A0A5K4FBC3_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34.2	Very low	47.2	Very low	234 Å²	234	154.7 Å²	154.7	100%	1.153	71%	0.711	S	S	*	*				0	121.5	0	-74.9	-179.2	173.9	0	0	106.8
2	R	32.1	Very low	47.8	Very low	232 Å²	232	149.4 Å²	149.4	88%	0.875	69%	0.691	S	S	*	*			cis	-137.2	143.8	6.3	-72.2	170.8	-159	151.3	9.6	107.8	S4	R2-S4 PolarHBondContact O-N 3.44Å
3	H	33.9	Very low	48.7	Very low	173 Å²	173	146.5 Å²	146.5	80%	0.801	68%	0.683	S	S	*	*			trans	-43.2	130.8	163.2	-86.4	-114.5	0	0	0	110.7
4	S	49.9	Very low	49.5	Very low	119 Å²	119	142.9 Å²	142.9	83%	0.832	67%	0.67	S	S	*	*			trans	-108.9	101.1	144.3	173.2	0	0	0	0	105.4	R2 M6	R2-S4 PolarHBondContact O-N 3.44Å; S4-M6 PolarHBondContact O-N 2.89Å
5	E	44.5	Very low	50.3	Low	159 Å²	159	138.6 Å²	138.6	74%	0.743	65%	0.653	S	S	*	*			trans	-60.6	106	173	-72.2	178.5	128.2	0	0	108	S7	E5-S7 PolarHBondContact O-N 3.46Å
6	M	51	Low	50.9	Low	89 Å²	89	135.9 Å²	135.9	44%	0.438	64%	0.643	S	S	.	*			trans	-52.4	117.4	161.4	-178	-170.1	-61.4	0	0	106.7	S4 R8 Q10 K11 L14	S4-M6 PolarHBondContact O-N 2.89Å; M6-R8 PolarHBondContact O-N 3.1Å; M6-Q10 HydrophobicContact CG-CB 3.72Å; M6-Q10 HydrophobicContact SD-CB 4.35Å; M6-K11 HydrophobicContact CB-CG 4.12Å; M6-K11 HydrophobicContact CG-CG 3.84Å; M6-K11 VanDerWaalsContact O-CE 3.25Å; M6-K11 WeakPolarHBondContact O-CE 3.38Å; M6-K11 HydrophobicContact SD-CB 4.46Å; M6-K11 HydrophobicContact SD-CG 3.52Å; M6-K11 VanDerWaalsContact SD-CG 3.52Å; M6-L14 HydrophobicContact SD-CD1 4.4Å
7	S	61.6	Low	51.3	Low	60 Å²	60	136.8 Å²	136.8	42%	0.42	65%	0.646	S	S	.	*			trans	-48.7	139.4	-175.6	173.1	0	0	0	0	109	E5 R9 Q10 K11	E5-S7 PolarHBondContact O-N 3.46Å; S7-R9 PolarHBondContact O-N 3.05Å; S7-Q10 PolarHBondContact O-N 2.86Å; S7-K11 PolarHBondContact O-N 2.79Å
8	R	51.9	Low	51.9	Low	217 Å²	217	133.6 Å²	133.6	82%	0.819	64%	0.637	S	S	*	*	H	α-helix	trans	-45.2	-36.3	178.3	-83.2	-175.3	178.8	-165.3	-0.3	111.4	M6 I12	M6-R8 PolarHBondContact O-N 3.1Å; R8-I12 WeakPolarHBondContact O-CB 3.38Å; R8-I12 WeakPolarHBondContact O-CD1 3.42Å; R8-I12 WeakPolarHBondContact O-CG1 3.44Å; R8-I12 PolarHBondContact O-N 3.47Å
9	R	51.4	Low	52.3	Low	198 Å²	198	128.3 Å²	128.3	75%	0.747	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-37.2	178.7	-66.9	-176.5	171.9	-174.9	-4	114.5	S7 I12 L13	S7-R9 PolarHBondContact O-N 3.05Å; R9-I12 PolarHBondContact O-N 3.03Å; R9-L13 WeakPolarHBondContact O-CD1 3.31Å; R9-L13 WeakPolarHBondContact O-CG 3.31Å; R9-L13 PolarHBondContact O-N 2.86Å
10	Q	54.4	Low	52.2	Low	112 Å²	112	123.6 Å²	123.6	52%	0.523	60%	0.6	S	S	.	*	H	α-helix	trans	-79.2	-34.5	179.9	-76	170.3	-36.8	0	0	112.4	M6 S7 I12 L13 L14	M6-Q10 HydrophobicContact CG-CB 3.72Å; M6-Q10 HydrophobicContact SD-CB 4.35Å; S7-Q10 PolarHBondContact O-N 2.86Å; Q10-I12 VanDerWaalsContact C-N 3.26Å; Q10-I12 PolarHBondContact O-N 2.78Å; Q10-L13 PolarHBondContact O-N 3.19Å; Q10-L14 PolarHBondContact O-N 2.87Å; Q10-L14 VanDerWaalsContact O-N 3.08Å
11	K	53.8	Low	52.2	Low	109 Å²	109	122.4 Å²	122.4	47%	0.474	60%	0.6	S	S	.	*	H	α-helix	trans	-62.7	-38.6	168.7	-68.3	-179.4	-177.4	174.3	0	111.1	M6 S7 L15	M6-K11 HydrophobicContact CB-CG 4.12Å; M6-K11 HydrophobicContact CG-CG 3.84Å; M6-K11 VanDerWaalsContact O-CE 3.25Å; M6-K11 WeakPolarHBondContact O-CE 3.38Å; M6-K11 HydrophobicContact SD-CB 4.46Å; M6-K11 HydrophobicContact SD-CG 3.52Å; M6-K11 VanDerWaalsContact SD-CG 3.52Å; S7-K11 PolarHBondContact O-N 2.79Å; K11-L15 WeakPolarHBondContact O-CB 3.17Å; K11-L15 WeakPolarHBondContact O-CD1 3.14Å; K11-L15 PolarHBondContact O-N 3.45Å; K11-L15 VanDerWaalsContact O-N 3.07Å
12	I	55.1	Low	53.2	Low	91 Å²	91	113.1 Å²	113.1	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-66.6	-45.1	175.8	-71.1	163.1	0	0	0	110.7	R8 R9 Q10 L15 L16	R8-I12 WeakPolarHBondContact O-CB 3.38Å; R8-I12 WeakPolarHBondContact O-CD1 3.42Å; R8-I12 WeakPolarHBondContact O-CG1 3.44Å; R8-I12 PolarHBondContact O-N 3.47Å; R9-I12 PolarHBondContact O-N 3.03Å; Q10-I12 VanDerWaalsContact C-N 3.26Å; Q10-I12 PolarHBondContact O-N 2.78Å; I12-L15 WeakPolarHBondContact O-CB 3.34Å; I12-L15 PolarHBondContact O-N 3.36Å; I12-L16 HydrophobicContact CG2-CD1 3.62Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CB 3.17Å; I12-L16 WeakPolarHBondContact O-CG 3.49Å; I12-L16 PolarHBondContact O-N 3.15Å
13	L	59.2	Low	54	Low	111 Å²	111	102.1 Å²	102.1	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-64.6	-42.6	180	-80	157.2	0	0	0	113.6	R9 Q10 L16 H17	R9-L13 WeakPolarHBondContact O-CD1 3.31Å; R9-L13 WeakPolarHBondContact O-CG 3.31Å; R9-L13 PolarHBondContact O-N 2.86Å; Q10-L13 PolarHBondContact O-N 3.19Å; L13-L16 PolarHBondContact O-N 3.33Å; L13-H17 PolarHBondContact O-N 2.99Å
14	L	59.9	Low	54.5	Low	97 Å²	97	96.7 Å²	96.7	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-37.8	175.4	-90	157.2	0	0	0	112.4	M6 Q10 V18	M6-L14 HydrophobicContact SD-CD1 4.4Å; Q10-L14 PolarHBondContact O-N 2.87Å; Q10-L14 VanDerWaalsContact O-N 3.08Å; L14-V18 WeakPolarHBondContact O-CG2 3.13Å; L14-V18 PolarHBondContact O-N 2.95Å
15	L	62	Low	54.4	Low	78 Å²	78	93.4 Å²	93.4	41%	0.408	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-49.4	168.6	-112.1	76.1	0	0	0	110.1	K11 I12 H17 V18 I19 S287	K11-L15 WeakPolarHBondContact O-CB 3.17Å; K11-L15 WeakPolarHBondContact O-CD1 3.14Å; K11-L15 PolarHBondContact O-N 3.45Å; K11-L15 VanDerWaalsContact O-N 3.07Å; I12-L15 WeakPolarHBondContact O-CB 3.34Å; I12-L15 PolarHBondContact O-N 3.36Å; L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 2.88Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-I19 HydrophobicContact CB-CD1 4.2Å; L15-I19 HydrophobicContact CD2-CD1 4.42Å; L15-I19 HydrophobicContact CG-CD1 4.42Å; L15-I19 WeakPolarHBondContact O-CA 3.45Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.46Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 2.93Å; L15-S287 VanDerWaalsContact CD2-CB 3.42Å; L15-S287 VanDerWaalsContact CD2-OG 3.22Å; L15-S287 WeakPolarHBondContact CD2-OG 3.22Å; L15-S287 WeakPolarHBondContact CG-OG 3.46Å
16	L	59.5	Low	54.9	Low	96 Å²	96	88.4 Å²	88.4	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-34.1	-176.9	-76.9	169.1	0	0	0	113	I12 L13 G20	I12-L16 HydrophobicContact CG2-CD1 3.62Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CB 3.17Å; I12-L16 WeakPolarHBondContact O-CG 3.49Å; I12-L16 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 3.33Å; L16-G20 WeakPolarHBondContact O-CA 3.39Å; L16-G20 PolarHBondContact O-N 3.04Å
17	H	57.6	Low	54.7	Low	150 Å²	150	86.6 Å²	86.6	69%	0.694	46%	0.456	S	S	*	.	H	α-helix	trans	-73.3	-45.6	174.7	-109.8	25.2	0	0	0	112.8	L13 L15 I19 G20 V21	L13-H17 PolarHBondContact O-N 2.99Å; L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 2.88Å; H17-I19 VanDerWaalsContact C-N 3.33Å; H17-G20 PolarHBondContact O-N 2.85Å; H17-V21 WeakPolarHBondContact O-CG2 3.21Å; H17-V21 PolarHBondContact O-N 3.38Å
18	V	61.3	Low	53.8	Low	80 Å²	80	85.4 Å²	85.4	49%	0.485	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-39.6	177.9	174.9	0	0	0	0	111	L14 L15 A22	L14-V18 WeakPolarHBondContact O-CG2 3.13Å; L14-V18 PolarHBondContact O-N 2.95Å; L15-V18 PolarHBondContact O-N 3.37Å; V18-A22 WeakPolarHBondContact O-CB 3.28Å; V18-A22 PolarHBondContact O-N 3.39Å
19	I	60.9	Low	53.6	Low	32 Å²	32	80.5 Å²	80.5	16%	0.164	44%	0.441	C	S	.	.	H	α-helix	trans	-54.1	-62.9	166.6	-76.1	173.1	0	0	0	107.5	L15 H17 V21 A22 C23 C283 S287	L15-I19 HydrophobicContact CB-CD1 4.2Å; L15-I19 HydrophobicContact CD2-CD1 4.42Å; L15-I19 HydrophobicContact CG-CD1 4.42Å; L15-I19 WeakPolarHBondContact O-CA 3.45Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.46Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 2.93Å; H17-I19 VanDerWaalsContact C-N 3.33Å; I19-V21 VanDerWaalsContact C-N 3.28Å; I19-V21 PolarHBondContact O-N 3.16Å; I19-V21 VanDerWaalsContact O-N 3.13Å; I19-A22 PolarHBondContact O-N 2.91Å; I19-C23 WeakPolarHBondContact O-CA 3.41Å; I19-C23 WeakPolarHBondContact O-CB 3.41Å; I19-C23 PolarHBondContact O-N 3.47Å; I19-C283 HydrophobicContact CB-CB 3.81Å; I19-C283 HydrophobicContact CD1-CB 4.26Å; I19-C283 HydrophobicContact CG1-CB 3.65Å; I19-C283 WeakPolarHBondContact CG1-O 3.03Å; I19-C283 HydrophobicContact CG2-CB 3.33Å; I19-C283 PolarHBondContact O-SG 2.98Å; I19-S287 WeakPolarHBondContact CD1-OG 3.42Å
20	G	49.6	Very low	53.2	Low	35 Å²	35	72.5 Å²	72.5	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-50.5	-38.3	-177.1	0	0	0	0	0	115	L16 H17 A24	L16-G20 WeakPolarHBondContact O-CA 3.39Å; L16-G20 PolarHBondContact O-N 3.04Å; H17-G20 PolarHBondContact O-N 2.85Å; G20-A24 WeakPolarHBondContact O-CB 3.43Å; G20-A24 PolarHBondContact O-N 3.46Å
21	V	52.5	Low	52.8	Low	99 Å²	99	71.5 Å²	71.5	60%	0.6	42%	0.416	S	S	*	.	H	α-helix	trans	-74.2	-47.9	176.5	173.8	0	0	0	0	112.1	H17 I19 C23 A24 A25	H17-V21 WeakPolarHBondContact O-CG2 3.21Å; H17-V21 PolarHBondContact O-N 3.38Å; I19-V21 VanDerWaalsContact C-N 3.28Å; I19-V21 PolarHBondContact O-N 3.16Å; I19-V21 VanDerWaalsContact O-N 3.13Å; V21-C23 PolarHBondContact O-N 2.99Å; V21-A24 PolarHBondContact O-N 3.44Å; V21-A25 WeakPolarHBondContact O-CB 3.38Å; V21-A25 PolarHBondContact O-N 3.43Å
22	A	55.5	Low	52.3	Low	38 Å²	38	72.3 Å²	72.3	31%	0.314	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-40.2	176.8	0	0	0	0	0	111.1	V18 I19 I26	V18-A22 WeakPolarHBondContact O-CB 3.28Å; V18-A22 PolarHBondContact O-N 3.39Å; I19-A22 PolarHBondContact O-N 2.91Å; A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 WeakPolarHBondContact O-CG1 3.12Å; A22-I26 PolarHBondContact O-N 3.08Å
23	C	47.7	Very low	51.8	Low	2 Å²	2	72.2 Å²	72.2	1%	0.014	43%	0.428	C	S	.	.	H	α-helix	trans	-58	-62.4	170.7	-92.4	0	0	0	0	109.3	I19 V21 A25 I26 V27 F279 C283	I19-C23 WeakPolarHBondContact O-CA 3.41Å; I19-C23 WeakPolarHBondContact O-CB 3.41Å; I19-C23 PolarHBondContact O-N 3.47Å; V21-C23 PolarHBondContact O-N 2.99Å; C23-A25 PolarHBondContact O-N 3.1Å; C23-A25 VanDerWaalsContact O-N 3.11Å; C23-I26 CarbonylContact O-C 3.6Å; C23-I26 WeakPolarHBondContact O-CA 3.36Å; C23-I26 WeakPolarHBondContact O-CB 3.42Å; C23-I26 PolarHBondContact O-N 2.9Å; C23-V27 PolarHBondContact O-N 3.33Å; C23-F279 HydrophobicContact CB-CD1 3.81Å; C23-F279 HydrophobicContact CB-CD2 3.46Å; C23-F279 VanDerWaalsContact CB-CD2 3.46Å; C23-F279 HydrophobicContact CB-CE1 3.34Å; C23-F279 HydrophobicContact CB-CE2 3.08Å; C23-F279 HydrophobicContact CB-CG 3.88Å; C23-F279 HydrophobicContact CB-CZ 3.03Å; C23-F279 WeakPolarHBondContact O-CD2 3.34Å; C23-F279 WeakPolarHBondContact O-CE2 3.4Å; C23-F279 WeakPolarHBondContact SG-CD1 3.22Å; C23-F279 WeakPolarHBondContact SG-CE1 3.48Å; C23-F279 WeakPolarHBondContact SG-CG 3.2Å; C23-F279 VanDerWaalsContact SG-CZ 3.56Å; C23-C283 WeakPolarHBondContact CB-SG 3.42Å; C23-C283 WeakPolarHBondContact SG-CB 3.43Å; C23-C283 CovalentContact SG-SG 2.05Å; C23-C283 PolarHBondContact SG-SG 2.99Å
24	A	45.1	Very low	50.9	Low	58 Å²	58	68.8 Å²	68.8	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-53.6	-36.8	-179.1	0	0	0	0	0	113.2	G20 V21 V27 G28	G20-A24 WeakPolarHBondContact O-CB 3.43Å; G20-A24 PolarHBondContact O-N 3.46Å; V21-A24 PolarHBondContact O-N 3.44Å; A24-V27 PolarHBondContact O-N 2.7Å; A24-G28 PolarHBondContact O-N 3.46Å
25	A	48	Very low	50	Low	51 Å²	51	71.1 Å²	71.1	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-40.7	172.5	0	0	0	0	0	112.6	V21 C23 I29	V21-A25 WeakPolarHBondContact O-CB 3.38Å; V21-A25 PolarHBondContact O-N 3.43Å; C23-A25 PolarHBondContact O-N 3.1Å; C23-A25 VanDerWaalsContact O-N 3.11Å; A25-I29 WeakPolarHBondContact O-CD1 3.31Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.41Å; A25-I29 PolarHBondContact O-N 2.88Å
26	I	54.4	Low	49	Very low	54 Å²	54	71.9 Å²	71.9	28%	0.277	43%	0.427	S	S	.	.	H	α-helix	trans	-70.9	-38	175.5	-67.3	164.5	0	0	0	111.6	A22 C23 I29 A30 F279 T282	A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 WeakPolarHBondContact O-CG1 3.12Å; A22-I26 PolarHBondContact O-N 3.08Å; C23-I26 CarbonylContact O-C 3.6Å; C23-I26 WeakPolarHBondContact O-CA 3.36Å; C23-I26 WeakPolarHBondContact O-CB 3.42Å; C23-I26 PolarHBondContact O-N 2.9Å; I26-I29 PolarHBondContact O-N 3.43Å; I26-A30 WeakPolarHBondContact O-CB 3.2Å; I26-A30 PolarHBondContact O-N 3.04Å; I26-F279 HydrophobicContact CB-CD2 4.16Å; I26-F279 HydrophobicContact CG2-CB 4.33Å; I26-F279 HydrophobicContact CG2-CD2 4.31Å; I26-T282 HydrophobicContact CD1-CG2 3.96Å; I26-T282 WeakPolarHBondContact CD1-OG1 3.31Å
27	V	47.2	Very low	47.8	Very low	51 Å²	51	75 Å²	75	31%	0.309	44%	0.437	S	S	.	.	H	α-helix	trans	-68.4	-37.6	173.3	155.6	0	0	0	0	111	C23 A24 A30 L31 F279	C23-V27 PolarHBondContact O-N 3.33Å; A24-V27 PolarHBondContact O-N 2.7Å; V27-A30 PolarHBondContact O-N 2.83Å; V27-L31 HydrophobicContact CG1-CD1 3.54Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 WeakPolarHBondContact O-CB 3.44Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 2.72Å; V27-F279 HydrophobicContact CB-CD2 4.15Å; V27-F279 HydrophobicContact CB-CE2 3.68Å; V27-F279 HydrophobicContact CG2-CD2 3.4Å; V27-F279 HydrophobicContact CG2-CE2 3.09Å; V27-F279 HydrophobicContact CG2-CG 4.24Å; V27-F279 HydrophobicContact CG2-CZ 3.89Å
28	G	42.3	Very low	46.8	Very low	35 Å²	35	75.5 Å²	75.5	36%	0.361	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-47.8	172.1	0	0	0	0	0	111.6	A24 L32	A24-G28 PolarHBondContact O-N 3.46Å; G28-L32 WeakPolarHBondContact O-CB 3.44Å; G28-L32 PolarHBondContact O-N 2.99Å
29	I	48.7	Very low	45.6	Very low	113 Å²	113	78.8 Å²	78.8	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-41.3	176.9	-65.3	164.3	0	0	0	111.5	A25 I26 L32 V33	A25-I29 WeakPolarHBondContact O-CD1 3.31Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.41Å; A25-I29 PolarHBondContact O-N 2.88Å; I26-I29 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 3.46Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.32Å
30	A	43	Very low	44.3	Very low	31 Å²	31	81.4 Å²	81.4	26%	0.256	47%	0.468	S	S	.	.	H	α-helix	trans	-69	-37.5	178.7	0	0	0	0	0	112	I26 V27 V33 H34 A275	I26-A30 WeakPolarHBondContact O-CB 3.2Å; I26-A30 PolarHBondContact O-N 3.04Å; V27-A30 PolarHBondContact O-N 2.83Å; A30-V33 PolarHBondContact O-N 3.35Å; A30-H34 WeakPolarHBondContact O-CA 3.4Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 2.77Å; A30-A275 HydrophobicContact CB-CB 4.35Å
31	L	44.8	Very low	43.4	Very low	90 Å²	90	86.9 Å²	86.9	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-37.2	173.2	-75.1	172.1	0	0	0	111.1	V27 V33 H34 F35	V27-L31 HydrophobicContact CG1-CD1 3.54Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 WeakPolarHBondContact O-CB 3.44Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 2.72Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.06Å; L31-H34 PolarHBondContact O-N 2.94Å; L31-F35 WeakPolarHBondContact O-CB 3.43Å; L31-F35 PolarHBondContact O-N 3.18Å
32	L	43.5	Very low	42.4	Very low	127 Å²	127	89.4 Å²	89.4	67%	0.665	49%	0.49	S	S	*	.	H	α-helix	trans	-61.4	-42.1	172.4	-121	150.7	0	0	0	111.8	G28 I29 S36	G28-L32 WeakPolarHBondContact O-CB 3.44Å; G28-L32 PolarHBondContact O-N 2.99Å; I29-L32 PolarHBondContact O-N 3.46Å; L32-S36 WeakPolarHBondContact O-CB 3.47Å; L32-S36 PolarHBondContact O-N 3.32Å; L32-S36 PolarHBondContact O-OG 3.45Å
33	V	45.7	Very low	41.2	Very low	89 Å²	89	96.7 Å²	96.7	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-71.8	-35.7	174.6	174	0	0	0	0	111.5	I29 A30 L31 K37	I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.32Å; A30-V33 PolarHBondContact O-N 3.35Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.06Å; V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.42Å; V33-K37 PolarHBondContact O-N 3.32Å; V33-K37 VanDerWaalsContact O-N 3.15Å
34	H	39.9	Very low	40.7	Very low	39 Å²	39	99.6 Å²	99.6	18%	0.181	55%	0.547	C	S	.	.	H	α-helix	trans	-75.2	-41.9	-179.6	-163.5	-72.3	0	0	0	111.5	A30 L31 S36 K37 R38	A30-H34 WeakPolarHBondContact O-CA 3.4Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 2.77Å; L31-H34 PolarHBondContact O-N 2.94Å; H34-S36 VanDerWaalsContact C-N 3.31Å; H34-S36 PolarHBondContact O-N 3.1Å; H34-K37 CarbonylContact O-C 3.59Å; H34-K37 PolarHBondContact O-N 2.97Å; H34-R38 VanDerWaalsContact CE1-CD 3.5Å; H34-R38 WeakPolarHBondContact CE1-CD 3.46Å; H34-R38 PolarHBondContact CE1-NE 3.15Å; H34-R38 WeakPolarHBondContact O-CB 3.03Å; H34-R38 PolarHBondContact O-N 3.01Å
35	F	40.9	Very low	40.7	Very low	146 Å²	146	100.1 Å²	100.1	64%	0.64	55%	0.547	S	S	*	.	H	α-helix	trans	-62.8	-39	172.2	-110.9	-88.2	0	0	0	111.3	L31 K37	L31-F35 WeakPolarHBondContact O-CB 3.43Å; L31-F35 PolarHBondContact O-N 3.18Å; F35-K37 PolarHBondContact O-N 3.39Å
36	S	40.8	Very low	40.6	Very low	94 Å²	94	101.5 Å²	101.5	66%	0.657	55%	0.554	S	S	*	*	H	α-helix	trans	-64.7	-19.2	172.1	-63.3	0	0	0	0	113.5	L32 H34	L32-S36 WeakPolarHBondContact O-CB 3.47Å; L32-S36 PolarHBondContact O-N 3.32Å; L32-S36 PolarHBondContact O-OG 3.45Å; H34-S36 VanDerWaalsContact C-N 3.31Å; H34-S36 PolarHBondContact O-N 3.1Å
37	K	34.2	Very low	40.1	Very low	162 Å²	162	101.7 Å²	101.7	70%	0.704	56%	0.555	S	S	*	*	H	α-helix	trans	-110.1	-19.7	-176.7	-159.1	171.5	-176.5	179.9	0	114.1	V33 H34 F35	V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.42Å; V33-K37 PolarHBondContact O-N 3.32Å; V33-K37 VanDerWaalsContact O-N 3.15Å; H34-K37 CarbonylContact O-C 3.59Å; H34-K37 PolarHBondContact O-N 2.97Å; F35-K37 PolarHBondContact O-N 3.39Å
38	R	37.1	Very low	39.8	Very low	160 Å²	160	104 Å²	104	60%	0.604	57%	0.565	S	S	*	*	H	α-helix	trans	-82.6	-16	-177.5	-150.3	-178.8	-152.6	154.2	3.5	113.4	H34 S40	H34-R38 VanDerWaalsContact CE1-CD 3.5Å; H34-R38 WeakPolarHBondContact CE1-CD 3.46Å; H34-R38 PolarHBondContact CE1-NE 3.15Å; H34-R38 WeakPolarHBondContact O-CB 3.03Å; H34-R38 PolarHBondContact O-N 3.01Å; R38-S40 PolarHBondContact O-N 3.46Å
39	N	36.9	Very low	39.9	Very low	149 Å²	149	103.8 Å²	103.8	80%	0.797	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	8.7	167.4	-84.4	-2.7	0	0	0	113.8
40	S	33	Very low	39.4	Very low	86 Å²	86	105 Å²	105	60%	0.601	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	-2.6	-169.6	-59.2	0	0	0	0	117.7	R38	R38-S40 PolarHBondContact O-N 3.46Å
41	H	30.4	Very low	39	Very low	151 Å²	151	104.8 Å²	104.8	70%	0.699	56%	0.561	S	S	*	*			trans	-160	119.6	-179.7	-113.8	-97.2	0	0	0	116.2
42	E	31.3	Very low	38.6	Very low	152 Å²	152	106 Å²	106	71%	0.71	57%	0.574	S	S	*	*			trans	74.6	119.8	140.8	-76	170.2	151.5	0	0	125.8
43	Q	30.1	Very low	38.9	Very low	191 Å²	191	104 Å²	104	89%	0.893	57%	0.571	S	S	*	*			trans	63.1	89.4	136.5	-64.8	-175.3	-12.5	0	0	121.4
44	G	37.9	Very low	39.1	Very low	62 Å²	62	100.1 Å²	100.1	64%	0.639	55%	0.547	S	S	*	.			trans	-164	140.1	154.9	0	0	0	0	0	108	S46	G44-S46 PolarHBondContact O-N 3.36Å
45	S	44.5	Very low	39.7	Very low	70 Å²	70	104.3 Å²	104.3	49%	0.49	56%	0.562	S	S	.	*			trans	-81.7	108.6	177.2	-89.1	0	0	0	0	109.6
46	S	45.6	Very low	40.4	Very low	79 Å²	79	97.7 Å²	97.7	55%	0.552	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	117.4	166.5	-178.9	0	0	0	0	108.3	G44	G44-S46 PolarHBondContact O-N 3.36Å
47	L	45.1	Very low	41.5	Very low	58 Å²	58	97.6 Å²	97.6	30%	0.304	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.1	173.2	-166	89.6	0	0	0	109.1	T49 V56 S67 L68 L69	L47-T49 HydrophobicContact CD2-CG2 3.9Å; L47-T49 HydrophobicContact CG-CG2 4.18Å; L47-V56 HydrophobicContact CD2-CG1 4.4Å; L47-V56 HydrophobicContact CD2-CG2 4.04Å; L47-S67 PolarHBondContact N-O 3.09Å; L47-L68 HydrophobicContact CB-CD1 4.03Å; L47-L68 HydrophobicContact CD2-CD1 3.53Å; L47-L68 HydrophobicContact CG-CD1 4.41Å; L47-L69 PolarHBondContact O-N 3.11Å; L47-L69 VanDerWaalsContact O-N 3.09Å
48	L	40.5	Very low	42.4	Very low	99 Å²	99	95 Å²	95	52%	0.518	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	169.1	-59.9	-175.9	0	0	0	109.2	L69	L48-L69 HydrophobicContact CD2-CB 3.4Å; L48-L69 VanDerWaalsContact CD2-CB 3.4Å; L48-L69 HydrophobicContact CD2-CD1 3.53Å; L48-L69 HydrophobicContact CD2-CG 4.1Å
49	T	43.6	Very low	43.5	Very low	32 Å²	32	89.4 Å²	89.4	20%	0.196	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.6	171.6	56.1	0	0	0	0	110.7	L47 V56 L69 T70 H71	L47-T49 HydrophobicContact CD2-CG2 3.9Å; L47-T49 HydrophobicContact CG-CG2 4.18Å; T49-V56 HydrophobicContact CG2-CG2 4.23Å; T49-L69 PolarHBondContact N-O 3.31Å; T49-T70 WeakPolarHBondContact OG1-CG2 3.49Å; T49-H71 PolarHBondContact O-N 2.81Å
50	H	37.8	Very low	44.3	Very low	138 Å²	138	87 Å²	87	64%	0.639	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.3	174.7	-64.4	-76.1	0	0	0	109.6	H71	H50-H71 AromaticContact ND1-CG 3.97Å
51	G	35.8	Very low	45.5	Very low	27 Å²	27	84.8 Å²	84.8	28%	0.278	47%	0.468	S	S	.	.	S	Bend	trans	-177	166.5	175.4	0	0	0	0	0	114	S53 H71 G72 P73	G51-S53 PolarHBondContact O-N 3.34Å; G51-H71 PolarHBondContact N-O 3.23Å; G51-G72 VanDerWaalsContact O-CA 3.24Å; G51-G72 WeakPolarHBondContact O-CA 3.41Å; G51-P73 WeakPolarHBondContact O-CD 2.86Å
52	P	35.6	Very low	46.4	Very low	116 Å²	116	81.6 Å²	81.6	75%	0.753	46%	0.459	S	S	*	.	S	Bend	trans	-62.7	-19.5	176.3	25.2	-32.8	0	0	0	113	P73	P52-P73 WeakPolarHBondContact O-CB 3.42Å; P52-P73 VanDerWaalsContact O-CD 3.28Å; P52-P73 WeakPolarHBondContact O-CD 3.41Å; P52-P73 VanDerWaalsContact O-CG 3.31Å; P52-P73 WeakPolarHBondContact O-CG 3.4Å
53	S	49.8	Very low	47.4	Very low	85 Å²	85	80.9 Å²	80.9	59%	0.594	46%	0.456	S	S	*	.	S	Bend	trans	-147.4	114.8	164.7	-177.1	0	0	0	0	106.4	G51 S74	G51-S53 PolarHBondContact O-N 3.34Å; S53-S74 WeakPolarHBondContact CA-O 3.25Å
54	S	51.2	Low	48.4	Very low	6 Å²	6	78.7 Å²	78.7	4%	0.042	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124	175.3	41.2	0	0	0	0	108.9	T70 H71 S74 S75 R76	S54-T70 VanDerWaalsContact OG-CG2 3.32Å; S54-T70 WeakPolarHBondContact OG-CG2 2.96Å; S54-H71 PolarHBondContact OG-O 3.19Å; S54-S74 PolarHBondContact N-O 3.36Å; S54-S75 WeakPolarHBondContact O-CA 3.34Å; S54-R76 PolarHBondContact O-N 3.16Å
55	R	52.8	Low	49	Very low	128 Å²	128	77.8 Å²	77.8	48%	0.483	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128	178.6	-167.1	-176.9	-166.9	-174.2	0.1	108.9	E57 R76 E78	R55-E57 HydrophobicContact CG-CG 4.05Å; R55-E57 IonicContact CZ-OE1 3.03Å; R55-E57 IonicContact CZ-OE2 3.92Å; R55-E57 VanDerWaalsContact NE-CD 3.32Å; R55-E57 IonicContact NE-OE1 3.75Å; R55-E57 PolarHBondContact NE-OE1 3.1Å; R55-E57 IonicContact NE-OE2 3.65Å; R55-E57 IonicContact NH1-OE1 2.86Å; R55-E57 PolarHBondContact NH1-OE1 3.26Å; R55-E57 IonicContact NH1-OE2 3.97Å; R55-E57 IonicContact NH2-OE1 3.95Å; R55-E57 PolarHBondContact NH2-OE1 3Å; R55-R76 VanDerWaalsContact CA-O 3.32Å; R55-R76 WeakPolarHBondContact CA-O 3.03Å; R55-R76 HydrophobicContact CG-CB 4.37Å; R55-E78 IonicContact CZ-OE2 3.96Å; R55-E78 IonicContact NE-OE2 2.87Å; R55-E78 PolarHBondContact NE-OE2 3.08Å; R55-E78 IonicContact NH2-OE1 2.72Å; R55-E78 IonicContact NH2-OE2 3.35Å; R55-E78 PolarHBondContact NH2-OE2 3.44Å
56	V	55.3	Low	49.6	Very low	7 Å²	7	74.9 Å²	74.9	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123	170.9	-179.4	0	0	0	0	107	L47 T49 Q59 L68 R76 V77 E78	L47-V56 HydrophobicContact CD2-CG1 4.4Å; L47-V56 HydrophobicContact CD2-CG2 4.04Å; T49-V56 HydrophobicContact CG2-CG2 4.23Å; V56-Q59 VanDerWaalsContact CG1-CD 3.43Å; V56-Q59 HydrophobicContact CG1-CG 3.8Å; V56-L68 HydrophobicContact CB-CD2 4.48Å; V56-L68 HydrophobicContact CG1-CD1 4.06Å; V56-L68 HydrophobicContact CG1-CD2 4.47Å; V56-L68 HydrophobicContact CG2-CD1 4.35Å; V56-L68 HydrophobicContact CG2-CD2 4.26Å; V56-R76 PolarHBondContact N-O 3.02Å; V56-V77 HydrophobicContact CB-CG2 4.48Å; V56-V77 WeakPolarHBondContact O-CA 3.4Å; V56-E78 PolarHBondContact O-N 3.43Å
57	E	62.7	Low	50	Low	91 Å²	91	73 Å²	73	43%	0.425	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140	179.7	-76.2	-177.1	126.7	0	0	110.2	R55 Q59 E78	R55-E57 HydrophobicContact CG-CG 4.05Å; R55-E57 IonicContact CZ-OE1 3.03Å; R55-E57 IonicContact CZ-OE2 3.92Å; R55-E57 VanDerWaalsContact NE-CD 3.32Å; R55-E57 IonicContact NE-OE1 3.75Å; R55-E57 PolarHBondContact NE-OE1 3.1Å; R55-E57 IonicContact NE-OE2 3.65Å; R55-E57 IonicContact NH1-OE1 2.86Å; R55-E57 PolarHBondContact NH1-OE1 3.26Å; R55-E57 IonicContact NH1-OE2 3.97Å; R55-E57 IonicContact NH2-OE1 3.95Å; R55-E57 PolarHBondContact NH2-OE1 3Å; E57-Q59 PolarHBondContact O-N 3.19Å; E57-E78 WeakPolarHBondContact CA-O 3.2Å; E57-E78 HydrophobicContact CG-CB 4.25Å
58	N	54.3	Low	50.5	Low	109 Å²	109	70.5 Å²	70.5	58%	0.583	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.6	51.8	165.4	-53.7	-43.7	0	0	0	113.6	E78 N79	N58-E78 PolarHBondContact N-O 3.23Å; N58-N79 VanDerWaalsContact CA-O 3.32Å; N58-N79 WeakPolarHBondContact CA-O 3.18Å; N58-N79 WeakPolarHBondContact OD1-CB 3.44Å; N58-N79 PolarHBondContact OD1-ND2 2.86Å
59	Q	59.6	Low	51	Low	42 Å²	42	68.9 Å²	68.9	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.8	171.4	-69.3	-168.2	-41.9	0	0	110.1	V56 E57 N79 Q80 T81	V56-Q59 VanDerWaalsContact CG1-CD 3.43Å; V56-Q59 HydrophobicContact CG1-CG 3.8Å; E57-Q59 PolarHBondContact O-N 3.19Å; Q59-N79 PolarHBondContact N-O 3.36Å; Q59-Q80 HydrophobicContact CB-CG 4.26Å; Q59-Q80 WeakPolarHBondContact O-CA 3.29Å; Q59-T81 PolarHBondContact O-N 3.31Å
60	T	54	Low	51.4	Low	98 Å²	98	67.5 Å²	67.5	60%	0.601	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.3	169.2	-52.5	0	0	0	0	106.2	T62 T81	T60-T62 HydrophobicContact CG2-CG2 4.25Å; T60-T81 WeakPolarHBondContact CA-O 3.32Å
61	E	57.4	Low	51.9	Low	40 Å²	40	65.1 Å²	65.1	19%	0.187	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.3	177.1	-63	-164.7	170.5	0	0	108.7	S66 T81 T83	E61-S66 WeakPolarHBondContact OE2-CB 3.35Å; E61-S66 PolarHBondContact OE2-OG 2.86Å; E61-T81 PolarHBondContact N-O 3.04Å; E61-T83 PolarHBondContact O-N 3.11Å
62	T	49.5	Very low	52.5	Low	83 Å²	83	64 Å²	64	51%	0.509	35%	0.35	S	S	.	.			trans	-124.8	29.6	-174.5	64.3	0	0	0	0	110.1	T60 E84	T60-T62 HydrophobicContact CG2-CG2 4.25Å; T62-E84 VanDerWaalsContact O-CD 3.26Å
63	E	52.1	Low	53.1	Low	138 Å²	138	62 Å²	62	65%	0.645	34%	0.337	S	S	*	.	S	Bend	trans	-129.9	152.5	-179	-68	-166.2	168	0	0	110.5	G65 E84	E63-G65 PolarHBondContact O-N 3.24Å; E63-E84 VanDerWaalsContact C-OE2 3.28Å; E63-E84 VanDerWaalsContact CA-OE2 3.29Å; E63-E84 WeakPolarHBondContact CA-OE2 3.28Å
64	Q	51.5	Low	53.5	Low	145 Å²	145	60.4 Å²	60.4	68%	0.678	33%	0.326	S	S	*	.	S	Bend	trans	-61.5	125.4	179.4	-65.9	-168.1	-32.7	0	0	113.1	E84	Q64-E84 PolarHBondContact N-OE2 2.48Å; Q64-E84 VanDerWaalsContact N-OE2 3.13Å
65	G	51.3	Low	53.8	Low	42 Å²	42	60.2 Å²	60.2	43%	0.433	32%	0.324	S	S	.	.			trans	81.5	79.8	168.1	0	0	0	0	0	114.2	E63 Q85 G86	E63-G65 PolarHBondContact O-N 3.24Å; G65-Q85 PolarHBondContact N-O 3.08Å; G65-G86 WeakPolarHBondContact CA-O 3.44Å
66	S	55.4	Low	54.1	Low	10 Å²	10	57.5 Å²	57.5	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.3	176.8	-69.5	0	0	0	0	111.4	E61 G86 S88	E61-S66 WeakPolarHBondContact OE2-CB 3.35Å; E61-S66 PolarHBondContact OE2-OG 2.86Å; S66-G86 PolarHBondContact N-O 3.25Å; S66-S88 PolarHBondContact O-N 3.48Å; S66-S88 VanDerWaalsContact O-N 3.12Å
67	S	54.6	Low	54.3	Low	40 Å²	40	57.1 Å²	57.1	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.4	172	-176.5	0	0	0	0	110.5	L47 S88	L47-S67 PolarHBondContact N-O 3.09Å; S67-S88 WeakPolarHBondContact CA-O 3.38Å
68	L	55.8	Low	54.6	Low	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.6	174.3	-162.2	100.2	0	0	0	110.2	L47 V56 T70 V77 S88 L89 L90	L47-L68 HydrophobicContact CB-CD1 4.03Å; L47-L68 HydrophobicContact CD2-CD1 3.53Å; L47-L68 HydrophobicContact CG-CD1 4.41Å; V56-L68 HydrophobicContact CB-CD2 4.48Å; V56-L68 HydrophobicContact CG1-CD1 4.06Å; V56-L68 HydrophobicContact CG1-CD2 4.47Å; V56-L68 HydrophobicContact CG2-CD1 4.35Å; V56-L68 HydrophobicContact CG2-CD2 4.26Å; L68-T70 WeakPolarHBondContact CD2-OG1 3.11Å; L68-V77 HydrophobicContact CD2-CG1 4.21Å; L68-V77 HydrophobicContact CD2-CG2 3.7Å; L68-S88 PolarHBondContact N-O 3.1Å; L68-L89 HydrophobicContact CB-CD1 3.95Å; L68-L89 HydrophobicContact CB-CG 4.34Å; L68-L89 HydrophobicContact CD2-CD1 3.43Å; L68-L89 VanDerWaalsContact CD2-CD1 3.43Å; L68-L89 HydrophobicContact CD2-CG 4.11Å; L68-L89 HydrophobicContact CG-CD1 4.29Å; L68-L90 PolarHBondContact O-N 2.93Å
69	L	50.1	Low	55	Low	65 Å²	65	51.7 Å²	51.7	34%	0.34	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.4	176.5	-91.2	161.3	0	0	0	109	L47 L48 T49 L90	L47-L69 PolarHBondContact O-N 3.11Å; L47-L69 VanDerWaalsContact O-N 3.09Å; L48-L69 HydrophobicContact CD2-CB 3.4Å; L48-L69 VanDerWaalsContact CD2-CB 3.4Å; L48-L69 HydrophobicContact CD2-CD1 3.53Å; L48-L69 HydrophobicContact CD2-CG 4.1Å; T49-L69 PolarHBondContact N-O 3.31Å; L69-L90 HydrophobicContact CD2-CB 3.39Å; L69-L90 HydrophobicContact CD2-CD1 3.65Å; L69-L90 HydrophobicContact CD2-CG 4.12Å; L69-L90 HydrophobicContact CG-CB 4.07Å; L69-L90 HydrophobicContact CG-CD1 4.22Å
70	T	53.2	Low	55.3	Low	2 Å²	2	49.9 Å²	49.9	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.4	-177.8	-46.5	0	0	0	0	109.3	T49 S54 L68 L90 H92	T49-T70 WeakPolarHBondContact OG1-CG2 3.49Å; S54-T70 VanDerWaalsContact OG-CG2 3.32Å; S54-T70 WeakPolarHBondContact OG-CG2 2.96Å; L68-T70 WeakPolarHBondContact CD2-OG1 3.11Å; T70-L90 PolarHBondContact N-O 3.29Å; T70-H92 PolarHBondContact O-N 3.34Å
71	H	48.6	Very low	55.7	Low	89 Å²	89	47.6 Å²	47.6	41%	0.412	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.8	-179.3	-175	-78.4	0	0	0	111	T49 H50 G51 S54 H92	T49-H71 PolarHBondContact O-N 2.81Å; H50-H71 AromaticContact ND1-CG 3.97Å; G51-H71 PolarHBondContact N-O 3.23Å; S54-H71 PolarHBondContact OG-O 3.19Å; H71-H92 AromaticContact CD2-CG 3.98Å; H71-H92 AromaticContact CD2-ND1 3.39Å; H71-H92 PolarHBondContact CD2-ND1 3.4Å; H71-H92 AromaticContact NE2-ND1 3.32Å; H71-H92 PolarHBondContact NE2-ND1 3.47Å
72	G	48.7	Very low	55.9	Low	3 Å²	3	46.3 Å²	46.3	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-179.2	163.8	176	0	0	0	0	0	114.5	G51 S74 H92 G93 P94	G51-G72 VanDerWaalsContact O-CA 3.24Å; G51-G72 WeakPolarHBondContact O-CA 3.41Å; G72-S74 PolarHBondContact O-N 3.48Å; G72-S74 VanDerWaalsContact O-N 3.17Å; G72-H92 PolarHBondContact N-O 3.31Å; G72-G93 WeakPolarHBondContact O-CA 3.43Å; G72-P94 WeakPolarHBondContact O-CD 3.49Å
73	P	48.4	Very low	56.1	Low	75 Å²	75	44.6 Å²	44.6	49%	0.487	25%	0.246	S	C	.	.	S	Bend	trans	-51.4	-33.5	172.1	-24.8	31.9	0	0	0	113.7	G51 P52 P94 S95	G51-P73 WeakPolarHBondContact O-CD 2.86Å; P52-P73 WeakPolarHBondContact O-CB 3.42Å; P52-P73 VanDerWaalsContact O-CD 3.28Å; P52-P73 WeakPolarHBondContact O-CD 3.41Å; P52-P73 VanDerWaalsContact O-CG 3.31Å; P52-P73 WeakPolarHBondContact O-CG 3.4Å; P73-P94 VanDerWaalsContact CA-CD 3.47Å; P73-P94 HydrophobicContact CB-CG 4.5Å; P73-P94 WeakPolarHBondContact O-CB 3.49Å; P73-P94 VanDerWaalsContact O-CD 3.26Å; P73-P94 WeakPolarHBondContact O-CD 3.29Å; P73-P94 WeakPolarHBondContact O-CG 3.5Å; P73-S95 PolarHBondContact O-N 2.93Å
74	S	56.7	Low	56.4	Low	51 Å²	51	41.6 Å²	41.6	36%	0.357	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	115	169.9	-179	0	0	0	0	107.3	S53 S54 G72 S95	S53-S74 WeakPolarHBondContact CA-O 3.25Å; S54-S74 PolarHBondContact N-O 3.36Å; G72-S74 PolarHBondContact O-N 3.48Å; G72-S74 VanDerWaalsContact O-N 3.17Å; S74-S95 WeakPolarHBondContact CA-O 2.98Å
75	S	57	Low	56.6	Low	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.9	175.3	48.1	0	0	0	0	109.5	S54 H92 S95 S96 R97	S54-S75 WeakPolarHBondContact O-CA 3.34Å; S75-H92 PolarHBondContact OG-O 2.92Å; S75-S95 PolarHBondContact N-O 3.33Å; S75-S96 WeakPolarHBondContact O-CA 3Å; S75-R97 PolarHBondContact O-N 3.02Å
76	R	60.6	Low	56.7	Low	71 Å²	71	38.7 Å²	38.7	27%	0.268	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.8	177.4	-167.8	175.8	-165.3	-165.1	-6.7	110.9	S54 R55 V56 E78 R97 E99	S54-R76 PolarHBondContact O-N 3.16Å; R55-R76 VanDerWaalsContact CA-O 3.32Å; R55-R76 WeakPolarHBondContact CA-O 3.03Å; R55-R76 HydrophobicContact CG-CB 4.37Å; V56-R76 PolarHBondContact N-O 3.02Å; R76-E78 HydrophobicContact CG-CG 4.11Å; R76-E78 IonicContact CZ-OE1 3.25Å; R76-E78 IonicContact CZ-OE2 2.86Å; R76-E78 VanDerWaalsContact NE-CD 3.31Å; R76-E78 IonicContact NE-OE1 2.74Å; R76-E78 PolarHBondContact NE-OE1 3.3Å; R76-E78 IonicContact NE-OE2 3.21Å; R76-E78 IonicContact NH1-OE1 2.78Å; R76-E78 PolarHBondContact NH1-OE1 2.76Å; R76-E78 IonicContact NH1-OE2 3.28Å; R76-E78 IonicContact NH2-OE1 3.8Å; R76-E78 PolarHBondContact NH2-OE1 3.15Å; R76-R97 WeakPolarHBondContact CA-O 3.27Å; R76-R97 HydrophobicContact CG-CB 4.45Å; R76-E99 IonicContact CZ-OE1 3.51Å; R76-E99 IonicContact NE-OE1 2.78Å; R76-E99 PolarHBondContact NE-OE1 3.49Å; R76-E99 VanDerWaalsContact NH2-CD 3.26Å; R76-E99 IonicContact NH2-OE1 3.97Å; R76-E99 PolarHBondContact NH2-OE1 3.32Å; R76-E99 IonicContact NH2-OE2 3.04Å; R76-E99 PolarHBondContact NH2-OE2 3.29Å
77	V	59.3	Low	56.8	Low	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.8	171.6	-177.8	0	0	0	0	107.9	V56 L68 Q80 L89 T91 R97 V98 E99	V56-V77 HydrophobicContact CB-CG2 4.48Å; V56-V77 WeakPolarHBondContact O-CA 3.4Å; L68-V77 HydrophobicContact CD2-CG1 4.21Å; L68-V77 HydrophobicContact CD2-CG2 3.7Å; V77-Q80 HydrophobicContact CG1-CG 3.66Å; V77-L89 HydrophobicContact CG1-CD1 4.08Å; V77-L89 HydrophobicContact CG2-CD1 4.42Å; V77-T91 HydrophobicContact CG2-CG2 3.68Å; V77-R97 PolarHBondContact N-O 2.04Å; V77-V98 WeakPolarHBondContact O-CA 3.44Å; V77-E99 PolarHBondContact O-N 3.06Å
78	E	69.2	Low	57	Low	21 Å²	21	38.8 Å²	38.8	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	-179.3	-81.1	169.9	128.3	0	0	111.2	R55 V56 E57 N58 R76 E99	R55-E78 IonicContact CZ-OE2 3.96Å; R55-E78 IonicContact NE-OE2 2.87Å; R55-E78 PolarHBondContact NE-OE2 3.08Å; R55-E78 IonicContact NH2-OE1 2.72Å; R55-E78 IonicContact NH2-OE2 3.35Å; R55-E78 PolarHBondContact NH2-OE2 3.44Å; V56-E78 PolarHBondContact O-N 3.43Å; E57-E78 WeakPolarHBondContact CA-O 3.2Å; E57-E78 HydrophobicContact CG-CB 4.25Å; N58-E78 PolarHBondContact N-O 3.23Å; R76-E78 HydrophobicContact CG-CG 4.11Å; R76-E78 IonicContact CZ-OE1 3.25Å; R76-E78 IonicContact CZ-OE2 2.86Å; R76-E78 VanDerWaalsContact NE-CD 3.31Å; R76-E78 IonicContact NE-OE1 2.74Å; R76-E78 PolarHBondContact NE-OE1 3.3Å; R76-E78 IonicContact NE-OE2 3.21Å; R76-E78 IonicContact NH1-OE1 2.78Å; R76-E78 PolarHBondContact NH1-OE1 2.76Å; R76-E78 IonicContact NH1-OE2 3.28Å; R76-E78 IonicContact NH2-OE1 3.8Å; R76-E78 PolarHBondContact NH2-OE1 3.15Å; E78-E99 WeakPolarHBondContact CA-O 3.33Å; E78-E99 HydrophobicContact CG-CB 4.08Å
79	N	63.2	Low	57.1	Low	64 Å²	64	38.7 Å²	38.7	34%	0.342	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56	64.3	170.7	-54.1	-30.5	0	0	0	112.4	N58 Q59 E99 N100	N58-N79 VanDerWaalsContact CA-O 3.32Å; N58-N79 WeakPolarHBondContact CA-O 3.18Å; N58-N79 WeakPolarHBondContact OD1-CB 3.44Å; N58-N79 PolarHBondContact OD1-ND2 2.86Å; Q59-N79 PolarHBondContact N-O 3.36Å; N79-E99 PolarHBondContact N-O 3.35Å; N79-N100 VanDerWaalsContact CA-O 3.29Å; N79-N100 WeakPolarHBondContact CA-O 3.43Å; N79-N100 WeakPolarHBondContact OD1-CB 3.46Å; N79-N100 PolarHBondContact OD1-ND2 3.44Å
80	Q	64.6	Low	57.4	Low	5 Å²	5	38 Å²	38	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.8	171.7	-71.5	-163	-37	0	0	110.7	Q59 V77 N100 Q101 T102	Q59-Q80 HydrophobicContact CB-CG 4.26Å; Q59-Q80 WeakPolarHBondContact O-CA 3.29Å; V77-Q80 HydrophobicContact CG1-CG 3.66Å; Q80-N100 PolarHBondContact N-O 3.19Å; Q80-Q101 HydrophobicContact CB-CG 4.35Å; Q80-Q101 WeakPolarHBondContact O-CA 3.41Å; Q80-T102 PolarHBondContact O-N 3.29Å
81	T	62.7	Low	57.5	Low	49 Å²	49	38 Å²	38	30%	0.301	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.4	175	-52.6	0	0	0	0	108	Q59 T60 E61 T83 T102	Q59-T81 PolarHBondContact O-N 3.31Å; T60-T81 WeakPolarHBondContact CA-O 3.32Å; E61-T81 PolarHBondContact N-O 3.04Å; T81-T83 HydrophobicContact CG2-CG2 4.02Å; T81-T102 WeakPolarHBondContact CA-O 3.35Å
82	E	61.6	Low	57.9	Low	14 Å²	14	37 Å²	37	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.3	179.2	-67.4	-179.6	166.4	0	0	108.1	S87 T102 T104	E82-S87 WeakPolarHBondContact OE2-CB 3.16Å; E82-S87 PolarHBondContact OE2-OG 2.87Å; E82-T102 PolarHBondContact N-O 3.33Å; E82-T102 VanDerWaalsContact N-O 3.14Å; E82-T104 PolarHBondContact O-N 3.35Å
83	T	54.5	Low	58.2	Low	46 Å²	46	37 Å²	37	28%	0.282	21%	0.208	S	C	.	.			trans	-123	22.3	-167.9	65.6	0	0	0	0	113.1	E61 T81 T104	E61-T83 PolarHBondContact O-N 3.11Å; T81-T83 HydrophobicContact CG2-CG2 4.02Å; T83-T104 CarbonylContact C-O 3.59Å
84	E	57	Low	58.5	Low	75 Å²	75	37 Å²	37	35%	0.35	21%	0.208	S	C	.	.	S	Bend	trans	-146.7	170.4	179.9	-70.5	-157	168.3	0	0	113.1	T62 E63 Q64 G86 E105	T62-E84 VanDerWaalsContact O-CD 3.26Å; E63-E84 VanDerWaalsContact C-OE2 3.28Å; E63-E84 VanDerWaalsContact CA-OE2 3.29Å; E63-E84 WeakPolarHBondContact CA-OE2 3.28Å; Q64-E84 PolarHBondContact N-OE2 2.48Å; Q64-E84 VanDerWaalsContact N-OE2 3.13Å; E84-G86 PolarHBondContact O-N 2.8Å; E84-E105 VanDerWaalsContact CA-OE2 3.29Å; E84-E105 WeakPolarHBondContact CA-OE2 3.38Å
85	Q	55.9	Low	58.8	Low	93 Å²	93	37.2 Å²	37.2	44%	0.435	21%	0.209	S	C	.	.	S	Bend	trans	-59.7	126.7	-175.1	-65.7	-166.3	-35.1	0	0	115.2	G65 E105	G65-Q85 PolarHBondContact N-O 3.08Å; Q85-E105 PolarHBondContact N-OE2 3.18Å
86	G	54.1	Low	59.1	Low	33 Å²	33	37.2 Å²	37.2	34%	0.34	21%	0.209	S	C	.	.			trans	84.6	94.5	162.9	0	0	0	0	0	114.5	G65 S66 E84 Q106 G107	G65-G86 WeakPolarHBondContact CA-O 3.44Å; S66-G86 PolarHBondContact N-O 3.25Å; E84-G86 PolarHBondContact O-N 2.8Å; G86-Q106 PolarHBondContact N-O 3.25Å; G86-G107 WeakPolarHBondContact CA-O 3.39Å
87	S	57.4	Low	59.3	Low	13 Å²	13	37.1 Å²	37.1	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.5	179.6	-74.6	0	0	0	0	112.9	E82 G107 S108 S109	E82-S87 WeakPolarHBondContact OE2-CB 3.16Å; E82-S87 PolarHBondContact OE2-OG 2.87Å; S87-G107 PolarHBondContact N-O 3.08Å; S87-G107 VanDerWaalsContact N-O 3.15Å; S87-S108 WeakPolarHBondContact O-CA 3.01Å; S87-S109 PolarHBondContact O-N 3.15Å
88	S	58.1	Low	59.6	Low	39 Å²	39	37.1 Å²	37.1	27%	0.273	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.1	172.4	-172.7	0	0	0	0	111.7	S66 S67 L68 S109	S66-S88 PolarHBondContact O-N 3.48Å; S66-S88 VanDerWaalsContact O-N 3.12Å; S67-S88 WeakPolarHBondContact CA-O 3.38Å; L68-S88 PolarHBondContact N-O 3.1Å; S88-S109 WeakPolarHBondContact CA-O 3.28Å
89	L	59.1	Low	59.8	Low	3 Å²	3	37.1 Å²	37.1	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.1	174.1	-167	125.4	0	0	0	111.1	L68 V77 T91 V98 Q101 S109 L110 L111	L68-L89 HydrophobicContact CB-CD1 3.95Å; L68-L89 HydrophobicContact CB-CG 4.34Å; L68-L89 HydrophobicContact CD2-CD1 3.43Å; L68-L89 VanDerWaalsContact CD2-CD1 3.43Å; L68-L89 HydrophobicContact CD2-CG 4.11Å; L68-L89 HydrophobicContact CG-CD1 4.29Å; V77-L89 HydrophobicContact CG1-CD1 4.08Å; V77-L89 HydrophobicContact CG2-CD1 4.42Å; L89-T91 HydrophobicContact CD2-CG2 3.84Å; L89-V98 HydrophobicContact CD2-CG2 3.98Å; L89-Q101 VanDerWaalsContact CD1-NE2 3.33Å; L89-S109 PolarHBondContact N-O 2.86Å; L89-L110 HydrophobicContact CB-CD1 4.1Å; L89-L110 HydrophobicContact CD2-CD1 3.67Å; L89-L110 HydrophobicContact CD2-CG 4.15Å; L89-L110 HydrophobicContact CG-CD1 4.41Å; L89-L111 PolarHBondContact O-N 3.35Å
90	L	54.7	Low	60	Low	51 Å²	51	36.9 Å²	36.9	27%	0.267	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.3	179.7	-65.3	-179.9	0	0	0	109.2	L68 L69 T70 L111	L68-L90 PolarHBondContact O-N 2.93Å; L69-L90 HydrophobicContact CD2-CB 3.39Å; L69-L90 HydrophobicContact CD2-CD1 3.65Å; L69-L90 HydrophobicContact CD2-CG 4.12Å; L69-L90 HydrophobicContact CG-CB 4.07Å; L69-L90 HydrophobicContact CG-CD1 4.22Å; T70-L90 PolarHBondContact N-O 3.29Å; L90-L111 HydrophobicContact CD2-CB 3.43Å; L90-L111 VanDerWaalsContact CD2-CB 3.43Å; L90-L111 HydrophobicContact CD2-CD1 3.37Å; L90-L111 HydrophobicContact CD2-CG 3.39Å
91	T	57.2	Low	60.2	Low	3 Å²	3	36.9 Å²	36.9	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.3	175.8	38.7	0	0	0	0	110.4	V77 L89 V98 L111 T112 H113	V77-T91 HydrophobicContact CG2-CG2 3.68Å; L89-T91 HydrophobicContact CD2-CG2 3.84Å; T91-V98 HydrophobicContact CG2-CG2 4.16Å; T91-L111 PolarHBondContact N-O 3.02Å; T91-T112 WeakPolarHBondContact OG1-CG2 3.34Å; T91-H113 PolarHBondContact O-N 3.04Å
92	H	55.4	Low	60.4	Low	68 Å²	68	36.9 Å²	36.9	32%	0.315	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.8	178.7	-170.4	-95.5	0	0	0	110.5	T70 H71 G72 S75 H113	T70-H92 PolarHBondContact O-N 3.34Å; H71-H92 AromaticContact CD2-CG 3.98Å; H71-H92 AromaticContact CD2-ND1 3.39Å; H71-H92 PolarHBondContact CD2-ND1 3.4Å; H71-H92 AromaticContact NE2-ND1 3.32Å; H71-H92 PolarHBondContact NE2-ND1 3.47Å; G72-H92 PolarHBondContact N-O 3.31Å; S75-H92 PolarHBondContact OG-O 2.92Å; H92-H113 AromaticContact CD2-CG 3.98Å; H92-H113 AromaticContact CD2-ND1 3.39Å; H92-H113 PolarHBondContact CD2-ND1 3.11Å; H92-H113 AromaticContact NE2-ND1 3.29Å; H92-H113 PolarHBondContact NE2-ND1 3.39Å
93	G	54.8	Low	60.5	Low	3 Å²	3	36.8 Å²	36.8	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	176.1	158.4	175.1	0	0	0	0	0	115.1	G72 S95 H113 G114	G72-G93 WeakPolarHBondContact O-CA 3.43Å; G93-S95 PolarHBondContact O-N 3.2Å; G93-S95 VanDerWaalsContact O-N 3.16Å; G93-H113 PolarHBondContact N-O 3.27Å; G93-H113 VanDerWaalsContact N-O 3.15Å; G93-G114 WeakPolarHBondContact O-CA 3.46Å
94	P	56	Low	60.7	Low	75 Å²	75	36.6 Å²	36.6	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	-46.7	-37.6	168.5	-26.4	31.1	0	0	0	113.9	G72 P73 P115 S116	G72-P94 WeakPolarHBondContact O-CD 3.49Å; P73-P94 VanDerWaalsContact CA-CD 3.47Å; P73-P94 HydrophobicContact CB-CG 4.5Å; P73-P94 WeakPolarHBondContact O-CB 3.49Å; P73-P94 VanDerWaalsContact O-CD 3.26Å; P73-P94 WeakPolarHBondContact O-CD 3.29Å; P73-P94 WeakPolarHBondContact O-CG 3.5Å; P94-P115 VanDerWaalsContact CA-CD 3.45Å; P94-P115 HydrophobicContact CB-CG 4.45Å; P94-P115 WeakPolarHBondContact O-CB 3.44Å; P94-P115 VanDerWaalsContact O-CD 3.31Å; P94-P115 WeakPolarHBondContact O-CD 3.4Å; P94-P115 WeakPolarHBondContact O-CG 3.37Å; P94-S116 PolarHBondContact O-N 3.42Å
95	S	63	Low	60.7	Low	54 Å²	54	36.7 Å²	36.7	38%	0.378	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.8	172.1	178	0	0	0	0	108.4	P73 S74 S75 G93	P73-S95 PolarHBondContact O-N 2.93Å; S74-S95 WeakPolarHBondContact CA-O 2.98Å; S75-S95 PolarHBondContact N-O 3.33Å; G93-S95 PolarHBondContact O-N 3.2Å; G93-S95 VanDerWaalsContact O-N 3.16Å
96	S	61.9	Low	60.8	Low	1 Å²	1	36.4 Å²	36.4	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126	179.1	55.3	0	0	0	0	109.8	S75 T112 S116 R118	S75-S96 WeakPolarHBondContact O-CA 3Å; S96-T112 WeakPolarHBondContact OG-CG2 3.13Å; S96-S116 PolarHBondContact N-O 3.37Å; S96-S116 VanDerWaalsContact N-O 3.09Å; S96-R118 PolarHBondContact O-N 2.82Å
97	R	65.9	Low	60.9	Low	70 Å²	70	36.6 Å²	36.6	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.2	178.7	-167.2	168.6	-172.8	-144.6	-7.6	111.3	S75 R76 V77 E99 R118 E120	S75-R97 PolarHBondContact O-N 3.02Å; R76-R97 WeakPolarHBondContact CA-O 3.27Å; R76-R97 HydrophobicContact CG-CB 4.45Å; V77-R97 PolarHBondContact N-O 2.04Å; R97-E99 WeakPolarHBondContact CD-OE1 2.96Å; R97-E99 HydrophobicContact CG-CG 4.12Å; R97-E99 WeakPolarHBondContact CG-OE1 3.47Å; R97-E99 IonicContact CZ-OE1 2.82Å; R97-E99 IonicContact CZ-OE2 3.15Å; R97-E99 IonicContact NE-OE1 3.71Å; R97-E99 PolarHBondContact NE-OE1 2.98Å; R97-E99 IonicContact NH1-OE1 3.32Å; R97-E99 PolarHBondContact NH1-OE1 3.03Å; R97-E99 IonicContact NH1-OE2 2.61Å; R97-E99 IonicContact NH2-OE1 3.57Å; R97-E99 PolarHBondContact NH2-OE1 3.02Å; R97-E99 IonicContact NH2-OE2 2.67Å; R97-R118 WeakPolarHBondContact CA-O 3.34Å; R97-R118 HydrophobicContact CG-CB 4.42Å; R97-E120 IonicContact CZ-OE1 2.68Å; R97-E120 IonicContact CZ-OE2 2.63Å; R97-E120 IonicContact NE-OE1 2.88Å; R97-E120 PolarHBondContact NE-OE1 3.26Å; R97-E120 IonicContact NH2-OE1 3.95Å; R97-E120 PolarHBondContact NH2-OE1 3.14Å; R97-E120 IonicContact NH2-OE2 3.7Å; R97-E120 PolarHBondContact NH2-OE2 3.47Å
98	V	64.7	Low	61	Low	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	174.5	-178.1	0	0	0	0	108.2	V77 L89 T91 Q101 L110 R118 E120	V77-V98 WeakPolarHBondContact O-CA 3.44Å; L89-V98 HydrophobicContact CD2-CG2 3.98Å; T91-V98 HydrophobicContact CG2-CG2 4.16Å; V98-Q101 HydrophobicContact CG1-CG 3.72Å; V98-L110 HydrophobicContact CG1-CD1 4.22Å; V98-R118 PolarHBondContact N-O 2.84Å; V98-E120 PolarHBondContact O-N 3.16Å
99	E	73.4	Confident	61	Low	20 Å²	20	36.3 Å²	36.3	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.3	-176.8	-77.3	167.9	-115.5	0	0	111.1	R76 V77 E78 N79 R97 E120	R76-E99 IonicContact CZ-OE1 3.51Å; R76-E99 IonicContact NE-OE1 2.78Å; R76-E99 PolarHBondContact NE-OE1 3.49Å; R76-E99 VanDerWaalsContact NH2-CD 3.26Å; R76-E99 IonicContact NH2-OE1 3.97Å; R76-E99 PolarHBondContact NH2-OE1 3.32Å; R76-E99 IonicContact NH2-OE2 3.04Å; R76-E99 PolarHBondContact NH2-OE2 3.29Å; V77-E99 PolarHBondContact O-N 3.06Å; E78-E99 WeakPolarHBondContact CA-O 3.33Å; E78-E99 HydrophobicContact CG-CB 4.08Å; N79-E99 PolarHBondContact N-O 3.35Å; R97-E99 WeakPolarHBondContact CD-OE1 2.96Å; R97-E99 HydrophobicContact CG-CG 4.12Å; R97-E99 WeakPolarHBondContact CG-OE1 3.47Å; R97-E99 IonicContact CZ-OE1 2.82Å; R97-E99 IonicContact CZ-OE2 3.15Å; R97-E99 IonicContact NE-OE1 3.71Å; R97-E99 PolarHBondContact NE-OE1 2.98Å; R97-E99 IonicContact NH1-OE1 3.32Å; R97-E99 PolarHBondContact NH1-OE1 3.03Å; R97-E99 IonicContact NH1-OE2 2.61Å; R97-E99 IonicContact NH2-OE1 3.57Å; R97-E99 PolarHBondContact NH2-OE1 3.02Å; R97-E99 IonicContact NH2-OE2 2.67Å; E99-E120 WeakPolarHBondContact CA-O 3.32Å; E99-E120 HydrophobicContact CG-CB 4.2Å
100	N	68.9	Low	61.1	Low	59 Å²	59	36.3 Å²	36.3	32%	0.316	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.6	67.9	171.4	-52.8	-33.4	0	0	0	112.6	N79 Q80 E120 N121	N79-N100 VanDerWaalsContact CA-O 3.29Å; N79-N100 WeakPolarHBondContact CA-O 3.43Å; N79-N100 WeakPolarHBondContact OD1-CB 3.46Å; N79-N100 PolarHBondContact OD1-ND2 3.44Å; Q80-N100 PolarHBondContact N-O 3.19Å; N100-E120 PolarHBondContact N-O 2.6Å; N100-N121 WeakPolarHBondContact CA-O 3.08Å; N100-N121 WeakPolarHBondContact OD1-CB 3.31Å; N100-N121 PolarHBondContact OD1-ND2 3.41Å
101	Q	68.2	Low	61.3	Low	5 Å²	5	36.9 Å²	36.9	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.9	171.2	-71.5	-178.5	-41.7	0	0	110.5	Q80 L89 V98 N121 Q122 T123	Q80-Q101 HydrophobicContact CB-CG 4.35Å; Q80-Q101 WeakPolarHBondContact O-CA 3.41Å; L89-Q101 VanDerWaalsContact CD1-NE2 3.33Å; V98-Q101 HydrophobicContact CG1-CG 3.72Å; Q101-N121 PolarHBondContact N-O 2.87Å; Q101-Q122 HydrophobicContact CB-CG 4.3Å; Q101-T123 PolarHBondContact O-N 3.47Å
102	T	66.7	Low	61.4	Low	49 Å²	49	36.9 Å²	36.9	30%	0.301	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117	173.6	-53.8	0	0	0	0	107.6	Q80 T81 E82 T104 T123	Q80-T102 PolarHBondContact O-N 3.29Å; T81-T102 WeakPolarHBondContact CA-O 3.35Å; E82-T102 PolarHBondContact N-O 3.33Å; E82-T102 VanDerWaalsContact N-O 3.14Å; T102-T104 HydrophobicContact CG2-CG2 3.89Å; T102-T123 WeakPolarHBondContact CA-O 3.42Å
103	E	64.7	Low	61.6	Low	13 Å²	13	37.6 Å²	37.6	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.7	178.5	-67.4	176.5	179.5	0	0	107.6	S108 T123 T125	E103-S108 WeakPolarHBondContact OE2-CB 3.31Å; E103-S108 PolarHBondContact OE2-OG 3Å; E103-T123 PolarHBondContact N-O 3.23Å; E103-T125 PolarHBondContact O-N 3.39Å; E103-T125 PolarHBondContact O-OG1 3.18Å
104	T	57.6	Low	61.7	Low	42 Å²	42	37.6 Å²	37.6	26%	0.258	21%	0.211	S	C	.	.			trans	-124.2	75.8	-177.5	68.1	0	0	0	0	107.5	E82 T83 T102 T125	E82-T104 PolarHBondContact O-N 3.35Å; T83-T104 CarbonylContact C-O 3.59Å; T102-T104 HydrophobicContact CG2-CG2 3.89Å; T104-T125 WeakPolarHBondContact CA-O 3.43Å; T104-T125 VanDerWaalsContact CG2-OG1 3.32Å; T104-T125 WeakPolarHBondContact CG2-OG1 3.35Å
105	E	57.3	Low	61.9	Low	76 Å²	76	37.5 Å²	37.5	36%	0.355	21%	0.21	S	C	.	.	S	Bend	trans	166	-179.9	160.5	-94.4	177.2	-150.4	0	0	114	E84 Q85 G107 E126	E84-E105 VanDerWaalsContact CA-OE2 3.29Å; E84-E105 WeakPolarHBondContact CA-OE2 3.38Å; Q85-E105 PolarHBondContact N-OE2 3.18Å; E105-G107 PolarHBondContact O-N 3.46Å; E105-E126 WeakPolarHBondContact CA-OE2 3.29Å; E105-E126 WeakPolarHBondContact CG-OE2 3.35Å
106	Q	58.4	Low	62.1	Low	88 Å²	88	37.6 Å²	37.6	41%	0.411	21%	0.211	S	C	.	.	S	Bend	trans	-63.8	125.3	-172	-67.3	-165.9	-37.5	0	0	115.3	G86 Q127	G86-Q106 PolarHBondContact N-O 3.25Å; Q106-Q127 HydrophobicContact CG-CB 4.45Å
107	G	55.5	Low	62.2	Low	36 Å²	36	37.6 Å²	37.6	37%	0.371	21%	0.211	S	C	.	.			trans	85.2	90.3	162.6	0	0	0	0	0	114.6	G86 S87 E105 Q127 G128	G86-G107 WeakPolarHBondContact CA-O 3.39Å; S87-G107 PolarHBondContact N-O 3.08Å; S87-G107 VanDerWaalsContact N-O 3.15Å; E105-G107 PolarHBondContact O-N 3.46Å; G107-Q127 PolarHBondContact N-O 2.93Å; G107-Q127 VanDerWaalsContact N-O 3.15Å; G107-G128 VanDerWaalsContact CA-O 3.28Å; G107-G128 WeakPolarHBondContact CA-O 3.2Å
108	S	58.9	Low	62.4	Low	12 Å²	12	38 Å²	38	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.5	177	-71.2	0	0	0	0	113.5	S87 E103 G128 S129 S130	S87-S108 WeakPolarHBondContact O-CA 3.01Å; E103-S108 WeakPolarHBondContact OE2-CB 3.31Å; E103-S108 PolarHBondContact OE2-OG 3Å; S108-G128 PolarHBondContact N-O 3.44Å; S108-G128 VanDerWaalsContact N-O 3.1Å; S108-S129 WeakPolarHBondContact O-CA 3.4Å; S108-S130 PolarHBondContact O-N 2.93Å
109	S	59.6	Low	62.5	Low	35 Å²	35	38 Å²	38	25%	0.245	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.1	172	-175.1	0	0	0	0	112	S87 S88 L89 S130	S87-S109 PolarHBondContact O-N 3.15Å; S88-S109 WeakPolarHBondContact CA-O 3.28Å; L89-S109 PolarHBondContact N-O 2.86Å; S109-S130 WeakPolarHBondContact CA-O 3.33Å
110	L	61.5	Low	62.6	Low	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.5	172.7	-169.2	126.2	0	0	0	110.7	L89 V98 T112 V119 S130 L131 L132	L89-L110 HydrophobicContact CB-CD1 4.1Å; L89-L110 HydrophobicContact CD2-CD1 3.67Å; L89-L110 HydrophobicContact CD2-CG 4.15Å; L89-L110 HydrophobicContact CG-CD1 4.41Å; V98-L110 HydrophobicContact CG1-CD1 4.22Å; L110-T112 WeakPolarHBondContact CD2-OG1 3.24Å; L110-V119 HydrophobicContact CD2-CG2 4.09Å; L110-S130 PolarHBondContact N-O 3.45Å; L110-L131 HydrophobicContact CB-CD1 4.31Å; L110-L131 HydrophobicContact CD2-CD1 3.66Å; L110-L131 HydrophobicContact CD2-CG 4.11Å; L110-L132 PolarHBondContact O-N 3.44Å
111	L	58.1	Low	62.8	Low	64 Å²	64	38.1 Å²	38.1	34%	0.335	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121	170.5	-39.3	-179.1	0	0	0	109.7	L89 L90 T91 L132	L89-L111 PolarHBondContact O-N 3.35Å; L90-L111 HydrophobicContact CD2-CB 3.43Å; L90-L111 VanDerWaalsContact CD2-CB 3.43Å; L90-L111 HydrophobicContact CD2-CD1 3.37Å; L90-L111 HydrophobicContact CD2-CG 3.39Å; T91-L111 PolarHBondContact N-O 3.02Å; L111-L132 WeakPolarHBondContact CA-O 3.48Å; L111-L132 HydrophobicContact CD2-CB 3.5Å; L111-L132 HydrophobicContact CD2-CD1 3.37Å; L111-L132 HydrophobicContact CD2-CG 4.01Å
112	T	59.9	Low	62.9	Low	2 Å²	2	38.1 Å²	38.1	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.7	173.8	-43.1	0	0	0	0	109.2	T91 S96 L110 L132 H134	T91-T112 WeakPolarHBondContact OG1-CG2 3.34Å; S96-T112 WeakPolarHBondContact OG-CG2 3.13Å; L110-T112 WeakPolarHBondContact CD2-OG1 3.24Å; T112-L132 PolarHBondContact N-O 2.6Å; T112-H134 PolarHBondContact O-N 3.29Å
113	H	59	Low	63	Low	84 Å²	84	38.1 Å²	38.1	39%	0.389	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.1	-179.8	-172.5	-91	0	0	0	111.8	T91 H92 G93 H134	T91-H113 PolarHBondContact O-N 3.04Å; H92-H113 AromaticContact CD2-CG 3.98Å; H92-H113 AromaticContact CD2-ND1 3.39Å; H92-H113 PolarHBondContact CD2-ND1 3.11Å; H92-H113 AromaticContact NE2-ND1 3.29Å; H92-H113 PolarHBondContact NE2-ND1 3.39Å; G93-H113 PolarHBondContact N-O 3.27Å; G93-H113 VanDerWaalsContact N-O 3.15Å; H113-H134 AromaticContact CD2-CG 3.97Å; H113-H134 AromaticContact CD2-ND1 3.41Å; H113-H134 PolarHBondContact CD2-ND1 2.77Å; H113-H134 AromaticContact NE2-ND1 3.29Å; H113-H134 PolarHBondContact NE2-ND1 2.63Å
114	G	57.5	Low	63.1	Low	2 Å²	2	38.1 Å²	38.1	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	179.3	157.4	177.4	0	0	0	0	0	115.4	G93 S116 H134 G135	G93-G114 WeakPolarHBondContact O-CA 3.46Å; G114-S116 PolarHBondContact O-N 2.91Å; G114-S116 VanDerWaalsContact O-N 3.16Å; G114-H134 PolarHBondContact N-O 3.05Å; G114-G135 WeakPolarHBondContact O-CA 3.36Å
115	P	60.2	Low	63.1	Low	74 Å²	74	38.1 Å²	38.1	48%	0.481	21%	0.212	S	C	.	.	S	Bend	trans	-44.6	-38.9	166.9	-27.6	31.8	0	0	0	114.1	P94 P136 S137	P94-P115 VanDerWaalsContact CA-CD 3.45Å; P94-P115 HydrophobicContact CB-CG 4.45Å; P94-P115 WeakPolarHBondContact O-CB 3.44Å; P94-P115 VanDerWaalsContact O-CD 3.31Å; P94-P115 WeakPolarHBondContact O-CD 3.4Å; P94-P115 WeakPolarHBondContact O-CG 3.37Å; P115-P136 VanDerWaalsContact CA-CD 3.45Å; P115-P136 HydrophobicContact CB-CG 4.45Å; P115-P136 WeakPolarHBondContact O-CB 2.99Å; P115-P136 WeakPolarHBondContact O-CD 3.44Å; P115-S137 PolarHBondContact O-N 3.21Å
116	S	66.6	Low	63.3	Low	55 Å²	55	38 Å²	38	39%	0.385	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	105.8	173.6	175.7	0	0	0	0	109	P94 S96 G114	P94-S116 PolarHBondContact O-N 3.42Å; S96-S116 PolarHBondContact N-O 3.37Å; S96-S116 VanDerWaalsContact N-O 3.09Å; G114-S116 PolarHBondContact O-N 2.91Å; G114-S116 VanDerWaalsContact O-N 3.16Å
117	S	64.5	Low	63.4	Low	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	178.6	61.6	0	0	0	0	110.4	S137 S138 R139	S117-S137 PolarHBondContact N-O 2.73Å; S117-S137 VanDerWaalsContact N-O 3.12Å; S117-S138 WeakPolarHBondContact OG-CB 3.21Å; S117-R139 PolarHBondContact O-N 3.36Å
118	R	68.5	Low	63.4	Low	80 Å²	80	37.7 Å²	37.7	30%	0.302	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.8	176.9	-169.2	170	-173.5	-158.8	-10.4	111.8	S96 R97 V98 E120 R139 E141	S96-R118 PolarHBondContact O-N 2.82Å; R97-R118 WeakPolarHBondContact CA-O 3.34Å; R97-R118 HydrophobicContact CG-CB 4.42Å; V98-R118 PolarHBondContact N-O 2.84Å; R118-E120 WeakPolarHBondContact CD-OE1 3.42Å; R118-E120 HydrophobicContact CG-CG 4.16Å; R118-E120 IonicContact CZ-OE1 3.73Å; R118-E120 IonicContact NE-OE1 3.43Å; R118-E120 PolarHBondContact NE-OE1 2.98Å; R118-E120 IonicContact NH1-OE1 3.93Å; R118-E120 PolarHBondContact NH1-OE1 3.07Å; R118-E120 IonicContact NH2-OE1 3.86Å; R118-E120 PolarHBondContact NH2-OE1 3.2Å; R118-E120 IonicContact NH2-OE2 2.73Å; R118-R139 WeakPolarHBondContact CA-O 3.49Å; R118-R139 HydrophobicContact CG-CB 4.4Å; R118-E141 IonicContact CZ-OE2 2.84Å; R118-E141 IonicContact NE-OE2 2.73Å; R118-E141 PolarHBondContact NE-OE2 2.92Å; R118-E141 IonicContact NH2-OE1 3.28Å; R118-E141 IonicContact NH2-OE2 2.9Å; R118-E141 PolarHBondContact NH2-OE2 3.27Å
119	V	67.9	Low	63.5	Low	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.6	175.8	-178.5	0	0	0	0	108.5	L110 Q122 L131 T133 R139 V140 E141	L110-V119 HydrophobicContact CD2-CG2 4.09Å; V119-Q122 HydrophobicContact CG1-CG 3.67Å; V119-Q122 VanDerWaalsContact CG1-NE2 3.32Å; V119-Q122 VanDerWaalsContact CG1-OE1 3.24Å; V119-L131 HydrophobicContact CG1-CD1 4.23Å; V119-T133 HydrophobicContact CG2-CG2 3.86Å; V119-R139 PolarHBondContact N-O 3.25Å; V119-V140 WeakPolarHBondContact O-CA 3.37Å; V119-E141 PolarHBondContact O-N 3.15Å
120	E	76.2	Confident	63.6	Low	22 Å²	22	37.9 Å²	37.9	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.5	-176.6	-74.8	169.1	-127.1	0	0	111.6	R97 V98 E99 N100 R118 E141	R97-E120 IonicContact CZ-OE1 2.68Å; R97-E120 IonicContact CZ-OE2 2.63Å; R97-E120 IonicContact NE-OE1 2.88Å; R97-E120 PolarHBondContact NE-OE1 3.26Å; R97-E120 IonicContact NH2-OE1 3.95Å; R97-E120 PolarHBondContact NH2-OE1 3.14Å; R97-E120 IonicContact NH2-OE2 3.7Å; R97-E120 PolarHBondContact NH2-OE2 3.47Å; V98-E120 PolarHBondContact O-N 3.16Å; E99-E120 WeakPolarHBondContact CA-O 3.32Å; E99-E120 HydrophobicContact CG-CB 4.2Å; N100-E120 PolarHBondContact N-O 2.6Å; R118-E120 WeakPolarHBondContact CD-OE1 3.42Å; R118-E120 HydrophobicContact CG-CG 4.16Å; R118-E120 IonicContact CZ-OE1 3.73Å; R118-E120 IonicContact NE-OE1 3.43Å; R118-E120 PolarHBondContact NE-OE1 2.98Å; R118-E120 IonicContact NH1-OE1 3.93Å; R118-E120 PolarHBondContact NH1-OE1 3.07Å; R118-E120 IonicContact NH2-OE1 3.86Å; R118-E120 PolarHBondContact NH2-OE1 3.2Å; R118-E120 IonicContact NH2-OE2 2.73Å; E120-E141 HydrophobicContact CG-CB 4.36Å; E120-E141 WeakPolarHBondContact CG-OE2 3.35Å
121	N	71.6	Confident	63.7	Low	59 Å²	59	37.9 Å²	37.9	32%	0.316	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.6	67.5	171.9	-53.8	-33.6	0	0	0	112.6	N100 Q101 E141 N142	N100-N121 WeakPolarHBondContact CA-O 3.08Å; N100-N121 WeakPolarHBondContact OD1-CB 3.31Å; N100-N121 PolarHBondContact OD1-ND2 3.41Å; Q101-N121 PolarHBondContact N-O 2.87Å; N121-E141 PolarHBondContact N-O 3.09Å; N121-N142 WeakPolarHBondContact CA-O 3.44Å; N121-N142 WeakPolarHBondContact OD1-CB 3.41Å; N121-N142 PolarHBondContact OD1-ND2 3.02Å
122	Q	70.7	Confident	63.9	Low	5 Å²	5	38.3 Å²	38.3	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.9	171.3	-69.7	-177.8	-43.8	0	0	110.4	Q101 V119 N142 Q143 T144	Q101-Q122 HydrophobicContact CB-CG 4.3Å; V119-Q122 HydrophobicContact CG1-CG 3.67Å; V119-Q122 VanDerWaalsContact CG1-NE2 3.32Å; V119-Q122 VanDerWaalsContact CG1-OE1 3.24Å; Q122-N142 PolarHBondContact N-O 3.28Å; Q122-Q143 HydrophobicContact CB-CG 4.31Å; Q122-T144 PolarHBondContact O-N 2.69Å
123	T	68.3	Low	64	Low	49 Å²	49	38.3 Å²	38.3	30%	0.301	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.3	173.7	-52.7	0	0	0	0	107.7	Q101 T102 E103 T125 T144	Q101-T123 PolarHBondContact O-N 3.47Å; T102-T123 WeakPolarHBondContact CA-O 3.42Å; E103-T123 PolarHBondContact N-O 3.23Å; T123-T125 HydrophobicContact CG2-CG2 3.98Å; T123-T144 WeakPolarHBondContact CA-O 3.33Å
124	E	66.9	Low	64.1	Low	13 Å²	13	38.4 Å²	38.4	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	178.2	-66.9	176.6	-179.7	0	0	107.9	S129 T144 T146	E124-S129 VanDerWaalsContact CD-CB 3.44Å; E124-S129 WeakPolarHBondContact OE2-CB 3.26Å; E124-S129 PolarHBondContact OE2-OG 2.97Å; E124-T144 PolarHBondContact N-O 3.01Å; E124-T146 PolarHBondContact O-N 2.91Å; E124-T146 PolarHBondContact O-OG1 3.46Å
125	T	59.1	Low	64.2	Low	41 Å²	41	38.4 Å²	38.4	25%	0.252	21%	0.213	S	C	.	.			trans	-121.4	90	178.9	67.1	0	0	0	0	107.3	E103 T104 T123 T146	E103-T125 PolarHBondContact O-N 3.39Å; E103-T125 PolarHBondContact O-OG1 3.18Å; T104-T125 WeakPolarHBondContact CA-O 3.43Å; T104-T125 VanDerWaalsContact CG2-OG1 3.32Å; T104-T125 WeakPolarHBondContact CG2-OG1 3.35Å; T123-T125 HydrophobicContact CG2-CG2 3.98Å; T125-T146 WeakPolarHBondContact CA-OG1 3.44Å; T125-T146 WeakPolarHBondContact CB-OG1 3.25Å; T125-T146 WeakPolarHBondContact CG2-OG1 3.19Å
126	E	59.9	Low	64.3	Low	75 Å²	75	38.3 Å²	38.3	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	145.7	-175.4	161.2	-79.6	-177.3	-161.6	0	0	113.1	E105 E147	E105-E126 WeakPolarHBondContact CA-OE2 3.29Å; E105-E126 WeakPolarHBondContact CG-OE2 3.35Å; E126-E147 WeakPolarHBondContact CA-OE2 2.74Å
127	Q	60	Low	64.4	Low	84 Å²	84	38.4 Å²	38.4	39%	0.393	21%	0.214	S	C	.	.	S	Bend	trans	-71.9	127.9	-166	-64.6	-165.4	-36.9	0	0	115.1	Q106 G107 Q148	Q106-Q127 HydrophobicContact CG-CB 4.45Å; G107-Q127 PolarHBondContact N-O 2.93Å; G107-Q127 VanDerWaalsContact N-O 3.15Å; Q127-Q148 WeakPolarHBondContact CA-O 3.38Å; Q127-Q148 HydrophobicContact CG-CB 4.43Å
128	G	56.4	Low	64.4	Low	32 Å²	32	38.5 Å²	38.5	33%	0.33	21%	0.214	S	C	.	.			trans	86	84.7	162.2	0	0	0	0	0	114.6	G107 S108 Q148 G149	G107-G128 VanDerWaalsContact CA-O 3.28Å; G107-G128 WeakPolarHBondContact CA-O 3.2Å; S108-G128 PolarHBondContact N-O 3.44Å; S108-G128 VanDerWaalsContact N-O 3.1Å; G128-Q148 PolarHBondContact N-O 3.42Å; G128-G149 VanDerWaalsContact CA-O 3.27Å; G128-G149 WeakPolarHBondContact CA-O 3.42Å
129	S	60.8	Low	64.5	Low	7 Å²	7	38.1 Å²	38.1	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.1	177.5	-62.7	0	0	0	0	113.1	S108 E124 G149 S150 S151	S108-S129 WeakPolarHBondContact O-CA 3.4Å; E124-S129 VanDerWaalsContact CD-CB 3.44Å; E124-S129 WeakPolarHBondContact OE2-CB 3.26Å; E124-S129 PolarHBondContact OE2-OG 2.97Å; S129-G149 PolarHBondContact N-O 2.87Å; S129-S150 WeakPolarHBondContact O-CA 3.41Å; S129-S151 PolarHBondContact O-N 2.9Å
130	S	61.5	Low	64.6	Low	44 Å²	44	38.1 Å²	38.1	31%	0.308	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	113.4	179.5	-47.2	0	0	0	0	110.8	S108 S109 L110	S108-S130 PolarHBondContact O-N 2.93Å; S109-S130 WeakPolarHBondContact CA-O 3.33Å; L110-S130 PolarHBondContact N-O 3.45Å
131	L	63.5	Low	64.6	Low	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.1	171.5	-169.6	128.8	0	0	0	111.6	L110 V119 T133 V140 S151 L152 L153	L110-L131 HydrophobicContact CB-CD1 4.31Å; L110-L131 HydrophobicContact CD2-CD1 3.66Å; L110-L131 HydrophobicContact CD2-CG 4.11Å; V119-L131 HydrophobicContact CG1-CD1 4.23Å; L131-T133 WeakPolarHBondContact CD2-OG1 3.49Å; L131-V140 HydrophobicContact CD2-CG2 4.14Å; L131-S151 PolarHBondContact N-O 3.46Å; L131-L152 HydrophobicContact CB-CD1 4.28Å; L131-L152 HydrophobicContact CD2-CD1 3.68Å; L131-L152 HydrophobicContact CD2-CG 4.12Å; L131-L152 HydrophobicContact CG-CD1 4.48Å; L131-L153 PolarHBondContact O-N 3.14Å
132	L	62	Low	64.6	Low	73 Å²	73	38.5 Å²	38.5	38%	0.382	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.1	175.5	-79.8	153.6	0	0	0	110	L110 L111 T112 L153	L110-L132 PolarHBondContact O-N 3.44Å; L111-L132 WeakPolarHBondContact CA-O 3.48Å; L111-L132 HydrophobicContact CD2-CB 3.5Å; L111-L132 HydrophobicContact CD2-CD1 3.37Å; L111-L132 HydrophobicContact CD2-CG 4.01Å; T112-L132 PolarHBondContact N-O 2.6Å; L132-L153 WeakPolarHBondContact CA-O 3.37Å; L132-L153 HydrophobicContact CD2-CB 3.35Å; L132-L153 HydrophobicContact CD2-CD1 3.66Å; L132-L153 HydrophobicContact CD2-CG 4.11Å; L132-L153 HydrophobicContact CG-CB 4.09Å; L132-L153 HydrophobicContact CG-CD1 4.41Å
133	T	62.2	Low	64.7	Low	3 Å²	3	38.5 Å²	38.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	173.2	11	0	0	0	0	109.9	V119 L131 V140 L153 T154 H155	V119-T133 HydrophobicContact CG2-CG2 3.86Å; L131-T133 WeakPolarHBondContact CD2-OG1 3.49Å; T133-V140 HydrophobicContact CG2-CG2 4.4Å; T133-L153 PolarHBondContact N-O 2.95Å; T133-T154 PolarHBondContact OG1-OG1 2.91Å; T133-H155 PolarHBondContact O-N 2.83Å
134	H	61.9	Low	64.7	Low	85 Å²	85	38.5 Å²	38.5	39%	0.394	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.6	179.3	-173.1	-89.2	0	0	0	111.3	T112 H113 G114 H155	T112-H134 PolarHBondContact O-N 3.29Å; H113-H134 AromaticContact CD2-CG 3.97Å; H113-H134 AromaticContact CD2-ND1 3.41Å; H113-H134 PolarHBondContact CD2-ND1 2.77Å; H113-H134 AromaticContact NE2-ND1 3.29Å; H113-H134 PolarHBondContact NE2-ND1 2.63Å; G114-H134 PolarHBondContact N-O 3.05Å; H134-H155 AromaticContact CD2-CG 3.97Å; H134-H155 AromaticContact CD2-ND1 3.48Å; H134-H155 PolarHBondContact CD2-ND1 3.3Å; H134-H155 AromaticContact NE2-ND1 3.34Å; H134-H155 PolarHBondContact NE2-ND1 3.31Å
135	G	59.5	Low	64.7	Low	2 Å²	2	38.4 Å²	38.4	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	179.1	157.6	177.8	0	0	0	0	0	115.1	G114 S137 H155 G156	G114-G135 WeakPolarHBondContact O-CA 3.36Å; G135-S137 PolarHBondContact O-N 3.4Å; G135-H155 PolarHBondContact N-O 2.92Å; G135-H155 VanDerWaalsContact N-O 3.17Å; G135-G156 WeakPolarHBondContact O-CA 3.4Å
136	P	62.3	Low	64.8	Low	73 Å²	73	38.2 Å²	38.2	47%	0.474	21%	0.213	S	C	.	.	S	Bend	trans	-44.8	-40.9	166.6	-26.8	31.8	0	0	0	113.9	P115 P157 S158	P115-P136 VanDerWaalsContact CA-CD 3.45Å; P115-P136 HydrophobicContact CB-CG 4.45Å; P115-P136 WeakPolarHBondContact O-CB 2.99Å; P115-P136 WeakPolarHBondContact O-CD 3.44Å; P136-P157 VanDerWaalsContact CA-CD 3.49Å; P136-P157 WeakPolarHBondContact O-CB 3.44Å; P136-P157 WeakPolarHBondContact O-CD 3.41Å; P136-S158 PolarHBondContact O-N 3.03Å
137	S	68	Low	64.8	Low	57 Å²	57	38 Å²	38	40%	0.399	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	108.3	175	177.5	0	0	0	0	109	P115 S117 G135 S158	P115-S137 PolarHBondContact O-N 3.21Å; S117-S137 PolarHBondContact N-O 2.73Å; S117-S137 VanDerWaalsContact N-O 3.12Å; G135-S137 PolarHBondContact O-N 3.4Å; S137-S158 WeakPolarHBondContact CA-O 3.32Å
138	S	66	Low	64.8	Low	2 Å²	2	38.2 Å²	38.2	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.1	178.3	47.7	0	0	0	0	110.8	S117 T154 S158 S159 R160	S117-S138 WeakPolarHBondContact OG-CB 3.21Å; S138-T154 WeakPolarHBondContact OG-CG2 3.38Å; S138-S158 PolarHBondContact N-O 3.1Å; S138-S159 WeakPolarHBondContact O-CA 3.32Å; S138-R160 PolarHBondContact O-N 3.16Å
139	R	69.5	Low	64.8	Low	73 Å²	73	38.4 Å²	38.4	28%	0.275	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.1	178	-168.5	175.7	-167.9	-175	-5.2	111.4	S117 R118 V119 E141 R160 E162	S117-R139 PolarHBondContact O-N 3.36Å; R118-R139 WeakPolarHBondContact CA-O 3.49Å; R118-R139 HydrophobicContact CG-CB 4.4Å; V119-R139 PolarHBondContact N-O 3.25Å; R139-E141 HydrophobicContact CG-CG 4.11Å; R139-E141 IonicContact CZ-OE1 3.32Å; R139-E141 IonicContact NE-OE1 3.09Å; R139-E141 PolarHBondContact NE-OE1 3.42Å; R139-E141 IonicContact NH1-OE1 3.73Å; R139-E141 IonicContact NH2-OE1 3.94Å; R139-E141 PolarHBondContact NH2-OE1 3.01Å; R139-R160 WeakPolarHBondContact CA-O 3.44Å; R139-R160 HydrophobicContact CG-CB 4.43Å; R139-E162 IonicContact CZ-OE1 3.52Å; R139-E162 VanDerWaalsContact CZ-OE1 3.26Å; R139-E162 IonicContact NE-OE1 3.13Å; R139-E162 PolarHBondContact NE-OE1 2.86Å; R139-E162 VanDerWaalsContact NE-OE1 3.1Å; R139-E162 IonicContact NH2-OE1 2.83Å; R139-E162 PolarHBondContact NH2-OE1 3.24Å; R139-E162 IonicContact NH2-OE2 3.37Å; R139-E162 PolarHBondContact NH2-OE2 3.24Å
140	V	69.4	Low	64.8	Low	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.5	175.4	-177.7	0	0	0	0	108.5	V119 L131 T133 Q143 L152 R160 V161 E162	V119-V140 WeakPolarHBondContact O-CA 3.37Å; L131-V140 HydrophobicContact CD2-CG2 4.14Å; T133-V140 HydrophobicContact CG2-CG2 4.4Å; V140-Q143 HydrophobicContact CG1-CG 3.71Å; V140-Q143 VanDerWaalsContact CG1-NE2 3.27Å; V140-Q143 VanDerWaalsContact CG1-OE1 3.28Å; V140-L152 HydrophobicContact CG1-CD1 4.26Å; V140-R160 PolarHBondContact N-O 3.02Å; V140-V161 HydrophobicContact CB-CG2 4.46Å; V140-V161 WeakPolarHBondContact O-CA 3.1Å; V140-E162 PolarHBondContact O-N 3.49Å
141	E	76.5	Confident	64.8	Low	24 Å²	24	37.9 Å²	37.9	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.9	-178.5	-65.5	179.5	140.2	0	0	111.9	R118 V119 E120 N121 R139 E162	R118-E141 IonicContact CZ-OE2 2.84Å; R118-E141 IonicContact NE-OE2 2.73Å; R118-E141 PolarHBondContact NE-OE2 2.92Å; R118-E141 IonicContact NH2-OE1 3.28Å; R118-E141 IonicContact NH2-OE2 2.9Å; R118-E141 PolarHBondContact NH2-OE2 3.27Å; V119-E141 PolarHBondContact O-N 3.15Å; E120-E141 HydrophobicContact CG-CB 4.36Å; E120-E141 WeakPolarHBondContact CG-OE2 3.35Å; N121-E141 PolarHBondContact N-O 3.09Å; R139-E141 HydrophobicContact CG-CG 4.11Å; R139-E141 IonicContact CZ-OE1 3.32Å; R139-E141 IonicContact NE-OE1 3.09Å; R139-E141 PolarHBondContact NE-OE1 3.42Å; R139-E141 IonicContact NH1-OE1 3.73Å; R139-E141 IonicContact NH2-OE1 3.94Å; R139-E141 PolarHBondContact NH2-OE1 3.01Å; E141-E162 WeakPolarHBondContact CA-O 3.37Å; E141-E162 HydrophobicContact CG-CB 4.33Å
142	N	73	Confident	64.8	Low	64 Å²	64	38 Å²	38	34%	0.342	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	69.2	172	-55.8	-30.4	0	0	0	112.4	N121 Q122 E162 N163	N121-N142 WeakPolarHBondContact CA-O 3.44Å; N121-N142 WeakPolarHBondContact OD1-CB 3.41Å; N121-N142 PolarHBondContact OD1-ND2 3.02Å; Q122-N142 PolarHBondContact N-O 3.28Å; N142-E162 PolarHBondContact N-O 3.21Å; N142-N163 WeakPolarHBondContact CA-O 3.48Å; N142-N163 WeakPolarHBondContact OD1-CB 3.48Å; N142-N163 PolarHBondContact OD1-ND2 3.15Å
143	Q	71.4	Confident	64.8	Low	6 Å²	6	37.5 Å²	37.5	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.1	172.4	-71.7	-178.5	-43.9	0	0	110.6	Q122 V140 L152 N163 Q164 T165	Q122-Q143 HydrophobicContact CB-CG 4.31Å; V140-Q143 HydrophobicContact CG1-CG 3.71Å; V140-Q143 VanDerWaalsContact CG1-NE2 3.27Å; V140-Q143 VanDerWaalsContact CG1-OE1 3.28Å; Q143-L152 VanDerWaalsContact CD-CD1 3.46Å; Q143-L152 VanDerWaalsContact NE2-CD1 3.26Å; Q143-N163 PolarHBondContact N-O 3.13Å; Q143-N163 VanDerWaalsContact N-O 3.1Å; Q143-Q164 HydrophobicContact CB-CG 4.36Å; Q143-Q164 WeakPolarHBondContact O-CA 3.21Å; Q143-T165 PolarHBondContact O-N 3Å
144	T	68.9	Low	64.9	Low	49 Å²	49	37.5 Å²	37.5	30%	0.301	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117	173.9	-51	0	0	0	0	107.9	Q122 T123 E124 T146 T165	Q122-T144 PolarHBondContact O-N 2.69Å; T123-T144 WeakPolarHBondContact CA-O 3.33Å; E124-T144 PolarHBondContact N-O 3.01Å; T144-T146 HydrophobicContact CG2-CG2 3.94Å; T144-T165 WeakPolarHBondContact CA-O 3.41Å
145	E	67.5	Low	65	Low	11 Å²	11	37.6 Å²	37.6	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119	176.8	-65.5	178	178.9	0	0	107.8	S150 T165 T167 S171	E145-S150 WeakPolarHBondContact OE2-CB 3.36Å; E145-S150 PolarHBondContact OE2-OG 2.93Å; E145-T165 PolarHBondContact N-O 3.11Å; E145-T167 PolarHBondContact O-N 2.86Å; E145-S171 PolarHBondContact OE2-OG 2.95Å
146	T	60.2	Low	65	Low	37 Å²	37	37.6 Å²	37.6	23%	0.227	21%	0.21	C	C	.	.			trans	-102.3	-4.7	-172	63.4	0	0	0	0	116.6	E124 T125 T144 T167 E168	E124-T146 PolarHBondContact O-N 2.91Å; E124-T146 PolarHBondContact O-OG1 3.46Å; T125-T146 WeakPolarHBondContact CA-OG1 3.44Å; T125-T146 WeakPolarHBondContact CB-OG1 3.25Å; T125-T146 WeakPolarHBondContact CG2-OG1 3.19Å; T144-T146 HydrophobicContact CG2-CG2 3.94Å; T146-T167 VanDerWaalsContact CA-OG1 3.22Å; T146-T167 WeakPolarHBondContact CA-OG1 3.47Å; T146-T167 PolarHBondContact O-OG1 2.92Å; T146-E168 WeakPolarHBondContact O-CG 3.48Å
147	E	60.4	Low	65	Low	71 Å²	71	37.6 Å²	37.6	33%	0.332	21%	0.21	S	C	.	.	S	Bend	trans	-150.7	-172.6	-172.5	-66.5	-159	178.6	0	0	114.7	E126	E126-E147 WeakPolarHBondContact CA-OE2 2.74Å
148	Q	59.6	Low	65	Low	87 Å²	87	37.5 Å²	37.5	41%	0.407	21%	0.21	S	C	.	.	S	Bend	trans	-69.2	128.1	-165.3	-66.7	-165.4	-29.2	0	0	116.3	Q127 G128 Q169	Q127-Q148 WeakPolarHBondContact CA-O 3.38Å; Q127-Q148 HydrophobicContact CG-CB 4.43Å; G128-Q148 PolarHBondContact N-O 3.42Å; Q148-Q169 WeakPolarHBondContact CA-O 3.46Å
149	G	56.9	Low	64.9	Low	36 Å²	36	37.5 Å²	37.5	37%	0.371	21%	0.21	S	C	.	.			trans	86.9	74.6	160.5	0	0	0	0	0	114.6	G128 S129 Q169 G170	G128-G149 VanDerWaalsContact CA-O 3.27Å; G128-G149 WeakPolarHBondContact CA-O 3.42Å; S129-G149 PolarHBondContact N-O 2.87Å; G149-Q169 PolarHBondContact N-O 3.31Å; G149-G170 WeakPolarHBondContact CA-O 3.4Å
150	S	60.6	Low	64.9	Low	7 Å²	7	37.3 Å²	37.3	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.2	179.4	-64.6	0	0	0	0	112	S129 E145 G170 S171 S172	S129-S150 WeakPolarHBondContact O-CA 3.41Å; E145-S150 WeakPolarHBondContact OE2-CB 3.36Å; E145-S150 PolarHBondContact OE2-OG 2.93Å; S150-G170 PolarHBondContact N-O 3.15Å; S150-S171 CarbonylContact O-C 3.56Å; S150-S171 WeakPolarHBondContact O-CA 3.09Å; S150-S172 PolarHBondContact O-N 3.46Å; S150-S172 PolarHBondContact O-OG 2.93Å
151	S	61.8	Low	64.8	Low	34 Å²	34	37.3 Å²	37.3	24%	0.238	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.7	176.2	61.4	0	0	0	0	111.3	S129 L131	S129-S151 PolarHBondContact O-N 2.9Å; L131-S151 PolarHBondContact N-O 3.46Å
152	L	63.8	Low	64.8	Low	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	172.2	-170.8	122.3	0	0	0	110.5	L131 V140 Q143 T154 V161 S172 L173 F174	L131-L152 HydrophobicContact CB-CD1 4.28Å; L131-L152 HydrophobicContact CD2-CD1 3.68Å; L131-L152 HydrophobicContact CD2-CG 4.12Å; L131-L152 HydrophobicContact CG-CD1 4.48Å; V140-L152 HydrophobicContact CG1-CD1 4.26Å; Q143-L152 VanDerWaalsContact CD-CD1 3.46Å; Q143-L152 VanDerWaalsContact NE2-CD1 3.26Å; L152-T154 WeakPolarHBondContact CD2-OG1 3.44Å; L152-V161 HydrophobicContact CD2-CG2 4.08Å; L152-S172 PolarHBondContact N-O 3.49Å; L152-L173 HydrophobicContact CD2-CD1 3.63Å; L152-L173 HydrophobicContact CD2-CG 3.85Å; L152-F174 PolarHBondContact O-N 2.98Å
153	L	62.5	Low	64.7	Low	64 Å²	64	37.1 Å²	37.1	34%	0.335	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.9	179.4	-71.8	179.6	0	0	0	109.6	L131 L132 T133 F174	L131-L153 PolarHBondContact O-N 3.14Å; L132-L153 WeakPolarHBondContact CA-O 3.37Å; L132-L153 HydrophobicContact CD2-CB 3.35Å; L132-L153 HydrophobicContact CD2-CD1 3.66Å; L132-L153 HydrophobicContact CD2-CG 4.11Å; L132-L153 HydrophobicContact CG-CB 4.09Å; L132-L153 HydrophobicContact CG-CD1 4.41Å; T133-L153 PolarHBondContact N-O 2.95Å; L153-F174 HydrophobicContact CD2-CB 3.44Å; L153-F174 VanDerWaalsContact CD2-CB 3.44Å; L153-F174 HydrophobicContact CD2-CD2 3.33Å; L153-F174 HydrophobicContact CD2-CE2 4.26Å; L153-F174 HydrophobicContact CD2-CG 3.6Å; L153-F174 HydrophobicContact CG-CD2 4.45Å
154	T	62.9	Low	64.6	Low	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.1	176.2	-51.6	0	0	0	0	110.1	T133 S138 L152 F174 T175 H176	T133-T154 PolarHBondContact OG1-OG1 2.91Å; S138-T154 WeakPolarHBondContact OG-CG2 3.38Å; L152-T154 WeakPolarHBondContact CD2-OG1 3.44Å; T154-F174 PolarHBondContact N-O 3.42Å; T154-T175 WeakPolarHBondContact O-CA 3.07Å; T154-H176 PolarHBondContact O-N 2.75Å
155	H	63.6	Low	64.6	Low	86 Å²	86	37.2 Å²	37.2	40%	0.398	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.8	-179.4	-171.7	-88.8	0	0	0	111	T133 H134 G135 H176	T133-H155 PolarHBondContact O-N 2.83Å; H134-H155 AromaticContact CD2-CG 3.97Å; H134-H155 AromaticContact CD2-ND1 3.48Å; H134-H155 PolarHBondContact CD2-ND1 3.3Å; H134-H155 AromaticContact NE2-ND1 3.34Å; H134-H155 PolarHBondContact NE2-ND1 3.31Å; G135-H155 PolarHBondContact N-O 2.92Å; G135-H155 VanDerWaalsContact N-O 3.17Å; H155-H176 AromaticContact CD2-CG 3.9Å; H155-H176 AromaticContact CD2-ND1 3.37Å; H155-H176 PolarHBondContact CD2-ND1 2.98Å; H155-H176 AromaticContact NE2-CE1 3.94Å; H155-H176 AromaticContact NE2-ND1 3.14Å; H155-H176 PolarHBondContact NE2-ND1 3.01Å; H155-H176 VanDerWaalsContact NE2-ND1 3.14Å
156	G	60.5	Low	64.5	Low	3 Å²	3	37.2 Å²	37.2	3%	0.031	21%	0.208	C	C	.	.	S	Bend	trans	173.6	154.6	178	0	0	0	0	0	115.1	G135 S158 H176 G177	G135-G156 WeakPolarHBondContact O-CA 3.4Å; G156-S158 PolarHBondContact O-N 3.32Å; G156-H176 PolarHBondContact N-O 3.45Å; G156-G177 WeakPolarHBondContact O-CA 3.43Å
157	P	62.8	Low	64.5	Low	72 Å²	72	37.5 Å²	37.5	47%	0.468	21%	0.21	S	C	.	.	S	Bend	trans	-44.4	-42.2	167	-25.5	29.8	0	0	0	114.1	P136 P178 S179	P136-P157 VanDerWaalsContact CA-CD 3.49Å; P136-P157 WeakPolarHBondContact O-CB 3.44Å; P136-P157 WeakPolarHBondContact O-CD 3.41Å; P157-P178 HydrophobicContact CB-CG 4.3Å; P157-P178 WeakPolarHBondContact O-CG 3.42Å; P157-S179 PolarHBondContact O-N 3.42Å
158	S	67.1	Low	64.5	Low	56 Å²	56	37.9 Å²	37.9	39%	0.392	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	106.3	175.6	178.6	0	0	0	0	109.2	P136 S137 S138 G156 S179	P136-S158 PolarHBondContact O-N 3.03Å; S137-S158 WeakPolarHBondContact CA-O 3.32Å; S138-S158 PolarHBondContact N-O 3.1Å; G156-S158 PolarHBondContact O-N 3.32Å; S158-S179 WeakPolarHBondContact CA-O 3.49Å
159	S	65.1	Low	64.3	Low	2 Å²	2	37.9 Å²	37.9	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.4	176.8	51	0	0	0	0	111	S138 S179 S180 R181	S138-S159 WeakPolarHBondContact O-CA 3.32Å; S159-S179 PolarHBondContact N-O 3.21Å; S159-S180 WeakPolarHBondContact O-CA 3.22Å; S159-S180 WeakPolarHBondContact OG-CB 3.38Å; S159-R181 PolarHBondContact O-N 3.41Å
160	R	68.4	Low	64.2	Low	68 Å²	68	37.8 Å²	37.8	26%	0.257	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.8	175.8	-167.5	170.7	-170.6	-147.5	-7.6	111.7	S138 R139 V140 E162 R181 E183	S138-R160 PolarHBondContact O-N 3.16Å; R139-R160 WeakPolarHBondContact CA-O 3.44Å; R139-R160 HydrophobicContact CG-CB 4.43Å; V140-R160 PolarHBondContact N-O 3.02Å; R160-E162 WeakPolarHBondContact CD-OE1 3.34Å; R160-E162 HydrophobicContact CG-CG 4.19Å; R160-E162 IonicContact CZ-OE1 3.7Å; R160-E162 IonicContact CZ-OE2 3.58Å; R160-E162 IonicContact NE-OE1 2.68Å; R160-E162 PolarHBondContact NE-OE1 3.08Å; R160-E162 IonicContact NH1-OE1 2.91Å; R160-E162 PolarHBondContact NH1-OE1 2.84Å; R160-E162 IonicContact NH2-OE1 3.24Å; R160-E162 PolarHBondContact NH2-OE1 3.28Å; R160-E162 IonicContact NH2-OE2 3.23Å; R160-R181 CarbonylContact C-O 3.56Å; R160-R181 VanDerWaalsContact CA-O 3.31Å; R160-R181 WeakPolarHBondContact CA-O 3.44Å; R160-R181 HydrophobicContact CG-CB 4.36Å; R160-E183 IonicContact CZ-OE1 3.64Å; R160-E183 VanDerWaalsContact CZ-OE1 3.28Å; R160-E183 IonicContact NE-OE1 2.85Å; R160-E183 PolarHBondContact NE-OE1 2.75Å; R160-E183 VanDerWaalsContact NH2-CD 3.28Å; R160-E183 IonicContact NH2-OE1 2.58Å; R160-E183 PolarHBondContact NH2-OE1 3.49Å; R160-E183 IonicContact NH2-OE2 3.81Å; R160-E183 PolarHBondContact NH2-OE2 3.19Å; R160-E183 VanDerWaalsContact NH2-OE2 3.09Å
161	V	68.4	Low	64.1	Low	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.7	175.4	-178	0	0	0	0	108.5	V140 L152 Q164 L173 T175 R181 V182 E183	V140-V161 HydrophobicContact CB-CG2 4.46Å; V140-V161 WeakPolarHBondContact O-CA 3.1Å; L152-V161 HydrophobicContact CD2-CG2 4.08Å; V161-Q164 HydrophobicContact CG1-CG 3.61Å; V161-Q164 VanDerWaalsContact CG1-NE2 3.31Å; V161-L173 HydrophobicContact CG1-CD1 4.04Å; V161-L173 HydrophobicContact CG2-CD1 4.49Å; V161-T175 HydrophobicContact CG2-CG2 3.7Å; V161-R181 PolarHBondContact N-O 3.44Å; V161-V182 HydrophobicContact CB-CG2 4.43Å; V161-V182 CarbonylContact O-C 3.55Å; V161-V182 WeakPolarHBondContact O-CA 3.35Å; V161-E183 PolarHBondContact O-N 3.31Å
162	E	74.7	Confident	64	Low	25 Å²	25	37.4 Å²	37.4	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.7	-177.7	-73.7	169.2	-120.7	0	0	111.5	R139 V140 E141 N142 R160 E183	R139-E162 IonicContact CZ-OE1 3.52Å; R139-E162 VanDerWaalsContact CZ-OE1 3.26Å; R139-E162 IonicContact NE-OE1 3.13Å; R139-E162 PolarHBondContact NE-OE1 2.86Å; R139-E162 VanDerWaalsContact NE-OE1 3.1Å; R139-E162 IonicContact NH2-OE1 2.83Å; R139-E162 PolarHBondContact NH2-OE1 3.24Å; R139-E162 IonicContact NH2-OE2 3.37Å; R139-E162 PolarHBondContact NH2-OE2 3.24Å; V140-E162 PolarHBondContact O-N 3.49Å; E141-E162 WeakPolarHBondContact CA-O 3.37Å; E141-E162 HydrophobicContact CG-CB 4.33Å; N142-E162 PolarHBondContact N-O 3.21Å; R160-E162 WeakPolarHBondContact CD-OE1 3.34Å; R160-E162 HydrophobicContact CG-CG 4.19Å; R160-E162 IonicContact CZ-OE1 3.7Å; R160-E162 IonicContact CZ-OE2 3.58Å; R160-E162 IonicContact NE-OE1 2.68Å; R160-E162 PolarHBondContact NE-OE1 3.08Å; R160-E162 IonicContact NH1-OE1 2.91Å; R160-E162 PolarHBondContact NH1-OE1 2.84Å; R160-E162 IonicContact NH2-OE1 3.24Å; R160-E162 PolarHBondContact NH2-OE1 3.28Å; R160-E162 IonicContact NH2-OE2 3.23Å; E162-E183 WeakPolarHBondContact CA-O 3.33Å; E162-E183 HydrophobicContact CG-CB 4.17Å
163	N	71.5	Confident	64	Low	60 Å²	60	37.4 Å²	37.4	32%	0.321	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	69.9	173.2	-55.2	-32.5	0	0	0	112.8	N142 Q143 E183 N184	N142-N163 WeakPolarHBondContact CA-O 3.48Å; N142-N163 WeakPolarHBondContact OD1-CB 3.48Å; N142-N163 PolarHBondContact OD1-ND2 3.15Å; Q143-N163 PolarHBondContact N-O 3.13Å; Q143-N163 VanDerWaalsContact N-O 3.1Å; N163-E183 PolarHBondContact N-O 3.08Å; N163-N184 VanDerWaalsContact CA-O 3.28Å; N163-N184 WeakPolarHBondContact CA-O 3.35Å; N163-N184 VanDerWaalsContact OD1-CB 3.3Å; N163-N184 WeakPolarHBondContact OD1-CB 3.36Å; N163-N184 PolarHBondContact OD1-ND2 2.82Å
164	Q	69.7	Low	63.8	Low	8 Å²	8	38.2 Å²	38.2	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.4	171.6	-68.4	-173.2	-44.5	0	0	110.8	Q143 V161 L173 N184 Q185 T186	Q143-Q164 HydrophobicContact CB-CG 4.36Å; Q143-Q164 WeakPolarHBondContact O-CA 3.21Å; V161-Q164 HydrophobicContact CG1-CG 3.61Å; V161-Q164 VanDerWaalsContact CG1-NE2 3.31Å; Q164-L173 VanDerWaalsContact CD-CD1 3.49Å; Q164-N184 PolarHBondContact N-O 3.42Å; Q164-Q185 HydrophobicContact CB-CG 4.31Å; Q164-Q185 WeakPolarHBondContact O-CA 3.28Å; Q164-T186 PolarHBondContact O-N 3.23Å
165	T	67.9	Low	63.6	Low	48 Å²	48	38.1 Å²	38.1	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.1	174	-50.2	0	0	0	0	108.4	Q143 T144 E145 T167 T186	Q143-T165 PolarHBondContact O-N 3Å; T144-T165 WeakPolarHBondContact CA-O 3.41Å; E145-T165 PolarHBondContact N-O 3.11Å; T165-T167 HydrophobicContact CG2-CG2 4.06Å; T165-T186 WeakPolarHBondContact CA-O 3.3Å
166	E	66.8	Low	63.4	Low	11 Å²	11	39 Å²	39	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.7	176.4	-64.7	177.1	178.5	0	0	107.7	S171 T186 T188 S192	E166-S171 VanDerWaalsContact OE1-CB 3.27Å; E166-S171 WeakPolarHBondContact OE1-CB 3.46Å; E166-S171 WeakPolarHBondContact OE2-CB 3.48Å; E166-T186 PolarHBondContact N-O 2.97Å; E166-T188 PolarHBondContact O-N 3.17Å; E166-T188 VanDerWaalsContact O-N 3.1Å; E166-T188 PolarHBondContact O-OG1 3.43Å; E166-S192 WeakPolarHBondContact OE2-CB 3.39Å; E166-S192 PolarHBondContact OE2-OG 3.11Å
167	T	59.4	Low	63.3	Low	44 Å²	44	39 Å²	39	27%	0.27	21%	0.213	S	C	.	.			trans	-97.8	-12.4	-175.3	63.6	0	0	0	0	116.2	E145 T146 T165 T188	E145-T167 PolarHBondContact O-N 2.86Å; T146-T167 VanDerWaalsContact CA-OG1 3.22Å; T146-T167 WeakPolarHBondContact CA-OG1 3.47Å; T146-T167 PolarHBondContact O-OG1 2.92Å; T165-T167 HydrophobicContact CG2-CG2 4.06Å; T167-T188 VanDerWaalsContact CA-OG1 3.22Å; T167-T188 WeakPolarHBondContact CA-OG1 3.29Å; T167-T188 PolarHBondContact O-OG1 2.68Å
168	E	59.9	Low	63	Low	78 Å²	78	39.2 Å²	39.2	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-146	-172	-173	-69.4	-157.8	167.9	0	0	115	T146	T146-E168 WeakPolarHBondContact O-CG 3.48Å
169	Q	56.5	Low	62.9	Low	88 Å²	88	39.2 Å²	39.2	41%	0.411	21%	0.214	S	C	.	.	S	Bend	trans	-73.4	129.7	-166.3	-63.3	-162.5	-27	0	0	115.7	Q148 G149 Q190	Q148-Q169 WeakPolarHBondContact CA-O 3.46Å; G149-Q169 PolarHBondContact N-O 3.31Å; Q169-Q190 VanDerWaalsContact CA-O 3.3Å; Q169-Q190 WeakPolarHBondContact CA-O 3.32Å; Q169-Q190 WeakPolarHBondContact CG-O 3.42Å
170	G	55.5	Low	62.6	Low	34 Å²	34	39.1 Å²	39.1	35%	0.351	21%	0.214	S	C	.	.			trans	93.7	48.9	159.6	0	0	0	0	0	115.3	G149 S150	G149-G170 WeakPolarHBondContact CA-O 3.4Å; S150-G170 PolarHBondContact N-O 3.15Å
171	S	57.6	Low	62.5	Low	3 Å²	3	39.7 Å²	39.7	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.8	171.9	-68.7	0	0	0	0	111.9	E145 S150 E166 S192 S193	E145-S171 PolarHBondContact OE2-OG 2.95Å; S150-S171 CarbonylContact O-C 3.56Å; S150-S171 WeakPolarHBondContact O-CA 3.09Å; E166-S171 VanDerWaalsContact OE1-CB 3.27Å; E166-S171 WeakPolarHBondContact OE1-CB 3.46Å; E166-S171 WeakPolarHBondContact OE2-CB 3.48Å; S171-S192 VanDerWaalsContact O-CA 3.3Å; S171-S192 WeakPolarHBondContact O-CA 3.36Å; S171-S193 PolarHBondContact O-N 3.48Å
172	S	59.9	Low	62.3	Low	30 Å²	30	39.7 Å²	39.7	21%	0.21	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.6	178.1	60.6	0	0	0	0	111.1	S150 L152 S193	S150-S172 PolarHBondContact O-N 3.46Å; S150-S172 PolarHBondContact O-OG 2.93Å; L152-S172 PolarHBondContact N-O 3.49Å; S172-S193 WeakPolarHBondContact CA-O 3.4Å
173	L	62.7	Low	62.1	Low	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.1	174.2	-176.9	142.9	0	0	0	110.2	L152 V161 Q164 T175 V182 S193 L194 L195	L152-L173 HydrophobicContact CD2-CD1 3.63Å; L152-L173 HydrophobicContact CD2-CG 3.85Å; V161-L173 HydrophobicContact CG1-CD1 4.04Å; V161-L173 HydrophobicContact CG2-CD1 4.49Å; Q164-L173 VanDerWaalsContact CD-CD1 3.49Å; L173-T175 HydrophobicContact CD2-CG2 3.73Å; L173-T175 HydrophobicContact CG-CG2 4.48Å; L173-V182 HydrophobicContact CD2-CG2 4.15Å; L173-S193 PolarHBondContact N-O 3.43Å; L173-L194 HydrophobicContact CB-CD1 4.22Å; L173-L194 HydrophobicContact CD2-CD1 3.71Å; L173-L194 HydrophobicContact CD2-CG 4.21Å; L173-L194 HydrophobicContact CG-CD1 4.36Å; L173-L195 PolarHBondContact O-N 3.41Å
174	F	59.5	Low	61.8	Low	81 Å²	81	39.7 Å²	39.7	36%	0.355	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.7	167	-43.8	-113.5	0	0	0	111.1	L152 L153 T154 L195	L152-F174 PolarHBondContact O-N 2.98Å; L153-F174 HydrophobicContact CD2-CB 3.44Å; L153-F174 VanDerWaalsContact CD2-CB 3.44Å; L153-F174 HydrophobicContact CD2-CD2 3.33Å; L153-F174 HydrophobicContact CD2-CE2 4.26Å; L153-F174 HydrophobicContact CD2-CG 3.6Å; L153-F174 HydrophobicContact CG-CD2 4.45Å; T154-F174 PolarHBondContact N-O 3.42Å; F174-L195 WeakPolarHBondContact CA-O 3.19Å; F174-L195 HydrophobicContact CD1-CB 3.71Å; F174-L195 HydrophobicContact CD1-CD1 3.69Å; F174-L195 HydrophobicContact CD1-CG 4.3Å; F174-L195 HydrophobicContact CE1-CB 4.24Å; F174-L195 HydrophobicContact CE1-CD1 3.35Å; F174-L195 HydrophobicContact CE1-CG 4.32Å; F174-L195 HydrophobicContact CG-CB 4.44Å; F174-L195 HydrophobicContact CZ-CD1 4.35Å
175	T	58.8	Low	61.7	Low	2 Å²	2	39.5 Å²	39.5	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120	173.4	41.6	0	0	0	0	109	T154 V161 L173 V182 L195 T196 H197	T154-T175 WeakPolarHBondContact O-CA 3.07Å; V161-T175 HydrophobicContact CG2-CG2 3.7Å; L173-T175 HydrophobicContact CD2-CG2 3.73Å; L173-T175 HydrophobicContact CG-CG2 4.48Å; T175-V182 HydrophobicContact CG2-CG2 4.19Å; T175-L195 PolarHBondContact N-O 3.32Å; T175-T196 WeakPolarHBondContact O-CA 3.49Å; T175-T196 WeakPolarHBondContact OG1-CG2 3.38Å; T175-T196 PolarHBondContact OG1-OG1 2.93Å; T175-H197 PolarHBondContact O-N 3.38Å
176	H	59.9	Low	61.5	Low	105 Å²	105	39.6 Å²	39.6	49%	0.486	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.5	-179.1	-172.4	-95.3	0	0	0	110.5	T154 H155 G156	T154-H176 PolarHBondContact O-N 2.75Å; H155-H176 AromaticContact CD2-CG 3.9Å; H155-H176 AromaticContact CD2-ND1 3.37Å; H155-H176 PolarHBondContact CD2-ND1 2.98Å; H155-H176 AromaticContact NE2-CE1 3.94Å; H155-H176 AromaticContact NE2-ND1 3.14Å; H155-H176 PolarHBondContact NE2-ND1 3.01Å; H155-H176 VanDerWaalsContact NE2-ND1 3.14Å; G156-H176 PolarHBondContact N-O 3.45Å
177	G	57.8	Low	61.4	Low	3 Å²	3	40.3 Å²	40.3	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	171.2	150.1	-179.2	0	0	0	0	0	114.5	G156 S179 H197 G198	G156-G177 WeakPolarHBondContact O-CA 3.43Å; G177-S179 PolarHBondContact O-N 2.98Å; G177-H197 PolarHBondContact N-O 3.19Å; G177-H197 VanDerWaalsContact O-O 3.11Å; G177-G198 WeakPolarHBondContact O-CA 3.16Å
178	P	56.5	Low	61.2	Low	75 Å²	75	40.8 Å²	40.8	49%	0.487	22%	0.222	S	C	.	.	S	Bend	trans	-52.9	-32.8	172.7	13.2	-25.5	0	0	0	114.2	P157 P199 S200	P157-P178 HydrophobicContact CB-CG 4.3Å; P157-P178 WeakPolarHBondContact O-CG 3.42Å; P178-P199 HydrophobicContact CB-CG 4.14Å; P178-S200 WeakPolarHBondContact O-CB 3.49Å; P178-S200 PolarHBondContact O-N 2.71Å
179	S	63.8	Low	61	Low	56 Å²	56	42.1 Å²	42.1	39%	0.392	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	107.5	170	179.4	0	0	0	0	109.8	P157 S158 S159 G177	P157-S179 PolarHBondContact O-N 3.42Å; S158-S179 WeakPolarHBondContact CA-O 3.49Å; S159-S179 PolarHBondContact N-O 3.21Å; G177-S179 PolarHBondContact O-N 2.98Å
180	S	60.6	Low	60.8	Low	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.2	179.6	47.4	0	0	0	0	110.7	S159 T196 S200 S201 R202	S159-S180 WeakPolarHBondContact O-CA 3.22Å; S159-S180 WeakPolarHBondContact OG-CB 3.38Å; S180-T196 WeakPolarHBondContact OG-CG2 3.2Å; S180-S200 PolarHBondContact N-O 3.46Å; S180-S201 CarbonylContact O-C 3.59Å; S180-S201 WeakPolarHBondContact O-CA 3.4Å; S180-S201 WeakPolarHBondContact OG-CB 3.2Å; S180-R202 PolarHBondContact O-N 2.93Å
181	R	64.3	Low	60.7	Low	79 Å²	79	45.1 Å²	45.1	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.6	178.6	-167.6	170.7	-172.9	-153.5	-10.5	112.1	S159 R160 V161 E183 R202 E204	S159-R181 PolarHBondContact O-N 3.41Å; R160-R181 CarbonylContact C-O 3.56Å; R160-R181 VanDerWaalsContact CA-O 3.31Å; R160-R181 WeakPolarHBondContact CA-O 3.44Å; R160-R181 HydrophobicContact CG-CB 4.36Å; V161-R181 PolarHBondContact N-O 3.44Å; R181-E183 WeakPolarHBondContact CD-OE1 3.45Å; R181-E183 HydrophobicContact CG-CG 4.27Å; R181-E183 VanDerWaalsContact CZ-CD 3.45Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact CZ-OE2 3.2Å; R181-E183 IonicContact NE-OE1 3.28Å; R181-E183 PolarHBondContact NE-OE1 2.91Å; R181-E183 IonicContact NH1-OE1 2.65Å; R181-E183 PolarHBondContact NH1-OE1 2.66Å; R181-E183 VanDerWaalsContact NH1-OE1 3.13Å; R181-E183 IonicContact NH2-OE1 2.8Å; R181-E183 PolarHBondContact NH2-OE1 3.25Å; R181-E183 IonicContact NH2-OE2 3.66Å; R181-R202 CarbonylContact C-O 3.6Å; R181-R202 VanDerWaalsContact CA-O 3.29Å; R181-R202 WeakPolarHBondContact CA-O 3.33Å; R181-R202 HydrophobicContact CG-CB 4.43Å; R181-E204 IonicContact CZ-OE2 2.98Å; R181-E204 IonicContact NE-OE2 3.81Å; R181-E204 IonicContact NH2-OE2 2.92Å; R181-E204 PolarHBondContact NH2-OE2 2.99Å
182	V	64.2	Low	60.5	Low	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.4	174.9	-176.3	0	0	0	0	108.6	V161 L173 T175 Q185 L194 R202 V203 E204	V161-V182 HydrophobicContact CB-CG2 4.43Å; V161-V182 CarbonylContact O-C 3.55Å; V161-V182 WeakPolarHBondContact O-CA 3.35Å; L173-V182 HydrophobicContact CD2-CG2 4.15Å; T175-V182 HydrophobicContact CG2-CG2 4.19Å; V182-Q185 HydrophobicContact CG1-CG 3.64Å; V182-Q185 VanDerWaalsContact CG1-NE2 3.34Å; V182-L194 HydrophobicContact CG1-CD1 4.42Å; V182-R202 PolarHBondContact N-O 2.76Å; V182-V203 HydrophobicContact CB-CG1 4.4Å; V182-V203 HydrophobicContact CB-CG2 4.39Å; V182-V203 CarbonylContact O-C 3.59Å; V182-V203 WeakPolarHBondContact O-CA 3.45Å; V182-E204 PolarHBondContact O-N 3.26Å
183	E	70.5	Confident	60.3	Low	26 Å²	26	48.1 Å²	48.1	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.2	-177.4	-79.6	168.7	-117.8	0	0	111.6	R160 V161 E162 N163 R181 E204	R160-E183 IonicContact CZ-OE1 3.64Å; R160-E183 VanDerWaalsContact CZ-OE1 3.28Å; R160-E183 IonicContact NE-OE1 2.85Å; R160-E183 PolarHBondContact NE-OE1 2.75Å; R160-E183 VanDerWaalsContact NH2-CD 3.28Å; R160-E183 IonicContact NH2-OE1 2.58Å; R160-E183 PolarHBondContact NH2-OE1 3.49Å; R160-E183 IonicContact NH2-OE2 3.81Å; R160-E183 PolarHBondContact NH2-OE2 3.19Å; R160-E183 VanDerWaalsContact NH2-OE2 3.09Å; V161-E183 PolarHBondContact O-N 3.31Å; E162-E183 WeakPolarHBondContact CA-O 3.33Å; E162-E183 HydrophobicContact CG-CB 4.17Å; N163-E183 PolarHBondContact N-O 3.08Å; R181-E183 WeakPolarHBondContact CD-OE1 3.45Å; R181-E183 HydrophobicContact CG-CG 4.27Å; R181-E183 VanDerWaalsContact CZ-CD 3.45Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact CZ-OE2 3.2Å; R181-E183 IonicContact NE-OE1 3.28Å; R181-E183 PolarHBondContact NE-OE1 2.91Å; R181-E183 IonicContact NH1-OE1 2.65Å; R181-E183 PolarHBondContact NH1-OE1 2.66Å; R181-E183 VanDerWaalsContact NH1-OE1 3.13Å; R181-E183 IonicContact NH2-OE1 2.8Å; R181-E183 PolarHBondContact NH2-OE1 3.25Å; R181-E183 IonicContact NH2-OE2 3.66Å; E183-E204 CarbonylContact C-O 3.4Å; E183-E204 WeakPolarHBondContact CA-O 3.32Å; E183-E204 HydrophobicContact CG-CB 4.26Å
184	N	67.1	Low	60.2	Low	59 Å²	59	50.4 Å²	50.4	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.6	70.4	174	-56.7	-31.1	0	0	0	113	N163 Q164 E204 N205	N163-N184 VanDerWaalsContact CA-O 3.28Å; N163-N184 WeakPolarHBondContact CA-O 3.35Å; N163-N184 VanDerWaalsContact OD1-CB 3.3Å; N163-N184 WeakPolarHBondContact OD1-CB 3.36Å; N163-N184 PolarHBondContact OD1-ND2 2.82Å; Q164-N184 PolarHBondContact N-O 3.42Å; N184-E204 PolarHBondContact N-O 3.44Å; N184-N205 VanDerWaalsContact CA-O 3.32Å; N184-N205 WeakPolarHBondContact CA-O 3.03Å; N184-N205 VanDerWaalsContact OD1-CB 3.23Å; N184-N205 WeakPolarHBondContact OD1-CB 3.37Å; N184-N205 PolarHBondContact OD1-ND2 3.31Å
185	Q	65.9	Low	59.9	Low	5 Å²	5	50.5 Å²	50.5	2%	0.023	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.3	171.8	-66.7	-175.6	-52.8	0	0	110.5	Q164 V182 L194 N205 Q206 T207	Q164-Q185 HydrophobicContact CB-CG 4.31Å; Q164-Q185 WeakPolarHBondContact O-CA 3.28Å; V182-Q185 HydrophobicContact CG1-CG 3.64Å; V182-Q185 VanDerWaalsContact CG1-NE2 3.34Å; Q185-L194 VanDerWaalsContact CD-CD1 3.49Å; Q185-N205 PolarHBondContact N-O 3.16Å; Q185-Q206 HydrophobicContact CB-CG 4.33Å; Q185-Q206 WeakPolarHBondContact O-CA 3.35Å; Q185-T207 PolarHBondContact O-N 3.39Å
186	T	64.8	Low	59.6	Low	50 Å²	50	51.6 Å²	51.6	31%	0.307	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.6	174.5	-49.4	0	0	0	0	108.7	Q164 T165 E166 T188 T207	Q164-T186 PolarHBondContact O-N 3.23Å; T165-T186 WeakPolarHBondContact CA-O 3.3Å; E166-T186 PolarHBondContact N-O 2.97Å; T186-T188 HydrophobicContact CG2-CG2 4.35Å; T186-T207 WeakPolarHBondContact CA-O 3.43Å
187	E	63.5	Low	59.2	Low	25 Å²	25	52.5 Å²	52.5	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	176.6	-65.9	174.6	-172.6	0	0	107.9	S192 T207 T209	E187-S192 VanDerWaalsContact OE1-CB 3.29Å; E187-S192 WeakPolarHBondContact OE1-CB 3.24Å; E187-S192 VanDerWaalsContact OE2-CB 3.3Å; E187-S192 WeakPolarHBondContact OE2-CB 3.23Å; E187-T207 PolarHBondContact N-O 2.91Å; E187-T209 PolarHBondContact O-N 3.05Å; E187-T209 PolarHBondContact O-OG1 2.81Å; E187-T209 VanDerWaalsContact O-OG1 3.08Å
188	T	56.5	Low	58.8	Low	55 Å²	55	53.5 Å²	53.5	34%	0.337	30%	0.304	S	S	.	.			trans	-99.9	-10.7	-178.4	56.2	0	0	0	0	115	E166 T167 T186	E166-T188 PolarHBondContact O-N 3.17Å; E166-T188 VanDerWaalsContact O-N 3.1Å; E166-T188 PolarHBondContact O-OG1 3.43Å; T167-T188 VanDerWaalsContact CA-OG1 3.22Å; T167-T188 WeakPolarHBondContact CA-OG1 3.29Å; T167-T188 PolarHBondContact O-OG1 2.68Å; T186-T188 HydrophobicContact CG2-CG2 4.35Å
189	E	55.9	Low	58.1	Low	106 Å²	106	56 Å²	56	50%	0.495	32%	0.321	S	S	.	.	S	Bend	trans	-149.5	-177.4	-177.9	-71.8	-149.5	165.5	0	0	115.5
190	Q	52.5	Low	57.6	Low	135 Å²	135	56.9 Å²	56.9	63%	0.631	33%	0.327	S	S	*	.	S	Bend	trans	-74.3	133.9	-169	-67	-166.1	-37.9	0	0	114.3	Q169	Q169-Q190 VanDerWaalsContact CA-O 3.3Å; Q169-Q190 WeakPolarHBondContact CA-O 3.32Å; Q169-Q190 WeakPolarHBondContact CG-O 3.42Å
191	G	52.5	Low	57.1	Low	49 Å²	49	59.7 Å²	59.7	51%	0.505	35%	0.346	S	S	.	.			trans	119.6	16.4	160.1	0	0	0	0	0	116.7
192	S	53.2	Low	56.8	Low	29 Å²	29	62.7 Å²	62.7	20%	0.203	36%	0.357	C	S	.	.			trans	-79.9	141.9	177	-58.5	0	0	0	0	112.4	E166 S171 E187	E166-S192 WeakPolarHBondContact OE2-CB 3.39Å; E166-S192 PolarHBondContact OE2-OG 3.11Å; S171-S192 VanDerWaalsContact O-CA 3.3Å; S171-S192 WeakPolarHBondContact O-CA 3.36Å; E187-S192 VanDerWaalsContact OE1-CB 3.29Å; E187-S192 WeakPolarHBondContact OE1-CB 3.24Å; E187-S192 VanDerWaalsContact OE2-CB 3.3Å; E187-S192 WeakPolarHBondContact OE2-CB 3.23Å
193	S	56.1	Low	56.6	Low	68 Å²	68	65.2 Å²	65.2	48%	0.476	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117	173.3	-69.6	0	0	0	0	110.1	S171 S172 L173	S171-S193 PolarHBondContact O-N 3.48Å; S172-S193 WeakPolarHBondContact CA-O 3.4Å; L173-S193 PolarHBondContact N-O 3.43Å
194	L	59.3	Low	56.2	Low	49 Å²	49	66.5 Å²	66.5	26%	0.257	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.7	174.6	-170.3	107.9	0	0	0	111.2	L173 V182 Q185 V203	L173-L194 HydrophobicContact CB-CD1 4.22Å; L173-L194 HydrophobicContact CD2-CD1 3.71Å; L173-L194 HydrophobicContact CD2-CG 4.21Å; L173-L194 HydrophobicContact CG-CD1 4.36Å; V182-L194 HydrophobicContact CG1-CD1 4.42Å; Q185-L194 VanDerWaalsContact CD-CD1 3.49Å; L194-V203 HydrophobicContact CD2-CG1 4.29Å; L194-V203 HydrophobicContact CD2-CG2 3.89Å
195	L	53.6	Low	55.7	Low	83 Å²	83	68.9 Å²	68.9	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	110.9	172.1	-74.6	169.6	0	0	0	110.5	L173 F174 T175	L173-L195 PolarHBondContact O-N 3.41Å; F174-L195 WeakPolarHBondContact CA-O 3.19Å; F174-L195 HydrophobicContact CD1-CB 3.71Å; F174-L195 HydrophobicContact CD1-CD1 3.69Å; F174-L195 HydrophobicContact CD1-CG 4.3Å; F174-L195 HydrophobicContact CE1-CB 4.24Å; F174-L195 HydrophobicContact CE1-CD1 3.35Å; F174-L195 HydrophobicContact CE1-CG 4.32Å; F174-L195 HydrophobicContact CG-CB 4.44Å; F174-L195 HydrophobicContact CZ-CD1 4.35Å; T175-L195 PolarHBondContact N-O 3.32Å
196	T	53.7	Low	55.4	Low	25 Å²	25	73.5 Å²	73.5	15%	0.153	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.7	174.6	-51.1	0	0	0	0	109	T175 S180 S201	T175-T196 WeakPolarHBondContact O-CA 3.49Å; T175-T196 WeakPolarHBondContact OG1-CG2 3.38Å; T175-T196 PolarHBondContact OG1-OG1 2.93Å; S180-T196 WeakPolarHBondContact OG-CG2 3.2Å; T196-S201 VanDerWaalsContact CG2-CB 3.5Å
197	H	50.2	Low	55	Low	124 Å²	124	74.8 Å²	74.8	57%	0.574	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.9	179.5	-97.2	-76.9	0	0	0	111.7	T175 G177	T175-H197 PolarHBondContact O-N 3.38Å; G177-H197 PolarHBondContact N-O 3.19Å; G177-H197 VanDerWaalsContact O-O 3.11Å
198	G	50.2	Low	54.6	Low	24 Å²	24	78.1 Å²	78.1	25%	0.247	44%	0.437	C	S	.	.	S	Bend	trans	170.1	148.6	177.6	0	0	0	0	0	113.6	G177 S200 S201	G177-G198 WeakPolarHBondContact O-CA 3.16Å; G198-S200 PolarHBondContact O-N 3.26Å; G198-S200 VanDerWaalsContact O-N 3.16Å; G198-S201 PolarHBondContact O-N 2.73Å; G198-S201 PolarHBondContact O-OG 3.03Å
199	P	40.7	Very low	54.1	Low	129 Å²	129	79.8 Å²	79.8	84%	0.838	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.8	171.2	18.1	-33.4	0	0	0	114.6	P178	P178-P199 HydrophobicContact CB-CG 4.14Å
200	S	53.9	Low	53.3	Low	74 Å²	74	76 Å²	76	52%	0.517	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	63.4	174.4	-177.4	0	0	0	0	110.8	P178 S180 G198	P178-S200 WeakPolarHBondContact O-CB 3.49Å; P178-S200 PolarHBondContact O-N 2.71Å; S180-S200 PolarHBondContact N-O 3.46Å; G198-S200 PolarHBondContact O-N 3.26Å; G198-S200 VanDerWaalsContact O-N 3.16Å
201	S	50.3	Low	52.4	Low	60 Å²	60	78.6 Å²	78.6	42%	0.42	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.2	172.1	53.1	0	0	0	0	112.3	S180 T196 G198	S180-S201 CarbonylContact O-C 3.59Å; S180-S201 WeakPolarHBondContact O-CA 3.4Å; S180-S201 WeakPolarHBondContact OG-CB 3.2Å; T196-S201 VanDerWaalsContact CG2-CB 3.5Å; G198-S201 PolarHBondContact O-N 2.73Å; G198-S201 PolarHBondContact O-OG 3.03Å
202	R	59.1	Low	51.6	Low	141 Å²	141	81.4 Å²	81.4	53%	0.532	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	132.3	175.1	-168.3	177.9	-172.2	-179.7	1.9	111.7	S180 R181 V182 E204	S180-R202 PolarHBondContact O-N 2.93Å; R181-R202 CarbonylContact C-O 3.6Å; R181-R202 VanDerWaalsContact CA-O 3.29Å; R181-R202 WeakPolarHBondContact CA-O 3.33Å; R181-R202 HydrophobicContact CG-CB 4.43Å; V182-R202 PolarHBondContact N-O 2.76Å; R202-E204 HydrophobicContact CG-CG 4.19Å; R202-E204 IonicContact CZ-OE1 3.48Å; R202-E204 IonicContact CZ-OE2 3.63Å; R202-E204 IonicContact NE-OE1 2.91Å; R202-E204 PolarHBondContact NE-OE1 2.88Å; R202-E204 IonicContact NE-OE2 2.92Å; R202-E204 IonicContact NH1-OE1 3.86Å; R202-E204 IonicContact NH2-OE1 2.91Å; R202-E204 PolarHBondContact NH2-OE1 2.95Å
203	V	59.8	Low	50.6	Low	54 Å²	54	85.6 Å²	85.6	33%	0.327	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.8	174.7	-175.7	0	0	0	0	108.2	V182 L194 Q206	V182-V203 HydrophobicContact CB-CG1 4.4Å; V182-V203 HydrophobicContact CB-CG2 4.39Å; V182-V203 CarbonylContact O-C 3.59Å; V182-V203 WeakPolarHBondContact O-CA 3.45Å; L194-V203 HydrophobicContact CD2-CG1 4.29Å; L194-V203 HydrophobicContact CD2-CG2 3.89Å; V203-Q206 HydrophobicContact CG1-CG 3.6Å; V203-Q206 VanDerWaalsContact CG1-NE2 3.35Å
204	E	60.9	Low	49.8	Very low	52 Å²	52	88.1 Å²	88.1	24%	0.243	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.3	-179.3	-71.4	-175.7	135.7	0	0	112.2	R181 V182 E183 N184 R202	R181-E204 IonicContact CZ-OE2 2.98Å; R181-E204 IonicContact NE-OE2 3.81Å; R181-E204 IonicContact NH2-OE2 2.92Å; R181-E204 PolarHBondContact NH2-OE2 2.99Å; V182-E204 PolarHBondContact O-N 3.26Å; E183-E204 CarbonylContact C-O 3.4Å; E183-E204 WeakPolarHBondContact CA-O 3.32Å; E183-E204 HydrophobicContact CG-CB 4.26Å; N184-E204 PolarHBondContact N-O 3.44Å; R202-E204 HydrophobicContact CG-CG 4.19Å; R202-E204 IonicContact CZ-OE1 3.48Å; R202-E204 IonicContact CZ-OE2 3.63Å; R202-E204 IonicContact NE-OE1 2.91Å; R202-E204 PolarHBondContact NE-OE1 2.88Å; R202-E204 IonicContact NE-OE2 2.92Å; R202-E204 IonicContact NH1-OE1 3.86Å; R202-E204 IonicContact NH2-OE1 2.91Å; R202-E204 PolarHBondContact NH2-OE1 2.95Å
205	N	56.3	Low	48.8	Very low	109 Å²	109	91.7 Å²	91.7	58%	0.583	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.9	58.1	177.7	-58.8	-25.4	0	0	0	113.7	N184 Q185	N184-N205 VanDerWaalsContact CA-O 3.32Å; N184-N205 WeakPolarHBondContact CA-O 3.03Å; N184-N205 VanDerWaalsContact OD1-CB 3.23Å; N184-N205 WeakPolarHBondContact OD1-CB 3.37Å; N184-N205 PolarHBondContact OD1-ND2 3.31Å; Q185-N205 PolarHBondContact N-O 3.16Å
206	Q	60.6	Low	48.3	Very low	102 Å²	102	96.7 Å²	96.7	48%	0.477	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.5	166.7	-69.3	-173.2	-45.4	0	0	110.1	Q185 V203	Q185-Q206 HydrophobicContact CB-CG 4.33Å; Q185-Q206 WeakPolarHBondContact O-CA 3.35Å; V203-Q206 HydrophobicContact CG1-CG 3.6Å; V203-Q206 VanDerWaalsContact CG1-NE2 3.35Å
207	T	55.9	Low	47.8	Very low	78 Å²	78	98.8 Å²	98.8	48%	0.479	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	101.5	172.3	-50.9	0	0	0	0	108.2	Q185 T186 E187 T209	Q185-T207 PolarHBondContact O-N 3.39Å; T186-T207 WeakPolarHBondContact CA-O 3.43Å; E187-T207 PolarHBondContact N-O 2.91Å; T207-T209 HydrophobicContact CG2-CG2 4.38Å
208	E	55.9	Low	47.2	Very low	95 Å²	95	96.1 Å²	96.1	44%	0.444	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.4	173.5	-166.3	-178.3	173.7	0	0	108.2
209	T	44.8	Very low	46.9	Very low	90 Å²	90	98.6 Å²	98.6	55%	0.552	55%	0.546	S	S	*	.			trans	-111.6	43.6	175.5	40.7	0	0	0	0	111.1	E187 T207	E187-T209 PolarHBondContact O-N 3.05Å; E187-T209 PolarHBondContact O-OG1 2.81Å; E187-T209 VanDerWaalsContact O-OG1 3.08Å; T207-T209 HydrophobicContact CG2-CG2 4.38Å
210	G	40.2	Very low	46.9	Very low	27 Å²	27	97.5 Å²	97.5	28%	0.278	54%	0.541	S	S	.	.	S	Bend	trans	-134.5	141	172.3	0	0	0	0	0	109.9	L212	G210-L212 PolarHBondContact O-N 3.36Å
211	K	33.7	Very low	46	Very low	189 Å²	189	101.2 Å²	101.2	82%	0.822	56%	0.555	S	S	*	*			trans	-70.5	88.8	-175.4	-173.2	-179.4	179.9	-175.1	0	110.9	C213	K211-C213 PolarHBondContact O-N 3.42Å
212	L	34.8	Very low	45.4	Very low	107 Å²	107	104.2 Å²	104.2	56%	0.56	57%	0.567	S	S	*	*			trans	-69.9	118.7	164.4	-156.5	71.2	0	0	0	108.3	G210 I214	G210-L212 PolarHBondContact O-N 3.36Å; L212-I214 HydrophobicContact CB-CG1 4.21Å; L212-I214 HydrophobicContact CD2-CD1 3.82Å; L212-I214 HydrophobicContact CD2-CG1 3.5Å; L212-I214 HydrophobicContact CG-CG1 3.91Å; L212-I214 PolarHBondContact O-N 2.82Å
213	C	33.4	Very low	44.4	Very low	117 Å²	117	103.6 Å²	103.6	79%	0.791	58%	0.584	S	S	*	*			trans	-70.5	71.4	165.2	-67.1	0	0	0	0	108.6	K211 D215	K211-C213 PolarHBondContact O-N 3.42Å; C213-D215 VanDerWaalsContact C-N 3.27Å; C213-D215 PolarHBondContact O-N 3.09Å; C213-D215 VanDerWaalsContact O-N 3.14Å
214	I	38.4	Very low	43.6	Very low	122 Å²	122	106.7 Å²	106.7	63%	0.626	60%	0.599	S	S	*	*			trans	-76.3	92.2	157.3	-49.7	-178.4	0	0	0	105.1	L212 E216	L212-I214 HydrophobicContact CB-CG1 4.21Å; L212-I214 HydrophobicContact CD2-CD1 3.82Å; L212-I214 HydrophobicContact CD2-CG1 3.5Å; L212-I214 HydrophobicContact CG-CG1 3.91Å; L212-I214 PolarHBondContact O-N 2.82Å; I214-E216 HydrophobicContact CG2-CG 4.47Å; I214-E216 PolarHBondContact O-N 2.78Å; I214-E216 VanDerWaalsContact O-N 3.13Å
215	D	39.5	Very low	43	Very low	123 Å²	123	110.4 Å²	110.4	66%	0.658	63%	0.63	S	S	*	*			trans	-71.4	103.8	163.2	-156.8	-1.3	0	0	0	106.4	C213 S217	C213-D215 VanDerWaalsContact C-N 3.27Å; C213-D215 PolarHBondContact O-N 3.09Å; C213-D215 VanDerWaalsContact O-N 3.14Å; D215-S217 PolarHBondContact O-N 2.85Å; D215-S217 WeakPolarHBondContact OD1-CB 3.23Å; D215-S217 PolarHBondContact OD1-OG 2.78Å
216	E	42.5	Very low	42.5	Very low	189 Å²	189	109.8 Å²	109.8	88%	0.883	63%	0.634	S	S	*	*	S	Bend	trans	-62.3	24.5	167.5	-77.4	-175.2	139	0	0	112.4	I214	I214-E216 HydrophobicContact CG2-CG 4.47Å; I214-E216 PolarHBondContact O-N 2.78Å; I214-E216 VanDerWaalsContact O-N 3.13Å
217	S	43.2	Very low	41.9	Very low	69 Å²	69	111.1 Å²	111.1	48%	0.483	64%	0.643	S	S	.	*			trans	-121.3	31.4	-169.8	-45.8	0	0	0	0	114	D215 P219	D215-S217 PolarHBondContact O-N 2.85Å; D215-S217 WeakPolarHBondContact OD1-CB 3.23Å; D215-S217 PolarHBondContact OD1-OG 2.78Å; S217-P219 WeakPolarHBondContact O-CD 2.98Å
218	C	38	Very low	41.6	Very low	68 Å²	68	110.7 Å²	110.7	46%	0.459	64%	0.638	S	S	.	*			trans	-87.4	94	152.8	-97.5	0	0	0	0	106.8	S220 N228 C231	C218-S220 PolarHBondContact O-N 2.9Å; C218-S220 VanDerWaalsContact O-N 3.16Å; C218-N228 PolarHBondContact SG-ND2 3Å; C218-N228 VanDerWaalsContact SG-ND2 3.39Å; C218-C231 WeakPolarHBondContact CB-SG 2.79Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.12Å; C218-C231 PolarHBondContact SG-SG 3.05Å
219	P	42.8	Very low	41.5	Very low	75 Å²	75	110.6 Å²	110.6	49%	0.487	64%	0.64	S	S	.	*			trans	-73.5	114.7	-178.5	4.5	15.5	0	0	0	106.5	S217 N221	S217-P219 WeakPolarHBondContact O-CD 2.98Å; P219-N221 PolarHBondContact O-N 2.8Å
220	S	41.1	Very low	41.9	Very low	106 Å²	106	110.4 Å²	110.4	74%	0.741	63%	0.634	S	S	*	*	S	Bend	trans	-56.6	114.8	155.6	58.7	0	0	0	0	106.4	C218	C218-S220 PolarHBondContact O-N 2.9Å; C218-S220 VanDerWaalsContact O-N 3.16Å
221	N	36	Very low	42.5	Very low	152 Å²	152	112.9 Å²	112.9	81%	0.813	65%	0.647	S	S	*	*			trans	88	80.1	-174.8	-43.2	-37.8	0	0	0	114.9	P219	P219-N221 PolarHBondContact O-N 2.8Å
222	N	36.5	Very low	43.7	Very low	124 Å²	124	109 Å²	109	66%	0.663	64%	0.635	S	S	*	*			trans	-127.2	109.8	148.3	-119.5	-11.6	0	0	0	109.5	D224	N222-D224 PolarHBondContact O-N 2.83Å
223	S	39.1	Very low	45.1	Very low	128 Å²	128	107.6 Å²	107.6	90%	0.895	63%	0.628	S	S	*	*			trans	-76.9	38.9	176.2	55.1	0	0	0	0	112.2
224	D	42.9	Very low	46.8	Very low	119 Å²	119	109 Å²	109	64%	0.636	62%	0.621	S	S	*	*	S	Bend	trans	-117.2	129.3	177	-116.2	-21.9	0	0	0	108.5	N222 S226	N222-D224 PolarHBondContact O-N 2.83Å; D224-S226 PolarHBondContact O-N 2.99Å
225	S	46.9	Very low	48.1	Very low	129 Å²	129	110 Å²	110	90%	0.902	62%	0.623	S	S	*	*			trans	-69.2	30.5	-171.1	54.1	0	0	0	0	114.8
226	S	47.2	Very low	49.3	Very low	96 Å²	96	109.9 Å²	109.9	67%	0.671	62%	0.617	S	S	*	*			trans	-97.4	99.7	174.5	53.2	0	0	0	0	109.5	D224 N228	D224-S226 PolarHBondContact O-N 2.99Å; S226-N228 PolarHBondContact O-N 3.25Å; S226-N228 VanDerWaalsContact O-N 3.15Å
227	I	47	Very low	50.4	Low	130 Å²	130	104.7 Å²	104.7	67%	0.667	59%	0.589	S	S	*	*			trans	-46.1	117.6	172.4	-66.2	168.6	0	0	0	109	I229 D232	I227-I229 HydrophobicContact CG2-CG1 3.97Å; I227-I229 PolarHBondContact O-N 2.87Å; I227-I229 VanDerWaalsContact O-N 3.14Å; I227-D232 HydrophobicContact CG2-CB 4.39Å; I227-D232 WeakPolarHBondContact CG2-OD2 3.12Å
228	N	50.7	Low	51.5	Low	70 Å²	70	103.3 Å²	103.3	37%	0.374	58%	0.58	S	S	.	*			trans	-85.9	87.1	174.8	-168	-11.5	0	0	0	107	C218 S226 I230 C231 D232	C218-N228 PolarHBondContact SG-ND2 3Å; C218-N228 VanDerWaalsContact SG-ND2 3.39Å; S226-N228 PolarHBondContact O-N 3.25Å; S226-N228 VanDerWaalsContact O-N 3.15Å; N228-I230 PolarHBondContact O-N 3.21Å; N228-C231 HydrophobicContact CB-CB 4.44Å; N228-C231 PolarHBondContact O-N 3.22Å; N228-D232 PolarHBondContact N-OD2 3.24Å; N228-D232 VanDerWaalsContact N-OD2 3.11Å; N228-D232 PolarHBondContact O-N 3.09Å
229	I	52.8	Low	52.9	Low	92 Å²	92	103.2 Å²	103.2	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-53.2	-26.6	-167.4	-58.1	173.9	0	0	0	112.7	I227 N233 Y237	I227-I229 HydrophobicContact CG2-CG1 3.97Å; I227-I229 PolarHBondContact O-N 2.87Å; I227-I229 VanDerWaalsContact O-N 3.14Å; I229-N233 PolarHBondContact O-N 3.03Å; I229-Y237 HydrophobicContact CB-CD2 4.45Å; I229-Y237 HydrophobicContact CG2-CD2 3.83Å; I229-Y237 HydrophobicContact CG2-CG 4.47Å
230	I	52.7	Low	54	Low	86 Å²	86	103 Å²	103	44%	0.441	57%	0.574	S	S	.	*	H	α-helix	trans	-79.1	-39.6	179.1	-59	173	0	0	0	111.9	N228 Y237	N228-I230 PolarHBondContact O-N 3.21Å; I230-Y237 HydrophobicContact CD1-CE1 4.25Å; I230-Y237 HydrophobicContact CD1-CE2 4.2Å; I230-Y237 HydrophobicContact CG1-CD1 4.06Å; I230-Y237 HydrophobicContact CG1-CD2 3.87Å; I230-Y237 HydrophobicContact CG1-CE1 4.02Å; I230-Y237 HydrophobicContact CG1-CE2 3.81Å; I230-Y237 HydrophobicContact CG1-CG 3.99Å
231	C	53	Low	55.1	Low	79 Å²	79	104.4 Å²	104.4	53%	0.534	57%	0.567	S	S	.	*	H	α-helix	trans	-86	-21	-179.5	-83.3	0	0	0	0	111.8	C218 N228	C218-C231 WeakPolarHBondContact CB-SG 2.79Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.12Å; C218-C231 PolarHBondContact SG-SG 3.05Å; N228-C231 HydrophobicContact CB-CB 4.44Å; N228-C231 PolarHBondContact O-N 3.22Å
232	D	60.1	Low	56.3	Low	109 Å²	109	101.5 Å²	101.5	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-93	-29.6	-177.3	-69.5	-33.4	0	0	0	114.9	I227 N228	I227-D232 HydrophobicContact CG2-CB 4.39Å; I227-D232 WeakPolarHBondContact CG2-OD2 3.12Å; N228-D232 PolarHBondContact N-OD2 3.24Å; N228-D232 VanDerWaalsContact N-OD2 3.11Å; N228-D232 PolarHBondContact O-N 3.09Å
233	N	63.6	Low	57.4	Low	77 Å²	77	99.7 Å²	99.7	41%	0.412	55%	0.548	S	S	.	.			trans	-160.6	83.3	176	-163.5	-30.3	0	0	0	111.8	I229 E235 K236 Y237	I229-N233 PolarHBondContact O-N 3.03Å; N233-E235 VanDerWaalsContact C-N 3.28Å; N233-E235 PolarHBondContact O-N 3.33Å; N233-E235 PolarHBondContact OD1-N 2.78Å; N233-K236 HydrophobicContact CB-CB 3.88Å; N233-K236 VanDerWaalsContact CG-CB 3.48Å; N233-K236 PolarHBondContact O-N 3.36Å; N233-K236 VanDerWaalsContact O-N 3.14Å; N233-K236 WeakPolarHBondContact OD1-CB 3.46Å; N233-K236 PolarHBondContact OD1-N 2.86Å; N233-Y237 PolarHBondContact O-N 3.47Å
234	F	68.6	Low	58.2	Low	146 Å²	146	101.4 Å²	101.4	64%	0.64	54%	0.542	S	S	*	.	H	α-helix	trans	-55.3	-39.8	179.9	178.6	-98.6	0	0	0	113.2	Y237 S238	F234-Y237 PolarHBondContact O-N 2.84Å; F234-S238 VanDerWaalsContact O-CB 3.27Å; F234-S238 WeakPolarHBondContact O-CB 3.36Å; F234-S238 PolarHBondContact O-N 3.39Å; F234-S238 PolarHBondContact O-OG 2.88Å
235	E	65.1	Low	58.6	Low	143 Å²	143	100.2 Å²	100.2	67%	0.668	54%	0.536	S	S	*	.	H	α-helix	trans	-62	-47.3	177.3	-173.7	-177.6	176.5	0	0	110.6	N233 S238 C239	N233-E235 VanDerWaalsContact C-N 3.28Å; N233-E235 PolarHBondContact O-N 3.33Å; N233-E235 PolarHBondContact OD1-N 2.78Å; E235-S238 PolarHBondContact O-N 2.73Å; E235-C239 WeakPolarHBondContact O-CB 3.35Å; E235-C239 PolarHBondContact O-N 3.35Å; E235-C239 PolarHBondContact O-SG 3.34Å
236	K	66.2	Low	58.8	Low	120 Å²	120	99.2 Å²	99.2	52%	0.522	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-44.8	177.5	-174.5	175.4	-179.2	-179.5	0	112.2	N233 D240	N233-K236 HydrophobicContact CB-CB 3.88Å; N233-K236 VanDerWaalsContact CG-CB 3.48Å; N233-K236 PolarHBondContact O-N 3.36Å; N233-K236 VanDerWaalsContact O-N 3.14Å; N233-K236 WeakPolarHBondContact OD1-CB 3.46Å; N233-K236 PolarHBondContact OD1-N 2.86Å; K236-D240 WeakPolarHBondContact O-CB 3.2Å; K236-D240 PolarHBondContact O-N 3.04Å
237	Y	65.1	Low	58.9	Low	80 Å²	80	100.1 Å²	100.1	31%	0.314	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-46.1	178.4	-178.8	-99.5	0	0	0	112	I229 I230 N233 F234 K241	I229-Y237 HydrophobicContact CB-CD2 4.45Å; I229-Y237 HydrophobicContact CG2-CD2 3.83Å; I229-Y237 HydrophobicContact CG2-CG 4.47Å; I230-Y237 HydrophobicContact CD1-CE1 4.25Å; I230-Y237 HydrophobicContact CD1-CE2 4.2Å; I230-Y237 HydrophobicContact CG1-CD1 4.06Å; I230-Y237 HydrophobicContact CG1-CD2 3.87Å; I230-Y237 HydrophobicContact CG1-CE1 4.02Å; I230-Y237 HydrophobicContact CG1-CE2 3.81Å; I230-Y237 HydrophobicContact CG1-CG 3.99Å; N233-Y237 PolarHBondContact O-N 3.47Å; F234-Y237 PolarHBondContact O-N 2.84Å; Y237-K241 PolarHBondContact O-N 2.97Å; Y237-K241 VanDerWaalsContact O-N 3.08Å
238	S	65.6	Low	58.8	Low	41 Å²	41	101.3 Å²	101.3	29%	0.287	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-45.2	-179.5	-59	0	0	0	0	111.2	F234 E235 L242	F234-S238 VanDerWaalsContact O-CB 3.27Å; F234-S238 WeakPolarHBondContact O-CB 3.36Å; F234-S238 PolarHBondContact O-N 3.39Å; F234-S238 PolarHBondContact O-OG 2.88Å; E235-S238 PolarHBondContact O-N 2.73Å; S238-L242 WeakPolarHBondContact O-CB 3.12Å; S238-L242 PolarHBondContact O-N 3.3Å
239	C	67.1	Low	58.6	Low	66 Å²	66	106 Å²	106	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-71.8	-34.1	177.9	-70.1	0	0	0	0	113.3	E235 L242 S243	E235-C239 WeakPolarHBondContact O-CB 3.35Å; E235-C239 PolarHBondContact O-N 3.35Å; E235-C239 PolarHBondContact O-SG 3.34Å; C239-L242 PolarHBondContact O-N 3.23Å; C239-S243 VanDerWaalsContact O-CB 3.3Å; C239-S243 WeakPolarHBondContact O-CB 3.49Å; C239-S243 PolarHBondContact O-N 2.89Å; C239-S243 PolarHBondContact O-OG 3.36Å
240	D	67.4	Low	58.3	Low	69 Å²	69	111.3 Å²	111.3	37%	0.369	56%	0.562	S	S	.	*	H	α-helix	trans	-66.2	-41.1	175	-79.5	-13.4	0	0	0	110.6	K236 S243 Q244	K236-D240 WeakPolarHBondContact O-CB 3.2Å; K236-D240 PolarHBondContact O-N 3.04Å; D240-S243 WeakPolarHBondContact CA-OG 3.14Å; D240-S243 PolarHBondContact O-N 3.25Å; D240-S243 PolarHBondContact O-OG 2.94Å; D240-Q244 VanDerWaalsContact O-CG 3.3Å; D240-Q244 WeakPolarHBondContact O-CG 3.27Å; D240-Q244 PolarHBondContact O-N 3.11Å; D240-Q244 VanDerWaalsContact O-N 3.09Å
241	K	63.1	Low	58.2	Low	136 Å²	136	110.9 Å²	110.9	59%	0.591	57%	0.567	S	S	*	*	H	α-helix	trans	-65.2	-38.8	171.3	-97.1	-138.1	-179.6	-178.7	0	112.7	Y237 N245	Y237-K241 PolarHBondContact O-N 2.97Å; Y237-K241 VanDerWaalsContact O-N 3.08Å; K241-N245 PolarHBondContact O-N 3.31Å
242	L	61.6	Low	58.3	Low	91 Å²	91	115.7 Å²	115.7	48%	0.476	58%	0.579	S	S	.	*	H	α-helix	trans	-65.4	-41.6	176.6	-133.5	85.1	0	0	0	111.7	S238 C239 N245 Y248	S238-L242 WeakPolarHBondContact O-CB 3.12Å; S238-L242 PolarHBondContact O-N 3.3Å; C239-L242 PolarHBondContact O-N 3.23Å; L242-N245 PolarHBondContact O-N 2.93Å; L242-Y248 HydrophobicContact CD2-CD2 3.79Å; L242-Y248 HydrophobicContact CD2-CE2 3.39Å; L242-Y248 HydrophobicContact CG-CD2 4.18Å; L242-Y248 HydrophobicContact CG-CE2 4.27Å
243	S	58.6	Low	58.7	Low	87 Å²	87	113.8 Å²	113.8	61%	0.608	57%	0.568	S	S	*	*	H	α-helix	trans	-73.4	-27.5	-178.1	69	0	0	0	0	113.7	C239 D240 N245	C239-S243 VanDerWaalsContact O-CB 3.3Å; C239-S243 WeakPolarHBondContact O-CB 3.49Å; C239-S243 PolarHBondContact O-N 2.89Å; C239-S243 PolarHBondContact O-OG 3.36Å; D240-S243 WeakPolarHBondContact CA-OG 3.14Å; D240-S243 PolarHBondContact O-N 3.25Å; D240-S243 PolarHBondContact O-OG 2.94Å; S243-N245 VanDerWaalsContact C-N 3.31Å
244	Q	56.6	Low	59.4	Low	163 Å²	163	112.9 Å²	112.9	76%	0.762	57%	0.571	S	S	*	*	H	α-helix	trans	-76.7	-18.3	172.4	-72.7	178.8	16.2	0	0	113.1	D240 S246	D240-Q244 VanDerWaalsContact O-CG 3.3Å; D240-Q244 WeakPolarHBondContact O-CG 3.27Å; D240-Q244 PolarHBondContact O-N 3.11Å; D240-Q244 VanDerWaalsContact O-N 3.09Å; Q244-S246 PolarHBondContact O-N 3.01Å
245	N	51.4	Low	59.9	Low	95 Å²	95	110.5 Å²	110.5	51%	0.508	57%	0.566	S	S	.	*			trans	-82.1	106.8	178.4	-140.1	-3.2	0	0	0	109.1	K241 L242 S243 L247 Y248	K241-N245 PolarHBondContact O-N 3.31Å; L242-N245 PolarHBondContact O-N 2.93Å; S243-N245 VanDerWaalsContact C-N 3.31Å; N245-L247 PolarHBondContact O-N 3.48Å; N245-Y248 PolarHBondContact O-N 3.41Å; N245-Y248 VanDerWaalsContact O-N 3.11Å
246	S	51.2	Low	60.5	Low	108 Å²	108	108.4 Å²	108.4	76%	0.755	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-59.6	-6.7	-178.9	59.2	0	0	0	0	114.5	Q244 Y248	Q244-S246 PolarHBondContact O-N 3.01Å; S246-Y248 VanDerWaalsContact C-N 3.34Å
247	L	49.8	Very low	61.3	Low	114 Å²	114	106.6 Å²	106.6	60%	0.597	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-74.1	-15.7	174.1	-71	170.7	0	0	0	114.2	N245 N249 R250	N245-L247 PolarHBondContact O-N 3.48Å; L247-N249 PolarHBondContact O-N 3.19Å; L247-R250 WeakPolarHBondContact O-CB 3.49Å; L247-R250 PolarHBondContact O-N 3.38Å
248	Y	44.6	Very low	62.2	Low	155 Å²	155	107 Å²	107	61%	0.608	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-65.9	-20.9	176.6	-151.6	-95.4	0	0	0	112.9	L242 N245 S246 R250 S251	L242-Y248 HydrophobicContact CD2-CD2 3.79Å; L242-Y248 HydrophobicContact CD2-CE2 3.39Å; L242-Y248 HydrophobicContact CG-CD2 4.18Å; L242-Y248 HydrophobicContact CG-CE2 4.27Å; N245-Y248 PolarHBondContact O-N 3.41Å; N245-Y248 VanDerWaalsContact O-N 3.11Å; S246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-R250 PolarHBondContact O-N 2.86Å; Y248-S251 PolarHBondContact O-N 3.46Å
249	N	46.1	Very low	63.1	Low	170 Å²	170	107.7 Å²	107.7	91%	0.909	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-71	-5.3	171.1	-109.9	-8.7	0	0	0	113.8	L247	L247-N249 PolarHBondContact O-N 3.19Å
250	R	46.8	Very low	63.9	Low	202 Å²	202	111.9 Å²	111.9	76%	0.762	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-109.6	16.7	175.5	-144	-178.1	-162.6	-174.7	3.2	112.6	L247 Y248 F252	L247-R250 WeakPolarHBondContact O-CB 3.49Å; L247-R250 PolarHBondContact O-N 3.38Å; Y248-R250 PolarHBondContact O-N 2.86Å; R250-F252 PolarHBondContact O-N 3.27Å
251	S	50.1	Low	64.6	Low	78 Å²	78	113 Å²	113	55%	0.545	58%	0.575	S	S	.	*			trans	-45.4	116.4	171.9	-174.3	0	0	0	0	108.6	Y248 N253	Y248-S251 PolarHBondContact O-N 3.46Å; S251-N253 VanDerWaalsContact C-N 3.25Å; S251-N253 PolarHBondContact O-N 3.35Å
252	F	56.1	Low	65.7	Low	180 Å²	180	108 Å²	108	79%	0.789	55%	0.554	S	S	*	*			trans	-59.9	95.1	171.4	-80.3	-93.9	0	0	0	106.6	R250 A254 I257	R250-F252 PolarHBondContact O-N 3.27Å; F252-A254 PolarHBondContact O-N 3.33Å; F252-I257 HydrophobicContact CD1-CD1 4.38Å
253	N	68.8	Low	66.7	Low	68 Å²	68	109.9 Å²	109.9	36%	0.364	56%	0.561	S	S	.	*			trans	-70.7	120.4	174.7	-172.8	-6.9	0	0	0	106.2	S251 D255 D256 I257	S251-N253 VanDerWaalsContact C-N 3.25Å; S251-N253 PolarHBondContact O-N 3.35Å; N253-D255 PolarHBondContact ND2-OD2 3.18Å; N253-D255 PolarHBondContact O-N 3.13Å; N253-D255 VanDerWaalsContact O-N 3.1Å; N253-D255 WeakPolarHBondContact OD1-CB 3.44Å; N253-D255 VanDerWaalsContact OD1-CG 3.29Å; N253-D255 PolarHBondContact OD1-N 2.86Å; N253-D255 PolarHBondContact OD1-OD2 3.28Å; N253-D256 HydrophobicContact CB-CB 4.44Å; N253-D256 WeakPolarHBondContact O-CB 3.33Å; N253-D256 PolarHBondContact O-N 3.27Å; N253-I257 PolarHBondContact O-N 2.72Å
254	A	77.2	Confident	67.9	Low	58 Å²	58	106.8 Å²	106.8	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-50.8	-34.3	174.3	0	0	0	0	0	110.7	F252 D256 I257 I258	F252-A254 PolarHBondContact O-N 3.33Å; A254-D256 VanDerWaalsContact C-N 3.33Å; A254-D256 PolarHBondContact O-N 3.3Å; A254-I257 PolarHBondContact O-N 3.16Å; A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.47Å; A254-I258 PolarHBondContact O-N 2.97Å
255	D	79.3	Confident	69.2	Low	97 Å²	97	104 Å²	104	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-57	-43.6	173.9	-59.3	-24.4	0	0	0	112.1	N253 I257 I258 M259	N253-D255 PolarHBondContact ND2-OD2 3.18Å; N253-D255 PolarHBondContact O-N 3.13Å; N253-D255 VanDerWaalsContact O-N 3.1Å; N253-D255 WeakPolarHBondContact OD1-CB 3.44Å; N253-D255 VanDerWaalsContact OD1-CG 3.29Å; N253-D255 PolarHBondContact OD1-N 2.86Å; N253-D255 PolarHBondContact OD1-OD2 3.28Å; D255-I257 VanDerWaalsContact C-N 3.3Å; D255-I257 PolarHBondContact O-N 3.06Å; D255-I258 PolarHBondContact O-N 2.87Å; D255-M259 VanDerWaalsContact O-CB 3.23Å; D255-M259 WeakPolarHBondContact O-CB 3.12Å; D255-M259 WeakPolarHBondContact O-CG 3.07Å; D255-M259 PolarHBondContact O-N 3.44Å
256	D	78.9	Confident	70.7	Confident	99 Å²	99	106.9 Å²	106.9	53%	0.529	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-34.9	-178.9	-72.5	-25.1	0	0	0	111.7	N253 A254 K260	N253-D256 HydrophobicContact CB-CB 4.44Å; N253-D256 WeakPolarHBondContact O-CB 3.33Å; N253-D256 PolarHBondContact O-N 3.27Å; A254-D256 VanDerWaalsContact C-N 3.33Å; A254-D256 PolarHBondContact O-N 3.3Å; D256-K260 WeakPolarHBondContact O-CG 3.35Å; D256-K260 PolarHBondContact O-N 3.06Å
257	I	81.5	Confident	72	Confident	82 Å²	82	105.9 Å²	105.9	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-68.7	-50.4	175.9	-60.1	174.7	0	0	0	109.6	F252 N253 A254 D255 M259 K260 M261	F252-I257 HydrophobicContact CD1-CD1 4.38Å; N253-I257 PolarHBondContact O-N 2.72Å; A254-I257 PolarHBondContact O-N 3.16Å; D255-I257 VanDerWaalsContact C-N 3.3Å; D255-I257 PolarHBondContact O-N 3.06Å; I257-M259 VanDerWaalsContact C-N 3.27Å; I257-M259 PolarHBondContact O-N 3.34Å; I257-K260 WeakPolarHBondContact O-CB 3.46Å; I257-K260 PolarHBondContact O-N 3.33Å; I257-K260 VanDerWaalsContact O-N 3.1Å; I257-M261 HydrophobicContact CG2-SD 4.35Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 2.59Å
258	I	85.4	Confident	73	Confident	87 Å²	87	106.2 Å²	106.2	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-57.5	-43.9	177.5	-67.5	164.6	0	0	0	110.2	A254 D255 K260 M261 L262	A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.47Å; A254-I258 PolarHBondContact O-N 2.97Å; D255-I258 PolarHBondContact O-N 2.87Å; I258-K260 VanDerWaalsContact C-N 3.33Å; I258-K260 PolarHBondContact O-N 2.73Å; I258-M261 PolarHBondContact O-N 2.83Å; I258-M261 VanDerWaalsContact O-N 3.15Å; I258-L262 HydrophobicContact CG2-CD1 3.77Å; I258-L262 HydrophobicContact CG2-CG 4.23Å; I258-L262 WeakPolarHBondContact O-CB 3.26Å; I258-L262 VanDerWaalsContact O-CG 3.31Å; I258-L262 WeakPolarHBondContact O-CG 3.4Å; I258-L262 PolarHBondContact O-N 2.63Å
259	M	82.9	Confident	74.7	Confident	57 Å²	57	106.4 Å²	106.4	28%	0.281	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-38.2	178.5	-72.7	-66.6	-66.3	0	0	112.3	D255 I257 Q263 Y280	D255-M259 VanDerWaalsContact O-CB 3.23Å; D255-M259 WeakPolarHBondContact O-CB 3.12Å; D255-M259 WeakPolarHBondContact O-CG 3.07Å; D255-M259 PolarHBondContact O-N 3.44Å; I257-M259 VanDerWaalsContact C-N 3.27Å; I257-M259 PolarHBondContact O-N 3.34Å; M259-Q263 WeakPolarHBondContact O-CB 3.31Å; M259-Q263 WeakPolarHBondContact O-CG 3.47Å; M259-Q263 PolarHBondContact O-N 3.2Å; M259-Q263 VanDerWaalsContact O-N 3.11Å; M259-Y280 HydrophobicContact CE-CE1 4.39Å; M259-Y280 HydrophobicContact CE-CE2 4.04Å; M259-Y280 WeakPolarHBondContact CE-OH 3.5Å; M259-Y280 HydrophobicContact SD-CE2 3.65Å
260	K	84.1	Confident	76.7	Confident	153 Å²	153	101 Å²	101	67%	0.665	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-42.5	171.8	-76	173.5	-178.7	176.7	0	111.8	D256 I257 I258 Q263 S264	D256-K260 WeakPolarHBondContact O-CG 3.35Å; D256-K260 PolarHBondContact O-N 3.06Å; I257-K260 WeakPolarHBondContact O-CB 3.46Å; I257-K260 PolarHBondContact O-N 3.33Å; I257-K260 VanDerWaalsContact O-N 3.1Å; I258-K260 VanDerWaalsContact C-N 3.33Å; I258-K260 PolarHBondContact O-N 2.73Å; K260-Q263 CarbonylContact O-C 3.55Å; K260-Q263 PolarHBondContact O-N 2.82Å; K260-S264 WeakPolarHBondContact O-CB 3.41Å; K260-S264 PolarHBondContact O-N 3.23Å
261	M	83	Confident	78.7	Confident	92 Å²	92	95.2 Å²	95.2	45%	0.453	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-41.6	176.7	-64.7	178.8	93.8	0	0	111.8	I257 I258 Q263 S264 Q277	I257-M261 HydrophobicContact CG2-SD 4.35Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 2.59Å; I258-M261 PolarHBondContact O-N 2.83Å; I258-M261 VanDerWaalsContact O-N 3.15Å; M261-Q263 PolarHBondContact O-N 3.12Å; M261-S264 PolarHBondContact O-N 3.1Å; M261-Q277 PolarHBondContact O-NE2 2.94Å
262	L	85.5	Confident	80.4	Confident	31 Å²	31	94.3 Å²	94.3	16%	0.162	49%	0.489	C	S	.	.	H	α-helix	trans	-69.2	-20	177.4	-68.9	172.5	0	0	0	113.5	I258 A276 Q277 Y280	I258-L262 HydrophobicContact CG2-CD1 3.77Å; I258-L262 HydrophobicContact CG2-CG 4.23Å; I258-L262 WeakPolarHBondContact O-CB 3.26Å; I258-L262 VanDerWaalsContact O-CG 3.31Å; I258-L262 WeakPolarHBondContact O-CG 3.4Å; I258-L262 PolarHBondContact O-N 2.63Å; L262-A276 HydrophobicContact CD2-CB 3.95Å; L262-Q277 HydrophobicContact CD2-CG 4.3Å; L262-Q277 WeakPolarHBondContact O-CG 3.4Å; L262-Y280 HydrophobicContact CB-CD1 4.39Å; L262-Y280 HydrophobicContact CB-CG 4.45Å; L262-Y280 HydrophobicContact CD1-CD2 3.83Å; L262-Y280 HydrophobicContact CD1-CG 3.84Å
263	Q	83.9	Confident	81.7	Confident	131 Å²	131	87.4 Å²	87.4	61%	0.612	46%	0.462	S	S	*	.	H	α-helix	trans	-100.3	-13.7	177.5	-69.3	174.7	5.7	0	0	113.5	M259 K260 M261	M259-Q263 WeakPolarHBondContact O-CB 3.31Å; M259-Q263 WeakPolarHBondContact O-CG 3.47Å; M259-Q263 PolarHBondContact O-N 3.2Å; M259-Q263 VanDerWaalsContact O-N 3.11Å; K260-Q263 CarbonylContact O-C 3.55Å; K260-Q263 PolarHBondContact O-N 2.82Å; M261-Q263 PolarHBondContact O-N 3.12Å
264	S	83.7	Confident	82.6	Confident	23 Å²	23	90 Å²	90	16%	0.161	47%	0.47	C	S	.	.			trans	-70.7	141.6	-178.7	-178.4	0	0	0	0	111.9	K260 M261 E266 Q277	K260-S264 WeakPolarHBondContact O-CB 3.41Å; K260-S264 PolarHBondContact O-N 3.23Å; M261-S264 PolarHBondContact O-N 3.1Å; S264-E266 WeakPolarHBondContact OG-CB 3.22Å; S264-E266 WeakPolarHBondContact OG-CG 3.28Å; S264-E266 PolarHBondContact OG-N 3.31Å; S264-E266 VanDerWaalsContact OG-N 3.08Å; S264-E266 PolarHBondContact OG-OE2 3.03Å; S264-Q277 PolarHBondContact O-NE2 3.11Å
265	T	82.4	Confident	83.1	Confident	105 Å²	105	88.8 Å²	88.8	64%	0.644	46%	0.46	S	S	*	.	S	Bend	trans	-91.6	-3.2	171.3	55.3	0	0	0	0	112.5	Y267	T265-Y267 VanDerWaalsContact C-N 3.27Å; T265-Y267 PolarHBondContact O-N 3.29Å
266	E	82.6	Confident	83.5	Confident	154 Å²	154	86 Å²	86	72%	0.72	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22	-175.5	-65.5	168.3	168.2	0	0	112.9	S264	S264-E266 WeakPolarHBondContact OG-CB 3.22Å; S264-E266 WeakPolarHBondContact OG-CG 3.28Å; S264-E266 PolarHBondContact OG-N 3.31Å; S264-E266 VanDerWaalsContact OG-N 3.08Å; S264-E266 PolarHBondContact OG-OE2 3.03Å
267	Y	78.9	Confident	83.9	Confident	88 Å²	88	82 Å²	82	35%	0.345	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	22.3	-175.4	-53.2	-77.2	0	0	0	113.3	T265 D269 V270 V273	T265-Y267 VanDerWaalsContact C-N 3.27Å; T265-Y267 PolarHBondContact O-N 3.29Å; Y267-D269 PolarHBondContact O-N 2.76Å; Y267-D269 VanDerWaalsContact O-N 3.15Å; Y267-V270 PolarHBondContact O-N 2.97Å; Y267-V270 VanDerWaalsContact O-N 3.09Å; Y267-V273 HydrophobicContact CG-CG1 4.35Å
268	E	71.3	Confident	84.2	Confident	120 Å²	120	81.6 Å²	81.6	56%	0.561	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	-176.8	-84	-173.5	-175	0	0	113.7
269	D	81	Confident	84.3	Confident	159 Å²	159	79.9 Å²	79.9	85%	0.85	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.1	-179.7	-64.9	-36.5	0	0	0	113.8	Y267 P271	Y267-D269 PolarHBondContact O-N 2.76Å; Y267-D269 VanDerWaalsContact O-N 3.15Å; D269-P271 WeakPolarHBondContact O-CD 3.24Å
270	V	87	Confident	84.4	Confident	58 Å²	58	80.4 Å²	80.4	35%	0.352	42%	0.419	S	S	.	.			trans	-94	111.1	-179.1	-174.3	0	0	0	0	110.5	Y267 S272 V273 K274	Y267-V270 PolarHBondContact O-N 2.97Å; Y267-V270 VanDerWaalsContact O-N 3.09Å; V270-S272 VanDerWaalsContact C-N 3.34Å; V270-S272 WeakPolarHBondContact CG1-OG 3.43Å; V270-S272 PolarHBondContact O-N 3.13Å; V270-V273 HydrophobicContact CB-CB 4.12Å; V270-V273 HydrophobicContact CB-CG2 3.95Å; V270-V273 HydrophobicContact CG1-CB 4.29Å; V270-V273 HydrophobicContact CG1-CG2 3.77Å; V270-V273 PolarHBondContact O-N 3.07Å; V270-K274 PolarHBondContact O-N 2.94Å
271	P	88.7	Confident	84.5	Confident	79 Å²	79	78.8 Å²	78.8	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-36.9	-172.6	-26.1	35.8	0	0	0	114.6	D269 K274 A275	D269-P271 WeakPolarHBondContact O-CD 3.24Å; P271-K274 PolarHBondContact O-N 3.41Å; P271-A275 WeakPolarHBondContact O-CB 2.94Å; P271-A275 PolarHBondContact O-N 2.78Å
272	S	86.3	Confident	84.5	Confident	59 Å²	59	76.6 Å²	76.6	41%	0.413	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-42.9	178	52.9	0	0	0	0	112	V270 A275 A276	V270-S272 VanDerWaalsContact C-N 3.34Å; V270-S272 WeakPolarHBondContact CG1-OG 3.43Å; V270-S272 PolarHBondContact O-N 3.13Å; S272-A275 WeakPolarHBondContact O-CB 3.48Å; S272-A275 PolarHBondContact O-N 3.07Å; S272-A276 PolarHBondContact O-N 3.42Å
273	V	84.3	Confident	84.2	Confident	36 Å²	36	75.2 Å²	75.2	22%	0.218	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-45	176.4	-180	0	0	0	0	110	Y267 V270 A275 A276 Q277	Y267-V273 HydrophobicContact CG-CG1 4.35Å; V270-V273 HydrophobicContact CB-CB 4.12Å; V270-V273 HydrophobicContact CB-CG2 3.95Å; V270-V273 HydrophobicContact CG1-CB 4.29Å; V270-V273 HydrophobicContact CG1-CG2 3.77Å; V270-V273 PolarHBondContact O-N 3.07Å; V273-A275 VanDerWaalsContact C-N 3.29Å; V273-A275 PolarHBondContact O-N 3.45Å; V273-A276 WeakPolarHBondContact O-CB 3.06Å; V273-A276 PolarHBondContact O-N 2.79Å; V273-A276 VanDerWaalsContact O-N 3.11Å; V273-Q277 HydrophobicContact CG1-CG 4.18Å; V273-Q277 VanDerWaalsContact O-CG 3.3Å; V273-Q277 WeakPolarHBondContact O-CG 3.07Å; V273-Q277 PolarHBondContact O-N 3.03Å
274	K	86.3	Confident	84	Confident	122 Å²	122	71.7 Å²	71.7	53%	0.53	38%	0.384	S	S	.	.	H	α-helix	trans	-58.1	-40.5	175.3	-171.8	171.4	-171.6	162.1	0	112.6	V270 P271 Q277 T278	V270-K274 PolarHBondContact O-N 2.94Å; P271-K274 PolarHBondContact O-N 3.41Å; K274-Q277 PolarHBondContact O-N 2.82Å; K274-T278 WeakPolarHBondContact O-CB 3.47Å; K274-T278 PolarHBondContact O-N 3.49Å; K274-T278 PolarHBondContact O-OG1 2.73Å
275	A	87.9	Confident	83.7	Confident	33 Å²	33	75.1 Å²	75.1	27%	0.273	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-47	174.3	0	0	0	0	0	111.5	A30 P271 S272 V273 Q277 T278 F279	A30-A275 HydrophobicContact CB-CB 4.35Å; P271-A275 WeakPolarHBondContact O-CB 2.94Å; P271-A275 PolarHBondContact O-N 2.78Å; S272-A275 WeakPolarHBondContact O-CB 3.48Å; S272-A275 PolarHBondContact O-N 3.07Å; V273-A275 VanDerWaalsContact C-N 3.29Å; V273-A275 PolarHBondContact O-N 3.45Å; A275-Q277 PolarHBondContact O-N 3.37Å; A275-T278 PolarHBondContact O-N 2.73Å; A275-F279 WeakPolarHBondContact O-CB 3.12Å; A275-F279 PolarHBondContact O-N 2.77Å
276	A	87.9	Confident	83.1	Confident	38 Å²	38	71.3 Å²	71.3	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.5	0	0	0	0	0	112.6	L262 S272 V273 F279 Y280	L262-A276 HydrophobicContact CD2-CB 3.95Å; S272-A276 PolarHBondContact O-N 3.42Å; V273-A276 WeakPolarHBondContact O-CB 3.06Å; V273-A276 PolarHBondContact O-N 2.79Å; V273-A276 VanDerWaalsContact O-N 3.11Å; A276-F279 WeakPolarHBondContact O-CB 3.47Å; A276-F279 PolarHBondContact O-N 3.05Å; A276-Y280 WeakPolarHBondContact O-CB 3.48Å; A276-Y280 PolarHBondContact O-N 3.15Å
277	Q	87.1	Confident	82.5	Confident	15 Å²	15	66 Å²	66	7%	0.07	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-45.5	175.3	-71.1	-176.3	-13.8	0	0	112.1	M261 L262 S264 V273 K274 A275 F279 Y280 K281	M261-Q277 PolarHBondContact O-NE2 2.94Å; L262-Q277 HydrophobicContact CD2-CG 4.3Å; L262-Q277 WeakPolarHBondContact O-CG 3.4Å; S264-Q277 PolarHBondContact O-NE2 3.11Å; V273-Q277 HydrophobicContact CG1-CG 4.18Å; V273-Q277 VanDerWaalsContact O-CG 3.3Å; V273-Q277 WeakPolarHBondContact O-CG 3.07Å; V273-Q277 PolarHBondContact O-N 3.03Å; K274-Q277 PolarHBondContact O-N 2.82Å; A275-Q277 PolarHBondContact O-N 3.37Å; Q277-F279 VanDerWaalsContact C-N 3.34Å; Q277-Y280 PolarHBondContact O-N 2.85Å; Q277-K281 WeakPolarHBondContact O-CB 3.12Å; Q277-K281 WeakPolarHBondContact O-CG 3.22Å; Q277-K281 PolarHBondContact O-N 3.06Å
278	T	87.9	Confident	82.3	Confident	73 Å²	73	66.3 Å²	66.3	45%	0.448	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-46.2	175.9	-74.2	0	0	0	0	110.6	K274 A275 Y280 K281 T282	K274-T278 WeakPolarHBondContact O-CB 3.47Å; K274-T278 PolarHBondContact O-N 3.49Å; K274-T278 PolarHBondContact O-OG1 2.73Å; A275-T278 PolarHBondContact O-N 2.73Å; T278-Y280 PolarHBondContact O-N 2.73Å; T278-K281 WeakPolarHBondContact O-CB 3.1Å; T278-K281 PolarHBondContact O-N 3.25Å; T278-T282 WeakPolarHBondContact O-CG2 3.41Å; T278-T282 PolarHBondContact O-N 3.32Å
279	F	87.2	Confident	82.6	Confident	51 Å²	51	63.7 Å²	63.7	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-50.4	174.8	166	-84.7	0	0	0	112.1	C23 I26 V27 A275 A276 Q277 K281 T282 C283	C23-F279 HydrophobicContact CB-CD1 3.81Å; C23-F279 HydrophobicContact CB-CD2 3.46Å; C23-F279 VanDerWaalsContact CB-CD2 3.46Å; C23-F279 HydrophobicContact CB-CE1 3.34Å; C23-F279 HydrophobicContact CB-CE2 3.08Å; C23-F279 HydrophobicContact CB-CG 3.88Å; C23-F279 HydrophobicContact CB-CZ 3.03Å; C23-F279 WeakPolarHBondContact O-CD2 3.34Å; C23-F279 WeakPolarHBondContact O-CE2 3.4Å; C23-F279 WeakPolarHBondContact SG-CD1 3.22Å; C23-F279 WeakPolarHBondContact SG-CE1 3.48Å; C23-F279 WeakPolarHBondContact SG-CG 3.2Å; C23-F279 VanDerWaalsContact SG-CZ 3.56Å; I26-F279 HydrophobicContact CB-CD2 4.16Å; I26-F279 HydrophobicContact CG2-CB 4.33Å; I26-F279 HydrophobicContact CG2-CD2 4.31Å; V27-F279 HydrophobicContact CB-CD2 4.15Å; V27-F279 HydrophobicContact CB-CE2 3.68Å; V27-F279 HydrophobicContact CG2-CD2 3.4Å; V27-F279 HydrophobicContact CG2-CE2 3.09Å; V27-F279 HydrophobicContact CG2-CG 4.24Å; V27-F279 HydrophobicContact CG2-CZ 3.89Å; A275-F279 WeakPolarHBondContact O-CB 3.12Å; A275-F279 PolarHBondContact O-N 2.77Å; A276-F279 WeakPolarHBondContact O-CB 3.47Å; A276-F279 PolarHBondContact O-N 3.05Å; Q277-F279 VanDerWaalsContact C-N 3.34Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 2.71Å; F279-T282 PolarHBondContact O-N 3.22Å; F279-T282 VanDerWaalsContact O-N 3.1Å; F279-T282 PolarHBondContact O-OG1 3Å; F279-C283 WeakPolarHBondContact O-CB 3.46Å; F279-C283 PolarHBondContact O-N 3.27Å; F279-C283 PolarHBondContact O-SG 2.91Å
280	Y	86	Confident	82.4	Confident	69 Å²	69	58.2 Å²	58.2	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-44.1	176.8	175	-100.7	0	0	0	111.6	M259 L262 A276 Q277 T278 T282 C283 T284	M259-Y280 HydrophobicContact CE-CE1 4.39Å; M259-Y280 HydrophobicContact CE-CE2 4.04Å; M259-Y280 WeakPolarHBondContact CE-OH 3.5Å; M259-Y280 HydrophobicContact SD-CE2 3.65Å; L262-Y280 HydrophobicContact CB-CD1 4.39Å; L262-Y280 HydrophobicContact CB-CG 4.45Å; L262-Y280 HydrophobicContact CD1-CD2 3.83Å; L262-Y280 HydrophobicContact CD1-CG 3.84Å; A276-Y280 WeakPolarHBondContact O-CB 3.48Å; A276-Y280 PolarHBondContact O-N 3.15Å; Q277-Y280 PolarHBondContact O-N 2.85Å; T278-Y280 PolarHBondContact O-N 2.73Å; Y280-T282 PolarHBondContact O-N 3.33Å; Y280-C283 WeakPolarHBondContact O-CB 3.4Å; Y280-C283 PolarHBondContact O-N 3.19Å; Y280-T284 HydrophobicContact CD1-CG2 4.38Å; Y280-T284 HydrophobicContact CE1-CG2 3.78Å; Y280-T284 HydrophobicContact CE2-CG2 4.08Å; Y280-T284 PolarHBondContact O-N 3.16Å
281	K	85.5	Confident	82	Confident	119 Å²	119	62.1 Å²	62.1	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-45.3	174.5	-74.5	171.2	-177.7	171.2	0	111.8	Q277 T278 F279 C283 T284 I285	Q277-K281 WeakPolarHBondContact O-CB 3.12Å; Q277-K281 WeakPolarHBondContact O-CG 3.22Å; Q277-K281 PolarHBondContact O-N 3.06Å; T278-K281 WeakPolarHBondContact O-CB 3.1Å; T278-K281 PolarHBondContact O-N 3.25Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 2.71Å; K281-C283 PolarHBondContact O-N 3.21Å; K281-T284 PolarHBondContact O-N 2.98Å; K281-T284 PolarHBondContact O-OG1 3.17Å; K281-I285 VanDerWaalsContact O-CG1 3.32Å; K281-I285 WeakPolarHBondContact O-CG1 3.46Å; K281-I285 PolarHBondContact O-N 2.77Å
282	T	83.9	Confident	81.6	Confident	46 Å²	46	63.4 Å²	63.4	28%	0.282	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-37	177.3	59.7	0	0	0	0	112.6	I26 T278 F279 Y280 I285 A286	I26-T282 HydrophobicContact CD1-CG2 3.96Å; I26-T282 WeakPolarHBondContact CD1-OG1 3.31Å; T278-T282 WeakPolarHBondContact O-CG2 3.41Å; T278-T282 PolarHBondContact O-N 3.32Å; F279-T282 PolarHBondContact O-N 3.22Å; F279-T282 VanDerWaalsContact O-N 3.1Å; F279-T282 PolarHBondContact O-OG1 3Å; Y280-T282 PolarHBondContact O-N 3.33Å; T282-I285 PolarHBondContact O-N 3.39Å; T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.07Å
283	C	79.5	Confident	81.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	36%	0.364	C	S	.	.	H	α-helix	trans	-71.3	-37	-179.8	-75.4	0	0	0	0	112.3	I19 C23 F279 Y280 K281 S287	I19-C283 HydrophobicContact CB-CB 3.81Å; I19-C283 HydrophobicContact CD1-CB 4.26Å; I19-C283 HydrophobicContact CG1-CB 3.65Å; I19-C283 WeakPolarHBondContact CG1-O 3.03Å; I19-C283 HydrophobicContact CG2-CB 3.33Å; I19-C283 PolarHBondContact O-SG 2.98Å; C23-C283 WeakPolarHBondContact CB-SG 3.42Å; C23-C283 WeakPolarHBondContact SG-CB 3.43Å; C23-C283 CovalentContact SG-SG 2.05Å; C23-C283 PolarHBondContact SG-SG 2.99Å; F279-C283 WeakPolarHBondContact O-CB 3.46Å; F279-C283 PolarHBondContact O-N 3.27Å; F279-C283 PolarHBondContact O-SG 2.91Å; Y280-C283 WeakPolarHBondContact O-CB 3.4Å; Y280-C283 PolarHBondContact O-N 3.19Å; K281-C283 PolarHBondContact O-N 3.21Å; C283-S287 WeakPolarHBondContact O-CB 3.5Å; C283-S287 PolarHBondContact O-N 3.18Å; C283-S287 VanDerWaalsContact O-N 3.09Å; C283-S287 PolarHBondContact O-OG 3.36Å
284	T	78.5	Confident	80.9	Confident	58 Å²	58	65.9 Å²	65.9	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-67	-36.8	169.9	60.7	0	0	0	0	112.8	Y280 K281 S287 S288	Y280-T284 HydrophobicContact CD1-CG2 4.38Å; Y280-T284 HydrophobicContact CE1-CG2 3.78Å; Y280-T284 HydrophobicContact CE2-CG2 4.08Å; Y280-T284 PolarHBondContact O-N 3.16Å; K281-T284 PolarHBondContact O-N 2.98Å; K281-T284 PolarHBondContact O-OG1 3.17Å; T284-S287 WeakPolarHBondContact O-CB 3.5Å; T284-S287 PolarHBondContact O-N 3.19Å; T284-S288 PolarHBondContact O-N 3.33Å
285	I	77.8	Confident	80.6	Confident	95 Å²	95	64 Å²	64	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-48.4	174.6	-66.4	165	0	0	0	110.4	K281 T282 S287 S288 M289	K281-I285 VanDerWaalsContact O-CG1 3.32Å; K281-I285 WeakPolarHBondContact O-CG1 3.46Å; K281-I285 PolarHBondContact O-N 2.77Å; T282-I285 PolarHBondContact O-N 3.39Å; I285-S287 PolarHBondContact O-N 3.28Å; I285-S288 WeakPolarHBondContact O-CA 3.41Å; I285-S288 WeakPolarHBondContact O-CB 3.44Å; I285-S288 PolarHBondContact O-N 3.23Å; I285-S288 PolarHBondContact O-OG 3.35Å; I285-M289 HydrophobicContact CG2-CE 3.94Å; I285-M289 WeakPolarHBondContact O-CG 3.45Å; I285-M289 PolarHBondContact O-N 2.76Å
286	A	70.6	Confident	80.4	Confident	24 Å²	24	68.4 Å²	68.4	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-54.2	-42.4	177.7	0	0	0	0	0	111.6	T282 S288 M289	T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.07Å; A286-S288 PolarHBondContact O-N 2.73Å; A286-M289 WeakPolarHBondContact O-CB 3.32Å; A286-M289 PolarHBondContact O-N 2.8Å; A286-M289 VanDerWaalsContact O-N 3.09Å
287	S	69	Low	80.2	Confident	44 Å²	44	71.8 Å²	71.8	31%	0.308	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-27.2	175.7	-62.4	0	0	0	0	114.3	L15 I19 C283 T284 I285	L15-S287 VanDerWaalsContact CD2-CB 3.42Å; L15-S287 VanDerWaalsContact CD2-OG 3.22Å; L15-S287 WeakPolarHBondContact CD2-OG 3.22Å; L15-S287 WeakPolarHBondContact CG-OG 3.46Å; I19-S287 WeakPolarHBondContact CD1-OG 3.42Å; C283-S287 WeakPolarHBondContact O-CB 3.5Å; C283-S287 PolarHBondContact O-N 3.18Å; C283-S287 VanDerWaalsContact O-N 3.09Å; C283-S287 PolarHBondContact O-OG 3.36Å; T284-S287 WeakPolarHBondContact O-CB 3.5Å; T284-S287 PolarHBondContact O-N 3.19Å; I285-S287 PolarHBondContact O-N 3.28Å
288	S	75	Confident	80	Confident	93 Å²	93	73.1 Å²	73.1	65%	0.65	39%	0.39	S	S	*	.	H	α-helix	trans	-89.1	-9	177.7	75.4	0	0	0	0	113.6	T284 I285 A286 G290	T284-S288 PolarHBondContact O-N 3.33Å; I285-S288 WeakPolarHBondContact O-CA 3.41Å; I285-S288 WeakPolarHBondContact O-CB 3.44Å; I285-S288 PolarHBondContact O-N 3.23Å; I285-S288 PolarHBondContact O-OG 3.35Å; A286-S288 PolarHBondContact O-N 2.73Å; S288-G290 PolarHBondContact O-N 2.99Å
289	M	76.9	Confident	79.7	Confident	66 Å²	66	71.1 Å²	71.1	33%	0.325	38%	0.384	S	S	.	.	S	Bend	trans	-66.5	135.4	-177.8	-66.2	-171.5	-175.9	0	0	111	I285 A286 L293 I294	I285-M289 HydrophobicContact CG2-CE 3.94Å; I285-M289 WeakPolarHBondContact O-CG 3.45Å; I285-M289 PolarHBondContact O-N 2.76Å; A286-M289 WeakPolarHBondContact O-CB 3.32Å; A286-M289 PolarHBondContact O-N 2.8Å; A286-M289 VanDerWaalsContact O-N 3.09Å; M289-L293 HydrophobicContact CB-CD2 4.23Å; M289-L293 HydrophobicContact CG-CD2 3.98Å; M289-L293 HydrophobicContact SD-CD2 3.81Å; M289-L293 HydrophobicContact SD-CG 4.26Å; M289-I294 HydrophobicContact CB-CD1 4.31Å; M289-I294 HydrophobicContact CB-CG1 3.9Å
290	G	77.8	Confident	79.7	Confident	44 Å²	44	72.7 Å²	72.7	45%	0.454	39%	0.391	S	S	.	.			trans	-63.9	145.3	172.2	0	0	0	0	0	111.2	S288 P292 L293 I294	S288-G290 PolarHBondContact O-N 2.99Å; G290-P292 VanDerWaalsContact C-N 3.29Å; G290-P292 VanDerWaalsContact O-N 3.11Å; G290-L293 WeakPolarHBondContact O-CB 3.36Å; G290-L293 PolarHBondContact O-N 3.04Å; G290-I294 PolarHBondContact O-N 3.18Å
291	K	77.4	Confident	79.7	Confident	140 Å²	140	73.3 Å²	73.3	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-44.7	-42.8	178.2	-67.5	-171.8	171.7	-161.5	0	114.9	L293 I294 K295 N401	K291-L293 VanDerWaalsContact C-N 3.27Å; K291-L293 PolarHBondContact O-N 2.05Å; K291-I294 PolarHBondContact O-N 3.45Å; K291-K295 PolarHBondContact O-N 3.33Å; K291-N401 PolarHBondContact NZ-OD1 3.27Å
292	P	80.4	Confident	79.7	Confident	105 Å²	105	68.9 Å²	68.9	68%	0.682	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-34.8	179.6	-23.6	35	0	0	0	113.4	G290 K296	G290-P292 VanDerWaalsContact C-N 3.29Å; G290-P292 VanDerWaalsContact O-N 3.11Å; P292-K296 WeakPolarHBondContact O-CB 3.45Å; P292-K296 PolarHBondContact O-N 3.48Å
293	L	81.2	Confident	79.7	Confident	80 Å²	80	72.1 Å²	72.1	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-73.3	-39.3	178.5	-171.7	64.5	0	0	0	111.1	M289 G290 K291 K296 K297	M289-L293 HydrophobicContact CB-CD2 4.23Å; M289-L293 HydrophobicContact CG-CD2 3.98Å; M289-L293 HydrophobicContact SD-CD2 3.81Å; M289-L293 HydrophobicContact SD-CG 4.26Å; G290-L293 WeakPolarHBondContact O-CB 3.36Å; G290-L293 PolarHBondContact O-N 3.04Å; K291-L293 VanDerWaalsContact C-N 3.27Å; K291-L293 PolarHBondContact O-N 2.05Å; L293-K296 PolarHBondContact O-N 3.09Å; L293-K297 WeakPolarHBondContact O-CB 3.31Å; L293-K297 WeakPolarHBondContact O-CG 3.49Å; L293-K297 PolarHBondContact O-N 2.85Å
294	I	74.7	Confident	80.1	Confident	67 Å²	67	78.5 Å²	78.5	34%	0.344	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-50.9	174.2	-63.9	172.6	0	0	0	110.1	M289 G290 K291 K296 K297 I298	M289-I294 HydrophobicContact CB-CD1 4.31Å; M289-I294 HydrophobicContact CB-CG1 3.9Å; G290-I294 PolarHBondContact O-N 3.18Å; K291-I294 PolarHBondContact O-N 3.45Å; I294-K296 VanDerWaalsContact C-N 3.32Å; I294-K296 PolarHBondContact O-N 3.27Å; I294-K297 PolarHBondContact O-N 3.31Å; I294-K297 VanDerWaalsContact O-N 3.11Å; I294-I298 HydrophobicContact CG2-CD1 3.66Å; I294-I298 HydrophobicContact CG2-CG1 4.33Å; I294-I298 WeakPolarHBondContact O-CG1 3.37Å; I294-I298 PolarHBondContact O-N 3.31Å
295	K	80.9	Confident	80.5	Confident	82 Å²	82	77.8 Å²	77.8	36%	0.357	42%	0.418	S	S	.	.	H	α-helix	trans	-52.2	-50	174.1	159.9	159.2	-174.1	172.3	0	111.5	K291 K297 I298 G299 V402 G403	K291-K295 PolarHBondContact O-N 3.33Å; K295-K297 PolarHBondContact O-N 2.63Å; K295-I298 PolarHBondContact O-N 3.1Å; K295-G299 PolarHBondContact O-N 3.31Å; K295-V402 WeakPolarHBondContact CG-O 3.29Å; K295-G403 PolarHBondContact NZ-O 3.39Å; K295-G403 VanDerWaalsContact NZ-O 3.11Å
296	K	83.6	Confident	81	Confident	126 Å²	126	76 Å²	76	55%	0.548	41%	0.407	S	S	.	.	H	α-helix	trans	-58.5	-45.7	177.3	-178.6	178	174	179	0	112	P292 L293 I294 G299 E300	P292-K296 WeakPolarHBondContact O-CB 3.45Å; P292-K296 PolarHBondContact O-N 3.48Å; L293-K296 PolarHBondContact O-N 3.09Å; I294-K296 VanDerWaalsContact C-N 3.32Å; I294-K296 PolarHBondContact O-N 3.27Å; K296-G299 PolarHBondContact O-N 3.09Å; K296-E300 WeakPolarHBondContact CE-OE1 3.41Å; K296-E300 IonicContact NZ-OE1 2.71Å; K296-E300 WeakPolarHBondContact O-CG 3.05Å; K296-E300 PolarHBondContact O-N 2.91Å
297	K	83.6	Confident	81.8	Confident	109 Å²	109	80.1 Å²	80.1	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-38	-178.5	-75.4	-73.9	163.7	-152.4	0	112.8	L293 I294 K295 E300 L301	L293-K297 WeakPolarHBondContact O-CB 3.31Å; L293-K297 WeakPolarHBondContact O-CG 3.49Å; L293-K297 PolarHBondContact O-N 2.85Å; I294-K297 PolarHBondContact O-N 3.31Å; I294-K297 VanDerWaalsContact O-N 3.11Å; K295-K297 PolarHBondContact O-N 2.63Å; K297-E300 WeakPolarHBondContact CE-OE2 3.47Å; K297-E300 IonicContact NZ-OE2 3.26Å; K297-E300 PolarHBondContact NZ-OE2 2.91Å; K297-E300 PolarHBondContact O-N 2.65Å; K297-L301 WeakPolarHBondContact O-CB 3.44Å; K297-L301 PolarHBondContact O-N 3.45Å
298	I	82.3	Confident	82.5	Confident	44 Å²	44	78.7 Å²	78.7	23%	0.226	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-45.9	174.6	-68.2	171.2	0	0	0	110.2	I294 K295 E300 L301 I302 V402	I294-I298 HydrophobicContact CG2-CD1 3.66Å; I294-I298 HydrophobicContact CG2-CG1 4.33Å; I294-I298 WeakPolarHBondContact O-CG1 3.37Å; I294-I298 PolarHBondContact O-N 3.31Å; K295-I298 PolarHBondContact O-N 3.1Å; I298-E300 PolarHBondContact O-N 3.41Å; I298-L301 WeakPolarHBondContact O-CB 3.17Å; I298-L301 PolarHBondContact O-N 3.34Å; I298-L301 VanDerWaalsContact O-N 3.15Å; I298-I302 HydrophobicContact CG2-CD1 3.71Å; I298-I302 HydrophobicContact CG2-CG1 4.32Å; I298-I302 WeakPolarHBondContact O-CG1 3.33Å; I298-I302 PolarHBondContact O-N 3.48Å; I298-V402 HydrophobicContact CD1-CB 3.99Å; I298-V402 HydrophobicContact CD1-CG1 3.46Å; I298-V402 VanDerWaalsContact CD1-CG1 3.46Å; I298-V402 HydrophobicContact CG2-CB 4.13Å
299	G	81.9	Confident	83	Confident	31 Å²	31	77.2 Å²	77.2	32%	0.32	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-42.9	175.2	0	0	0	0	0	113.2	K295 K296 L301 I302 K303	K295-G299 PolarHBondContact O-N 3.31Å; K296-G299 PolarHBondContact O-N 3.09Å; G299-L301 VanDerWaalsContact C-N 3.31Å; G299-L301 PolarHBondContact O-N 3.21Å; G299-I302 PolarHBondContact O-N 3.26Å; G299-K303 WeakPolarHBondContact O-CB 3.47Å; G299-K303 PolarHBondContact O-N 3.23Å
300	E	86.6	Confident	83.3	Confident	83 Å²	83	76.5 Å²	76.5	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-59.1	-41.9	173	-76.4	174.5	177.1	0	0	111.7	K296 K297 I298 L304	K296-E300 WeakPolarHBondContact CE-OE1 3.41Å; K296-E300 IonicContact NZ-OE1 2.71Å; K296-E300 WeakPolarHBondContact O-CG 3.05Å; K296-E300 PolarHBondContact O-N 2.91Å; K297-E300 WeakPolarHBondContact CE-OE2 3.47Å; K297-E300 IonicContact NZ-OE2 3.26Å; K297-E300 PolarHBondContact NZ-OE2 2.91Å; K297-E300 PolarHBondContact O-N 2.65Å; I298-E300 PolarHBondContact O-N 3.41Å; E300-L304 VanDerWaalsContact O-CB 3.27Å; E300-L304 WeakPolarHBondContact O-CB 3.35Å; E300-L304 PolarHBondContact O-N 3Å
301	L	86.7	Confident	83.4	Confident	83 Å²	83	75.3 Å²	75.3	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-45.8	179.7	-174	65.2	0	0	0	112	K297 I298 G299 K303 L304 L305	K297-L301 WeakPolarHBondContact O-CB 3.44Å; K297-L301 PolarHBondContact O-N 3.45Å; I298-L301 WeakPolarHBondContact O-CB 3.17Å; I298-L301 PolarHBondContact O-N 3.34Å; I298-L301 VanDerWaalsContact O-N 3.15Å; G299-L301 VanDerWaalsContact C-N 3.31Å; G299-L301 PolarHBondContact O-N 3.21Å; L301-K303 VanDerWaalsContact C-N 3.31Å; L301-K303 PolarHBondContact O-N 3.49Å; L301-L304 PolarHBondContact O-N 2.78Å; L301-L305 HydrophobicContact CD1-CD1 3.64Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CD2-CD1 4.34Å; L301-L305 HydrophobicContact CG-CD1 3.63Å; L301-L305 HydrophobicContact CG-CG 4.3Å; L301-L305 WeakPolarHBondContact O-CB 3.5Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.48Å
302	I	85	Confident	83.4	Confident	25 Å²	25	69 Å²	69	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177	-68.6	169.3	0	0	0	110.2	I298 G299 L304 L305 F306 G308 W309	I298-I302 HydrophobicContact CG2-CD1 3.71Å; I298-I302 HydrophobicContact CG2-CG1 4.32Å; I298-I302 WeakPolarHBondContact O-CG1 3.33Å; I298-I302 PolarHBondContact O-N 3.48Å; G299-I302 PolarHBondContact O-N 3.26Å; I302-L304 VanDerWaalsContact C-N 3.33Å; I302-L304 PolarHBondContact O-N 2.96Å; I302-L305 PolarHBondContact O-N 3.28Å; I302-F306 WeakPolarHBondContact O-CA 3.32Å; I302-F306 PolarHBondContact O-N 3.18Å; I302-G308 PolarHBondContact O-N 2.89Å; I302-W309 HydrophobicContact CD1-CD2 3.86Å; I302-W309 HydrophobicContact CD1-CE3 3.91Å; I302-W309 HydrophobicContact CD1-CH2 3.51Å; I302-W309 HydrophobicContact CD1-CZ2 3.37Å; I302-W309 HydrophobicContact CD1-CZ3 3.79Å; I302-W309 HydrophobicContact CG2-CB 3.93Å; I302-W309 HydrophobicContact CG2-CD2 4.08Å; I302-W309 HydrophobicContact CG2-CG 3.75Å
303	K	85.4	Confident	83	Confident	115 Å²	115	66.6 Å²	66.6	50%	0.5	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-40.5	175.4	-173.1	168.5	-174.9	161.6	0	112.3	G299 L301 N307	G299-K303 WeakPolarHBondContact O-CB 3.47Å; G299-K303 PolarHBondContact O-N 3.23Å; L301-K303 VanDerWaalsContact C-N 3.31Å; L301-K303 PolarHBondContact O-N 3.49Å; K303-N307 VanDerWaalsContact O-CA 3.22Å; K303-N307 WeakPolarHBondContact O-CA 3.32Å; K303-N307 PolarHBondContact O-N 3.47Å
304	L	87.7	Confident	82.9	Confident	135 Å²	135	65.7 Å²	65.7	71%	0.707	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-41.1	179.9	-179.6	65.4	0	0	0	112.6	E300 L301 I302	E300-L304 VanDerWaalsContact O-CB 3.27Å; E300-L304 WeakPolarHBondContact O-CB 3.35Å; E300-L304 PolarHBondContact O-N 3Å; L301-L304 PolarHBondContact O-N 2.78Å; I302-L304 VanDerWaalsContact C-N 3.33Å; I302-L304 PolarHBondContact O-N 2.96Å
305	L	86.9	Confident	83.2	Confident	43 Å²	43	68 Å²	68	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-88	-43.6	-172.8	-64.2	172.6	0	0	0	112.8	L301 I302 P339	L301-L305 HydrophobicContact CD1-CD1 3.64Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CD2-CD1 4.34Å; L301-L305 HydrophobicContact CG-CD1 3.63Å; L301-L305 HydrophobicContact CG-CG 4.3Å; L301-L305 WeakPolarHBondContact O-CB 3.5Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.48Å; I302-L305 PolarHBondContact O-N 3.28Å; L305-P339 HydrophobicContact CB-CB 3.95Å; L305-P339 HydrophobicContact CB-CG 4.4Å; L305-P339 HydrophobicContact CD2-CB 4.24Å; L305-P339 WeakPolarHBondContact O-CG 3.47Å
306	F	87	Confident	83.4	Confident	56 Å²	56	68.4 Å²	68.4	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-115.1	7.2	-169.5	-57.5	-74.4	0	0	0	113	I302 G308 L336 P339	I302-F306 WeakPolarHBondContact O-CA 3.32Å; I302-F306 PolarHBondContact O-N 3.18Å; F306-G308 PolarHBondContact O-N 3.34Å; F306-L336 WeakPolarHBondContact CE1-O 3.48Å; F306-P339 HydrophobicContact CD1-CB 4.4Å; F306-P339 HydrophobicContact CD1-CG 4.14Å; F306-P339 HydrophobicContact CE1-CB 3.81Å; F306-P339 HydrophobicContact CE1-CG 3.95Å; F306-P339 HydrophobicContact CZ-CB 3.96Å
307	N	86.9	Confident	83.3	Confident	112 Å²	112	65.4 Å²	65.4	60%	0.599	34%	0.344	S	S	*	.	S	Bend	trans	57.4	23.9	-172.4	-66	-39.1	0	0	0	113.9	K303 V325	K303-N307 VanDerWaalsContact O-CA 3.22Å; K303-N307 WeakPolarHBondContact O-CA 3.32Å; K303-N307 PolarHBondContact O-N 3.47Å; N307-V325 HydrophobicContact CB-CG2 3.6Å
308	G	84.8	Confident	83.2	Confident	14 Å²	14	61.6 Å²	61.6	14%	0.144	33%	0.327	C	S	.	.			trans	111	-169.8	178.7	0	0	0	0	0	112.5	I302 F306	I302-G308 PolarHBondContact O-N 2.89Å; F306-G308 PolarHBondContact O-N 3.34Å
309	W	84.6	Confident	83.3	Confident	61 Å²	61	63.4 Å²	63.4	23%	0.231	34%	0.337	C	S	.	.			trans	-156.1	154.2	176.9	63.6	-15.1	0	0	0	110.7	I302 M311 V321 L399 V402 E404	I302-W309 HydrophobicContact CD1-CD2 3.86Å; I302-W309 HydrophobicContact CD1-CE3 3.91Å; I302-W309 HydrophobicContact CD1-CH2 3.51Å; I302-W309 HydrophobicContact CD1-CZ2 3.37Å; I302-W309 HydrophobicContact CD1-CZ3 3.79Å; I302-W309 HydrophobicContact CG2-CB 3.93Å; I302-W309 HydrophobicContact CG2-CD2 4.08Å; I302-W309 HydrophobicContact CG2-CG 3.75Å; W309-M311 VanDerWaalsContact C-N 3.25Å; W309-M311 HydrophobicContact CD2-CB 4.13Å; W309-M311 HydrophobicContact CE3-CB 4.15Å; W309-M311 PolarHBondContact O-N 3.16Å; W309-V321 VanDerWaalsContact N-CG2 3.33Å; W309-L399 HydrophobicContact CH2-CD2 4.29Å; W309-L399 HydrophobicContact CZ3-CD2 4.1Å; W309-V402 HydrophobicContact CH2-CG2 3.94Å; W309-E404 HydrophobicContact CH2-CG 3.85Å; W309-E404 WeakPolarHBondContact CH2-OE1 3.34Å; W309-E404 HydrophobicContact CZ2-CG 4.13Å; W309-E404 WeakPolarHBondContact CZ2-OE1 3.44Å; W309-E404 WeakPolarHBondContact CZ2-OE2 3.33Å; W309-E404 HydrophobicContact CZ3-CG 4.4Å
310	L	83.4	Confident	83.4	Confident	52 Å²	52	65 Å²	65	27%	0.272	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.2	-176.3	-161.9	67.7	0	0	0	113.1	S312 Q318 E322 M411	L310-S312 PolarHBondContact O-N 3.31Å; L310-Q318 HydrophobicContact CD1-CB 4.34Å; L310-Q318 WeakPolarHBondContact O-CG 3.48Å; L310-Q318 PolarHBondContact O-NE2 3.16Å; L310-E322 HydrophobicContact CD1-CG 3.98Å; L310-M411 HydrophobicContact CD2-CE 3.98Å; L310-M411 HydrophobicContact CD2-SD 3.85Å; L310-M411 HydrophobicContact CG-CE 4.04Å; L310-M411 HydrophobicContact CG-SD 3.89Å
311	M	80.4	Confident	83.4	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.089	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.9	-177.9	-67	-65.1	-65.4	0	0	113.2	W309 E404 N408 M411 M412	W309-M311 VanDerWaalsContact C-N 3.25Å; W309-M311 HydrophobicContact CD2-CB 4.13Å; W309-M311 HydrophobicContact CE3-CB 4.15Å; W309-M311 PolarHBondContact O-N 3.16Å; M311-E404 WeakPolarHBondContact CA-OE2 3.4Å; M311-E404 HydrophobicContact CB-CG 3.99Å; M311-E404 WeakPolarHBondContact CB-OE2 3.49Å; M311-E404 HydrophobicContact CE-CB 4.37Å; M311-N408 HydrophobicContact CE-CB 3.64Å; M311-N408 WeakPolarHBondContact CE-O 3.45Å; M311-N408 PolarHBondContact O-ND2 3.18Å; M311-N408 HydrophobicContact SD-CB 3.8Å; M311-M411 HydrophobicContact SD-CB 3.77Å; M311-M411 HydrophobicContact SD-SD 4.2Å; M311-M412 HydrophobicContact CE-CG 3.64Å; M311-M412 HydrophobicContact SD-CG 3.98Å
312	S	77.4	Confident	83.3	Confident	7 Å²	7	62 Å²	62	5%	0.049	32%	0.322	C	S	.	.			trans	-50.8	142.1	-173.2	-177.2	0	0	0	0	112.5	L310 N314 E317 Q318 E404	L310-S312 PolarHBondContact O-N 3.31Å; S312-N314 PolarHBondContact O-N 3.29Å; S312-N314 VanDerWaalsContact O-N 3.14Å; S312-N314 PolarHBondContact OG-N 3.41Å; S312-E317 WeakPolarHBondContact CB-OE2 3.3Å; S312-E317 PolarHBondContact OG-OE2 3.29Å; S312-Q318 PolarHBondContact O-NE2 3.41Å; S312-E404 PolarHBondContact N-OE2 3.03Å
313	S	72.6	Confident	83.3	Confident	56 Å²	56	65.7 Å²	65.7	39%	0.392	34%	0.339	S	S	.	.	S	Bend	trans	-70.9	-0.6	173.9	65.8	0	0	0	0	115	G403	S313-G403 WeakPolarHBondContact CB-O 3.42Å
314	N	79.2	Confident	83.2	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	33%	0.334	S	S	.	.			trans	-110.3	108.1	-176.2	-179.5	-3.1	0	0	0	110.2	S312 T316 E317 Q318	S312-N314 PolarHBondContact O-N 3.29Å; S312-N314 VanDerWaalsContact O-N 3.14Å; S312-N314 PolarHBondContact OG-N 3.41Å; N314-T316 PolarHBondContact O-N 3.49Å; N314-T316 VanDerWaalsContact O-N 3.08Å; N314-T316 WeakPolarHBondContact OD1-CB 3.4Å; N314-T316 PolarHBondContact OD1-N 3.05Å; N314-T316 VanDerWaalsContact OD1-N 3.1Å; N314-E317 HydrophobicContact CB-CB 4.08Å; N314-E317 HydrophobicContact CB-CG 4.01Å; N314-E317 PolarHBondContact ND2-OE1 3.08Å; N314-E317 VanDerWaalsContact ND2-OE1 3.11Å; N314-E317 WeakPolarHBondContact O-CA 3.32Å; N314-E317 WeakPolarHBondContact O-CB 3.48Å; N314-E317 PolarHBondContact O-N 3.39Å; N314-Q318 PolarHBondContact O-N 3.01Å
315	D	80.9	Confident	83.1	Confident	116 Å²	116	58.1 Å²	58.1	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-53.7	-31.8	179.9	-56.6	-11.9	0	0	0	112.9	Q318 L319	D315-Q318 PolarHBondContact O-N 3.39Å; D315-L319 WeakPolarHBondContact O-CB 3.38Å; D315-L319 PolarHBondContact O-N 2.95Å
316	T	84	Confident	82.9	Confident	89 Å²	89	60 Å²	60	55%	0.546	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-38.1	176.5	-52.3	0	0	0	0	111.3	N314 L319 D320	N314-T316 PolarHBondContact O-N 3.49Å; N314-T316 VanDerWaalsContact O-N 3.08Å; N314-T316 WeakPolarHBondContact OD1-CB 3.4Å; N314-T316 PolarHBondContact OD1-N 3.05Å; N314-T316 VanDerWaalsContact OD1-N 3.1Å; T316-L319 PolarHBondContact O-N 3.25Å; T316-D320 WeakPolarHBondContact O-CB 3.36Å; T316-D320 VanDerWaalsContact O-CG 3.26Å; T316-D320 PolarHBondContact O-N 2.79Å
317	E	81.4	Confident	82.6	Confident	64 Å²	64	59.1 Å²	59.1	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-69.5	-36.9	175.1	-73.1	170.1	-161.4	0	0	111.6	S312 N314 D320 V321	S312-E317 WeakPolarHBondContact CB-OE2 3.3Å; S312-E317 PolarHBondContact OG-OE2 3.29Å; N314-E317 HydrophobicContact CB-CB 4.08Å; N314-E317 HydrophobicContact CB-CG 4.01Å; N314-E317 PolarHBondContact ND2-OE1 3.08Å; N314-E317 VanDerWaalsContact ND2-OE1 3.11Å; N314-E317 WeakPolarHBondContact O-CA 3.32Å; N314-E317 WeakPolarHBondContact O-CB 3.48Å; N314-E317 PolarHBondContact O-N 3.39Å; E317-D320 PolarHBondContact O-N 3.01Å; E317-V321 WeakPolarHBondContact O-CG2 3.05Å; E317-V321 PolarHBondContact O-N 2.93Å
318	Q	81.7	Confident	82	Confident	29 Å²	29	56.5 Å²	56.5	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-48.5	173	-66.9	-174.1	-28.1	0	0	110.9	L310 S312 N314 D315 D320 V321 E322 N408	L310-Q318 HydrophobicContact CD1-CB 4.34Å; L310-Q318 WeakPolarHBondContact O-CG 3.48Å; L310-Q318 PolarHBondContact O-NE2 3.16Å; S312-Q318 PolarHBondContact O-NE2 3.41Å; N314-Q318 PolarHBondContact O-N 3.01Å; D315-Q318 PolarHBondContact O-N 3.39Å; Q318-D320 VanDerWaalsContact C-N 3.33Å; Q318-D320 PolarHBondContact O-N 3.45Å; Q318-V321 WeakPolarHBondContact O-CB 3.34Å; Q318-V321 PolarHBondContact O-N 2.95Å; Q318-V321 VanDerWaalsContact O-N 3.16Å; Q318-E322 WeakPolarHBondContact O-CG 3.09Å; Q318-E322 PolarHBondContact O-N 3.09Å; Q318-N408 PolarHBondContact NE2-ND2 3.15Å; Q318-N408 VanDerWaalsContact NE2-ND2 3.19Å
319	L	84.5	Confident	81.7	Confident	82 Å²	82	63 Å²	63	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-39.9	177.5	-169.9	71.4	0	0	0	112.2	D315 T316 V321 E322 Q323	D315-L319 WeakPolarHBondContact O-CB 3.38Å; D315-L319 PolarHBondContact O-N 2.95Å; T316-L319 PolarHBondContact O-N 3.25Å; L319-V321 VanDerWaalsContact C-N 3.31Å; L319-V321 PolarHBondContact O-N 2.94Å; L319-E322 PolarHBondContact O-N 3.45Å; L319-Q323 WeakPolarHBondContact O-CB 3.5Å; L319-Q323 WeakPolarHBondContact O-CG 3.25Å; L319-Q323 PolarHBondContact O-N 2.97Å
320	D	85.5	Confident	81.5	Confident	64 Å²	64	65.6 Å²	65.6	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.3	-79	-17.4	0	0	0	111.2	T316 E317 Q318 N324	T316-D320 WeakPolarHBondContact O-CB 3.36Å; T316-D320 VanDerWaalsContact O-CG 3.26Å; T316-D320 PolarHBondContact O-N 2.79Å; E317-D320 PolarHBondContact O-N 3.01Å; Q318-D320 VanDerWaalsContact C-N 3.33Å; Q318-D320 PolarHBondContact O-N 3.45Å; D320-N324 WeakPolarHBondContact O-CA 3.37Å; D320-N324 WeakPolarHBondContact O-CB 3.49Å; D320-N324 PolarHBondContact O-N 3.11Å; D320-N324 PolarHBondContact O-ND2 3.05Å
321	V	86.1	Confident	81.5	Confident	6 Å²	6	65 Å²	65	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-46	176.7	171.4	0	0	0	0	110.6	W309 E317 Q318 L319 Q323 V325 L326	W309-V321 VanDerWaalsContact N-CG2 3.33Å; E317-V321 WeakPolarHBondContact O-CG2 3.05Å; E317-V321 PolarHBondContact O-N 2.93Å; Q318-V321 WeakPolarHBondContact O-CB 3.34Å; Q318-V321 PolarHBondContact O-N 2.95Å; Q318-V321 VanDerWaalsContact O-N 3.16Å; L319-V321 VanDerWaalsContact C-N 3.31Å; L319-V321 PolarHBondContact O-N 2.94Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.28Å; V321-V325 HydrophobicContact CG1-CB 4.23Å; V321-V325 HydrophobicContact CG1-CG2 4.48Å; V321-V325 WeakPolarHBondContact O-CA 3.45Å; V321-V325 VanDerWaalsContact O-CB 3.28Å; V321-V325 WeakPolarHBondContact O-CB 3.47Å; V321-V325 PolarHBondContact O-N 3.02Å; V321-L326 HydrophobicContact CG1-CD1 4.14Å; V321-L326 HydrophobicContact CG1-CG 4.17Å; V321-L326 PolarHBondContact O-N 3.33Å
322	E	84.5	Confident	81.9	Confident	96 Å²	96	66.6 Å²	66.6	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-44.7	176.3	-72.8	178.3	177.3	0	0	111.9	L310 Q318 L319 L326 S327	L310-E322 HydrophobicContact CD1-CG 3.98Å; Q318-E322 WeakPolarHBondContact O-CG 3.09Å; Q318-E322 PolarHBondContact O-N 3.09Å; L319-E322 PolarHBondContact O-N 3.45Å; E322-L326 CarbonylContact O-C 3.58Å; E322-S327 PolarHBondContact O-N 2.82Å
323	Q	85	Confident	82.4	Confident	104 Å²	104	66.9 Å²	66.9	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-81.2	-33.9	-176.4	-68.4	-179.4	4.4	0	0	114.1	L319 V321 S327 K330	L319-Q323 WeakPolarHBondContact O-CB 3.5Å; L319-Q323 WeakPolarHBondContact O-CG 3.25Å; L319-Q323 PolarHBondContact O-N 2.97Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.28Å; Q323-S327 PolarHBondContact O-OG 3.38Å; Q323-K330 PolarHBondContact O-NZ 3.19Å
324	N	83.8	Confident	83.4	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	34%	0.337	S	S	.	.	H	α-helix	trans	-103.9	-19.7	-171.3	-60.5	-54.6	0	0	0	114.4	D320 K330	D320-N324 WeakPolarHBondContact O-CA 3.37Å; D320-N324 WeakPolarHBondContact O-CB 3.49Å; D320-N324 PolarHBondContact O-N 3.11Å; D320-N324 PolarHBondContact O-ND2 3.05Å; N324-K330 WeakPolarHBondContact O-CD 3.22Å; N324-K330 PolarHBondContact OD1-NZ 2.93Å
325	V	83.7	Confident	84	Confident	15 Å²	15	64.1 Å²	64.1	9%	0.091	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-46.8	-177.5	-174.1	0	0	0	0	111.3	N307 V321 F331 L336	N307-V325 HydrophobicContact CB-CG2 3.6Å; V321-V325 HydrophobicContact CG1-CB 4.23Å; V321-V325 HydrophobicContact CG1-CG2 4.48Å; V321-V325 WeakPolarHBondContact O-CA 3.45Å; V321-V325 VanDerWaalsContact O-CB 3.28Å; V321-V325 WeakPolarHBondContact O-CB 3.47Å; V321-V325 PolarHBondContact O-N 3.02Å; V325-F331 VanDerWaalsContact O-CA 3.31Å; V325-F331 WeakPolarHBondContact O-CA 3.19Å; V325-L336 HydrophobicContact CG1-CD2 3.81Å
326	L	83.4	Confident	84.4	Confident	84 Å²	84	60.9 Å²	60.9	44%	0.44	33%	0.326	S	S	.	.	S	Bend	trans	-95.5	-4.5	-172.1	-55.5	178.5	0	0	0	114.4	V321 E322 F331	V321-L326 HydrophobicContact CG1-CD1 4.14Å; V321-L326 HydrophobicContact CG1-CG 4.17Å; V321-L326 PolarHBondContact O-N 3.33Å; E322-L326 CarbonylContact O-C 3.58Å; L326-F331 HydrophobicContact CD2-CD2 4.27Å; L326-F331 HydrophobicContact CD2-CE2 4.37Å
327	S	81.2	Confident	84.8	Confident	37 Å²	37	57 Å²	57	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-67.5	136.7	173.4	58.6	0	0	0	0	109.8	E322 Q323 E329 K330 F331	E322-S327 PolarHBondContact O-N 2.82Å; Q323-S327 PolarHBondContact O-OG 3.38Å; S327-E329 PolarHBondContact O-N 2.87Å; S327-K330 PolarHBondContact O-N 3.21Å; S327-F331 PolarHBondContact O-N 3.33Å
328	S	74.1	Confident	85.3	Confident	57 Å²	57	55 Å²	55	40%	0.399	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	-172.1	61.6	0	0	0	0	114.6	K495	S328-K495 WeakPolarHBondContact CA-O 3.22Å; S328-K495 WeakPolarHBondContact CB-O 3.18Å
329	E	78.5	Confident	85.8	Confident	151 Å²	151	54.4 Å²	54.4	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.1	175	-60.3	-174.7	167	0	0	113.4	S327 R494	S327-E329 PolarHBondContact O-N 2.87Å; E329-R494 IonicContact OE1-CZ 3.82Å; E329-R494 IonicContact OE1-NH1 2.79Å; E329-R494 PolarHBondContact OE1-NH1 2.87Å
330	K	80.1	Confident	86	Confident	114 Å²	114	52.2 Å²	52.2	50%	0.496	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-20.6	-175.7	-65.1	-177.5	-175.5	163.3	0	113.5	Q323 N324 S327 S332	Q323-K330 PolarHBondContact O-NZ 3.19Å; N324-K330 WeakPolarHBondContact O-CD 3.22Å; N324-K330 PolarHBondContact OD1-NZ 2.93Å; S327-K330 PolarHBondContact O-N 3.21Å; K330-S332 PolarHBondContact O-N 2.94Å
331	F	83.8	Confident	86.3	Confident	40 Å²	40	49.3 Å²	49.3	18%	0.175	27%	0.268	C	S	.	.			trans	-63.5	126.8	-175.7	-179	-101.1	0	0	0	111.2	V325 L326 S327 L333 L336 I488 K495	V325-F331 VanDerWaalsContact O-CA 3.31Å; V325-F331 WeakPolarHBondContact O-CA 3.19Å; L326-F331 HydrophobicContact CD2-CD2 4.27Å; L326-F331 HydrophobicContact CD2-CE2 4.37Å; S327-F331 PolarHBondContact O-N 3.33Å; F331-L333 HydrophobicContact CE1-CB 4.35Å; F331-L333 HydrophobicContact CZ-CB 4.43Å; F331-L333 HydrophobicContact CZ-CD1 4.25Å; F331-L336 HydrophobicContact CD2-CD1 4.11Å; F331-L336 HydrophobicContact CE2-CD1 3.39Å; F331-L336 HydrophobicContact CZ-CD1 4.06Å; F331-I488 HydrophobicContact CE1-CD1 3.81Å; F331-I488 HydrophobicContact CE1-CG1 4.25Å; F331-I488 HydrophobicContact CE1-CG2 4.43Å; F331-I488 HydrophobicContact CZ-CD1 4.11Å; F331-K495 HydrophobicContact CD1-CB 4.35Å
332	S	88	Confident	86.3	Confident	52 Å²	52	54.4 Å²	54.4	36%	0.364	29%	0.29	S	S	.	.			trans	-140.3	110.8	171.8	173.1	0	0	0	0	109.2	K330 T334 A335 L336	K330-S332 PolarHBondContact O-N 2.94Å; S332-T334 PolarHBondContact O-N 3.14Å; S332-A335 PolarHBondContact O-N 3.45Å; S332-A335 VanDerWaalsContact O-N 3.11Å; S332-A335 PolarHBondContact OG-N 3.29Å; S332-L336 PolarHBondContact O-N 3.36Å; S332-L336 VanDerWaalsContact O-N 3.09Å
333	L	89.3	Confident	85.9	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-37.8	174.6	-170	65.9	0	0	0	111.4	F331 L336 L337 W349 I448 I449 I488	F331-L333 HydrophobicContact CE1-CB 4.35Å; F331-L333 HydrophobicContact CZ-CB 4.43Å; F331-L333 HydrophobicContact CZ-CD1 4.25Å; L333-L336 PolarHBondContact O-N 3.27Å; L333-L337 HydrophobicContact CG-CD1 4.42Å; L333-L337 WeakPolarHBondContact O-CG 3.49Å; L333-L337 PolarHBondContact O-N 2.99Å; L333-L337 VanDerWaalsContact O-N 3.08Å; L333-W349 HydrophobicContact CD1-CH2 3.3Å; L333-W349 HydrophobicContact CD1-CZ2 4.43Å; L333-W349 HydrophobicContact CD1-CZ3 3.32Å; L333-W349 HydrophobicContact CD2-CZ3 4.04Å; L333-W349 HydrophobicContact CG-CH2 4.21Å; L333-W349 HydrophobicContact CG-CZ3 3.71Å; L333-I448 HydrophobicContact CD2-CD1 3.99Å; L333-I448 HydrophobicContact CD2-CG1 3.91Å; L333-I448 HydrophobicContact CD2-CG2 4.07Å; L333-I449 HydrophobicContact CD2-CG1 4.35Å; L333-I488 HydrophobicContact CB-CD1 4.43Å; L333-I488 HydrophobicContact CD1-CD1 4.17Å; L333-I488 HydrophobicContact CD2-CD1 4Å; L333-I488 HydrophobicContact CG-CD1 4.45Å
334	T	92.5	Very high	85.6	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-46.4	178.3	-57.3	0	0	0	0	110.9	S332 L336 L337 L338 D450 V453 L454	S332-T334 PolarHBondContact O-N 3.14Å; T334-L336 VanDerWaalsContact C-N 3.28Å; T334-L336 PolarHBondContact O-N 3.21Å; T334-L337 PolarHBondContact O-N 3.17Å; T334-L337 VanDerWaalsContact O-N 3.16Å; T334-L338 WeakPolarHBondContact O-CG 3.38Å; T334-L338 PolarHBondContact O-N 3.12Å; T334-L338 VanDerWaalsContact O-N 3.15Å; T334-D450 HydrophobicContact CG2-CB 4.34Å; T334-D450 PolarHBondContact OG1-N 2.96Å; T334-V453 HydrophobicContact CG2-CB 4.29Å; T334-V453 HydrophobicContact CG2-CG1 4.06Å; T334-L454 HydrophobicContact CG2-CB 3.86Å; T334-L454 HydrophobicContact CG2-CD1 4.37Å; T334-L454 HydrophobicContact CG2-CG 4.48Å
335	A	91.2	Very high	85.7	Confident	57 Å²	57	51.9 Å²	51.9	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-34.2	177.5	0	0	0	0	0	112.6	S332 L337 P339	S332-A335 PolarHBondContact O-N 3.45Å; S332-A335 VanDerWaalsContact O-N 3.11Å; S332-A335 PolarHBondContact OG-N 3.29Å; A335-L337 VanDerWaalsContact C-N 3.35Å; A335-P339 VanDerWaalsContact O-CD 3.28Å; A335-P339 WeakPolarHBondContact O-CD 3.31Å
336	L	90.2	Very high	85.9	Confident	48 Å²	48	51.8 Å²	51.8	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-69.8	-29.8	175.8	-71.5	175.5	0	0	0	113.3	F306 V325 F331 S332 L333 T334	F306-L336 WeakPolarHBondContact CE1-O 3.48Å; V325-L336 HydrophobicContact CG1-CD2 3.81Å; F331-L336 HydrophobicContact CD2-CD1 4.11Å; F331-L336 HydrophobicContact CE2-CD1 3.39Å; F331-L336 HydrophobicContact CZ-CD1 4.06Å; S332-L336 PolarHBondContact O-N 3.36Å; S332-L336 VanDerWaalsContact O-N 3.09Å; L333-L336 PolarHBondContact O-N 3.27Å; T334-L336 VanDerWaalsContact C-N 3.28Å; T334-L336 PolarHBondContact O-N 3.21Å
337	L	92.2	Very high	86.3	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-81.6	-32.5	-179.7	-72.8	174.3	0	0	0	114.1	L333 T334 A335 S340 L341 T347 W349 F350 I449	L333-L337 HydrophobicContact CG-CD1 4.42Å; L333-L337 WeakPolarHBondContact O-CG 3.49Å; L333-L337 PolarHBondContact O-N 2.99Å; L333-L337 VanDerWaalsContact O-N 3.08Å; T334-L337 PolarHBondContact O-N 3.17Å; T334-L337 VanDerWaalsContact O-N 3.16Å; A335-L337 VanDerWaalsContact C-N 3.35Å; L337-S340 PolarHBondContact O-N 3.48Å; L337-S340 VanDerWaalsContact O-N 3.13Å; L337-L341 HydrophobicContact CB-CD1 4.15Å; L337-L341 PolarHBondContact O-N 2.93Å; L337-L341 VanDerWaalsContact O-N 3.08Å; L337-T347 HydrophobicContact CB-CG2 4.39Å; L337-T347 HydrophobicContact CD2-CG2 3.52Å; L337-T347 HydrophobicContact CG-CG2 4.49Å; L337-W349 HydrophobicContact CD1-CE3 3.64Å; L337-W349 HydrophobicContact CD1-CZ3 3.56Å; L337-W349 HydrophobicContact CD2-CD2 4.16Å; L337-W349 HydrophobicContact CD2-CE3 3.22Å; L337-W349 HydrophobicContact CD2-CH2 3.83Å; L337-W349 HydrophobicContact CD2-CZ3 3.03Å; L337-W349 HydrophobicContact CG-CE3 3.81Å; L337-W349 HydrophobicContact CG-CH2 4.36Å; L337-W349 HydrophobicContact CG-CZ3 3.38Å; L337-F350 HydrophobicContact CD1-CE1 3.76Å; L337-F350 HydrophobicContact CD1-CZ 4.01Å; L337-I449 HydrophobicContact CD1-CD1 4.24Å; L337-I449 HydrophobicContact CD1-CG1 4.46Å
338	L	92.8	Very high	86.5	Confident	20 Å²	20	49 Å²	49	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-50.6	-49.1	-174.2	-79.3	175.1	0	0	0	113.1	T334 S340 L341 F342 L454 N457 V458	T334-L338 WeakPolarHBondContact O-CG 3.38Å; T334-L338 PolarHBondContact O-N 3.12Å; T334-L338 VanDerWaalsContact O-N 3.15Å; L338-S340 VanDerWaalsContact C-N 3.31Å; L338-S340 PolarHBondContact O-N 3.09Å; L338-L341 PolarHBondContact O-N 3.43Å; L338-F342 HydrophobicContact CB-CD2 4.13Å; L338-F342 HydrophobicContact CB-CE2 4.08Å; L338-F342 HydrophobicContact CD2-CD2 4.5Å; L338-F342 HydrophobicContact CD2-CE2 3.97Å; L338-F342 HydrophobicContact CG-CE2 4.47Å; L338-F342 WeakPolarHBondContact O-CB 3.21Å; L338-F342 WeakPolarHBondContact O-CD2 3.07Å; L338-F342 PolarHBondContact O-N 3.46Å; L338-L454 HydrophobicContact CD2-CG 4.39Å; L338-N457 HydrophobicContact CD1-CB 4.02Å; L338-N457 HydrophobicContact CD2-CB 3.54Å; L338-N457 HydrophobicContact CG-CB 4.44Å; L338-V458 HydrophobicContact CD2-CG2 3.98Å
339	P	91.3	Very high	87.2	Confident	17 Å²	17	48.5 Å²	48.5	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-40.3	-179.3	-23.6	31.9	0	0	0	113.9	L305 F306 A335 Q343	L305-P339 HydrophobicContact CB-CB 3.95Å; L305-P339 HydrophobicContact CB-CG 4.4Å; L305-P339 HydrophobicContact CD2-CB 4.24Å; L305-P339 WeakPolarHBondContact O-CG 3.47Å; F306-P339 HydrophobicContact CD1-CB 4.4Å; F306-P339 HydrophobicContact CD1-CG 4.14Å; F306-P339 HydrophobicContact CE1-CB 3.81Å; F306-P339 HydrophobicContact CE1-CG 3.95Å; F306-P339 HydrophobicContact CZ-CB 3.96Å; A335-P339 VanDerWaalsContact O-CD 3.28Å; A335-P339 WeakPolarHBondContact O-CD 3.31Å; P339-Q343 WeakPolarHBondContact O-CB 3.33Å; P339-Q343 VanDerWaalsContact O-CG 3.25Å; P339-Q343 WeakPolarHBondContact O-CG 3.47Å; P339-Q343 PolarHBondContact O-N 3.03Å; P339-Q343 VanDerWaalsContact O-N 3.15Å
340	S	89.5	Confident	87.8	Confident	36 Å²	36	41.6 Å²	41.6	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-70.6	-42.1	178.7	-66.1	0	0	0	0	112.2	L337 L338 Q343 S344 G346	L337-S340 PolarHBondContact O-N 3.48Å; L337-S340 VanDerWaalsContact O-N 3.13Å; L338-S340 VanDerWaalsContact C-N 3.31Å; L338-S340 PolarHBondContact O-N 3.09Å; S340-Q343 PolarHBondContact O-N 2.87Å; S340-S344 PolarHBondContact O-N 3.26Å; S340-S344 PolarHBondContact O-OG 3.01Å; S340-G346 CarbonylContact C-O 3.58Å
341	L	90.8	Very high	88.4	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.9	-72.5	168.5	0	0	0	111.6	L337 L338 Q343 G345 T347 F350 L352 L454 V458	L337-L341 HydrophobicContact CB-CD1 4.15Å; L337-L341 PolarHBondContact O-N 2.93Å; L337-L341 VanDerWaalsContact O-N 3.08Å; L338-L341 PolarHBondContact O-N 3.43Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-Q343 PolarHBondContact O-N 2.93Å; L341-G345 VanDerWaalsContact O-CA 3.22Å; L341-G345 WeakPolarHBondContact O-CA 3.48Å; L341-G345 PolarHBondContact O-N 2.98Å; L341-T347 HydrophobicContact CD1-CG2 4.27Å; L341-T347 HydrophobicContact CD2-CG2 3.66Å; L341-T347 HydrophobicContact CG-CG2 3.57Å; L341-F350 HydrophobicContact CD1-CE2 4.09Å; L341-F350 HydrophobicContact CD1-CZ 4.08Å; L341-F350 HydrophobicContact CD2-CE2 3.98Å; L341-L352 HydrophobicContact CD2-CD1 4.18Å; L341-L352 HydrophobicContact CD2-CG 4.15Å; L341-L454 HydrophobicContact CD1-CD1 3.71Å; L341-L454 HydrophobicContact CD1-CD2 3.94Å; L341-L454 HydrophobicContact CD1-CG 3.94Å; L341-V458 HydrophobicContact CB-CG2 3.97Å; L341-V458 HydrophobicContact CD1-CG2 4.3Å
342	F	85.7	Confident	88.8	Confident	112 Å²	112	36.4 Å²	36.4	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-35.4	176	-82.9	-62.3	0	0	0	113.2	L338 N457	L338-F342 HydrophobicContact CB-CD2 4.13Å; L338-F342 HydrophobicContact CB-CE2 4.08Å; L338-F342 HydrophobicContact CD2-CD2 4.5Å; L338-F342 HydrophobicContact CD2-CE2 3.97Å; L338-F342 HydrophobicContact CG-CE2 4.47Å; L338-F342 WeakPolarHBondContact O-CB 3.21Å; L338-F342 WeakPolarHBondContact O-CD2 3.07Å; L338-F342 PolarHBondContact O-N 3.46Å; F342-N457 WeakPolarHBondContact CE1-O 3.49Å; F342-N457 HydrophobicContact CE2-CB 4.03Å; F342-N457 HydrophobicContact CZ-CB 3.71Å; F342-N457 WeakPolarHBondContact CZ-O 3.42Å
343	Q	76.6	Confident	88.8	Confident	107 Å²	107	39.3 Å²	39.3	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-82.8	-36	-175.9	-76.4	179.6	12.1	0	0	114	P339 S340 L341	P339-Q343 WeakPolarHBondContact O-CB 3.33Å; P339-Q343 VanDerWaalsContact O-CG 3.25Å; P339-Q343 WeakPolarHBondContact O-CG 3.47Å; P339-Q343 PolarHBondContact O-N 3.03Å; P339-Q343 VanDerWaalsContact O-N 3.15Å; S340-Q343 PolarHBondContact O-N 2.87Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-Q343 PolarHBondContact O-N 2.93Å
344	S	79.5	Confident	88.6	Confident	87 Å²	87	42.7 Å²	42.7	61%	0.608	25%	0.247	S	C	*	.	H	α-helix	trans	-131	-5.1	-167.3	67.7	0	0	0	0	114.3	S340 G346	S340-S344 PolarHBondContact O-N 3.26Å; S340-S344 PolarHBondContact O-OG 3.01Å; S344-G346 PolarHBondContact O-N 3.01Å; S344-G346 PolarHBondContact OG-N 2.96Å; S344-G346 PolarHBondContact OG-O 3.06Å
345	G	84.6	Confident	88.2	Confident	28 Å²	28	44.6 Å²	44.6	29%	0.289	26%	0.259	S	S	.	.	S	Bend	trans	68	3.9	-168.7	0	0	0	0	0	113.3	L341 S351 L352	L341-G345 VanDerWaalsContact O-CA 3.22Å; L341-G345 WeakPolarHBondContact O-CA 3.48Å; L341-G345 PolarHBondContact O-N 2.98Å; G345-S351 CarbonylContact O-C 3.6Å; G345-S351 WeakPolarHBondContact O-CA 3.08Å; G345-S351 WeakPolarHBondContact O-CB 3.42Å; G345-L352 PolarHBondContact O-N 3.32Å
346	G	89.4	Confident	87.4	Confident	13 Å²	13	49.8 Å²	49.8	13%	0.134	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-142	159.5	-171.3	0	0	0	0	0	114.7	S340 S344	S340-G346 CarbonylContact C-O 3.58Å; S344-G346 PolarHBondContact O-N 3.01Å; S344-G346 PolarHBondContact OG-N 2.96Å; S344-G346 PolarHBondContact OG-O 3.06Å
347	T	90.6	Very high	86.3	Confident	14 Å²	14	48.4 Å²	48.4	9%	0.086	27%	0.267	C	S	.	.			trans	-133.6	175.7	171.4	72.3	0	0	0	0	108.3	L337 L341 W349 F350 G371 S372	L337-T347 HydrophobicContact CB-CG2 4.39Å; L337-T347 HydrophobicContact CD2-CG2 3.52Å; L337-T347 HydrophobicContact CG-CG2 4.49Å; L341-T347 HydrophobicContact CD1-CG2 4.27Å; L341-T347 HydrophobicContact CD2-CG2 3.66Å; L341-T347 HydrophobicContact CG-CG2 3.57Å; T347-W349 PolarHBondContact O-N 2.97Å; T347-W349 PolarHBondContact OG1-N 2.98Å; T347-W349 VanDerWaalsContact OG1-N 3.1Å; T347-F350 PolarHBondContact N-O 2.67Å; T347-F350 PolarHBondContact OG1-N 2.9Å; T347-F350 PolarHBondContact OG1-O 2.61Å; T347-G371 CarbonylContact O-C 3.6Å; T347-G371 WeakPolarHBondContact O-CA 3.38Å; T347-S372 PolarHBondContact O-N 3.33Å
348	A	85.2	Confident	84.7	Confident	49 Å²	49	55 Å²	55	41%	0.405	30%	0.3	S	S	.	.	S	Bend	trans	-68.3	-14.9	170.9	0	0	0	0	0	113.2	L373	A348-L373 HydrophobicContact CB-CD2 4.39Å; A348-L373 WeakPolarHBondContact O-CD2 3.43Å
349	W	89.3	Confident	83.1	Confident	47 Å²	47	59.3 Å²	59.3	18%	0.178	33%	0.328	C	S	.	.	S	Bend	trans	-99.7	-47.4	-175.5	-52.5	-34.1	0	0	0	111.9	L333 L337 T347 G371 T480 L484	L333-W349 HydrophobicContact CD1-CH2 3.3Å; L333-W349 HydrophobicContact CD1-CZ2 4.43Å; L333-W349 HydrophobicContact CD1-CZ3 3.32Å; L333-W349 HydrophobicContact CD2-CZ3 4.04Å; L333-W349 HydrophobicContact CG-CH2 4.21Å; L333-W349 HydrophobicContact CG-CZ3 3.71Å; L337-W349 HydrophobicContact CD1-CE3 3.64Å; L337-W349 HydrophobicContact CD1-CZ3 3.56Å; L337-W349 HydrophobicContact CD2-CD2 4.16Å; L337-W349 HydrophobicContact CD2-CE3 3.22Å; L337-W349 HydrophobicContact CD2-CH2 3.83Å; L337-W349 HydrophobicContact CD2-CZ3 3.03Å; L337-W349 HydrophobicContact CG-CE3 3.81Å; L337-W349 HydrophobicContact CG-CH2 4.36Å; L337-W349 HydrophobicContact CG-CZ3 3.38Å; T347-W349 PolarHBondContact O-N 2.97Å; T347-W349 PolarHBondContact OG1-N 2.98Å; T347-W349 VanDerWaalsContact OG1-N 3.1Å; W349-G371 PolarHBondContact O-N 2.95Å; W349-T480 HydrophobicContact CB-CG2 4.01Å; W349-L484 HydrophobicContact CB-CD1 4.14Å; W349-L484 HydrophobicContact CD2-CD1 3.78Å; W349-L484 HydrophobicContact CD2-CD2 3.7Å; W349-L484 HydrophobicContact CD2-CG 4.38Å; W349-L484 HydrophobicContact CE3-CD1 3.83Å; W349-L484 HydrophobicContact CE3-CD2 4.15Å; W349-L484 HydrophobicContact CG-CD1 3.87Å; W349-L484 HydrophobicContact CG-CD2 4.08Å; W349-L484 HydrophobicContact CG-CG 4.48Å; W349-L484 HydrophobicContact CH2-CD2 4.43Å; W349-L484 HydrophobicContact CZ2-CD2 3.94Å; W349-L484 HydrophobicContact CZ3-CD2 4.47Å
350	F	92.2	Very high	81.4	Confident	5 Å²	5	63 Å²	63	2%	0.022	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.5	176.6	63.8	-84.7	0	0	0	111.4	L337 L341 T347 L352 I368 H369 I449 W451 L454	L337-F350 HydrophobicContact CD1-CE1 3.76Å; L337-F350 HydrophobicContact CD1-CZ 4.01Å; L341-F350 HydrophobicContact CD1-CE2 4.09Å; L341-F350 HydrophobicContact CD1-CZ 4.08Å; L341-F350 HydrophobicContact CD2-CE2 3.98Å; T347-F350 PolarHBondContact N-O 2.67Å; T347-F350 PolarHBondContact OG1-N 2.9Å; T347-F350 PolarHBondContact OG1-O 2.61Å; F350-L352 HydrophobicContact CD2-CD2 3.9Å; F350-L352 HydrophobicContact CD2-CG 4.06Å; F350-L352 HydrophobicContact CE2-CD1 4.2Å; F350-L352 HydrophobicContact CE2-CD2 3.98Å; F350-L352 HydrophobicContact CE2-CG 3.93Å; F350-I368 HydrophobicContact CB-CG2 4.08Å; F350-I368 HydrophobicContact CD2-CG2 4.29Å; F350-I368 HydrophobicContact CG-CG2 4.46Å; F350-H369 CarbonylContact C-O 3.45Å; F350-H369 WeakPolarHBondContact CA-O 2.96Å; F350-H369 WeakPolarHBondContact CB-O 3.03Å; F350-I449 HydrophobicContact CD1-CD1 4.33Å; F350-I449 HydrophobicContact CE1-CD1 3.49Å; F350-I449 VanDerWaalsContact CE1-CD1 3.49Å; F350-I449 HydrophobicContact CZ-CD1 4.04Å; F350-W451 HydrophobicContact CE2-CH2 4.38Å; F350-W451 HydrophobicContact CE2-CZ3 4.4Å; F350-W451 HydrophobicContact CZ-CH2 4.38Å; F350-L454 HydrophobicContact CE2-CD1 4.45Å; F350-L454 HydrophobicContact CZ-CD1 3.84Å
351	S	92.3	Very high	79.8	Confident	30 Å²	30	68.7 Å²	68.7	21%	0.21	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.5	167.4	55.7	0	0	0	0	110.8	G345 I368 H369	G345-S351 CarbonylContact O-C 3.6Å; G345-S351 WeakPolarHBondContact O-CA 3.08Å; G345-S351 WeakPolarHBondContact O-CB 3.42Å; S351-I368 WeakPolarHBondContact O-CA 3.18Å; S351-H369 PolarHBondContact N-O 3.23Å; S351-H369 PolarHBondContact O-N 3.33Å; S351-H369 WeakPolarHBondContact OG-CB 3.47Å
352	L	91.4	Very high	78.6	Confident	15 Å²	15	71.8 Å²	71.8	8%	0.079	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.4	178.7	-60.9	-179.9	0	0	0	108.7	L341 G345 F350 I366 E367 I368 L454 V458 F459	L341-L352 HydrophobicContact CD2-CD1 4.18Å; L341-L352 HydrophobicContact CD2-CG 4.15Å; G345-L352 PolarHBondContact O-N 3.32Å; F350-L352 HydrophobicContact CD2-CD2 3.9Å; F350-L352 HydrophobicContact CD2-CG 4.06Å; F350-L352 HydrophobicContact CE2-CD1 4.2Å; F350-L352 HydrophobicContact CE2-CD2 3.98Å; F350-L352 HydrophobicContact CE2-CG 3.93Å; L352-I366 HydrophobicContact CD2-CG2 4.11Å; L352-E367 WeakPolarHBondContact CA-O 3.46Å; L352-I368 HydrophobicContact CD2-CB 4.35Å; L352-I368 HydrophobicContact CD2-CD1 4.27Å; L352-I368 HydrophobicContact CD2-CG1 3.73Å; L352-I368 HydrophobicContact CD2-CG2 4.27Å; L352-L454 HydrophobicContact CD1-CD2 3.65Å; L352-V458 HydrophobicContact CD1-CG1 4.44Å; L352-F459 HydrophobicContact CB-CZ 4.31Å; L352-F459 HydrophobicContact CD1-CE2 4.24Å; L352-F459 HydrophobicContact CD1-CZ 4.41Å
353	K	88.2	Confident	77.8	Confident	114 Å²	114	71 Å²	71	50%	0.496	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.2	176.3	-175.7	-177.6	167.4	-151.7	0	109.3	V355 E367	K353-V355 HydrophobicContact CD-CG2 4.15Å; K353-V355 HydrophobicContact CG-CG2 4.06Å; K353-E367 HydrophobicContact CB-CB 4.37Å; K353-E367 PolarHBondContact N-O 3.28Å; K353-E367 IonicContact NZ-OE2 3.52Å; K353-E367 PolarHBondContact O-N 2.5Å
354	L	86.1	Confident	77.9	Confident	82 Å²	82	67.1 Å²	67.1	43%	0.429	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.8	172.3	-164.9	68.8	0	0	0	108.6	P364 I366 F459 W467	L354-P364 HydrophobicContact CD1-CB 3.7Å; L354-P364 HydrophobicContact CD1-CG 4.22Å; L354-P364 HydrophobicContact CD2-CB 4.41Å; L354-P364 HydrophobicContact CG-CB 4.01Å; L354-I366 HydrophobicContact CD1-CG1 3.82Å; L354-F459 HydrophobicContact CB-CE1 4.26Å; L354-F459 HydrophobicContact CD1-CE1 4.25Å; L354-W467 HydrophobicContact CD1-CE3 3.89Å; L354-W467 HydrophobicContact CD1-CH2 4.1Å; L354-W467 HydrophobicContact CD1-CZ3 3.41Å; L354-W467 VanDerWaalsContact CD1-CZ3 3.41Å
355	V	83.7	Confident	78.2	Confident	43 Å²	43	63.6 Å²	63.6	26%	0.261	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.5	176.8	178.2	0	0	0	0	108.5	K353 D357 P364 I365 E367	K353-V355 HydrophobicContact CD-CG2 4.15Å; K353-V355 HydrophobicContact CG-CG2 4.06Å; V355-D357 PolarHBondContact O-N 2.86Å; V355-P364 WeakPolarHBondContact O-CA 3.11Å; V355-I365 PolarHBondContact N-O 3.46Å; V355-I365 PolarHBondContact O-N 2.85Å; V355-E367 HydrophobicContact CB-CG 4.29Å; V355-E367 HydrophobicContact CG2-CG 3.73Å
356	E	75.2	Confident	78.4	Confident	167 Å²	167	62.3 Å²	62.3	78%	0.78	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	114.2	173	-66.5	179.8	177.3	0	0	108.6	I358	E356-I358 PolarHBondContact O-N 3.25Å; E356-I358 VanDerWaalsContact O-N 3.12Å
357	D	65.3	Low	78.4	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.102	35%	0.348	C	S	.	.			trans	-77.6	100.2	174.1	-170	-3.1	0	0	0	109.4	V355 T359 I365 R436	V355-D357 PolarHBondContact O-N 2.86Å; D357-T359 PolarHBondContact O-N 2.93Å; D357-T359 WeakPolarHBondContact OD1-CA 3.2Å; D357-T359 VanDerWaalsContact OD1-CB 3.32Å; D357-T359 WeakPolarHBondContact OD1-CB 3.45Å; D357-T359 PolarHBondContact OD1-N 2.92Å; D357-T359 PolarHBondContact OD1-OG1 3.04Å; D357-T359 PolarHBondContact OD2-OG1 3.12Å; D357-I365 HydrophobicContact CB-CD1 3.53Å; D357-I365 HydrophobicContact CB-CG1 3.74Å; D357-I365 WeakPolarHBondContact OD2-CD1 3.37Å; D357-R436 IonicContact OD2-CZ 2.77Å; D357-R436 IonicContact OD2-NH2 2.63Å; D357-R436 PolarHBondContact OD2-NH2 3.03Å
358	I	60	Low	78.5	Confident	146 Å²	146	63 Å²	63	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.7	177.2	-30.7	177.2	0	0	0	111.1	E356	E356-I358 PolarHBondContact O-N 3.25Å; E356-I358 VanDerWaalsContact O-N 3.12Å
359	T	57.8	Low	78.8	Confident	111 Å²	111	63 Å²	63	68%	0.681	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-20.2	-172	72.9	0	0	0	0	114.8	D357	D357-T359 PolarHBondContact O-N 2.93Å; D357-T359 WeakPolarHBondContact OD1-CA 3.2Å; D357-T359 VanDerWaalsContact OD1-CB 3.32Å; D357-T359 WeakPolarHBondContact OD1-CB 3.45Å; D357-T359 PolarHBondContact OD1-N 2.92Å; D357-T359 PolarHBondContact OD1-OG1 3.04Å; D357-T359 PolarHBondContact OD2-OG1 3.12Å
360	Q	55.7	Low	78.8	Confident	95 Å²	95	62.4 Å²	62.4	44%	0.444	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	111.7	-177.4	-66.3	-170	5.2	0	0	112.9	G362	Q360-G362 PolarHBondContact O-N 3.15Å
361	N	56.8	Low	78.6	Confident	155 Å²	155	62.2 Å²	62.2	83%	0.829	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	4.4	166.5	-75.5	-1.2	0	0	0	118.9	F363	N361-F363 HydrophobicContact CB-CD2 3.75Å; N361-F363 HydrophobicContact CB-CE2 4.02Å; N361-F363 PolarHBondContact O-N 3.42Å
362	G	64.5	Low	78.3	Confident	68 Å²	68	64.2 Å²	64.2	70%	0.701	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	13.7	179.4	0	0	0	0	0	114.1	Q360	Q360-G362 PolarHBondContact O-N 3.15Å
363	F	69.8	Low	77.9	Confident	96 Å²	96	63.9 Å²	63.9	42%	0.421	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-80.6	135.5	170.1	-69.7	-75.6	0	0	0	109.1	N361	N361-F363 HydrophobicContact CB-CD2 3.75Å; N361-F363 HydrophobicContact CB-CE2 4.02Å; N361-F363 PolarHBondContact O-N 3.42Å
364	P	79.2	Confident	77.4	Confident	25 Å²	25	61.3 Å²	61.3	16%	0.162	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147.4	176.8	32.3	-35.7	0	0	0	110.5	L354 V355 W467	L354-P364 HydrophobicContact CD1-CB 3.7Å; L354-P364 HydrophobicContact CD1-CG 4.22Å; L354-P364 HydrophobicContact CD2-CB 4.41Å; L354-P364 HydrophobicContact CG-CB 4.01Å; V355-P364 WeakPolarHBondContact O-CA 3.11Å; P364-W467 HydrophobicContact CG-CD2 3.74Å; P364-W467 VanDerWaalsContact CG-CE2 3.48Å; P364-W467 HydrophobicContact CG-CE3 4.06Å; P364-W467 HydrophobicContact CG-CG 4.32Å; P364-W467 HydrophobicContact CG-CH2 3.96Å; P364-W467 HydrophobicContact CG-CZ2 3.6Å; P364-W467 HydrophobicContact CG-CZ3 4.19Å
365	I	84.9	Confident	76.6	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.072	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.1	172.7	-68.6	-177.5	0	0	0	108.8	V355 D357 E468 T470	V355-I365 PolarHBondContact N-O 3.46Å; V355-I365 PolarHBondContact O-N 2.85Å; D357-I365 HydrophobicContact CB-CD1 3.53Å; D357-I365 HydrophobicContact CB-CG1 3.74Å; D357-I365 WeakPolarHBondContact OD2-CD1 3.37Å; I365-E468 WeakPolarHBondContact CA-O 3.23Å; I365-E468 HydrophobicContact CG1-CB 4.27Å; I365-T470 HydrophobicContact CG2-CG2 3.82Å
366	I	88.9	Confident	75.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.5	169.1	-63.1	164.5	0	0	0	108.7	L352 L354 I368 L455 F459 W467 E468 F469 T470	L352-I366 HydrophobicContact CD2-CG2 4.11Å; L354-I366 HydrophobicContact CD1-CG1 3.82Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I366-L455 HydrophobicContact CD1-CD2 4.03Å; I366-F459 HydrophobicContact CD1-CD2 3.76Å; I366-F459 HydrophobicContact CD1-CE2 3.37Å; I366-F459 HydrophobicContact CD1-CZ 3.88Å; I366-F459 HydrophobicContact CG1-CE2 3.93Å; I366-F459 HydrophobicContact CG1-CZ 3.88Å; I366-F459 HydrophobicContact CG2-CE2 4.24Å; I366-F459 HydrophobicContact CG2-CZ 4.08Å; I366-W467 HydrophobicContact CD1-CE3 3.46Å; I366-W467 VanDerWaalsContact CD1-CE3 3.46Å; I366-W467 HydrophobicContact CD1-CZ3 3.95Å; I366-W467 HydrophobicContact CG1-CE3 3.72Å; I366-W467 HydrophobicContact CG1-CZ3 4.14Å; I366-E468 PolarHBondContact N-O 3.43Å; I366-F469 HydrophobicContact CB-CD1 3.8Å; I366-F469 HydrophobicContact CB-CE1 4.12Å; I366-F469 HydrophobicContact CD1-CD1 4.19Å; I366-F469 HydrophobicContact CD1-CE1 3.6Å; I366-F469 HydrophobicContact CD1-CZ 4.35Å; I366-F469 HydrophobicContact CG1-CE1 4.44Å; I366-F469 HydrophobicContact CG2-CD1 4.15Å; I366-F469 HydrophobicContact CG2-CE1 4.48Å; I366-F469 CarbonylContact O-C 3.49Å; I366-F469 VanDerWaalsContact O-CA 3.28Å; I366-F469 WeakPolarHBondContact O-CA 3.32Å; I366-T470 PolarHBondContact O-N 2.85Å
367	E	90.7	Very high	75.7	Confident	42 Å²	42	54 Å²	54	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.4	170	-46.8	-174.8	151.1	0	0	110.1	L352 K353 V355 H369 T470	L352-E367 WeakPolarHBondContact CA-O 3.46Å; K353-E367 HydrophobicContact CB-CB 4.37Å; K353-E367 PolarHBondContact N-O 3.28Å; K353-E367 IonicContact NZ-OE2 3.52Å; K353-E367 PolarHBondContact O-N 2.5Å; V355-E367 HydrophobicContact CB-CG 4.29Å; V355-E367 HydrophobicContact CG2-CG 3.73Å; E367-H369 VanDerWaalsContact CB-NE2 3.32Å; E367-H369 WeakPolarHBondContact CB-NE2 3Å; E367-H369 IonicContact OE2-CD2 2.93Å; E367-H369 IonicContact OE2-CE1 3.77Å; E367-H369 IonicContact OE2-NE2 3.43Å; E367-H369 PolarHBondContact OE2-NE2 3.11Å; E367-T470 CarbonylContact C-O 3.54Å; E367-T470 WeakPolarHBondContact CA-O 3.3Å; E367-T470 WeakPolarHBondContact CA-OG1 3.29Å; E367-T470 WeakPolarHBondContact CG-OG1 3.47Å
368	I	92.4	Very high	76	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.1	174.2	-50	-174.9	0	0	0	107.9	F350 S351 L352 I366 L442 W451 F469 T470 I471 E472	F350-I368 HydrophobicContact CB-CG2 4.08Å; F350-I368 HydrophobicContact CD2-CG2 4.29Å; F350-I368 HydrophobicContact CG-CG2 4.46Å; S351-I368 WeakPolarHBondContact O-CA 3.18Å; L352-I368 HydrophobicContact CD2-CB 4.35Å; L352-I368 HydrophobicContact CD2-CD1 4.27Å; L352-I368 HydrophobicContact CD2-CG1 3.73Å; L352-I368 HydrophobicContact CD2-CG2 4.27Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I368-L442 HydrophobicContact CD1-CD1 3.84Å; I368-L442 HydrophobicContact CD1-CD2 3.64Å; I368-L442 HydrophobicContact CD1-CG 4.42Å; I368-W451 HydrophobicContact CD1-CH2 4.12Å; I368-W451 HydrophobicContact CD1-CZ3 3.91Å; I368-F469 HydrophobicContact CD1-CD1 4.48Å; I368-T470 PolarHBondContact N-O 2.95Å; I368-I471 HydrophobicContact CB-CG1 4.31Å; I368-I471 HydrophobicContact CD1-CG1 4.43Å; I368-I471 WeakPolarHBondContact O-CA 3.3Å; I368-E472 PolarHBondContact O-N 3.05Å
369	H	90.8	Very high	76.4	Confident	49 Å²	49	54.6 Å²	54.6	23%	0.227	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	162	-179.7	-66.5	-79.5	0	0	0	110.9	F350 S351 E367 E472	F350-H369 CarbonylContact C-O 3.45Å; F350-H369 WeakPolarHBondContact CA-O 2.96Å; F350-H369 WeakPolarHBondContact CB-O 3.03Å; S351-H369 PolarHBondContact N-O 3.23Å; S351-H369 PolarHBondContact O-N 3.33Å; S351-H369 WeakPolarHBondContact OG-CB 3.47Å; E367-H369 VanDerWaalsContact CB-NE2 3.32Å; E367-H369 WeakPolarHBondContact CB-NE2 3Å; E367-H369 IonicContact OE2-CD2 2.93Å; E367-H369 IonicContact OE2-CE1 3.77Å; E367-H369 IonicContact OE2-NE2 3.43Å; E367-H369 PolarHBondContact OE2-NE2 3.11Å; H369-E472 IonicContact CE1-OE2 2.62Å
370	S	89.8	Confident	76.8	Confident	33 Å²	33	55.2 Å²	55.2	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	140.2	170.4	-67.2	0	0	0	0	111.3
371	G	88.3	Confident	77.1	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.021	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.9	151.6	-177.7	0	0	0	0	0	113.2	T347 W349 L373 Q426	T347-G371 CarbonylContact O-C 3.6Å; T347-G371 WeakPolarHBondContact O-CA 3.38Å; W349-G371 PolarHBondContact O-N 2.95Å; G371-L373 PolarHBondContact O-N 3.37Å; G371-Q426 PolarHBondContact O-NE2 3.03Å
372	S	85	Confident	77.1	Confident	72 Å²	72	54 Å²	54	50%	0.503	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-72.7	129.3	176.8	175	0	0	0	0	110.5	T347 D374	T347-S372 PolarHBondContact O-N 3.33Å; S372-D374 PolarHBondContact OG-N 3.38Å; S372-D374 PolarHBondContact OG-OD1 2.85Å
373	L	83.3	Confident	76.8	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.037	29%	0.289	C	S	.	.			trans	-108.2	11	179.5	-70.6	-165.1	0	0	0	112.3	A348 G371 A375 I376 D377 Y419 L422 K423 Q426	A348-L373 HydrophobicContact CB-CD2 4.39Å; A348-L373 WeakPolarHBondContact O-CD2 3.43Å; G371-L373 PolarHBondContact O-N 3.37Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.15Å; L373-I376 PolarHBondContact O-N 3.09Å; L373-D377 PolarHBondContact O-N 3.02Å; L373-Y419 HydrophobicContact CB-CD2 4.39Å; L373-Y419 HydrophobicContact CB-CE2 3.35Å; L373-Y419 HydrophobicContact CD1-CD2 4.26Å; L373-Y419 HydrophobicContact CD1-CE2 3.81Å; L373-Y419 HydrophobicContact CD2-CD2 3.69Å; L373-Y419 HydrophobicContact CD2-CE2 3.51Å; L373-Y419 HydrophobicContact CG-CD2 4.3Å; L373-Y419 HydrophobicContact CG-CE2 3.69Å; L373-Y419 WeakPolarHBondContact O-CE2 3.43Å; L373-Y419 PolarHBondContact O-OH 3.4Å; L373-L422 HydrophobicContact CD1-CB 4.1Å; L373-L422 HydrophobicContact CD2-CB 4.42Å; L373-L422 HydrophobicContact CD2-CD1 4.5Å; L373-K423 HydrophobicContact CD1-CB 3.93Å; L373-Q426 HydrophobicContact CD1-CG 4.38Å
374	D	77.5	Confident	76.3	Confident	61 Å²	61	55.8 Å²	55.8	33%	0.326	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.6	-34.4	-165.6	-63.3	20.9	0	0	0	113.2	S372 I376 D377 K380	S372-D374 PolarHBondContact OG-N 3.38Å; S372-D374 PolarHBondContact OG-OD1 2.85Å; D374-I376 PolarHBondContact O-N 3.05Å; D374-I376 VanDerWaalsContact O-N 3.1Å; D374-D377 PolarHBondContact O-N 3.2Å; D374-K380 HydrophobicContact CB-CD 3.74Å; D374-K380 VanDerWaalsContact OD1-CD 3.29Å; D374-K380 WeakPolarHBondContact OD1-CD 3.41Å; D374-K380 WeakPolarHBondContact OD1-CE 3.04Å; D374-K380 IonicContact OD1-NZ 3.68Å; D374-K380 PolarHBondContact OD1-NZ 3.06Å; D374-K380 VanDerWaalsContact OD2-CD 3.23Å; D374-K380 WeakPolarHBondContact OD2-CD 3.47Å; D374-K380 IonicContact OD2-NZ 2.98Å; D374-K380 PolarHBondContact OD2-NZ 3.17Å
375	A	68.6	Low	75.3	Confident	81 Å²	81	55.6 Å²	55.6	67%	0.669	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.1	-27.5	-175.1	0	0	0	0	0	113.3	L373	L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.15Å
376	I	69.6	Low	74	Confident	34 Å²	34	63.1 Å²	63.1	17%	0.174	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-129.8	16.7	-176.1	68.2	-175.4	0	0	0	111.5	L373 D374 I395 Y419	L373-I376 PolarHBondContact O-N 3.09Å; D374-I376 PolarHBondContact O-N 3.05Å; D374-I376 VanDerWaalsContact O-N 3.1Å; I376-I395 HydrophobicContact CB-CD1 3.62Å; I376-I395 HydrophobicContact CG2-CD1 3.21Å; I376-I395 HydrophobicContact CG2-CG1 3.98Å; I376-Y419 VanDerWaalsContact C-OH 3.28Å; I376-Y419 HydrophobicContact CB-CE1 4.48Å; I376-Y419 HydrophobicContact CB-CE2 4.43Å; I376-Y419 VanDerWaalsContact CD1-CB 3.48Å; I376-Y419 HydrophobicContact CD1-CD1 3.55Å; I376-Y419 HydrophobicContact CD1-CD2 3.07Å; I376-Y419 HydrophobicContact CD1-CE1 4Å; I376-Y419 HydrophobicContact CD1-CE2 3.48Å; I376-Y419 VanDerWaalsContact CD1-CE2 3.48Å; I376-Y419 HydrophobicContact CD1-CG 3.05Å; I376-Y419 HydrophobicContact CG1-CD1 3.63Å; I376-Y419 HydrophobicContact CG1-CD2 3.29Å; I376-Y419 HydrophobicContact CG1-CE1 3.5Å; I376-Y419 VanDerWaalsContact CG1-CE1 3.5Å; I376-Y419 HydrophobicContact CG1-CE2 3.04Å; I376-Y419 HydrophobicContact CG1-CG 3.53Å; I376-Y419 PolarHBondContact O-OH 2.95Å
377	D	71.4	Confident	73	Confident	22 Å²	22	68.6 Å²	68.6	12%	0.118	37%	0.37	C	S	.	.			trans	-89	112	172.1	-166.4	-7.4	0	0	0	111.5	L373 D374 E379 K380 L381 Y419 K423	L373-D377 PolarHBondContact O-N 3.02Å; D374-D377 PolarHBondContact O-N 3.2Å; D377-E379 PolarHBondContact O-N 3.2Å; D377-E379 PolarHBondContact OD1-N 3Å; D377-E379 VanDerWaalsContact OD1-N 3.16Å; D377-K380 HydrophobicContact CB-CB 4.23Å; D377-K380 HydrophobicContact CB-CG 4.4Å; D377-K380 PolarHBondContact O-N 3.06Å; D377-K380 VanDerWaalsContact O-N 3.13Å; D377-L381 WeakPolarHBondContact O-CG 3.06Å; D377-L381 PolarHBondContact O-N 3.04Å; D377-Y419 WeakPolarHBondContact CA-OH 3.35Å; D377-Y419 WeakPolarHBondContact CB-OH 2.75Å; D377-Y419 PolarHBondContact N-OH 2.95Å; D377-Y419 VanDerWaalsContact N-OH 3.17Å; D377-K423 IonicContact OD1-NZ 3.91Å; D377-K423 PolarHBondContact OD1-NZ 2.97Å; D377-K423 IonicContact OD2-NZ 2.73Å
378	K	70.7	Confident	71.9	Confident	52 Å²	52	71 Å²	71	23%	0.226	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.8	177.5	68.6	-175.3	174.1	-163	0	114.3	D388 V391	K378-D388 IonicContact NZ-OD1 3.3Å; K378-D388 PolarHBondContact NZ-OD1 2.95Å; K378-V391 HydrophobicContact CB-CG2 3.92Å
379	E	68.2	Low	71.1	Confident	126 Å²	126	73.8 Å²	73.8	59%	0.589	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-41.1	-177.5	-68.3	171.5	-145.2	0	0	110.1	D377 N382 K427	D377-E379 PolarHBondContact O-N 3.2Å; D377-E379 PolarHBondContact OD1-N 3Å; D377-E379 VanDerWaalsContact OD1-N 3.16Å; E379-N382 PolarHBondContact O-N 3.37Å; E379-K427 IonicContact OE1-NZ 2.75Å; E379-K427 PolarHBondContact OE1-NZ 2.93Å
380	K	67.5	Low	70.4	Confident	124 Å²	124	75.7 Å²	75.7	54%	0.539	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.9	178.7	-69.4	-167.4	169.1	-172.4	0	113.9	D374 D377 N382	D374-K380 HydrophobicContact CB-CD 3.74Å; D374-K380 VanDerWaalsContact OD1-CD 3.29Å; D374-K380 WeakPolarHBondContact OD1-CD 3.41Å; D374-K380 WeakPolarHBondContact OD1-CE 3.04Å; D374-K380 IonicContact OD1-NZ 3.68Å; D374-K380 PolarHBondContact OD1-NZ 3.06Å; D374-K380 VanDerWaalsContact OD2-CD 3.23Å; D374-K380 WeakPolarHBondContact OD2-CD 3.47Å; D374-K380 IonicContact OD2-NZ 2.98Å; D374-K380 PolarHBondContact OD2-NZ 3.17Å; D377-K380 HydrophobicContact CB-CB 4.23Å; D377-K380 HydrophobicContact CB-CG 4.4Å; D377-K380 PolarHBondContact O-N 3.06Å; D377-K380 VanDerWaalsContact O-N 3.13Å; K380-N382 PolarHBondContact O-N 3.04Å; K380-N382 VanDerWaalsContact O-N 3.16Å
381	L	61	Low	69.7	Low	72 Å²	72	74.5 Å²	74.5	38%	0.377	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.7	172.7	-67.1	170.7	0	0	0	112.8	D377 M383 V391	D377-L381 WeakPolarHBondContact O-CG 3.06Å; D377-L381 PolarHBondContact O-N 3.04Å; L381-M383 HydrophobicContact CB-CG 3.53Å; L381-M383 HydrophobicContact CB-SD 3.84Å; L381-M383 HydrophobicContact CD1-SD 4.29Å; L381-M383 WeakPolarHBondContact O-CG 3.44Å; L381-M383 PolarHBondContact O-N 3Å; L381-V391 HydrophobicContact CD1-CG1 4.35Å
382	N	58.1	Low	69.3	Low	153 Å²	153	77.5 Å²	77.5	82%	0.818	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	40.1	179	-161.6	25.5	0	0	0	112.4	E379 K380	E379-N382 PolarHBondContact O-N 3.37Å; K380-N382 PolarHBondContact O-N 3.04Å; K380-N382 VanDerWaalsContact O-N 3.16Å
383	M	58	Low	69.1	Low	74 Å²	74	80.6 Å²	80.6	37%	0.365	42%	0.423	S	S	.	.			trans	-100.8	138.4	-177.1	-46.2	-165	70.8	0	0	108.9	L381 I385 L394	L381-M383 HydrophobicContact CB-CG 3.53Å; L381-M383 HydrophobicContact CB-SD 3.84Å; L381-M383 HydrophobicContact CD1-SD 4.29Å; L381-M383 WeakPolarHBondContact O-CG 3.44Å; L381-M383 PolarHBondContact O-N 3Å; M383-I385 HydrophobicContact CB-CB 4.08Å; M383-I385 HydrophobicContact CB-CD1 3.63Å; M383-I385 HydrophobicContact CB-CG1 3.57Å; M383-I385 HydrophobicContact CE-CD1 3.47Å; M383-I385 VanDerWaalsContact CE-CD1 3.47Å; M383-I385 HydrophobicContact CE-CG1 4.31Å; M383-I385 HydrophobicContact CG-CD1 4.14Å; M383-I385 PolarHBondContact O-N 2.96Å; M383-I385 HydrophobicContact SD-CD1 3.47Å; M383-I385 WeakPolarHBondContact SD-CD1 3.47Å; M383-I385 HydrophobicContact SD-CG1 4.47Å; M383-L394 HydrophobicContact CE-CD1 3.32Å; M383-L394 HydrophobicContact SD-CD1 3.57Å; M383-L394 VanDerWaalsContact SD-CD1 3.57Å
384	S	58.1	Low	68.9	Low	127 Å²	127	84 Å²	84	89%	0.888	44%	0.44	S	S	*	.			trans	-71.6	24	173.3	71.9	0	0	0	0	113
385	I	59.5	Low	69	Low	22 Å²	22	82.2 Å²	82.2	11%	0.113	43%	0.431	C	S	.	.			trans	-78.9	128.6	-168.8	-69.4	179.8	0	0	0	109.1	M383 E387 E390 V391 L394	M383-I385 HydrophobicContact CB-CB 4.08Å; M383-I385 HydrophobicContact CB-CD1 3.63Å; M383-I385 HydrophobicContact CB-CG1 3.57Å; M383-I385 HydrophobicContact CE-CD1 3.47Å; M383-I385 VanDerWaalsContact CE-CD1 3.47Å; M383-I385 HydrophobicContact CE-CG1 4.31Å; M383-I385 HydrophobicContact CG-CD1 4.14Å; M383-I385 PolarHBondContact O-N 2.96Å; M383-I385 HydrophobicContact SD-CD1 3.47Å; M383-I385 WeakPolarHBondContact SD-CD1 3.47Å; M383-I385 HydrophobicContact SD-CG1 4.47Å; I385-E387 WeakPolarHBondContact CG2-O 3.47Å; I385-E390 HydrophobicContact CD1-CB 4.01Å; I385-E390 HydrophobicContact CG1-CB 4.44Å; I385-E390 WeakPolarHBondContact CG1-OE2 3.49Å; I385-E390 HydrophobicContact CG2-CB 3.74Å; I385-E390 HydrophobicContact CG2-CG 4.31Å; I385-E390 WeakPolarHBondContact CG2-OE2 3.27Å; I385-V391 HydrophobicContact CG2-CG2 4.31Å; I385-L394 HydrophobicContact CD1-CD1 3.58Å
386	Q	57.2	Low	69.5	Low	172 Å²	172	79.2 Å²	79.2	80%	0.804	40%	0.402	S	S	*	.			trans	-85.7	-29.8	177.7	-66.9	-172.7	-17.9	0	0	112.2
387	E	66.5	Low	70	Confident	115 Å²	115	84 Å²	84	54%	0.537	42%	0.422	S	S	.	.			trans	-120.4	139.9	-167.9	-60.1	-172	178.7	0	0	113.5	I385 S389 E390	I385-E387 WeakPolarHBondContact CG2-O 3.47Å; E387-S389 WeakPolarHBondContact CB-OG 3.38Å; E387-S389 PolarHBondContact O-N 3.28Å; E387-S389 PolarHBondContact OE2-OG 3.05Å; E387-E390 PolarHBondContact O-N 2.74Å
388	D	69.1	Low	70.3	Confident	93 Å²	93	89 Å²	89	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-18.1	179.7	-61.5	-15	0	0	0	112.4	K378 V391 K392	K378-D388 IonicContact NZ-OD1 3.3Å; K378-D388 PolarHBondContact NZ-OD1 2.95Å; D388-V391 WeakPolarHBondContact O-CB 3.49Å; D388-V391 PolarHBondContact O-N 2.99Å; D388-K392 PolarHBondContact O-N 3.42Å; D388-K392 VanDerWaalsContact O-N 3.16Å
389	S	75.6	Confident	70.7	Confident	58 Å²	58	87.5 Å²	87.5	41%	0.406	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-42.2	173.9	52.9	0	0	0	0	112.7	E387 V391 K392 E393	E387-S389 WeakPolarHBondContact CB-OG 3.38Å; E387-S389 PolarHBondContact O-N 3.28Å; E387-S389 PolarHBondContact OE2-OG 3.05Å; S389-V391 VanDerWaalsContact C-N 3.31Å; S389-V391 PolarHBondContact O-N 2.78Å; S389-K392 WeakPolarHBondContact O-CB 3.29Å; S389-K392 PolarHBondContact O-N 2.9Å; S389-E393 PolarHBondContact O-N 2.99Å; S389-E393 VanDerWaalsContact O-N 3.11Å
390	E	75	Confident	71.1	Confident	89 Å²	89	85.6 Å²	85.6	42%	0.416	43%	0.425	S	S	.	.	H	α-helix	trans	-68.8	-33.4	179.2	-62.5	-175.8	-175.4	0	0	111.4	I385 E387 E393 L394	I385-E390 HydrophobicContact CD1-CB 4.01Å; I385-E390 HydrophobicContact CG1-CB 4.44Å; I385-E390 WeakPolarHBondContact CG1-OE2 3.49Å; I385-E390 HydrophobicContact CG2-CB 3.74Å; I385-E390 HydrophobicContact CG2-CG 4.31Å; I385-E390 WeakPolarHBondContact CG2-OE2 3.27Å; E387-E390 PolarHBondContact O-N 2.74Å; E390-E393 PolarHBondContact O-N 2.93Å; E390-L394 WeakPolarHBondContact O-CD1 2.88Å; E390-L394 VanDerWaalsContact O-CG 3.24Å; E390-L394 WeakPolarHBondContact O-CG 3.41Å; E390-L394 PolarHBondContact O-N 2.91Å
391	V	76.5	Confident	71.4	Confident	8 Å²	8	83.3 Å²	83.3	5%	0.048	42%	0.419	C	S	.	.	H	α-helix	trans	-63	-45.3	173.7	-179.8	0	0	0	0	110	K378 L381 I385 D388 S389 E393 L394 I395	K378-V391 HydrophobicContact CB-CG2 3.92Å; L381-V391 HydrophobicContact CD1-CG1 4.35Å; I385-V391 HydrophobicContact CG2-CG2 4.31Å; D388-V391 WeakPolarHBondContact O-CB 3.49Å; D388-V391 PolarHBondContact O-N 2.99Å; S389-V391 VanDerWaalsContact C-N 3.31Å; S389-V391 PolarHBondContact O-N 2.78Å; V391-E393 PolarHBondContact O-N 2.88Å; V391-L394 PolarHBondContact O-N 3.32Å; V391-I395 HydrophobicContact CG1-CD1 3.66Å; V391-I395 VanDerWaalsContact O-CD1 3.28Å; V391-I395 WeakPolarHBondContact O-CD1 3.43Å; V391-I395 VanDerWaalsContact O-CG1 3.3Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.37Å
392	K	80	Confident	71.9	Confident	65 Å²	65	80.5 Å²	80.5	28%	0.283	41%	0.405	S	S	.	.	H	α-helix	trans	-56.1	-51.7	175.4	-65.7	-167.9	172.1	-167	0	111.4	D388 S389 L394 I395 F396 D413 F416	D388-K392 PolarHBondContact O-N 3.42Å; D388-K392 VanDerWaalsContact O-N 3.16Å; S389-K392 WeakPolarHBondContact O-CB 3.29Å; S389-K392 PolarHBondContact O-N 2.9Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 3.48Å; K392-I395 PolarHBondContact O-N 2.92Å; K392-F396 HydrophobicContact CB-CD2 4.48Å; K392-F396 HydrophobicContact CB-CE2 4.32Å; K392-F396 WeakPolarHBondContact O-CD2 3.42Å; K392-F396 PolarHBondContact O-N 2.91Å; K392-D413 IonicContact NZ-OD1 3.1Å; K392-D413 PolarHBondContact NZ-OD1 3.4Å; K392-F416 HydrophobicContact CB-CD2 4.33Å; K392-F416 HydrophobicContact CB-CE1 4.36Å; K392-F416 HydrophobicContact CB-CE2 3.81Å; K392-F416 HydrophobicContact CB-CZ 3.84Å; K392-F416 HydrophobicContact CD-CB 4.42Å; K392-F416 HydrophobicContact CD-CD2 3.61Å; K392-F416 HydrophobicContact CD-CE2 3.96Å; K392-F416 HydrophobicContact CD-CG 3.94Å; K392-F416 VanDerWaalsContact CE-CB 3.48Å; K392-F416 HydrophobicContact CG-CD1 3.9Å; K392-F416 HydrophobicContact CG-CD2 3.67Å; K392-F416 HydrophobicContact CG-CE1 3.86Å; K392-F416 HydrophobicContact CG-CE2 3.64Å; K392-F416 HydrophobicContact CG-CG 3.82Å; K392-F416 HydrophobicContact CG-CZ 3.75Å
393	E	80	Confident	72.4	Confident	138 Å²	138	73.5 Å²	73.5	65%	0.645	37%	0.369	S	S	*	.	H	α-helix	trans	-58.8	-39.9	-179.6	-73.9	-166.1	168.4	0	0	112.8	S389 E390 V391 F396 K397	S389-E393 PolarHBondContact O-N 2.99Å; S389-E393 VanDerWaalsContact O-N 3.11Å; E390-E393 PolarHBondContact O-N 2.93Å; V391-E393 PolarHBondContact O-N 2.88Å; E393-F396 PolarHBondContact O-N 3.03Å; E393-K397 WeakPolarHBondContact O-CB 3.5Å; E393-K397 PolarHBondContact O-N 2.74Å
394	L	78.8	Confident	72.9	Confident	77 Å²	77	70.7 Å²	70.7	40%	0.403	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-42.1	178	-74.6	163.5	0	0	0	112.3	M383 I385 E390 V391 K392 K397 Y398	M383-L394 HydrophobicContact CE-CD1 3.32Å; M383-L394 HydrophobicContact SD-CD1 3.57Å; M383-L394 VanDerWaalsContact SD-CD1 3.57Å; I385-L394 HydrophobicContact CD1-CD1 3.58Å; E390-L394 WeakPolarHBondContact O-CD1 2.88Å; E390-L394 VanDerWaalsContact O-CG 3.24Å; E390-L394 WeakPolarHBondContact O-CG 3.41Å; E390-L394 PolarHBondContact O-N 2.91Å; V391-L394 PolarHBondContact O-N 3.32Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 3.48Å; L394-K397 PolarHBondContact O-N 2.92Å; L394-Y398 PolarHBondContact O-N 2.97Å
395	I	79.8	Confident	73.2	Confident	25 Å²	25	67.6 Å²	67.6	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-44.7	176.9	-67	156.6	0	0	0	109.8	I376 V391 K392 K397 Y398 L399 M412 F416	I376-I395 HydrophobicContact CB-CD1 3.62Å; I376-I395 HydrophobicContact CG2-CD1 3.21Å; I376-I395 HydrophobicContact CG2-CG1 3.98Å; V391-I395 HydrophobicContact CG1-CD1 3.66Å; V391-I395 VanDerWaalsContact O-CD1 3.28Å; V391-I395 WeakPolarHBondContact O-CD1 3.43Å; V391-I395 VanDerWaalsContact O-CG1 3.3Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.37Å; K392-I395 PolarHBondContact O-N 2.92Å; I395-K397 VanDerWaalsContact C-N 3.32Å; I395-K397 PolarHBondContact O-N 2.65Å; I395-Y398 CarbonylContact O-C 3.56Å; I395-Y398 WeakPolarHBondContact O-CA 3.35Å; I395-Y398 WeakPolarHBondContact O-CB 3.44Å; I395-Y398 PolarHBondContact O-N 3.33Å; I395-Y398 VanDerWaalsContact O-N 3.09Å; I395-L399 HydrophobicContact CG2-CD1 4.04Å; I395-L399 HydrophobicContact CG2-CG 4.32Å; I395-L399 WeakPolarHBondContact O-CB 3.42Å; I395-L399 WeakPolarHBondContact O-CG 3.33Å; I395-L399 PolarHBondContact O-N 3.22Å; I395-M412 HydrophobicContact CG2-CE 4.01Å; I395-F416 HydrophobicContact CB-CZ 4.1Å; I395-F416 HydrophobicContact CD1-CE1 3.5Å; I395-F416 HydrophobicContact CD1-CZ 3.85Å; I395-F416 HydrophobicContact CG2-CZ 4.08Å
396	F	79.2	Confident	73.5	Confident	17 Å²	17	73.2 Å²	73.2	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-44.6	174.2	-79.1	-63.4	0	0	0	112.5	K392 E393 Y398 L399 E400 E409 M412 F416	K392-F396 HydrophobicContact CB-CD2 4.48Å; K392-F396 HydrophobicContact CB-CE2 4.32Å; K392-F396 WeakPolarHBondContact O-CD2 3.42Å; K392-F396 PolarHBondContact O-N 2.91Å; E393-F396 PolarHBondContact O-N 3.03Å; F396-Y398 PolarHBondContact O-N 2.93Å; F396-L399 CarbonylContact O-C 3.55Å; F396-L399 WeakPolarHBondContact O-CA 3.44Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 3.38Å; F396-L399 VanDerWaalsContact O-N 3.09Å; F396-E400 WeakPolarHBondContact O-CG 3.23Å; F396-E400 PolarHBondContact O-N 2.98Å; F396-E409 HydrophobicContact CD1-CB 4.42Å; F396-E409 HydrophobicContact CD1-CG 4Å; F396-E409 HydrophobicContact CD2-CG 3.87Å; F396-E409 VanDerWaalsContact CE1-CA 3.42Å; F396-E409 HydrophobicContact CE1-CB 3.99Å; F396-E409 HydrophobicContact CE1-CG 3.65Å; F396-E409 HydrophobicContact CE2-CG 3.51Å; F396-E409 HydrophobicContact CG-CG 4.1Å; F396-E409 HydrophobicContact CZ-CB 4.1Å; F396-E409 HydrophobicContact CZ-CG 3.37Å; F396-E409 WeakPolarHBondContact CZ-O 3.33Å; F396-M412 HydrophobicContact CD1-CB 4.48Å; F396-M412 HydrophobicContact CD1-CG 4.28Å; F396-M412 HydrophobicContact CE1-CB 3.25Å; F396-M412 HydrophobicContact CE1-CG 3.34Å; F396-M412 HydrophobicContact CE2-CB 4.28Å; F396-M412 HydrophobicContact CZ-CB 3.13Å; F396-M412 HydrophobicContact CZ-CG 3.8Å; F396-F416 HydrophobicContact CD2-CE2 4.43Å; F396-F416 AromaticContact CE2-CE2 3.65Å; F396-F416 HydrophobicContact CE2-CE2 3.65Å; F396-F416 HydrophobicContact CE2-CZ 4.44Å; F396-F416 AromaticContact CZ-CE2 3.87Å; F396-F416 HydrophobicContact CZ-CE2 3.87Å
397	K	80.1	Confident	74	Confident	134 Å²	134	69 Å²	69	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-34.4	177.3	-170.3	176	-175.4	174.3	0	111.9	E393 L394 I395 N401	E393-K397 WeakPolarHBondContact O-CB 3.5Å; E393-K397 PolarHBondContact O-N 2.74Å; L394-K397 PolarHBondContact O-N 2.92Å; I395-K397 VanDerWaalsContact C-N 3.32Å; I395-K397 PolarHBondContact O-N 2.65Å; K397-N401 PolarHBondContact O-N 3.28Å; K397-N401 PolarHBondContact O-ND2 3.23Å
398	Y	77.2	Confident	74.3	Confident	127 Å²	127	64.1 Å²	64.1	50%	0.498	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-46.5	171.5	178.1	-94.5	0	0	0	111.1	L394 I395 F396 E400 N401 V402	L394-Y398 PolarHBondContact O-N 2.97Å; I395-Y398 CarbonylContact O-C 3.56Å; I395-Y398 WeakPolarHBondContact O-CA 3.35Å; I395-Y398 WeakPolarHBondContact O-CB 3.44Å; I395-Y398 PolarHBondContact O-N 3.33Å; I395-Y398 VanDerWaalsContact O-N 3.09Å; F396-Y398 PolarHBondContact O-N 2.93Å; Y398-E400 PolarHBondContact O-N 2.98Å; Y398-N401 WeakPolarHBondContact O-CA 3.32Å; Y398-N401 WeakPolarHBondContact O-CB 3.38Å; Y398-N401 PolarHBondContact O-N 3.02Å; Y398-V402 HydrophobicContact CE1-CG1 4.12Å; Y398-V402 PolarHBondContact O-N 3.01Å
399	L	78.6	Confident	74.5	Confident	22 Å²	22	63.3 Å²	63.3	12%	0.115	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-44.7	176.9	-71.7	178.6	0	0	0	112.3	W309 I395 F396 N401 V402 G403 E404 M412	W309-L399 HydrophobicContact CH2-CD2 4.29Å; W309-L399 HydrophobicContact CZ3-CD2 4.1Å; I395-L399 HydrophobicContact CG2-CD1 4.04Å; I395-L399 HydrophobicContact CG2-CG 4.32Å; I395-L399 WeakPolarHBondContact O-CB 3.42Å; I395-L399 WeakPolarHBondContact O-CG 3.33Å; I395-L399 PolarHBondContact O-N 3.22Å; F396-L399 CarbonylContact O-C 3.55Å; F396-L399 WeakPolarHBondContact O-CA 3.44Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 3.38Å; F396-L399 VanDerWaalsContact O-N 3.09Å; L399-N401 PolarHBondContact O-N 2.85Å; L399-V402 HydrophobicContact CD2-CG2 4.25Å; L399-V402 CarbonylContact O-C 3.49Å; L399-V402 WeakPolarHBondContact O-CG2 3.37Å; L399-V402 PolarHBondContact O-N 3.1Å; L399-G403 PolarHBondContact O-N 2.93Å; L399-E404 HydrophobicContact CB-CB 4.08Å; L399-E404 HydrophobicContact CB-CG 3.68Å; L399-E404 HydrophobicContact CD2-CG 4.3Å; L399-E404 HydrophobicContact CG-CG 4.45Å; L399-E404 WeakPolarHBondContact O-CG 3.35Å; L399-E404 PolarHBondContact O-N 3.21Å; L399-M412 HydrophobicContact CD1-CE 3.89Å; L399-M412 HydrophobicContact CD1-CG 4.14Å; L399-M412 HydrophobicContact CD1-SD 3.83Å
400	E	77.4	Confident	74.7	Confident	85 Å²	85	65.7 Å²	65.7	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-34.5	173.3	-74	-177.3	157.9	0	0	112.4	F396 Y398 V402 K406	F396-E400 WeakPolarHBondContact O-CG 3.23Å; F396-E400 PolarHBondContact O-N 2.98Å; Y398-E400 PolarHBondContact O-N 2.98Å; E400-V402 VanDerWaalsContact C-N 3.32Å; E400-K406 WeakPolarHBondContact OE1-CB 3.43Å; E400-K406 WeakPolarHBondContact OE1-CD 3.41Å; E400-K406 WeakPolarHBondContact OE1-CG 3.29Å
401	N	73.3	Confident	74.7	Confident	77 Å²	77	64.8 Å²	64.8	41%	0.412	32%	0.317	S	S	.	.	H	α-helix	trans	-72.1	-25.7	176.9	-77.3	-70.6	0	0	0	112.8	K291 K397 Y398 L399	K291-N401 PolarHBondContact NZ-OD1 3.27Å; K397-N401 PolarHBondContact O-N 3.28Å; K397-N401 PolarHBondContact O-ND2 3.23Å; Y398-N401 WeakPolarHBondContact O-CA 3.32Å; Y398-N401 WeakPolarHBondContact O-CB 3.38Å; Y398-N401 PolarHBondContact O-N 3.02Å; L399-N401 PolarHBondContact O-N 2.85Å
402	V	71.3	Confident	74.8	Confident	13 Å²	13	65.3 Å²	65.3	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-94.3	-16.4	177.4	-56.3	0	0	0	0	112.9	K295 I298 W309 Y398 L399 E400	K295-V402 WeakPolarHBondContact CG-O 3.29Å; I298-V402 HydrophobicContact CD1-CB 3.99Å; I298-V402 HydrophobicContact CD1-CG1 3.46Å; I298-V402 VanDerWaalsContact CD1-CG1 3.46Å; I298-V402 HydrophobicContact CG2-CB 4.13Å; W309-V402 HydrophobicContact CH2-CG2 3.94Å; Y398-V402 HydrophobicContact CE1-CG1 4.12Å; Y398-V402 PolarHBondContact O-N 3.01Å; L399-V402 HydrophobicContact CD2-CG2 4.25Å; L399-V402 CarbonylContact O-C 3.49Å; L399-V402 WeakPolarHBondContact O-CG2 3.37Å; L399-V402 PolarHBondContact O-N 3.1Å; E400-V402 VanDerWaalsContact C-N 3.32Å
403	G	69.3	Low	74.9	Confident	5 Å²	5	66 Å²	66	5%	0.052	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	149	2.8	160.1	0	0	0	0	0	118.4	K295 S313 L399	K295-G403 PolarHBondContact NZ-O 3.39Å; K295-G403 VanDerWaalsContact NZ-O 3.11Å; S313-G403 WeakPolarHBondContact CB-O 3.42Å; L399-G403 PolarHBondContact O-N 2.93Å
404	E	68.7	Low	75	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.075	32%	0.317	C	S	.	.			trans	-80.1	152.5	-163.4	-55.1	-32.4	94.6	0	0	112.5	W309 M311 S312 L399	W309-E404 HydrophobicContact CH2-CG 3.85Å; W309-E404 WeakPolarHBondContact CH2-OE1 3.34Å; W309-E404 HydrophobicContact CZ2-CG 4.13Å; W309-E404 WeakPolarHBondContact CZ2-OE1 3.44Å; W309-E404 WeakPolarHBondContact CZ2-OE2 3.33Å; W309-E404 HydrophobicContact CZ3-CG 4.4Å; M311-E404 WeakPolarHBondContact CA-OE2 3.4Å; M311-E404 HydrophobicContact CB-CG 3.99Å; M311-E404 WeakPolarHBondContact CB-OE2 3.49Å; M311-E404 HydrophobicContact CE-CB 4.37Å; S312-E404 PolarHBondContact N-OE2 3.03Å; L399-E404 HydrophobicContact CB-CB 4.08Å; L399-E404 HydrophobicContact CB-CG 3.68Å; L399-E404 HydrophobicContact CD2-CG 4.3Å; L399-E404 HydrophobicContact CG-CG 4.45Å; L399-E404 WeakPolarHBondContact O-CG 3.35Å; L399-E404 PolarHBondContact O-N 3.21Å
405	L	63.6	Low	75.3	Confident	62 Å²	62	61.3 Å²	61.3	33%	0.325	32%	0.318	S	S	.	.			trans	-79.3	131.4	172.3	-75.8	165.2	0	0	0	110	S407 N408	L405-S407 WeakPolarHBondContact CB-OG 3.19Å; L405-S407 PolarHBondContact O-N 3.03Å; L405-S407 VanDerWaalsContact O-N 3.15Å; L405-N408 WeakPolarHBondContact O-CB 3.41Å; L405-N408 PolarHBondContact O-N 3.21Å
406	K	66.6	Low	75.5	Confident	140 Å²	140	60.7 Å²	60.7	61%	0.609	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-56.3	-27.9	167.9	-166.5	171.4	-176.6	172	0	112.8	E400 N408 E409	E400-K406 WeakPolarHBondContact OE1-CB 3.43Å; E400-K406 WeakPolarHBondContact OE1-CD 3.41Å; E400-K406 WeakPolarHBondContact OE1-CG 3.29Å; K406-N408 PolarHBondContact O-N 3.15Å; K406-E409 VanDerWaalsContact O-CB 3.24Å; K406-E409 WeakPolarHBondContact O-CB 3.44Å; K406-E409 PolarHBondContact O-N 3.33Å
407	S	68.3	Low	75.9	Confident	83 Å²	83	65 Å²	65	58%	0.58	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.6	175.3	56.3	0	0	0	0	113.8	L405 E409 N410	L405-S407 WeakPolarHBondContact CB-OG 3.19Å; L405-S407 PolarHBondContact O-N 3.03Å; L405-S407 VanDerWaalsContact O-N 3.15Å; S407-E409 PolarHBondContact O-N 2.8Å; S407-N410 PolarHBondContact O-OD1 3.07Å
408	N	72.1	Confident	76.2	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.064	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-88.6	9.9	178.7	-60.3	-7.8	0	0	0	111.6	M311 Q318 L405 K406 N410 M411	M311-N408 HydrophobicContact CE-CB 3.64Å; M311-N408 WeakPolarHBondContact CE-O 3.45Å; M311-N408 PolarHBondContact O-ND2 3.18Å; M311-N408 HydrophobicContact SD-CB 3.8Å; Q318-N408 PolarHBondContact NE2-ND2 3.15Å; Q318-N408 VanDerWaalsContact NE2-ND2 3.19Å; L405-N408 WeakPolarHBondContact O-CB 3.41Å; L405-N408 PolarHBondContact O-N 3.21Å; K406-N408 PolarHBondContact O-N 3.15Å; N408-N410 PolarHBondContact O-N 3.1Å; N408-M411 HydrophobicContact CB-CG 4.5Å; N408-M411 HydrophobicContact CB-SD 4.06Å; N408-M411 WeakPolarHBondContact O-CB 3.12Å; N408-M411 PolarHBondContact O-N 3.38Å
409	E	74.1	Confident	76.7	Confident	77 Å²	77	55.5 Å²	55.5	36%	0.36	30%	0.297	S	S	.	.	H	α-helix	trans	-54.7	-38.4	178.5	-167	174	176.2	0	0	111.9	F396 K406 S407 M411 M412	F396-E409 HydrophobicContact CD1-CB 4.42Å; F396-E409 HydrophobicContact CD1-CG 4Å; F396-E409 HydrophobicContact CD2-CG 3.87Å; F396-E409 VanDerWaalsContact CE1-CA 3.42Å; F396-E409 HydrophobicContact CE1-CB 3.99Å; F396-E409 HydrophobicContact CE1-CG 3.65Å; F396-E409 HydrophobicContact CE2-CG 3.51Å; F396-E409 HydrophobicContact CG-CG 4.1Å; F396-E409 HydrophobicContact CZ-CB 4.1Å; F396-E409 HydrophobicContact CZ-CG 3.37Å; F396-E409 WeakPolarHBondContact CZ-O 3.33Å; K406-E409 VanDerWaalsContact O-CB 3.24Å; K406-E409 WeakPolarHBondContact O-CB 3.44Å; K406-E409 PolarHBondContact O-N 3.33Å; S407-E409 PolarHBondContact O-N 2.8Å; E409-M411 VanDerWaalsContact C-N 3.31Å; E409-M411 PolarHBondContact O-N 3.35Å; E409-M412 PolarHBondContact O-N 2.95Å
410	N	78.1	Confident	77	Confident	107 Å²	107	57.5 Å²	57.5	57%	0.572	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-30.7	176	62.2	-12.2	0	0	0	114.4	S407 N408 M412 D413	S407-N410 PolarHBondContact O-OD1 3.07Å; N408-N410 PolarHBondContact O-N 3.1Å; N410-M412 VanDerWaalsContact C-N 3.26Å; N410-M412 PolarHBondContact O-N 3.4Å; N410-D413 WeakPolarHBondContact O-CB 3.41Å; N410-D413 PolarHBondContact O-N 2.96Å
411	M	75.6	Confident	77.6	Confident	71 Å²	71	56.2 Å²	56.2	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-32	-179.5	-66.8	-178.6	170.3	0	0	111.5	L310 M311 N408 E409 D413 G414	L310-M411 HydrophobicContact CD2-CE 3.98Å; L310-M411 HydrophobicContact CD2-SD 3.85Å; L310-M411 HydrophobicContact CG-CE 4.04Å; L310-M411 HydrophobicContact CG-SD 3.89Å; M311-M411 HydrophobicContact SD-CB 3.77Å; M311-M411 HydrophobicContact SD-SD 4.2Å; N408-M411 HydrophobicContact CB-CG 4.5Å; N408-M411 HydrophobicContact CB-SD 4.06Å; N408-M411 WeakPolarHBondContact O-CB 3.12Å; N408-M411 PolarHBondContact O-N 3.38Å; E409-M411 VanDerWaalsContact C-N 3.31Å; E409-M411 PolarHBondContact O-N 3.35Å; M411-D413 VanDerWaalsContact C-N 3.28Å; M411-D413 PolarHBondContact O-N 3.07Å; M411-G414 PolarHBondContact O-N 3.37Å
412	M	79.1	Confident	78.4	Confident	19 Å²	19	52.8 Å²	52.8	9%	0.094	29%	0.289	C	S	.	.	H	α-helix	trans	-75.2	-15.6	179.7	-83.6	-68.1	-61.2	0	0	112.8	M311 I395 F396 L399 E409 N410 G414 V415 F416	M311-M412 HydrophobicContact CE-CG 3.64Å; M311-M412 HydrophobicContact SD-CG 3.98Å; I395-M412 HydrophobicContact CG2-CE 4.01Å; F396-M412 HydrophobicContact CD1-CB 4.48Å; F396-M412 HydrophobicContact CD1-CG 4.28Å; F396-M412 HydrophobicContact CE1-CB 3.25Å; F396-M412 HydrophobicContact CE1-CG 3.34Å; F396-M412 HydrophobicContact CE2-CB 4.28Å; F396-M412 HydrophobicContact CZ-CB 3.13Å; F396-M412 HydrophobicContact CZ-CG 3.8Å; L399-M412 HydrophobicContact CD1-CE 3.89Å; L399-M412 HydrophobicContact CD1-CG 4.14Å; L399-M412 HydrophobicContact CD1-SD 3.83Å; E409-M412 PolarHBondContact O-N 2.95Å; N410-M412 VanDerWaalsContact C-N 3.26Å; N410-M412 PolarHBondContact O-N 3.4Å; M412-G414 PolarHBondContact O-N 3.47Å; M412-V415 HydrophobicContact CE-CB 4.16Å; M412-V415 HydrophobicContact CE-CG1 4.06Å; M412-V415 WeakPolarHBondContact O-CB 3.31Å; M412-V415 PolarHBondContact O-N 2.89Å; M412-V415 HydrophobicContact SD-CB 3.99Å; M412-V415 HydrophobicContact SD-CG1 4.22Å; M412-V415 HydrophobicContact SD-CG2 3.85Å; M412-F416 HydrophobicContact CB-CD2 4.26Å; M412-F416 HydrophobicContact CB-CE2 3.97Å; M412-F416 HydrophobicContact CE-CD2 4.39Å; M412-F416 HydrophobicContact CE-CE1 4.31Å; M412-F416 HydrophobicContact CE-CE2 3.68Å; M412-F416 HydrophobicContact CE-CZ 3.63Å; M412-F416 WeakPolarHBondContact O-CD2 3.35Å; M412-F416 PolarHBondContact O-N 3.41Å
413	D	81.7	Confident	79.1	Confident	80 Å²	80	53.4 Å²	53.4	43%	0.428	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-39.3	172.7	-80.5	-37.1	0	0	0	111.7	K392 N410 M411 V415 F416 E417	K392-D413 IonicContact NZ-OD1 3.1Å; K392-D413 PolarHBondContact NZ-OD1 3.4Å; N410-D413 WeakPolarHBondContact O-CB 3.41Å; N410-D413 PolarHBondContact O-N 2.96Å; M411-D413 VanDerWaalsContact C-N 3.28Å; M411-D413 PolarHBondContact O-N 3.07Å; D413-V415 VanDerWaalsContact C-N 3.34Å; D413-V415 PolarHBondContact O-N 3.13Å; D413-F416 PolarHBondContact O-N 2.51Å; D413-E417 WeakPolarHBondContact O-CB 3.47Å; D413-E417 PolarHBondContact O-N 3.08Å
414	G	82.8	Confident	80.1	Confident	44 Å²	44	57.9 Å²	57.9	45%	0.454	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-36	173.4	0	0	0	0	0	113.2	M411 M412 L418	M411-G414 PolarHBondContact O-N 3.37Å; M412-G414 PolarHBondContact O-N 3.47Å; G414-L418 WeakPolarHBondContact O-CB 3.5Å; G414-L418 PolarHBondContact O-N 3.24Å
415	V	84.8	Confident	81	Confident	72 Å²	72	57.6 Å²	57.6	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-44.4	175.1	178.8	0	0	0	0	110.7	M412 D413 Y419	M412-V415 HydrophobicContact CE-CB 4.16Å; M412-V415 HydrophobicContact CE-CG1 4.06Å; M412-V415 WeakPolarHBondContact O-CB 3.31Å; M412-V415 PolarHBondContact O-N 2.89Å; M412-V415 HydrophobicContact SD-CB 3.99Å; M412-V415 HydrophobicContact SD-CG1 4.22Å; M412-V415 HydrophobicContact SD-CG2 3.85Å; D413-V415 VanDerWaalsContact C-N 3.34Å; D413-V415 PolarHBondContact O-N 3.13Å; V415-Y419 WeakPolarHBondContact O-CB 3.47Å; V415-Y419 PolarHBondContact O-N 3.16Å
416	F	83.7	Confident	82.1	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.048	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-36.7	177.9	-71.5	-59.5	0	0	0	113.1	K392 I395 F396 M412 D413 S420	K392-F416 HydrophobicContact CB-CD2 4.33Å; K392-F416 HydrophobicContact CB-CE1 4.36Å; K392-F416 HydrophobicContact CB-CE2 3.81Å; K392-F416 HydrophobicContact CB-CZ 3.84Å; K392-F416 HydrophobicContact CD-CB 4.42Å; K392-F416 HydrophobicContact CD-CD2 3.61Å; K392-F416 HydrophobicContact CD-CE2 3.96Å; K392-F416 HydrophobicContact CD-CG 3.94Å; K392-F416 VanDerWaalsContact CE-CB 3.48Å; K392-F416 HydrophobicContact CG-CD1 3.9Å; K392-F416 HydrophobicContact CG-CD2 3.67Å; K392-F416 HydrophobicContact CG-CE1 3.86Å; K392-F416 HydrophobicContact CG-CE2 3.64Å; K392-F416 HydrophobicContact CG-CG 3.82Å; K392-F416 HydrophobicContact CG-CZ 3.75Å; I395-F416 HydrophobicContact CB-CZ 4.1Å; I395-F416 HydrophobicContact CD1-CE1 3.5Å; I395-F416 HydrophobicContact CD1-CZ 3.85Å; I395-F416 HydrophobicContact CG2-CZ 4.08Å; F396-F416 HydrophobicContact CD2-CE2 4.43Å; F396-F416 AromaticContact CE2-CE2 3.65Å; F396-F416 HydrophobicContact CE2-CE2 3.65Å; F396-F416 HydrophobicContact CE2-CZ 4.44Å; F396-F416 AromaticContact CZ-CE2 3.87Å; F396-F416 HydrophobicContact CZ-CE2 3.87Å; M412-F416 HydrophobicContact CB-CD2 4.26Å; M412-F416 HydrophobicContact CB-CE2 3.97Å; M412-F416 HydrophobicContact CE-CD2 4.39Å; M412-F416 HydrophobicContact CE-CE1 4.31Å; M412-F416 HydrophobicContact CE-CE2 3.68Å; M412-F416 HydrophobicContact CE-CZ 3.63Å; M412-F416 WeakPolarHBondContact O-CD2 3.35Å; M412-F416 PolarHBondContact O-N 3.41Å; D413-F416 PolarHBondContact O-N 2.51Å; F416-S420 WeakPolarHBondContact O-CB 3.28Å; F416-S420 PolarHBondContact O-N 2.92Å; F416-S420 PolarHBondContact O-OG 3.1Å
417	E	86.5	Confident	82.9	Confident	108 Å²	108	57.4 Å²	57.4	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-54.8	173	-173.7	-173.5	139.5	0	0	110.3	D413 Y419 S420 E421 K487	D413-E417 WeakPolarHBondContact O-CB 3.47Å; D413-E417 PolarHBondContact O-N 3.08Å; E417-Y419 VanDerWaalsContact C-N 3.29Å; E417-Y419 PolarHBondContact O-N 3.45Å; E417-S420 WeakPolarHBondContact O-CB 3.39Å; E417-S420 PolarHBondContact O-N 2.91Å; E417-E421 WeakPolarHBondContact O-CG 3.42Å; E417-E421 PolarHBondContact O-N 2.71Å; E417-K487 IonicContact OE1-NZ 2.82Å; E417-K487 PolarHBondContact OE1-NZ 3.49Å
418	L	88	Confident	83.7	Confident	40 Å²	40	56.9 Å²	56.9	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-55.8	-45.5	178.1	177.3	60.7	0	0	0	111.6	G414 S420 E421 L422 I483 K487	G414-L418 WeakPolarHBondContact O-CB 3.5Å; G414-L418 PolarHBondContact O-N 3.24Å; L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.92Å; L418-E421 PolarHBondContact O-N 3.05Å; L418-L422 HydrophobicContact CD1-CG 4.47Å; L418-L422 HydrophobicContact CG-CD1 4.27Å; L418-L422 WeakPolarHBondContact O-CG 2.77Å; L418-L422 PolarHBondContact O-N 3.3Å; L418-I483 HydrophobicContact CD1-CG2 3.46Å; L418-I483 VanDerWaalsContact CD1-CG2 3.46Å; L418-K487 HydrophobicContact CD1-CG 4.38Å
419	Y	86	Confident	84.1	Confident	21 Å²	21	57 Å²	57	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-41.9	176.4	176.4	-97.9	0	0	0	113	L373 I376 D377 V415 E417 E421 L422 K423	L373-Y419 HydrophobicContact CB-CD2 4.39Å; L373-Y419 HydrophobicContact CB-CE2 3.35Å; L373-Y419 HydrophobicContact CD1-CD2 4.26Å; L373-Y419 HydrophobicContact CD1-CE2 3.81Å; L373-Y419 HydrophobicContact CD2-CD2 3.69Å; L373-Y419 HydrophobicContact CD2-CE2 3.51Å; L373-Y419 HydrophobicContact CG-CD2 4.3Å; L373-Y419 HydrophobicContact CG-CE2 3.69Å; L373-Y419 WeakPolarHBondContact O-CE2 3.43Å; L373-Y419 PolarHBondContact O-OH 3.4Å; I376-Y419 VanDerWaalsContact C-OH 3.28Å; I376-Y419 HydrophobicContact CB-CE1 4.48Å; I376-Y419 HydrophobicContact CB-CE2 4.43Å; I376-Y419 VanDerWaalsContact CD1-CB 3.48Å; I376-Y419 HydrophobicContact CD1-CD1 3.55Å; I376-Y419 HydrophobicContact CD1-CD2 3.07Å; I376-Y419 HydrophobicContact CD1-CE1 4Å; I376-Y419 HydrophobicContact CD1-CE2 3.48Å; I376-Y419 VanDerWaalsContact CD1-CE2 3.48Å; I376-Y419 HydrophobicContact CD1-CG 3.05Å; I376-Y419 HydrophobicContact CG1-CD1 3.63Å; I376-Y419 HydrophobicContact CG1-CD2 3.29Å; I376-Y419 HydrophobicContact CG1-CE1 3.5Å; I376-Y419 VanDerWaalsContact CG1-CE1 3.5Å; I376-Y419 HydrophobicContact CG1-CE2 3.04Å; I376-Y419 HydrophobicContact CG1-CG 3.53Å; I376-Y419 PolarHBondContact O-OH 2.95Å; D377-Y419 WeakPolarHBondContact CA-OH 3.35Å; D377-Y419 WeakPolarHBondContact CB-OH 2.75Å; D377-Y419 PolarHBondContact N-OH 2.95Å; D377-Y419 VanDerWaalsContact N-OH 3.17Å; V415-Y419 WeakPolarHBondContact O-CB 3.47Å; V415-Y419 PolarHBondContact O-N 3.16Å; E417-Y419 VanDerWaalsContact C-N 3.29Å; E417-Y419 PolarHBondContact O-N 3.45Å; Y419-E421 VanDerWaalsContact C-N 3.27Å; Y419-E421 PolarHBondContact O-N 2.91Å; Y419-L422 PolarHBondContact O-N 2.62Å; Y419-K423 HydrophobicContact CE1-CB 4.14Å; Y419-K423 HydrophobicContact CE1-CD 3.73Å; Y419-K423 WeakPolarHBondContact O-CB 3.37Å; Y419-K423 PolarHBondContact O-N 2.98Å
420	S	85.4	Confident	84	Confident	64 Å²	64	58.6 Å²	58.6	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-38.3	-179.8	-59.4	0	0	0	0	110.7	F416 E417 L418 N424	F416-S420 WeakPolarHBondContact O-CB 3.28Å; F416-S420 PolarHBondContact O-N 2.92Å; F416-S420 PolarHBondContact O-OG 3.1Å; E417-S420 WeakPolarHBondContact O-CB 3.39Å; E417-S420 PolarHBondContact O-N 2.91Å; L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.92Å; S420-N424 WeakPolarHBondContact O-CB 3.29Å; S420-N424 PolarHBondContact O-N 3.39Å
421	E	90.2	Very high	83.7	Confident	58 Å²	58	59.9 Å²	59.9	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-46.8	173.8	-60.6	173.8	164	0	0	111.5	E417 L418 Y419 K423 N424 I425 I483 K487	E417-E421 WeakPolarHBondContact O-CG 3.42Å; E417-E421 PolarHBondContact O-N 2.71Å; L418-E421 PolarHBondContact O-N 3.05Å; Y419-E421 VanDerWaalsContact C-N 3.27Å; Y419-E421 PolarHBondContact O-N 2.91Å; E421-K423 PolarHBondContact O-N 2.95Å; E421-N424 WeakPolarHBondContact O-CB 3.49Å; E421-N424 PolarHBondContact O-N 2.95Å; E421-I425 PolarHBondContact O-N 2.85Å; E421-I425 VanDerWaalsContact O-N 3.09Å; E421-I483 HydrophobicContact CB-CD1 3.67Å; E421-I483 WeakPolarHBondContact OE2-CG2 3.39Å; E421-K487 IonicContact OE1-NZ 3.33Å; E421-K487 PolarHBondContact OE1-NZ 3.02Å; E421-K487 WeakPolarHBondContact OE2-CE 3.46Å; E421-K487 IonicContact OE2-NZ 2.92Å; E421-K487 PolarHBondContact OE2-NZ 2.86Å
422	L	90.1	Very high	83.4	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-43.5	177.1	-66.3	172.8	0	0	0	112.4	L373 L418 Y419 N424 I425 Q426 T480	L373-L422 HydrophobicContact CD1-CB 4.1Å; L373-L422 HydrophobicContact CD2-CB 4.42Å; L373-L422 HydrophobicContact CD2-CD1 4.5Å; L418-L422 HydrophobicContact CD1-CG 4.47Å; L418-L422 HydrophobicContact CG-CD1 4.27Å; L418-L422 WeakPolarHBondContact O-CG 2.77Å; L418-L422 PolarHBondContact O-N 3.3Å; Y419-L422 PolarHBondContact O-N 2.62Å; L422-N424 VanDerWaalsContact C-N 3.29Å; L422-N424 PolarHBondContact O-N 2.84Å; L422-I425 WeakPolarHBondContact O-CB 3.13Å; L422-I425 PolarHBondContact O-N 3.41Å; L422-Q426 PolarHBondContact O-N 2.95Å; L422-Q426 VanDerWaalsContact O-N 3.08Å; L422-T480 HydrophobicContact CD2-CG2 3.69Å
423	K	87.1	Confident	83.3	Confident	26 Å²	26	66.4 Å²	66.4	11%	0.113	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-39.8	176.3	-176	171.7	-171.1	163.5	0	111.4	L373 D377 Y419 E421 I425 Q426 K427	L373-K423 HydrophobicContact CD1-CB 3.93Å; D377-K423 IonicContact OD1-NZ 3.91Å; D377-K423 PolarHBondContact OD1-NZ 2.97Å; D377-K423 IonicContact OD2-NZ 2.73Å; Y419-K423 HydrophobicContact CE1-CB 4.14Å; Y419-K423 HydrophobicContact CE1-CD 3.73Å; Y419-K423 WeakPolarHBondContact O-CB 3.37Å; Y419-K423 PolarHBondContact O-N 2.98Å; E421-K423 PolarHBondContact O-N 2.95Å; K423-I425 VanDerWaalsContact C-N 3.32Å; K423-I425 PolarHBondContact O-N 2.68Å; K423-Q426 PolarHBondContact O-N 2.97Å; K423-K427 HydrophobicContact CG-CD 4.43Å; K423-K427 WeakPolarHBondContact O-CG 3.32Å; K423-K427 PolarHBondContact O-N 3Å
424	N	88.5	Confident	83.5	Confident	98 Å²	98	65.6 Å²	65.6	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-37.8	176.8	-172.7	54.3	0	0	0	111.7	S420 E421 L422 K427 T428	S420-N424 WeakPolarHBondContact O-CB 3.29Å; S420-N424 PolarHBondContact O-N 3.39Å; E421-N424 WeakPolarHBondContact O-CB 3.49Å; E421-N424 PolarHBondContact O-N 2.95Å; L422-N424 VanDerWaalsContact C-N 3.29Å; L422-N424 PolarHBondContact O-N 2.84Å; N424-K427 PolarHBondContact O-N 2.86Å; N424-T428 WeakPolarHBondContact O-CB 3.35Å; N424-T428 VanDerWaalsContact O-CG2 3.32Å; N424-T428 WeakPolarHBondContact O-CG2 3.21Å; N424-T428 PolarHBondContact O-N 3.18Å; N424-T428 PolarHBondContact O-OG1 3.1Å
425	I	89.1	Confident	83.7	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-59.2	-52.4	172	-67.8	170.1	0	0	0	110.4	E421 L422 K423 K427 T428 T429 A476 R479 I483	E421-I425 PolarHBondContact O-N 2.85Å; E421-I425 VanDerWaalsContact O-N 3.09Å; L422-I425 WeakPolarHBondContact O-CB 3.13Å; L422-I425 PolarHBondContact O-N 3.41Å; K423-I425 VanDerWaalsContact C-N 3.32Å; K423-I425 PolarHBondContact O-N 2.68Å; I425-K427 PolarHBondContact O-N 3.03Å; I425-T428 PolarHBondContact O-N 2.89Å; I425-T428 PolarHBondContact O-OG1 2.79Å; I425-T429 WeakPolarHBondContact O-CB 3.4Å; I425-T429 PolarHBondContact O-N 2.93Å; I425-T429 PolarHBondContact O-OG1 3.03Å; I425-A476 VanDerWaalsContact CG2-CA 3.46Å; I425-A476 HydrophobicContact CG2-CB 3.62Å; I425-R479 HydrophobicContact CD1-CB 3.59Å; I425-R479 HydrophobicContact CG1-CB 3.99Å; I425-R479 HydrophobicContact CG2-CB 4.17Å; I425-I483 HydrophobicContact CD1-CD1 3.29Å; I425-I483 HydrophobicContact CD1-CG1 4.25Å; I425-I483 HydrophobicContact CG1-CD1 4.25Å
426	Q	85.3	Confident	83.9	Confident	73 Å²	73	69.3 Å²	69.3	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-33.8	-178.2	-67.7	-175	2.5	0	0	112.7	G371 L373 L422 K423	G371-Q426 PolarHBondContact O-NE2 3.03Å; L373-Q426 HydrophobicContact CD1-CG 4.38Å; L422-Q426 PolarHBondContact O-N 2.95Å; L422-Q426 VanDerWaalsContact O-N 3.08Å; K423-Q426 PolarHBondContact O-N 2.97Å
427	K	84.8	Confident	84.2	Confident	125 Å²	125	69.5 Å²	69.5	54%	0.543	36%	0.363	S	S	.	.	H	α-helix	trans	-76.2	-33.5	177.4	-74.8	-170.8	172.8	-159.6	0	114.3	E379 K423 N424 I425	E379-K427 IonicContact OE1-NZ 2.75Å; E379-K427 PolarHBondContact OE1-NZ 2.93Å; K423-K427 HydrophobicContact CG-CD 4.43Å; K423-K427 WeakPolarHBondContact O-CG 3.32Å; K423-K427 PolarHBondContact O-N 3Å; N424-K427 PolarHBondContact O-N 2.86Å; I425-K427 PolarHBondContact O-N 3.03Å
428	T	84.4	Confident	84.3	Confident	73 Å²	73	67.5 Å²	67.5	45%	0.448	36%	0.36	S	S	.	.	H	α-helix	trans	-93.8	-14.7	-174	55.1	0	0	0	0	113.5	N424 I425 V430	N424-T428 WeakPolarHBondContact O-CB 3.35Å; N424-T428 VanDerWaalsContact O-CG2 3.32Å; N424-T428 WeakPolarHBondContact O-CG2 3.21Å; N424-T428 PolarHBondContact O-N 3.18Å; N424-T428 PolarHBondContact O-OG1 3.1Å; I425-T428 PolarHBondContact O-N 2.89Å; I425-T428 PolarHBondContact O-OG1 2.79Å; T428-V430 PolarHBondContact O-N 2.62Å
429	T	81	Confident	84.3	Confident	15 Å²	15	66.6 Å²	66.6	9%	0.092	36%	0.355	C	S	.	.	S	Bend	trans	-74.7	125.4	178.7	-53.3	0	0	0	0	109.7	I425 P473 E475 A476	I425-T429 WeakPolarHBondContact O-CB 3.4Å; I425-T429 PolarHBondContact O-N 2.93Å; I425-T429 PolarHBondContact O-OG1 3.03Å; T429-P473 HydrophobicContact CG2-CB 3.62Å; T429-P473 HydrophobicContact CG2-CG 3.54Å; T429-E475 HydrophobicContact CG2-CB 4.05Å; T429-E475 HydrophobicContact CG2-CG 4.46Å; T429-A476 HydrophobicContact CG2-CB 3.95Å
430	V	72.5	Confident	84.5	Confident	110 Å²	110	71.2 Å²	71.2	67%	0.667	38%	0.381	S	S	*	.			trans	-69	134.5	174.2	-179.9	0	0	0	0	107.7	T428 S432	T428-V430 PolarHBondContact O-N 2.62Å; V430-S432 PolarHBondContact O-N 3.05Å
431	V	71.1	Confident	84.7	Confident	134 Å²	134	70.4 Å²	70.4	81%	0.812	37%	0.368	S	S	*	.			trans	-55.1	109.1	172.9	-179.2	0	0	0	0	107.9
432	S	70.3	Confident	84.8	Confident	43 Å²	43	67.6 Å²	67.6	30%	0.301	36%	0.355	S	S	.	.			trans	-109.9	149	178.9	67.2	0	0	0	0	109.1	V430 P473	V430-S432 PolarHBondContact O-N 3.05Å; S432-P473 WeakPolarHBondContact OG-CB 3.3Å
433	E	76.6	Confident	84.8	Confident	183 Å²	183	70 Å²	70	86%	0.855	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-55.4	149.4	170	-66.5	177.6	175.7	0	0	110.8	K435	E433-K435 PolarHBondContact O-N 3.14Å
434	S	84.4	Confident	85.1	Confident	64 Å²	64	73.7 Å²	73.7	45%	0.448	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-62.1	133.2	176.1	59.2	0	0	0	0	110.3
435	K	88.8	Confident	85.2	Confident	84 Å²	84	71.7 Å²	71.7	37%	0.365	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.2	179.7	-174.3	178.7	-176.5	178.2	0	110.4	E433 V437 T470 I471 E474	E433-K435 PolarHBondContact O-N 3.14Å; K435-V437 HydrophobicContact CD-CG1 4.26Å; K435-V437 HydrophobicContact CG-CG1 4.08Å; K435-T470 CarbonylContact O-C 3.52Å; K435-T470 VanDerWaalsContact O-CA 3.29Å; K435-T470 WeakPolarHBondContact O-CA 3.37Å; K435-I471 PolarHBondContact N-O 3.49Å; K435-I471 PolarHBondContact O-N 3.15Å; K435-E474 HydrophobicContact CD-CB 4.47Å; K435-E474 HydrophobicContact CD-CG 4.31Å; K435-E474 WeakPolarHBondContact CD-OE1 3.3Å; K435-E474 WeakPolarHBondContact CD-OE2 3.28Å; K435-E474 WeakPolarHBondContact CE-OE1 3.37Å; K435-E474 WeakPolarHBondContact CE-OE2 3.48Å; K435-E474 IonicContact NZ-OE1 3.39Å; K435-E474 PolarHBondContact NZ-OE1 2.8Å; K435-E474 IonicContact NZ-OE2 2.8Å; K435-E474 PolarHBondContact NZ-OE2 3.28Å
436	R	88.7	Confident	85.4	Confident	110 Å²	110	71.2 Å²	71.2	42%	0.415	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.5	168.9	-71.2	-173.8	-179.6	-153.7	-1.1	110.4	D357 E468 F469 T470	D357-R436 IonicContact OD2-CZ 2.77Å; D357-R436 IonicContact OD2-NH2 2.63Å; D357-R436 PolarHBondContact OD2-NH2 3.03Å; R436-E468 IonicContact CZ-OE2 3.05Å; R436-E468 IonicContact NE-OE2 2.78Å; R436-E468 IonicContact NH1-OE2 3.81Å; R436-E468 PolarHBondContact NH1-OE2 3.24Å; R436-F469 CarbonylContact C-O 3.55Å; R436-F469 VanDerWaalsContact CA-O 3.31Å; R436-F469 WeakPolarHBondContact CA-O 3.49Å; R436-T470 HydrophobicContact CG-CG2 3.81Å
437	V	89.5	Confident	85.6	Confident	15 Å²	15	71.7 Å²	71.7	9%	0.091	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.7	-179.5	-55.9	0	0	0	0	110.8	K435 Y441 L442 F469 I471	K435-V437 HydrophobicContact CD-CG1 4.26Å; K435-V437 HydrophobicContact CG-CG1 4.08Å; V437-Y441 HydrophobicContact CB-CD1 3.59Å; V437-Y441 HydrophobicContact CB-CE1 4.33Å; V437-Y441 HydrophobicContact CB-CG 3.84Å; V437-Y441 HydrophobicContact CG1-CD1 3.59Å; V437-Y441 HydrophobicContact CG1-CE1 3.82Å; V437-Y441 HydrophobicContact CG1-CG 4.05Å; V437-Y441 HydrophobicContact CG2-CD1 4.04Å; V437-L442 HydrophobicContact CG2-CD2 4.07Å; V437-L442 HydrophobicContact CG2-CG 4.42Å; V437-F469 HydrophobicContact CG2-CB 3.68Å; V437-F469 PolarHBondContact N-O 2.79Å; V437-F469 PolarHBondContact O-N 3.37Å; V437-I471 HydrophobicContact CG1-CD1 4.1Å; V437-I471 HydrophobicContact CG1-CG1 4.35Å; V437-I471 HydrophobicContact CG2-CD1 3.76Å; V437-I471 HydrophobicContact CG2-CG1 3.78Å
438	S	88.2	Confident	85.8	Confident	65 Å²	65	66.3 Å²	66.3	46%	0.455	37%	0.368	S	S	.	.			trans	-89.9	166	174.9	62.8	0	0	0	0	111.9	D440 Y441 L442	S438-D440 VanDerWaalsContact C-N 3.29Å; S438-D440 PolarHBondContact O-N 3.14Å; S438-Y441 VanDerWaalsContact O-CB 3.25Å; S438-Y441 WeakPolarHBondContact O-CB 3.27Å; S438-Y441 PolarHBondContact O-N 3.31Å; S438-Y441 VanDerWaalsContact O-N 3.1Å; S438-Y441 PolarHBondContact OG-N 2.68Å; S438-L442 PolarHBondContact O-N 3.3Å
439	H	88.5	Confident	86.1	Confident	22 Å²	22	63 Å²	63	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-54.4	-45.1	169.9	-178.7	-97.7	0	0	0	112.2	Y441 L442 T443 D452 F469	H439-Y441 PolarHBondContact O-N 3.24Å; H439-L442 WeakPolarHBondContact O-CB 3.45Å; H439-L442 PolarHBondContact O-N 3.2Å; H439-T443 PolarHBondContact O-N 3.49Å; H439-T443 VanDerWaalsContact O-N 3.15Å; H439-T443 PolarHBondContact O-OG1 3.04Å; H439-D452 VanDerWaalsContact CE1-CG 3.48Å; H439-D452 IonicContact CE1-OD1 3Å; H439-D452 PolarHBondContact CE1-OD1 2.92Å; H439-D452 IonicContact CE1-OD2 3.63Å; H439-D452 IonicContact NE2-OD1 3.26Å; H439-D452 PolarHBondContact NE2-OD1 3.02Å; H439-F469 HydrophobicContact CB-CE2 3.92Å
440	D	89.3	Confident	86.7	Confident	117 Å²	117	66 Å²	66	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-57.7	-33.1	177.5	-68	-15.1	0	0	0	112.7	S438 T444	S438-D440 VanDerWaalsContact C-N 3.29Å; S438-D440 PolarHBondContact O-N 3.14Å; D440-T444 VanDerWaalsContact O-CB 3.27Å; D440-T444 WeakPolarHBondContact O-CB 3.38Å; D440-T444 PolarHBondContact O-N 3.5Å; D440-T444 PolarHBondContact O-OG1 3.09Å
441	Y	91.4	Very high	87.6	Confident	47 Å²	47	60.8 Å²	60.8	18%	0.184	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-42.1	176.4	-175.9	-87.4	0	0	0	111.6	V437 S438 H439 T444 N445 I471 E474 W477 Q478	V437-Y441 HydrophobicContact CB-CD1 3.59Å; V437-Y441 HydrophobicContact CB-CE1 4.33Å; V437-Y441 HydrophobicContact CB-CG 3.84Å; V437-Y441 HydrophobicContact CG1-CD1 3.59Å; V437-Y441 HydrophobicContact CG1-CE1 3.82Å; V437-Y441 HydrophobicContact CG1-CG 4.05Å; V437-Y441 HydrophobicContact CG2-CD1 4.04Å; S438-Y441 VanDerWaalsContact O-CB 3.25Å; S438-Y441 WeakPolarHBondContact O-CB 3.27Å; S438-Y441 PolarHBondContact O-N 3.31Å; S438-Y441 VanDerWaalsContact O-N 3.1Å; S438-Y441 PolarHBondContact OG-N 2.68Å; H439-Y441 PolarHBondContact O-N 3.24Å; Y441-T444 PolarHBondContact O-N 3.13Å; Y441-N445 WeakPolarHBondContact CD2-ND2 3.4Å; Y441-N445 HydrophobicContact CE1-CB 4.34Å; Y441-N445 WeakPolarHBondContact CE1-ND2 3.33Å; Y441-N445 WeakPolarHBondContact CE2-ND2 3.36Å; Y441-N445 WeakPolarHBondContact O-CB 3.13Å; Y441-N445 PolarHBondContact O-N 2.83Å; Y441-N445 PolarHBondContact O-ND2 2.92Å; Y441-I471 HydrophobicContact CD1-CD1 4.35Å; Y441-I471 HydrophobicContact CE1-CD1 4.14Å; Y441-E474 PolarHBondContact OH-OE1 2.93Å; Y441-W477 AromaticContact CE1-CZ3 4Å; Y441-W477 HydrophobicContact CE1-CZ3 4Å; Y441-Q478 PolarHBondContact OH-NE2 3.21Å
442	L	91.2	Very high	88.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-49	177.5	-60.7	177.6	0	0	0	111.2	I368 V437 S438 H439 T444 N445 C446 W451 F469 I471 W477	I368-L442 HydrophobicContact CD1-CD1 3.84Å; I368-L442 HydrophobicContact CD1-CD2 3.64Å; I368-L442 HydrophobicContact CD1-CG 4.42Å; V437-L442 HydrophobicContact CG2-CD2 4.07Å; V437-L442 HydrophobicContact CG2-CG 4.42Å; S438-L442 PolarHBondContact O-N 3.3Å; H439-L442 WeakPolarHBondContact O-CB 3.45Å; H439-L442 PolarHBondContact O-N 3.2Å; L442-T444 VanDerWaalsContact C-N 3.28Å; L442-T444 PolarHBondContact O-N 3.43Å; L442-N445 PolarHBondContact O-N 2.73Å; L442-C446 PolarHBondContact O-N 2.88Å; L442-W451 HydrophobicContact CB-CD2 3.85Å; L442-W451 HydrophobicContact CB-CE3 4.45Å; L442-W451 HydrophobicContact CB-CG 3.9Å; L442-W451 HydrophobicContact CD1-CD2 4.18Å; L442-W451 HydrophobicContact CD1-CE3 3.95Å; L442-W451 HydrophobicContact CD1-CZ3 4.31Å; L442-W451 PolarHBondContact O-NE1 2.89Å; L442-F469 HydrophobicContact CD1-CB 4.43Å; L442-F469 HydrophobicContact CD1-CD1 3.7Å; L442-F469 HydrophobicContact CD1-CD2 4.22Å; L442-F469 HydrophobicContact CD1-CE1 3.96Å; L442-F469 HydrophobicContact CD1-CE2 4.48Å; L442-F469 HydrophobicContact CD1-CG 3.85Å; L442-F469 HydrophobicContact CD1-CZ 4.36Å; L442-I471 HydrophobicContact CD2-CD1 3.73Å; L442-I471 HydrophobicContact CD2-CG1 4.4Å; L442-W477 HydrophobicContact CD2-CH2 4Å; L442-W477 HydrophobicContact CD2-CZ2 3.69Å
443	T	91.2	Very high	89.4	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-34	179.9	-56.5	0	0	0	0	112.2	H439 P447	H439-T443 PolarHBondContact O-N 3.49Å; H439-T443 VanDerWaalsContact O-N 3.15Å; H439-T443 PolarHBondContact O-OG1 3.04Å; T443-P447 WeakPolarHBondContact O-CA 3.3Å; T443-P447 WeakPolarHBondContact O-CB 2.91Å
444	T	91.9	Very high	90.2	Very high	105 Å²	105	48.4 Å²	48.4	64%	0.644	27%	0.265	S	S	*	.	H	α-helix	trans	-76.3	-43.6	178.9	-57.4	0	0	0	0	112.6	D440 Y441 L442	D440-T444 VanDerWaalsContact O-CB 3.27Å; D440-T444 WeakPolarHBondContact O-CB 3.38Å; D440-T444 PolarHBondContact O-N 3.5Å; D440-T444 PolarHBondContact O-OG1 3.09Å; Y441-T444 PolarHBondContact O-N 3.13Å; L442-T444 VanDerWaalsContact C-N 3.28Å; L442-T444 PolarHBondContact O-N 3.43Å
445	N	91.2	Very high	90.4	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-92.4	-16.1	-172.4	-64.7	-70.4	0	0	0	113.9	Y441 L442 W477	Y441-N445 WeakPolarHBondContact CD2-ND2 3.4Å; Y441-N445 HydrophobicContact CE1-CB 4.34Å; Y441-N445 WeakPolarHBondContact CE1-ND2 3.33Å; Y441-N445 WeakPolarHBondContact CE2-ND2 3.36Å; Y441-N445 WeakPolarHBondContact O-CB 3.13Å; Y441-N445 PolarHBondContact O-N 2.83Å; Y441-N445 PolarHBondContact O-ND2 2.92Å; L442-N445 PolarHBondContact O-N 2.73Å; N445-W477 HydrophobicContact CB-CH2 3.85Å; N445-W477 HydrophobicContact CB-CZ3 3.65Å
446	C	92.3	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.			trans	-138	62.9	174.1	-161.8	0	0	0	0	111.1	L442 I448 I449 W451 W477 C481	L442-C446 PolarHBondContact O-N 2.88Å; C446-I448 PolarHBondContact O-N 2.91Å; C446-I448 VanDerWaalsContact O-N 3.1Å; C446-I449 PolarHBondContact O-N 3.1Å; C446-W451 HydrophobicContact CB-CZ2 4.17Å; C446-W451 PolarHBondContact O-NE1 3.04Å; C446-W451 VanDerWaalsContact O-NE1 3.08Å; C446-W477 HydrophobicContact CB-CH2 3.51Å; C446-W477 HydrophobicContact CB-CZ2 3.4Å; C446-W477 VanDerWaalsContact CB-CZ2 3.4Å; C446-W477 HydrophobicContact CB-CZ3 4.45Å; C446-C481 HydrophobicContact CB-CB 3.73Å; C446-C481 WeakPolarHBondContact CB-SG 3.22Å; C446-C481 WeakPolarHBondContact SG-CB 3.38Å; C446-C481 CovalentContact SG-SG 2.04Å; C446-C481 PolarHBondContact SG-SG 3.03Å
447	P	91.2	Very high	90.3	Very high	83 Å²	83	44.5 Å²	44.5	54%	0.539	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.3	-174.4	30.3	-37.3	0	0	0	113.7	T443 I449 K495	T443-P447 WeakPolarHBondContact O-CA 3.3Å; T443-P447 WeakPolarHBondContact O-CB 2.91Å; P447-I449 PolarHBondContact O-N 2.97Å; P447-K495 PolarHBondContact O-NZ 2.95Å
448	I	88.5	Confident	90.2	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.056	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.4	177.5	-160.8	172.1	0	0	0	112.1	L333 C446 L484 I488 K495	L333-I448 HydrophobicContact CD2-CD1 3.99Å; L333-I448 HydrophobicContact CD2-CG1 3.91Å; L333-I448 HydrophobicContact CD2-CG2 4.07Å; C446-I448 PolarHBondContact O-N 2.91Å; C446-I448 VanDerWaalsContact O-N 3.1Å; I448-L484 HydrophobicContact CD1-CB 4.14Å; I448-L484 WeakPolarHBondContact CD1-O 3.4Å; I448-I488 HydrophobicContact CD1-CB 4.24Å; I448-I488 HydrophobicContact CD1-CD1 3.3Å; I448-I488 HydrophobicContact CD1-CG1 4.18Å; I448-I488 HydrophobicContact CG1-CD1 3.98Å; I448-K495 PolarHBondContact O-NZ 2.59Å; I448-K495 VanDerWaalsContact O-NZ 3.15Å
449	I	91.4	Very high	89.9	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-98	131.7	175.6	-59.1	173.2	0	0	0	108.5	L333 L337 F350 C446 P447 W451 L454	L333-I449 HydrophobicContact CD2-CG1 4.35Å; L337-I449 HydrophobicContact CD1-CD1 4.24Å; L337-I449 HydrophobicContact CD1-CG1 4.46Å; F350-I449 HydrophobicContact CD1-CD1 4.33Å; F350-I449 HydrophobicContact CE1-CD1 3.49Å; F350-I449 VanDerWaalsContact CE1-CD1 3.49Å; F350-I449 HydrophobicContact CZ-CD1 4.04Å; C446-I449 PolarHBondContact O-N 3.1Å; P447-I449 PolarHBondContact O-N 2.97Å; I449-W451 HydrophobicContact CB-CZ2 4.32Å; I449-W451 HydrophobicContact CD1-CH2 4.31Å; I449-W451 HydrophobicContact CD1-CZ2 3.88Å; I449-W451 HydrophobicContact CG2-CD2 4.1Å; I449-W451 HydrophobicContact CG2-CG 4.36Å; I449-W451 HydrophobicContact CG2-CZ2 4.38Å; I449-W451 VanDerWaalsContact O-CD1 3.27Å; I449-W451 PolarHBondContact O-N 3.04Å; I449-L454 HydrophobicContact CG2-CB 4.39Å; I449-L454 HydrophobicContact CG2-CD1 3.55Å
450	D	92.4	Very high	89.2	Confident	77 Å²	77	46.7 Å²	46.7	41%	0.412	26%	0.264	S	S	.	.			trans	-82.1	89.9	169.3	-174.5	-31	0	0	0	107.8	T334 D452 V453 L454	T334-D450 HydrophobicContact CG2-CB 4.34Å; T334-D450 PolarHBondContact OG1-N 2.96Å; D450-D452 VanDerWaalsContact C-N 3.3Å; D450-D452 PolarHBondContact O-N 3.38Å; D450-D452 PolarHBondContact OD1-N 3.21Å; D450-V453 HydrophobicContact CB-CB 4.09Å; D450-V453 HydrophobicContact CB-CG2 4.27Å; D450-V453 PolarHBondContact O-N 3.2Å; D450-V453 WeakPolarHBondContact OD1-CB 3.27Å; D450-V453 VanDerWaalsContact OD1-CG2 3.31Å; D450-V453 WeakPolarHBondContact OD1-CG2 3.49Å; D450-V453 PolarHBondContact OD1-N 3.26Å; D450-V453 WeakPolarHBondContact OD2-CG2 3.44Å; D450-L454 VanDerWaalsContact O-CB 3.31Å; D450-L454 WeakPolarHBondContact O-CB 3.36Å; D450-L454 PolarHBondContact O-N 3.05Å
451	W	91.3	Very high	88	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-35.6	-175.5	-68.9	95.3	0	0	0	112.4	F350 I368 L442 C446 I449 L454 L455 W477	F350-W451 HydrophobicContact CE2-CH2 4.38Å; F350-W451 HydrophobicContact CE2-CZ3 4.4Å; F350-W451 HydrophobicContact CZ-CH2 4.38Å; I368-W451 HydrophobicContact CD1-CH2 4.12Å; I368-W451 HydrophobicContact CD1-CZ3 3.91Å; L442-W451 HydrophobicContact CB-CD2 3.85Å; L442-W451 HydrophobicContact CB-CE3 4.45Å; L442-W451 HydrophobicContact CB-CG 3.9Å; L442-W451 HydrophobicContact CD1-CD2 4.18Å; L442-W451 HydrophobicContact CD1-CE3 3.95Å; L442-W451 HydrophobicContact CD1-CZ3 4.31Å; L442-W451 PolarHBondContact O-NE1 2.89Å; C446-W451 HydrophobicContact CB-CZ2 4.17Å; C446-W451 PolarHBondContact O-NE1 3.04Å; C446-W451 VanDerWaalsContact O-NE1 3.08Å; I449-W451 HydrophobicContact CB-CZ2 4.32Å; I449-W451 HydrophobicContact CD1-CH2 4.31Å; I449-W451 HydrophobicContact CD1-CZ2 3.88Å; I449-W451 HydrophobicContact CG2-CD2 4.1Å; I449-W451 HydrophobicContact CG2-CG 4.36Å; I449-W451 HydrophobicContact CG2-CZ2 4.38Å; I449-W451 VanDerWaalsContact O-CD1 3.27Å; I449-W451 PolarHBondContact O-N 3.04Å; W451-L454 PolarHBondContact O-N 3.22Å; W451-L455 VanDerWaalsContact O-CB 3.29Å; W451-L455 WeakPolarHBondContact O-CB 3.48Å; W451-L455 WeakPolarHBondContact O-CG 3.39Å; W451-L455 PolarHBondContact O-N 3.06Å; W451-W477 HydrophobicContact CH2-CZ2 4.3Å; W451-W477 AromaticContact CH2-NE1 3.96Å; W451-W477 AromaticContact CZ2-CZ2 3.68Å; W451-W477 HydrophobicContact CZ2-CZ2 3.68Å
452	D	89.2	Confident	86.3	Confident	60 Å²	60	50.4 Å²	50.4	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-48.7	175.4	-71	-59	0	0	0	111.2	H439 D450 R456 Y464	H439-D452 VanDerWaalsContact CE1-CG 3.48Å; H439-D452 IonicContact CE1-OD1 3Å; H439-D452 PolarHBondContact CE1-OD1 2.92Å; H439-D452 IonicContact CE1-OD2 3.63Å; H439-D452 IonicContact NE2-OD1 3.26Å; H439-D452 PolarHBondContact NE2-OD1 3.02Å; D450-D452 VanDerWaalsContact C-N 3.3Å; D450-D452 PolarHBondContact O-N 3.38Å; D450-D452 PolarHBondContact OD1-N 3.21Å; D452-R456 WeakPolarHBondContact O-CB 3.32Å; D452-R456 PolarHBondContact O-N 3.18Å; D452-R456 VanDerWaalsContact O-N 3.16Å; D452-R456 PolarHBondContact O-NH1 3.34Å; D452-Y464 PolarHBondContact O-OH 3Å; D452-Y464 PolarHBondContact OD1-OH 2.9Å
453	V	90.6	Very high	85.1	Confident	40 Å²	40	52.5 Å²	52.5	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-44.2	175.8	172.5	0	0	0	0	110.5	T334 D450 N457	T334-V453 HydrophobicContact CG2-CB 4.29Å; T334-V453 HydrophobicContact CG2-CG1 4.06Å; D450-V453 HydrophobicContact CB-CB 4.09Å; D450-V453 HydrophobicContact CB-CG2 4.27Å; D450-V453 PolarHBondContact O-N 3.2Å; D450-V453 WeakPolarHBondContact OD1-CB 3.27Å; D450-V453 VanDerWaalsContact OD1-CG2 3.31Å; D450-V453 WeakPolarHBondContact OD1-CG2 3.49Å; D450-V453 PolarHBondContact OD1-N 3.26Å; D450-V453 WeakPolarHBondContact OD2-CG2 3.44Å; V453-N457 WeakPolarHBondContact O-CB 3.49Å; V453-N457 PolarHBondContact O-N 3.21Å; V453-N457 VanDerWaalsContact O-N 3.15Å; V453-N457 PolarHBondContact O-ND2 2.94Å
454	L	92.7	Very high	84.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-55.1	-177.3	-168.7	148.5	0	0	0	111.6	T334 L338 L341 F350 L352 I449 D450 W451 N457 V458	T334-L454 HydrophobicContact CG2-CB 3.86Å; T334-L454 HydrophobicContact CG2-CD1 4.37Å; T334-L454 HydrophobicContact CG2-CG 4.48Å; L338-L454 HydrophobicContact CD2-CG 4.39Å; L341-L454 HydrophobicContact CD1-CD1 3.71Å; L341-L454 HydrophobicContact CD1-CD2 3.94Å; L341-L454 HydrophobicContact CD1-CG 3.94Å; F350-L454 HydrophobicContact CE2-CD1 4.45Å; F350-L454 HydrophobicContact CZ-CD1 3.84Å; L352-L454 HydrophobicContact CD1-CD2 3.65Å; I449-L454 HydrophobicContact CG2-CB 4.39Å; I449-L454 HydrophobicContact CG2-CD1 3.55Å; D450-L454 VanDerWaalsContact O-CB 3.31Å; D450-L454 WeakPolarHBondContact O-CB 3.36Å; D450-L454 PolarHBondContact O-N 3.05Å; W451-L454 PolarHBondContact O-N 3.22Å; L454-N457 PolarHBondContact O-N 3.02Å; L454-V458 HydrophobicContact CD2-CG2 4.12Å; L454-V458 WeakPolarHBondContact O-CG2 3.46Å; L454-V458 PolarHBondContact O-N 3.03Å
455	L	89	Confident	82.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-42.2	-175	-65.9	173.7	0	0	0	111.8	I366 W451 N457 V458 F459 Y464 F469	I366-L455 HydrophobicContact CD1-CD2 4.03Å; W451-L455 VanDerWaalsContact O-CB 3.29Å; W451-L455 WeakPolarHBondContact O-CB 3.48Å; W451-L455 WeakPolarHBondContact O-CG 3.39Å; W451-L455 PolarHBondContact O-N 3.06Å; L455-N457 VanDerWaalsContact C-N 3.28Å; L455-N457 PolarHBondContact O-N 3.4Å; L455-V458 PolarHBondContact O-N 3.21Å; L455-F459 HydrophobicContact CB-CD2 4.46Å; L455-F459 HydrophobicContact CD2-CD2 3.98Å; L455-F459 HydrophobicContact CD2-CE2 3.68Å; L455-F459 PolarHBondContact O-N 3.02Å; L455-Y464 HydrophobicContact CB-CD1 4.42Å; L455-Y464 HydrophobicContact CB-CD2 3.79Å; L455-Y464 HydrophobicContact CB-CE2 4.07Å; L455-Y464 HydrophobicContact CB-CG 4Å; L455-Y464 HydrophobicContact CD1-CD2 3.73Å; L455-Y464 HydrophobicContact CD1-CE2 4.19Å; L455-Y464 HydrophobicContact CG-CD2 4.44Å; L455-F469 HydrophobicContact CD1-CE1 3.56Å; L455-F469 HydrophobicContact CD1-CZ 3.55Å; L455-F469 HydrophobicContact CD2-CE1 4.03Å; L455-F469 HydrophobicContact CG-CE1 4.47Å
456	R	88.2	Confident	81.9	Confident	107 Å²	107	54 Å²	54	40%	0.404	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-40.2	175.5	-178.5	174	59.9	-103.6	4.9	112	D452 G460 Y464	D452-R456 WeakPolarHBondContact O-CB 3.32Å; D452-R456 PolarHBondContact O-N 3.18Å; D452-R456 VanDerWaalsContact O-N 3.16Å; D452-R456 PolarHBondContact O-NH1 3.34Å; R456-G460 VanDerWaalsContact O-CA 3.29Å; R456-G460 WeakPolarHBondContact O-CA 3.27Å; R456-G460 PolarHBondContact O-N 3.47Å; R456-G460 VanDerWaalsContact O-N 3.07Å; R456-Y464 HydrophobicContact CB-CE1 3.86Å
457	N	87.9	Confident	81.1	Confident	69 Å²	69	55.5 Å²	55.5	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-70.6	-51.4	177.2	-83.9	-80	0	0	0	110.7	L338 F342 V453 L454 L455	L338-N457 HydrophobicContact CD1-CB 4.02Å; L338-N457 HydrophobicContact CD2-CB 3.54Å; L338-N457 HydrophobicContact CG-CB 4.44Å; F342-N457 WeakPolarHBondContact CE1-O 3.49Å; F342-N457 HydrophobicContact CE2-CB 4.03Å; F342-N457 HydrophobicContact CZ-CB 3.71Å; F342-N457 WeakPolarHBondContact CZ-O 3.42Å; V453-N457 WeakPolarHBondContact O-CB 3.49Å; V453-N457 PolarHBondContact O-N 3.21Å; V453-N457 VanDerWaalsContact O-N 3.15Å; V453-N457 PolarHBondContact O-ND2 2.94Å; L454-N457 PolarHBondContact O-N 3.02Å; L455-N457 VanDerWaalsContact C-N 3.28Å; L455-N457 PolarHBondContact O-N 3.4Å
458	V	87	Confident	80.6	Confident	33 Å²	33	55.3 Å²	55.3	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-44.3	-174.4	173.8	0	0	0	0	112.6	L338 L341 L352 L454 L455	L338-V458 HydrophobicContact CD2-CG2 3.98Å; L341-V458 HydrophobicContact CB-CG2 3.97Å; L341-V458 HydrophobicContact CD1-CG2 4.3Å; L352-V458 HydrophobicContact CD1-CG1 4.44Å; L454-V458 HydrophobicContact CD2-CG2 4.12Å; L454-V458 WeakPolarHBondContact O-CG2 3.46Å; L454-V458 PolarHBondContact O-N 3.03Å; L455-V458 PolarHBondContact O-N 3.21Å
459	F	82	Confident	80.6	Confident	48 Å²	48	54.8 Å²	54.8	21%	0.211	29%	0.289	C	S	.	.	H	α-helix	trans	-101.9	-9.7	-173.3	-60.7	-68.6	0	0	0	114.2	L352 L354 I366 L455 N461 W467	L352-F459 HydrophobicContact CB-CZ 4.31Å; L352-F459 HydrophobicContact CD1-CE2 4.24Å; L352-F459 HydrophobicContact CD1-CZ 4.41Å; L354-F459 HydrophobicContact CB-CE1 4.26Å; L354-F459 HydrophobicContact CD1-CE1 4.25Å; I366-F459 HydrophobicContact CD1-CD2 3.76Å; I366-F459 HydrophobicContact CD1-CE2 3.37Å; I366-F459 HydrophobicContact CD1-CZ 3.88Å; I366-F459 HydrophobicContact CG1-CE2 3.93Å; I366-F459 HydrophobicContact CG1-CZ 3.88Å; I366-F459 HydrophobicContact CG2-CE2 4.24Å; I366-F459 HydrophobicContact CG2-CZ 4.08Å; L455-F459 HydrophobicContact CB-CD2 4.46Å; L455-F459 HydrophobicContact CD2-CD2 3.98Å; L455-F459 HydrophobicContact CD2-CE2 3.68Å; L455-F459 PolarHBondContact O-N 3.02Å; F459-N461 PolarHBondContact O-N 2.98Å; F459-W467 HydrophobicContact CB-CH2 4.29Å; F459-W467 HydrophobicContact CB-CZ3 4.14Å; F459-W467 HydrophobicContact CD1-CZ3 4.12Å; F459-W467 HydrophobicContact CD2-CZ3 4.45Å; F459-W467 AromaticContact CG-CZ3 3.98Å; F459-W467 HydrophobicContact CG-CZ3 3.98Å
460	G	73.4	Confident	80.6	Confident	66 Å²	66	55.2 Å²	55.2	68%	0.68	29%	0.291	S	S	*	.			trans	66.2	1.8	170.3	0	0	0	0	0	116.6	R456	R456-G460 VanDerWaalsContact O-CA 3.29Å; R456-G460 WeakPolarHBondContact O-CA 3.27Å; R456-G460 PolarHBondContact O-N 3.47Å; R456-G460 VanDerWaalsContact O-N 3.07Å
461	N	63.2	Low	80.5	Confident	76 Å²	76	51.5 Å²	51.5	41%	0.406	27%	0.272	S	S	.	.			trans	-114.9	148.1	-175.8	-162.6	6.3	0	0	0	110.9	F459 S463 Y464	F459-N461 PolarHBondContact O-N 2.98Å; N461-S463 VanDerWaalsContact C-N 3.27Å; N461-Y464 WeakPolarHBondContact O-CD1 3.47Å
462	E	56.8	Low	80.2	Confident	166 Å²	166	54.9 Å²	54.9	78%	0.776	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-79.7	-10.7	176.8	-67.1	-172.7	168.2	0	0	112.6	Y464	E462-Y464 PolarHBondContact O-N 3.45Å
463	S	66.9	Low	80.1	Confident	45 Å²	45	53.1 Å²	53.1	32%	0.315	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-84.5	4.3	-174.3	-49.8	0	0	0	0	115.5	N461 N465 E466 W467	N461-S463 VanDerWaalsContact C-N 3.27Å; S463-N465 PolarHBondContact O-N 2.83Å; S463-N465 VanDerWaalsContact O-N 3.11Å; S463-E466 PolarHBondContact O-N 2.95Å; S463-W467 PolarHBondContact O-NE1 2.94Å
464	Y	72	Confident	80	Confident	14 Å²	14	53 Å²	53	6%	0.055	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.1	-19.3	-179.8	64.6	-89.4	0	0	0	113.2	D452 L455 R456 N461 E462 E466 W467	D452-Y464 PolarHBondContact O-OH 3Å; D452-Y464 PolarHBondContact OD1-OH 2.9Å; L455-Y464 HydrophobicContact CB-CD1 4.42Å; L455-Y464 HydrophobicContact CB-CD2 3.79Å; L455-Y464 HydrophobicContact CB-CE2 4.07Å; L455-Y464 HydrophobicContact CB-CG 4Å; L455-Y464 HydrophobicContact CD1-CD2 3.73Å; L455-Y464 HydrophobicContact CD1-CE2 4.19Å; L455-Y464 HydrophobicContact CG-CD2 4.44Å; R456-Y464 HydrophobicContact CB-CE1 3.86Å; N461-Y464 WeakPolarHBondContact O-CD1 3.47Å; E462-Y464 PolarHBondContact O-N 3.45Å; Y464-E466 PolarHBondContact O-N 3.08Å; Y464-W467 WeakPolarHBondContact O-CB 3.15Å; Y464-W467 PolarHBondContact O-N 2.58Å
465	N	64.6	Low	79.8	Confident	102 Å²	102	56.6 Å²	56.6	55%	0.545	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23	174.1	-66	-20.9	0	0	0	112.9	S463	S463-N465 PolarHBondContact O-N 2.83Å; S463-N465 VanDerWaalsContact O-N 3.11Å
466	E	68.9	Low	79.8	Confident	130 Å²	130	56.6 Å²	56.6	61%	0.607	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-91.7	-8.6	176.1	-60	-177.3	168.5	0	0	112.3	S463 Y464	S463-E466 PolarHBondContact O-N 2.95Å; Y464-E466 PolarHBondContact O-N 3.08Å
467	W	75.1	Confident	79.9	Confident	33 Å²	33	52 Å²	52	13%	0.125	28%	0.276	C	S	.	.			trans	-82.9	144.5	-176.4	-62.4	5.9	0	0	0	110.1	L354 P364 I366 F459 S463 Y464 F469	L354-W467 HydrophobicContact CD1-CE3 3.89Å; L354-W467 HydrophobicContact CD1-CH2 4.1Å; L354-W467 HydrophobicContact CD1-CZ3 3.41Å; L354-W467 VanDerWaalsContact CD1-CZ3 3.41Å; P364-W467 HydrophobicContact CG-CD2 3.74Å; P364-W467 VanDerWaalsContact CG-CE2 3.48Å; P364-W467 HydrophobicContact CG-CE3 4.06Å; P364-W467 HydrophobicContact CG-CG 4.32Å; P364-W467 HydrophobicContact CG-CH2 3.96Å; P364-W467 HydrophobicContact CG-CZ2 3.6Å; P364-W467 HydrophobicContact CG-CZ3 4.19Å; I366-W467 HydrophobicContact CD1-CE3 3.46Å; I366-W467 VanDerWaalsContact CD1-CE3 3.46Å; I366-W467 HydrophobicContact CD1-CZ3 3.95Å; I366-W467 HydrophobicContact CG1-CE3 3.72Å; I366-W467 HydrophobicContact CG1-CZ3 4.14Å; F459-W467 HydrophobicContact CB-CH2 4.29Å; F459-W467 HydrophobicContact CB-CZ3 4.14Å; F459-W467 HydrophobicContact CD1-CZ3 4.12Å; F459-W467 HydrophobicContact CD2-CZ3 4.45Å; F459-W467 AromaticContact CG-CZ3 3.98Å; F459-W467 HydrophobicContact CG-CZ3 3.98Å; S463-W467 PolarHBondContact O-NE1 2.94Å; Y464-W467 WeakPolarHBondContact O-CB 3.15Å; Y464-W467 PolarHBondContact O-N 2.58Å; W467-F469 WeakPolarHBondContact O-CE2 3.42Å
468	E	80.7	Confident	80	Confident	79 Å²	79	51.9 Å²	51.9	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	149.3	171.8	-63.1	-168.6	166	0	0	110.1	I365 I366 R436	I365-E468 WeakPolarHBondContact CA-O 3.23Å; I365-E468 HydrophobicContact CG1-CB 4.27Å; I366-E468 PolarHBondContact N-O 3.43Å; R436-E468 IonicContact CZ-OE2 3.05Å; R436-E468 IonicContact NE-OE2 2.78Å; R436-E468 IonicContact NH1-OE2 3.81Å; R436-E468 PolarHBondContact NH1-OE2 3.24Å
469	F	89.1	Confident	80.3	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.7	176.4	-55.5	-93.5	0	0	0	109.2	I366 I368 R436 V437 H439 L442 L455 W467	I366-F469 HydrophobicContact CB-CD1 3.8Å; I366-F469 HydrophobicContact CB-CE1 4.12Å; I366-F469 HydrophobicContact CD1-CD1 4.19Å; I366-F469 HydrophobicContact CD1-CE1 3.6Å; I366-F469 HydrophobicContact CD1-CZ 4.35Å; I366-F469 HydrophobicContact CG1-CE1 4.44Å; I366-F469 HydrophobicContact CG2-CD1 4.15Å; I366-F469 HydrophobicContact CG2-CE1 4.48Å; I366-F469 CarbonylContact O-C 3.49Å; I366-F469 VanDerWaalsContact O-CA 3.28Å; I366-F469 WeakPolarHBondContact O-CA 3.32Å; I368-F469 HydrophobicContact CD1-CD1 4.48Å; R436-F469 CarbonylContact C-O 3.55Å; R436-F469 VanDerWaalsContact CA-O 3.31Å; R436-F469 WeakPolarHBondContact CA-O 3.49Å; V437-F469 HydrophobicContact CG2-CB 3.68Å; V437-F469 PolarHBondContact N-O 2.79Å; V437-F469 PolarHBondContact O-N 3.37Å; H439-F469 HydrophobicContact CB-CE2 3.92Å; L442-F469 HydrophobicContact CD1-CB 4.43Å; L442-F469 HydrophobicContact CD1-CD1 3.7Å; L442-F469 HydrophobicContact CD1-CD2 4.22Å; L442-F469 HydrophobicContact CD1-CE1 3.96Å; L442-F469 HydrophobicContact CD1-CE2 4.48Å; L442-F469 HydrophobicContact CD1-CG 3.85Å; L442-F469 HydrophobicContact CD1-CZ 4.36Å; L455-F469 HydrophobicContact CD1-CE1 3.56Å; L455-F469 HydrophobicContact CD1-CZ 3.55Å; L455-F469 HydrophobicContact CD2-CE1 4.03Å; L455-F469 HydrophobicContact CG-CE1 4.47Å; W467-F469 WeakPolarHBondContact O-CE2 3.42Å
470	T	91.1	Very high	80.8	Confident	12 Å²	12	53.1 Å²	53.1	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.6	166.7	51.4	0	0	0	0	109.4	I365 I366 E367 I368 K435 R436	I365-T470 HydrophobicContact CG2-CG2 3.82Å; I366-T470 PolarHBondContact O-N 2.85Å; E367-T470 CarbonylContact C-O 3.54Å; E367-T470 WeakPolarHBondContact CA-O 3.3Å; E367-T470 WeakPolarHBondContact CA-OG1 3.29Å; E367-T470 WeakPolarHBondContact CG-OG1 3.47Å; I368-T470 PolarHBondContact N-O 2.95Å; K435-T470 CarbonylContact O-C 3.52Å; K435-T470 VanDerWaalsContact O-CA 3.29Å; K435-T470 WeakPolarHBondContact O-CA 3.37Å; R436-T470 HydrophobicContact CG-CG2 3.81Å
471	I	91.1	Very high	81.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132	175.2	-54.6	179.6	0	0	0	109.1	I368 K435 V437 Y441 L442 E474 W477	I368-I471 HydrophobicContact CB-CG1 4.31Å; I368-I471 HydrophobicContact CD1-CG1 4.43Å; I368-I471 WeakPolarHBondContact O-CA 3.3Å; K435-I471 PolarHBondContact N-O 3.49Å; K435-I471 PolarHBondContact O-N 3.15Å; V437-I471 HydrophobicContact CG1-CD1 4.1Å; V437-I471 HydrophobicContact CG1-CG1 4.35Å; V437-I471 HydrophobicContact CG2-CD1 3.76Å; V437-I471 HydrophobicContact CG2-CG1 3.78Å; Y441-I471 HydrophobicContact CD1-CD1 4.35Å; Y441-I471 HydrophobicContact CE1-CD1 4.14Å; L442-I471 HydrophobicContact CD2-CD1 3.73Å; L442-I471 HydrophobicContact CD2-CG1 4.4Å; I471-E474 HydrophobicContact CG2-CB 4.49Å; I471-W477 HydrophobicContact CD1-CD2 3.88Å; I471-W477 HydrophobicContact CD1-CE3 3.83Å; I471-W477 HydrophobicContact CD1-CG 4.4Å; I471-W477 HydrophobicContact CD1-CH2 4.38Å; I471-W477 HydrophobicContact CD1-CZ2 4.4Å; I471-W477 HydrophobicContact CD1-CZ3 4.1Å; I471-W477 HydrophobicContact CG2-CB 3.56Å; I471-W477 HydrophobicContact CG2-CD2 4.31Å; I471-W477 HydrophobicContact CG2-CG 3.81Å
472	E	85.4	Confident	83	Confident	72 Å²	72	51.4 Å²	51.4	34%	0.336	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122	176.4	-167.4	177.9	166.4	0	0	112.2	I368 H369	I368-E472 PolarHBondContact O-N 3.05Å; H369-E472 IonicContact CE1-OE2 2.62Å
473	P	86.2	Confident	84.6	Confident	24 Å²	24	44.8 Å²	44.8	16%	0.156	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	cis	-78.6	139.1	-21.2	20	-10.4	0	0	0	111.7	T429 S432 E475 A476 W477	T429-P473 HydrophobicContact CG2-CB 3.62Å; T429-P473 HydrophobicContact CG2-CG 3.54Å; S432-P473 WeakPolarHBondContact OG-CB 3.3Å; P473-E475 VanDerWaalsContact C-N 3.32Å; P473-E475 PolarHBondContact O-N 3.4Å; P473-A476 HydrophobicContact CB-CB 4.44Å; P473-A476 HydrophobicContact CG-CB 3.7Å; P473-A476 PolarHBondContact O-N 3.09Å; P473-A476 VanDerWaalsContact O-N 3.16Å; P473-W477 PolarHBondContact O-N 3.18Å; P473-W477 VanDerWaalsContact O-N 3.14Å
474	E	88.7	Confident	85.6	Confident	36 Å²	36	43 Å²	43	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-44.5	-179.1	176.7	-176.6	-146.5	0	0	112.8	K435 Y441 I471 A476 W477 Q478	K435-E474 HydrophobicContact CD-CB 4.47Å; K435-E474 HydrophobicContact CD-CG 4.31Å; K435-E474 WeakPolarHBondContact CD-OE1 3.3Å; K435-E474 WeakPolarHBondContact CD-OE2 3.28Å; K435-E474 WeakPolarHBondContact CE-OE1 3.37Å; K435-E474 WeakPolarHBondContact CE-OE2 3.48Å; K435-E474 IonicContact NZ-OE1 3.39Å; K435-E474 PolarHBondContact NZ-OE1 2.8Å; K435-E474 IonicContact NZ-OE2 2.8Å; K435-E474 PolarHBondContact NZ-OE2 3.28Å; Y441-E474 PolarHBondContact OH-OE1 2.93Å; I471-E474 HydrophobicContact CG2-CB 4.49Å; E474-A476 VanDerWaalsContact C-N 3.31Å; E474-A476 PolarHBondContact O-N 2.92Å; E474-W477 PolarHBondContact O-N 3Å; E474-Q478 HydrophobicContact CG-CG 4.33Å; E474-Q478 WeakPolarHBondContact O-CG 3.48Å; E474-Q478 PolarHBondContact O-N 3.46Å
475	E	88.8	Confident	86.3	Confident	76 Å²	76	45 Å²	45	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-39.8	-179.1	-178.7	-178.5	-172.1	0	0	111.7	T429 P473 R479	T429-E475 HydrophobicContact CG2-CB 4.05Å; T429-E475 HydrophobicContact CG2-CG 4.46Å; P473-E475 VanDerWaalsContact C-N 3.32Å; P473-E475 PolarHBondContact O-N 3.4Å; E475-R479 WeakPolarHBondContact O-CB 3.37Å; E475-R479 WeakPolarHBondContact O-CG 3.46Å; E475-R479 PolarHBondContact O-N 2.91Å; E475-R479 VanDerWaalsContact O-N 3.08Å; E475-R479 IonicContact OE1-CZ 3.02Å; E475-R479 IonicContact OE1-NE 3.29Å; E475-R479 IonicContact OE1-NH1 2.6Å; E475-R479 PolarHBondContact OE1-NH1 3.11Å; E475-R479 IonicContact OE1-NH2 3.02Å; E475-R479 PolarHBondContact OE1-NH2 2.87Å
476	A	89.7	Confident	87.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-41.7	177.1	0	0	0	0	0	111.5	I425 T429 P473 E474 T480	I425-A476 VanDerWaalsContact CG2-CA 3.46Å; I425-A476 HydrophobicContact CG2-CB 3.62Å; T429-A476 HydrophobicContact CG2-CB 3.95Å; P473-A476 HydrophobicContact CB-CB 4.44Å; P473-A476 HydrophobicContact CG-CB 3.7Å; P473-A476 PolarHBondContact O-N 3.09Å; P473-A476 VanDerWaalsContact O-N 3.16Å; E474-A476 VanDerWaalsContact C-N 3.31Å; E474-A476 PolarHBondContact O-N 2.92Å; A476-T480 VanDerWaalsContact O-CB 3.31Å; A476-T480 WeakPolarHBondContact O-CB 3.45Å; A476-T480 PolarHBondContact O-N 3.27Å; A476-T480 PolarHBondContact O-OG1 2.97Å
477	W	90.3	Very high	88.1	Confident	12 Å²	12	42 Å²	42	5%	0.045	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-47.5	178.6	177.2	86.3	0	0	0	111.6	Y441 L442 N445 C446 W451 I471 P473 E474 R479 T480 C481	Y441-W477 AromaticContact CE1-CZ3 4Å; Y441-W477 HydrophobicContact CE1-CZ3 4Å; L442-W477 HydrophobicContact CD2-CH2 4Å; L442-W477 HydrophobicContact CD2-CZ2 3.69Å; N445-W477 HydrophobicContact CB-CH2 3.85Å; N445-W477 HydrophobicContact CB-CZ3 3.65Å; C446-W477 HydrophobicContact CB-CH2 3.51Å; C446-W477 HydrophobicContact CB-CZ2 3.4Å; C446-W477 VanDerWaalsContact CB-CZ2 3.4Å; C446-W477 HydrophobicContact CB-CZ3 4.45Å; W451-W477 HydrophobicContact CH2-CZ2 4.3Å; W451-W477 AromaticContact CH2-NE1 3.96Å; W451-W477 AromaticContact CZ2-CZ2 3.68Å; W451-W477 HydrophobicContact CZ2-CZ2 3.68Å; I471-W477 HydrophobicContact CD1-CD2 3.88Å; I471-W477 HydrophobicContact CD1-CE3 3.83Å; I471-W477 HydrophobicContact CD1-CG 4.4Å; I471-W477 HydrophobicContact CD1-CH2 4.38Å; I471-W477 HydrophobicContact CD1-CZ2 4.4Å; I471-W477 HydrophobicContact CD1-CZ3 4.1Å; I471-W477 HydrophobicContact CG2-CB 3.56Å; I471-W477 HydrophobicContact CG2-CD2 4.31Å; I471-W477 HydrophobicContact CG2-CG 3.81Å; P473-W477 PolarHBondContact O-N 3.18Å; P473-W477 VanDerWaalsContact O-N 3.14Å; E474-W477 PolarHBondContact O-N 3Å; W477-R479 PolarHBondContact O-N 2.7Å; W477-T480 WeakPolarHBondContact O-CB 3.42Å; W477-T480 PolarHBondContact O-N 3.3Å; W477-C481 PolarHBondContact O-N 2.85Å
478	Q	89.8	Confident	88.2	Confident	66 Å²	66	41.6 Å²	41.6	31%	0.308	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-50.6	176.7	-73.7	-179.2	-20.1	0	0	111.5	Y441 E474 T480 C481 D482	Y441-Q478 PolarHBondContact OH-NE2 3.21Å; E474-Q478 HydrophobicContact CG-CG 4.33Å; E474-Q478 WeakPolarHBondContact O-CG 3.48Å; E474-Q478 PolarHBondContact O-N 3.46Å; Q478-T480 VanDerWaalsContact C-N 3.25Å; Q478-T480 PolarHBondContact O-N 2.87Å; Q478-C481 WeakPolarHBondContact O-CB 3.44Å; Q478-C481 PolarHBondContact O-N 3.06Å; Q478-C481 VanDerWaalsContact O-N 3.1Å; Q478-D482 PolarHBondContact O-N 2.96Å
479	R	92.3	Very high	87.3	Confident	97 Å²	97	43.8 Å²	43.8	37%	0.366	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-34.9	178.2	-72.9	-179.2	175.5	162.5	6.3	112.8	I425 E475 W477 D482 I483	I425-R479 HydrophobicContact CD1-CB 3.59Å; I425-R479 HydrophobicContact CG1-CB 3.99Å; I425-R479 HydrophobicContact CG2-CB 4.17Å; E475-R479 WeakPolarHBondContact O-CB 3.37Å; E475-R479 WeakPolarHBondContact O-CG 3.46Å; E475-R479 PolarHBondContact O-N 2.91Å; E475-R479 VanDerWaalsContact O-N 3.08Å; E475-R479 IonicContact OE1-CZ 3.02Å; E475-R479 IonicContact OE1-NE 3.29Å; E475-R479 IonicContact OE1-NH1 2.6Å; E475-R479 PolarHBondContact OE1-NH1 3.11Å; E475-R479 IonicContact OE1-NH2 3.02Å; E475-R479 PolarHBondContact OE1-NH2 2.87Å; W477-R479 PolarHBondContact O-N 2.7Å; R479-D482 PolarHBondContact O-N 3.31Å; R479-I483 WeakPolarHBondContact O-CG1 3.42Å; R479-I483 PolarHBondContact O-N 2.91Å
480	T	92.2	Very high	85.7	Confident	10 Å²	10	48 Å²	48	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-44.7	175.6	-62.6	0	0	0	0	110.5	W349 L422 A476 W477 Q478 D482 I483 L484	W349-T480 HydrophobicContact CB-CG2 4.01Å; L422-T480 HydrophobicContact CD2-CG2 3.69Å; A476-T480 VanDerWaalsContact O-CB 3.31Å; A476-T480 WeakPolarHBondContact O-CB 3.45Å; A476-T480 PolarHBondContact O-N 3.27Å; A476-T480 PolarHBondContact O-OG1 2.97Å; W477-T480 WeakPolarHBondContact O-CB 3.42Å; W477-T480 PolarHBondContact O-N 3.3Å; Q478-T480 VanDerWaalsContact C-N 3.25Å; Q478-T480 PolarHBondContact O-N 2.87Å; T480-D482 VanDerWaalsContact C-N 3.34Å; T480-D482 PolarHBondContact O-N 3.06Å; T480-I483 PolarHBondContact O-N 3.39Å; T480-L484 HydrophobicContact CG2-CD1 4.3Å; T480-L484 WeakPolarHBondContact O-CG 3.5Å; T480-L484 PolarHBondContact O-N 3.11Å
481	C	91.9	Very high	83.6	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-36.8	175.1	-72.3	0	0	0	0	112.9	C446 W477 Q478 L484 S485	C446-C481 HydrophobicContact CB-CB 3.73Å; C446-C481 WeakPolarHBondContact CB-SG 3.22Å; C446-C481 WeakPolarHBondContact SG-CB 3.38Å; C446-C481 CovalentContact SG-SG 2.04Å; C446-C481 PolarHBondContact SG-SG 3.03Å; W477-C481 PolarHBondContact O-N 2.85Å; Q478-C481 WeakPolarHBondContact O-CB 3.44Å; Q478-C481 PolarHBondContact O-N 3.06Å; Q478-C481 VanDerWaalsContact O-N 3.1Å; C481-L484 PolarHBondContact O-N 2.98Å; C481-S485 WeakPolarHBondContact O-CB 3.49Å; C481-S485 PolarHBondContact O-N 3.14Å; C481-S485 PolarHBondContact O-OG 2.86Å
482	D	91.2	Very high	81.3	Confident	102 Å²	102	62.2 Å²	62.2	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-45.7	174.4	-69.3	-25.2	0	0	0	111.8	Q478 R479 T480 S485 S486	Q478-D482 PolarHBondContact O-N 2.96Å; R479-D482 PolarHBondContact O-N 3.31Å; T480-D482 VanDerWaalsContact C-N 3.34Å; T480-D482 PolarHBondContact O-N 3.06Å; D482-S485 PolarHBondContact O-N 3.16Å; D482-S486 WeakPolarHBondContact O-CB 3.39Å; D482-S486 PolarHBondContact O-N 2.12Å
483	I	90.9	Very high	79.4	Confident	27 Å²	27	68 Å²	68	14%	0.138	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-50.9	175.7	-72.2	177.3	0	0	0	110.2	L418 E421 I425 R479 T480 S485 S486 K487	L418-I483 HydrophobicContact CD1-CG2 3.46Å; L418-I483 VanDerWaalsContact CD1-CG2 3.46Å; E421-I483 HydrophobicContact CB-CD1 3.67Å; E421-I483 WeakPolarHBondContact OE2-CG2 3.39Å; I425-I483 HydrophobicContact CD1-CD1 3.29Å; I425-I483 HydrophobicContact CD1-CG1 4.25Å; I425-I483 HydrophobicContact CG1-CD1 4.25Å; R479-I483 WeakPolarHBondContact O-CG1 3.42Å; R479-I483 PolarHBondContact O-N 2.91Å; T480-I483 PolarHBondContact O-N 3.39Å; I483-S485 VanDerWaalsContact C-N 3.26Å; I483-S485 PolarHBondContact O-N 2.92Å; I483-S486 PolarHBondContact O-N 3.01Å; I483-S486 PolarHBondContact O-OG 2.9Å; I483-K487 HydrophobicContact CG2-CG 4.3Å; I483-K487 WeakPolarHBondContact O-CG 3.44Å; I483-K487 PolarHBondContact O-N 3.08Å
484	L	87.5	Confident	77.3	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-58.1	-42.3	-179.8	-69.1	173.7	0	0	0	111.6	W349 I448 T480 C481 S486 K487 I488	W349-L484 HydrophobicContact CB-CD1 4.14Å; W349-L484 HydrophobicContact CD2-CD1 3.78Å; W349-L484 HydrophobicContact CD2-CD2 3.7Å; W349-L484 HydrophobicContact CD2-CG 4.38Å; W349-L484 HydrophobicContact CE3-CD1 3.83Å; W349-L484 HydrophobicContact CE3-CD2 4.15Å; W349-L484 HydrophobicContact CG-CD1 3.87Å; W349-L484 HydrophobicContact CG-CD2 4.08Å; W349-L484 HydrophobicContact CG-CG 4.48Å; W349-L484 HydrophobicContact CH2-CD2 4.43Å; W349-L484 HydrophobicContact CZ2-CD2 3.94Å; W349-L484 HydrophobicContact CZ3-CD2 4.47Å; I448-L484 HydrophobicContact CD1-CB 4.14Å; I448-L484 WeakPolarHBondContact CD1-O 3.4Å; T480-L484 HydrophobicContact CG2-CD1 4.3Å; T480-L484 WeakPolarHBondContact O-CG 3.5Å; T480-L484 PolarHBondContact O-N 3.11Å; C481-L484 PolarHBondContact O-N 2.98Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 3.1Å; L484-K487 PolarHBondContact O-N 3.23Å; L484-I488 PolarHBondContact O-N 3.15Å
485	S	87.2	Confident	74.9	Confident	54 Å²	54	76.2 Å²	76.2	38%	0.378	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-36.5	176.3	-57	0	0	0	0	112.3	C481 D482 I483	C481-S485 WeakPolarHBondContact O-CB 3.49Å; C481-S485 PolarHBondContact O-N 3.14Å; C481-S485 PolarHBondContact O-OG 2.86Å; D482-S485 PolarHBondContact O-N 3.16Å; I483-S485 VanDerWaalsContact C-N 3.26Å; I483-S485 PolarHBondContact O-N 2.92Å
486	S	87.4	Confident	74.2	Confident	80 Å²	80	76.3 Å²	76.3	56%	0.559	38%	0.38	S	S	*	.	H	α-helix	trans	-72.3	-28.2	178.1	77.7	0	0	0	0	114.2	D482 I483 L484	D482-S486 WeakPolarHBondContact O-CB 3.39Å; D482-S486 PolarHBondContact O-N 2.12Å; I483-S486 PolarHBondContact O-N 3.01Å; I483-S486 PolarHBondContact O-OG 2.9Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 3.1Å
487	K	83.1	Confident	73.4	Confident	89 Å²	89	80.3 Å²	80.3	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-87.5	-16.7	-177.5	-60.8	-65.6	-176.8	-178.2	0	113	E417 L418 E421 I483 L484 N489	E417-K487 IonicContact OE1-NZ 2.82Å; E417-K487 PolarHBondContact OE1-NZ 3.49Å; L418-K487 HydrophobicContact CD1-CG 4.38Å; E421-K487 IonicContact OE1-NZ 3.33Å; E421-K487 PolarHBondContact OE1-NZ 3.02Å; E421-K487 WeakPolarHBondContact OE2-CE 3.46Å; E421-K487 IonicContact OE2-NZ 2.92Å; E421-K487 PolarHBondContact OE2-NZ 2.86Å; I483-K487 HydrophobicContact CG2-CG 4.3Å; I483-K487 WeakPolarHBondContact O-CG 3.44Å; I483-K487 PolarHBondContact O-N 3.08Å; L484-K487 PolarHBondContact O-N 3.23Å; K487-N489 PolarHBondContact O-N 2.77Å
488	I	78.3	Confident	72.4	Confident	25 Å²	25	84.1 Å²	84.1	13%	0.128	42%	0.42	C	S	.	.	S	Bend	trans	-90	102.4	174.5	-71.2	169.2	0	0	0	108.2	F331 L333 I448 L484 T490 K495	F331-I488 HydrophobicContact CE1-CD1 3.81Å; F331-I488 HydrophobicContact CE1-CG1 4.25Å; F331-I488 HydrophobicContact CE1-CG2 4.43Å; F331-I488 HydrophobicContact CZ-CD1 4.11Å; L333-I488 HydrophobicContact CB-CD1 4.43Å; L333-I488 HydrophobicContact CD1-CD1 4.17Å; L333-I488 HydrophobicContact CD2-CD1 4Å; L333-I488 HydrophobicContact CG-CD1 4.45Å; I448-I488 HydrophobicContact CD1-CB 4.24Å; I448-I488 HydrophobicContact CD1-CD1 3.3Å; I448-I488 HydrophobicContact CD1-CG1 4.18Å; I448-I488 HydrophobicContact CG1-CD1 3.98Å; L484-I488 PolarHBondContact O-N 3.15Å; I488-T490 PolarHBondContact O-N 2.79Å; I488-K495 HydrophobicContact CG2-CB 4.16Å; I488-K495 HydrophobicContact CG2-CG 4.46Å; I488-K495 VanDerWaalsContact CG2-OXT 3.31Å; I488-K495 WeakPolarHBondContact CG2-OXT 3.11Å
489	N	62	Low	71.4	Confident	125 Å²	125	85.1 Å²	85.1	67%	0.668	43%	0.426	S	S	*	.			trans	-67.3	103.9	176.3	-78.5	-18.8	0	0	0	109.5	K487 E491	K487-N489 PolarHBondContact O-N 2.77Å; N489-E491 VanDerWaalsContact C-N 3.29Å; N489-E491 PolarHBondContact O-N 3.13Å; N489-E491 VanDerWaalsContact O-N 3.1Å
490	T	54.4	Low	70.1	Confident	89 Å²	89	84.4 Å²	84.4	55%	0.546	43%	0.43	S	S	.	.			trans	-81.8	76.4	168.6	40.6	0	0	0	0	109.5	I488 D492 R494 K495	I488-T490 PolarHBondContact O-N 2.79Å; T490-D492 PolarHBondContact O-N 2.85Å; T490-R494 WeakPolarHBondContact CA-O 3.3Å; T490-K495 HydrophobicContact CG2-CG 4.05Å
491	E	47.7	Very low	68.6	Low	157 Å²	157	89.3 Å²	89.3	73%	0.734	45%	0.454	S	S	*	.	B	Isolated β-bridge	trans	-74	120.4	164.6	-74.9	-172.7	168.6	0	0	108.4	N489 R494	N489-E491 VanDerWaalsContact C-N 3.29Å; N489-E491 PolarHBondContact O-N 3.13Å; N489-E491 VanDerWaalsContact O-N 3.1Å; E491-R494 PolarHBondContact O-N 3.14Å
492	D	43.3	Very low	67	Low	153 Å²	153	95.4 Å²	95.4	82%	0.818	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	46.8	178.1	-67.1	-27.9	0	0	0	116.2	T490 R494	T490-D492 PolarHBondContact O-N 2.85Å; D492-R494 PolarHBondContact O-N 3.38Å
493	E	44.3	Very low	65.1	Low	195 Å²	195	94.9 Å²	94.9	91%	0.911	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	6.2	179.1	-59.5	-176.2	159.1	0	0	114.7
494	R	42.4	Very low	63	Low	130 Å²	130	100.6 Å²	100.6	49%	0.491	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-101.1	127	172.6	-62.5	-176.7	-175.3	-169.5	-3.2	108.4	E329 T490 E491 D492	E329-R494 IonicContact OE1-CZ 3.82Å; E329-R494 IonicContact OE1-NH1 2.79Å; E329-R494 PolarHBondContact OE1-NH1 2.87Å; T490-R494 WeakPolarHBondContact CA-O 3.3Å; E491-R494 PolarHBondContact O-N 3.14Å; D492-R494 PolarHBondContact O-N 3.38Å
495	K	38.1	Very low	60.7	Low	102 Å²	102	109 Å²	109	44%	0.443	55%	0.551	S	S	.	*			trans	-70.3	0	-179.4	-73.6	-178.4	177	176	0	112.1	S328 F331 P447 I448 I488 T490	S328-K495 WeakPolarHBondContact CA-O 3.22Å; S328-K495 WeakPolarHBondContact CB-O 3.18Å; F331-K495 HydrophobicContact CD1-CB 4.35Å; P447-K495 PolarHBondContact O-NZ 2.95Å; I448-K495 PolarHBondContact O-NZ 2.59Å; I448-K495 VanDerWaalsContact O-NZ 3.15Å; I488-K495 HydrophobicContact CG2-CB 4.16Å; I488-K495 HydrophobicContact CG2-CG 4.46Å; I488-K495 VanDerWaalsContact CG2-OXT 3.31Å; I488-K495 WeakPolarHBondContact CG2-OXT 3.11Å; T490-K495 HydrophobicContact CG2-CG 4.05Å

Retrieved 495 of 495 residues in 292.7 ms (Link to these results)

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