarHBondContact O-CB 3.45Å; I777-A901 WeakPolarHBondContact O-CB 3.33Å

Retrieved 901 of 901 residues in 376.8 ms (Link to these results)

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