A0A077Z8U9_TRITR Loading...

Integrin beta

AlphaFold DB , UniProt , Accession A0A077Z8U9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 794 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	35.5	Very low	31.2	Very low	246 Å²	246	160.6 Å²	160.6	100%	1.212	82%	0.82	S	S	*	*				0	95.9	0	-78.8	169.4	166.9	0	0	109.4
2	K	33.4	Very low	31.3	Very low	208 Å²	208	154.3 Å²	154.3	90%	0.904	81%	0.81	S	S	*	*			trans	-119.8	107.8	161.7	-88.6	-177.5	176.1	177.8	0	105.6	C4	K2-C4 PolarHBondContact O-N 3.01Å
3	C	34.1	Very low	31.2	Very low	110 Å²	110	152.9 Å²	152.9	74%	0.743	80%	0.804	S	S	*	*			trans	-52.9	118.3	172.8	-70.3	0	0	0	0	108.7	W5	C3-W5 VanDerWaalsContact C-N 3.26Å; C3-W5 PolarHBondContact O-N 3.17Å
4	C	36.3	Very low	31.2	Very low	120 Å²	120	150.7 Å²	150.7	81%	0.811	81%	0.807	S	S	*	*			trans	-60.4	97.3	157	-77.3	0	0	0	0	107	K2 T6	K2-C4 PolarHBondContact O-N 3.01Å; C4-T6 PolarHBondContact O-N 3.34Å
5	W	30.1	Very low	31	Very low	237 Å²	237	149.3 Å²	149.3	90%	0.898	80%	0.799	S	S	*	*			trans	-69.6	85.2	154.8	-84.2	64.9	0	0	0	106.2	C3 S7	C3-W5 VanDerWaalsContact C-N 3.26Å; C3-W5 PolarHBondContact O-N 3.17Å; W5-S7 PolarHBondContact O-N 3.45Å
6	T	31.5	Very low	31.2	Very low	120 Å²	120	148.2 Å²	148.2	74%	0.736	80%	0.8	S	S	*	*			trans	-69	92.1	152.3	36.2	0	0	0	0	105.5	C4 R8	C4-T6 PolarHBondContact O-N 3.34Å; T6-R8 PolarHBondContact O-N 3.33Å
7	S	30.2	Very low	31.6	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	81%	0.808	S	S	*	*			trans	-51.7	103.8	151.3	50.3	0	0	0	0	105.6	W5 V9	W5-S7 PolarHBondContact O-N 3.45Å; S7-V9 PolarHBondContact O-N 3.27Å
8	R	28.6	Very low	32.8	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	79%	0.793	S	S	*	*			trans	-60.7	80.3	153.2	-82.1	-176.2	178.1	-177.5	-0.6	105.2	T6 N10	T6-R8 PolarHBondContact O-N 3.33Å; R8-N10 VanDerWaalsContact C-N 3.31Å; R8-N10 PolarHBondContact O-N 2.94Å; R8-N10 VanDerWaalsContact O-N 3.11Å
9	V	28.7	Very low	34.9	Very low	102 Å²	102	138.1 Å²	138.1	62%	0.618	77%	0.767	S	S	*	*			trans	-53.3	114.1	145	177.5	0	0	0	0	102.2	S7 L11	S7-V9 PolarHBondContact O-N 3.27Å; V9-L11 PolarHBondContact O-N 3.04Å
10	N	29.6	Very low	37.2	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	75%	0.746	S	S	*	*			trans	-54.1	90.2	162.5	-80	-27.1	0	0	0	105.5	R8 A12	R8-N10 VanDerWaalsContact C-N 3.31Å; R8-N10 PolarHBondContact O-N 2.94Å; R8-N10 VanDerWaalsContact O-N 3.11Å; N10-A12 PolarHBondContact O-N 3.22Å
11	L	25.9	Very low	39.5	Very low	149 Å²	149	127.5 Å²	127.5	78%	0.78	71%	0.71	S	S	*	*			trans	-64.6	77.2	149.9	-79	146.6	0	0	0	103.2	V9 D13	V9-L11 PolarHBondContact O-N 3.04Å; L11-D13 PolarHBondContact O-N 3.48Å
12	A	32	Very low	41.8	Very low	85 Å²	85	119.9 Å²	119.9	70%	0.702	67%	0.672	S	S	*	*			trans	-53.2	104.1	148.2	0	0	0	0	0	103.1	N10 S14	N10-A12 PolarHBondContact O-N 3.22Å; A12-S14 PolarHBondContact O-N 2.97Å
13	D	29.2	Very low	43.8	Very low	136 Å²	136	113.6 Å²	113.6	73%	0.727	66%	0.658	S	S	*	*			trans	-42.2	118.9	177.3	-82.6	-44	0	0	0	107.8	L11 N15	L11-D13 PolarHBondContact O-N 3.48Å; D13-N15 HydrophobicContact CB-CB 4.49Å; D13-N15 PolarHBondContact O-N 2.98Å
14	S	31.4	Very low	45.8	Very low	122 Å²	122	109.6 Å²	109.6	85%	0.853	63%	0.629	S	S	*	*			trans	-70.8	32.5	173.6	61.1	0	0	0	0	111.5	A12	A12-S14 PolarHBondContact O-N 2.97Å
15	N	29.2	Very low	47.5	Very low	129 Å²	129	106.5 Å²	106.5	69%	0.69	61%	0.609	S	S	*	*	S	Bend	trans	-107	102	177.8	-91.6	-15.9	0	0	0	108.7	D13	D13-N15 HydrophobicContact CB-CB 4.49Å; D13-N15 PolarHBondContact O-N 2.98Å
16	T	33	Very low	49.2	Very low	132 Å²	132	100 Å²	100	81%	0.81	58%	0.584	S	S	*	*			trans	72	102.4	177.8	69.6	0	0	0	0	114.3	G18	T16-G18 PolarHBondContact O-N 3.42Å
17	S	39.1	Very low	51	Low	133 Å²	133	100.3 Å²	100.3	93%	0.93	58%	0.578	S	S	*	*			trans	-64.2	58.1	156	55.4	0	0	0	0	110.2
18	G	52.4	Low	53.4	Low	53 Å²	53	99.2 Å²	99.2	55%	0.546	57%	0.565	S	S	.	*			trans	-77.8	130.2	175.4	0	0	0	0	0	108.8	T16	T16-G18 PolarHBondContact O-N 3.42Å
19	F	74	Confident	56.1	Low	67 Å²	67	90.7 Å²	90.7	29%	0.294	53%	0.533	S	S	.	.			trans	-56.4	127.2	172.6	-170.4	-101.3	0	0	0	109.5	C21 H22 D59 T60	F19-C21 HydrophobicContact CD1-CB 3.74Å; F19-C21 HydrophobicContact CE1-CB 3.68Å; F19-C21 VanDerWaalsContact CE1-SG 3.51Å; F19-C21 PolarHBondContact O-N 3.25Å; F19-H22 AromaticContact CD1-CD2 3.96Å; F19-H22 PolarHBondContact O-N 3.01Å; F19-D59 WeakPolarHBondContact CE1-OD1 3.31Å; F19-D59 VanDerWaalsContact CZ-OD1 3.31Å; F19-D59 WeakPolarHBondContact CZ-OD1 3.2Å; F19-T60 HydrophobicContact CE1-CG2 4.12Å; F19-T60 HydrophobicContact CE2-CG2 4.04Å; F19-T60 HydrophobicContact CZ-CG2 3.28Å; F19-T60 WeakPolarHBondContact CZ-OG1 3.17Å
20	P	79.6	Confident	59	Low	53 Å²	53	88.1 Å²	88.1	34%	0.344	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-58.8	-24.8	-165.9	19.9	-32.3	0	0	0	114.1	H38	P20-H38 HydrophobicContact CB-CB 3.9Å; P20-H38 HydrophobicContact CG-CB 4.31Å
21	C	86.6	Confident	61.9	Low	0 Å²	0	81.2 Å²	81.2	0%	0	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-79.2	-16.5	-179.3	-46.8	0	0	0	0	114	F19 C41 C58	F19-C21 HydrophobicContact CD1-CB 3.74Å; F19-C21 HydrophobicContact CE1-CB 3.68Å; F19-C21 VanDerWaalsContact CE1-SG 3.51Å; F19-C21 PolarHBondContact O-N 3.25Å; C21-C41 WeakPolarHBondContact CA-SG 3.19Å; C21-C41 HydrophobicContact CB-CB 3.82Å; C21-C41 WeakPolarHBondContact CB-SG 3.39Å; C21-C41 PolarHBondContact N-SG 3.33Å; C21-C41 WeakPolarHBondContact SG-CA 3.33Å; C21-C41 WeakPolarHBondContact SG-CB 3.23Å; C21-C41 CovalentContact SG-SG 2.04Å; C21-C41 PolarHBondContact SG-SG 2.84Å; C21-C58 WeakPolarHBondContact CB-O 3.47Å; C21-C58 PolarHBondContact O-SG 2.95Å
22	H	82.5	Confident	65	Low	87 Å²	87	75.9 Å²	75.9	40%	0.403	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-95.6	9.3	-175.4	-65.5	-175.6	0	0	0	113.3	F19 L24 C58 D59 R63	F19-H22 AromaticContact CD1-CD2 3.96Å; F19-H22 PolarHBondContact O-N 3.01Å; H22-L24 VanDerWaalsContact C-N 3.33Å; H22-C58 PolarHBondContact CD2-O 2.81Å; H22-C58 VanDerWaalsContact CD2-O 3.27Å; H22-D59 IonicContact CE1-OD2 3.94Å; H22-D59 PolarHBondContact CE1-OD2 2.83Å; H22-D59 IonicContact NE2-OD1 2.85Å; H22-D59 IonicContact NE2-OD2 3.2Å; H22-D59 PolarHBondContact NE2-OD2 2.94Å; H22-R63 PolarHBondContact CE1-NH1 3.24Å; H22-R63 VanDerWaalsContact CE1-NH1 3.25Å
23	A	75.3	Confident	67.8	Low	75 Å²	75	74.9 Å²	74.9	62%	0.62	43%	0.432	S	S	*	.			trans	-85.5	2.4	-179.3	0	0	0	0	0	114.3
24	L	76.1	Confident	70.8	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	40%	0.398	C	S	.	.			trans	-71.1	130.6	-178.4	-65.7	178.8	0	0	0	111.5	H22 Y29 H33 C34 Q37 C58	H22-L24 VanDerWaalsContact C-N 3.33Å; L24-Y29 HydrophobicContact CB-CD2 4.25Å; L24-Y29 HydrophobicContact CD1-CD2 4.21Å; L24-H33 HydrophobicContact CD2-CB 3.87Å; L24-C34 HydrophobicContact CD1-CB 3.91Å; L24-Q37 HydrophobicContact CD2-CG 3.62Å; L24-Q37 HydrophobicContact CG-CG 4.23Å; L24-C58 HydrophobicContact CD1-CB 3.74Å
25	S	71.9	Confident	73.7	Confident	55 Å²	55	62.6 Å²	62.6	39%	0.385	36%	0.357	S	S	.	.			trans	-70.2	159.4	165.5	65.8	0	0	0	0	110.2	E27 N28 Y29	S25-E27 PolarHBondContact O-N 3.35Å; S25-N28 CarbonylContact O-C 3.5Å; S25-N28 PolarHBondContact O-N 2.96Å; S25-N28 VanDerWaalsContact O-N 3.08Å; S25-N28 WeakPolarHBondContact OG-CB 3.38Å; S25-N28 PolarHBondContact OG-N 3.49Å; S25-N28 PolarHBondContact OG-ND2 3.47Å; S25-Y29 PolarHBondContact O-N 2.64Å
26	R	66.4	Low	76.6	Confident	99 Å²	99	58.4 Å²	58.4	37%	0.374	33%	0.334	S	S	.	.	S	Bend	trans	-58.1	-34.9	177.3	-170	176.4	178.7	163	5.3	112.9	Y29 D505	R26-Y29 WeakPolarHBondContact O-CB 3.33Å; R26-Y29 PolarHBondContact O-N 3.38Å; R26-D505 IonicContact NH1-OD1 3.11Å
27	E	68.7	Low	79.3	Confident	128 Å²	128	54.7 Å²	54.7	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.6	177.1	-67.7	175.3	-178.5	0	0	112.4	S25 T501	S25-E27 PolarHBondContact O-N 3.35Å; E27-T501 HydrophobicContact CG-CG2 4.41Å; E27-T501 PolarHBondContact OE1-OG1 2.97Å
28	N	80.7	Confident	81.8	Confident	67 Å²	67	52 Å²	52	36%	0.358	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	19.2	179.6	-64.6	-19.7	0	0	0	112.1	S25 T30 H33	S25-N28 CarbonylContact O-C 3.5Å; S25-N28 PolarHBondContact O-N 2.96Å; S25-N28 VanDerWaalsContact O-N 3.08Å; S25-N28 WeakPolarHBondContact OG-CB 3.38Å; S25-N28 PolarHBondContact OG-N 3.49Å; S25-N28 PolarHBondContact OG-ND2 3.47Å; N28-T30 PolarHBondContact O-N 2.83Å; N28-H33 HydrophobicContact CB-CB 4.23Å; N28-H33 WeakPolarHBondContact O-CB 3.18Å
29	Y	85.8	Confident	83.6	Confident	58 Å²	58	50.4 Å²	50.4	23%	0.227	26%	0.259	C	S	.	.			trans	-81.4	65.5	-179	-166.9	-106.5	0	0	0	110.6	L24 S25 R26 W43 R57	L24-Y29 HydrophobicContact CB-CD2 4.25Å; L24-Y29 HydrophobicContact CD1-CD2 4.21Å; S25-Y29 PolarHBondContact O-N 2.64Å; R26-Y29 WeakPolarHBondContact O-CB 3.33Å; R26-Y29 PolarHBondContact O-N 3.38Å; Y29-W43 AromaticContact CD1-CH2 3.76Å; Y29-W43 HydrophobicContact CD1-CH2 3.76Å; Y29-W43 HydrophobicContact CD1-CZ3 4.44Å; Y29-W43 HydrophobicContact CD2-CH2 4.43Å; Y29-W43 HydrophobicContact CD2-CZ3 4.33Å; Y29-W43 AromaticContact CE1-CH2 3.71Å; Y29-W43 HydrophobicContact CE1-CH2 3.71Å; Y29-W43 HydrophobicContact CE1-CZ3 4.31Å; Y29-W43 HydrophobicContact CE2-CH2 4.37Å; Y29-W43 HydrophobicContact CE2-CZ3 4.18Å; Y29-W43 HydrophobicContact CG-CH2 4.15Å; Y29-W43 HydrophobicContact CG-CZ3 4.48Å; Y29-R57 HydrophobicContact CE1-CB 4.38Å; Y29-R57 HydrophobicContact CE1-CG 4.39Å; Y29-R57 WeakPolarHBondContact OH-CB 3.07Å; Y29-R57 PolarHBondContact OH-N 3.38Å
30	T	89.1	Confident	84.4	Confident	48 Å²	48	49.1 Å²	49.1	29%	0.294	26%	0.259	S	S	.	.	S	Bend	trans	-125	164.2	178.7	80.1	0	0	0	0	110.7	N28 E32 H33 C34	N28-T30 PolarHBondContact O-N 2.83Å; T30-E32 VanDerWaalsContact C-N 3.32Å; T30-E32 WeakPolarHBondContact CB-OE2 3.36Å; T30-E32 PolarHBondContact O-N 3.22Å; T30-E32 PolarHBondContact OG1-OE2 2.84Å; T30-H33 PolarHBondContact O-N 3.4Å; T30-H33 PolarHBondContact OG1-CD2 2.59Å; T30-H33 PolarHBondContact OG1-N 3.46Å; T30-C34 WeakPolarHBondContact O-CB 3.28Å; T30-C34 PolarHBondContact O-N 2.62Å
31	C	91.1	Very high	85.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-43.2	178.6	-170	0	0	0	0	111.7	C34 V35 W43 C453 C478	C31-C34 WeakPolarHBondContact O-CB 3.28Å; C31-C34 PolarHBondContact O-N 3.05Å; C31-V35 PolarHBondContact O-N 2.81Å; C31-W43 HydrophobicContact CB-CB 4.26Å; C31-W43 HydrophobicContact CB-CD2 3.97Å; C31-W43 HydrophobicContact CB-CG 3.7Å; C31-W43 WeakPolarHBondContact SG-CB 3.32Å; C31-C453 HydrophobicContact CB-CB 3.76Å; C31-C453 WeakPolarHBondContact CB-SG 3.3Å; C31-C453 PolarHBondContact O-SG 3.07Å; C31-C453 VanDerWaalsContact O-SG 3.37Å; C31-C453 WeakPolarHBondContact SG-CB 3.24Å; C31-C453 CovalentContact SG-SG 2.02Å; C31-C453 PolarHBondContact SG-SG 2.9Å; C31-C478 HydrophobicContact CB-CB 4.05Å
32	E	90.8	Very high	85.4	Confident	37 Å²	37	46.6 Å²	46.6	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-50.9	-178.5	-55.2	73	-152.5	0	0	110.3	T30 C34 V35 Q36 T456	T30-E32 VanDerWaalsContact C-N 3.32Å; T30-E32 WeakPolarHBondContact CB-OE2 3.36Å; T30-E32 PolarHBondContact O-N 3.22Å; T30-E32 PolarHBondContact OG1-OE2 2.84Å; E32-C34 VanDerWaalsContact C-N 3.26Å; E32-C34 PolarHBondContact O-N 3.12Å; E32-V35 VanDerWaalsContact O-CG2 3.27Å; E32-V35 WeakPolarHBondContact O-CG2 3.49Å; E32-V35 PolarHBondContact O-N 2.91Å; E32-Q36 WeakPolarHBondContact O-CB 3.41Å; E32-Q36 WeakPolarHBondContact O-CG 3.3Å; E32-Q36 PolarHBondContact O-N 3.31Å; E32-Q36 VanDerWaalsContact O-N 3.07Å; E32-Q36 PolarHBondContact O-NE2 3.26Å; E32-T456 WeakPolarHBondContact OE1-CG2 3.46Å
33	H	90.9	Very high	86	Confident	64 Å²	64	42.5 Å²	42.5	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-35.3	178.8	-82.6	-75.2	0	0	0	112.1	L24 N28 T30 Q36 Q37	L24-H33 HydrophobicContact CD2-CB 3.87Å; N28-H33 HydrophobicContact CB-CB 4.23Å; N28-H33 WeakPolarHBondContact O-CB 3.18Å; T30-H33 PolarHBondContact O-N 3.4Å; T30-H33 PolarHBondContact OG1-CD2 2.59Å; T30-H33 PolarHBondContact OG1-N 3.46Å; H33-Q36 PolarHBondContact O-N 2.84Å; H33-Q37 WeakPolarHBondContact O-CG 3.5Å; H33-Q37 PolarHBondContact O-N 3.4Å
34	C	92.7	Very high	86.8	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-51.2	174.1	179.1	0	0	0	0	112.5	L24 T30 C31 E32 Q36 Q37 C41 A42 W43 C58	L24-C34 HydrophobicContact CD1-CB 3.91Å; T30-C34 WeakPolarHBondContact O-CB 3.28Å; T30-C34 PolarHBondContact O-N 2.62Å; C31-C34 WeakPolarHBondContact O-CB 3.28Å; C31-C34 PolarHBondContact O-N 3.05Å; E32-C34 VanDerWaalsContact C-N 3.26Å; E32-C34 PolarHBondContact O-N 3.12Å; C34-Q36 PolarHBondContact O-N 2.74Å; C34-Q37 PolarHBondContact O-N 2.69Å; C34-Q37 VanDerWaalsContact O-N 3.13Å; C34-C41 WeakPolarHBondContact O-CB 2.95Å; C34-A42 PolarHBondContact SG-O 3.09Å; C34-A42 VanDerWaalsContact SG-O 3.36Å; C34-W43 HydrophobicContact CB-CD2 4.49Å; C34-W43 HydrophobicContact CB-CE3 3.61Å; C34-W43 HydrophobicContact CB-CZ3 4.21Å; C34-C58 WeakPolarHBondContact CA-SG 3.05Å; C34-C58 HydrophobicContact CB-CB 3.69Å; C34-C58 WeakPolarHBondContact CB-SG 3.22Å; C34-C58 WeakPolarHBondContact SG-CA 3.42Å; C34-C58 WeakPolarHBondContact SG-CB 3.12Å; C34-C58 CovalentContact SG-SG 2.02Å; C34-C58 PolarHBondContact SG-SG 3.07Å
35	V	91.7	Very high	87.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-19.6	-177.7	-61	0	0	0	0	112.5	C31 E32 P77 R114	C31-V35 PolarHBondContact O-N 2.81Å; E32-V35 VanDerWaalsContact O-CG2 3.27Å; E32-V35 WeakPolarHBondContact O-CG2 3.49Å; E32-V35 PolarHBondContact O-N 2.91Å; V35-P77 HydrophobicContact CG1-CG 4.48Å; V35-R114 VanDerWaalsContact C-NH2 3.32Å; V35-R114 VanDerWaalsContact O-CZ 3.28Å; V35-R114 PolarHBondContact O-NE 3.27Å; V35-R114 VanDerWaalsContact O-NE 3.1Å; V35-R114 PolarHBondContact O-NH2 3.11Å
36	Q	91.3	Very high	88.3	Confident	42 Å²	42	38.5 Å²	38.5	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-82.5	-18.6	174.5	-66.9	171.9	28.3	0	0	114.1	E32 H33 C34 P115 C424 C451	E32-Q36 WeakPolarHBondContact O-CB 3.41Å; E32-Q36 WeakPolarHBondContact O-CG 3.3Å; E32-Q36 PolarHBondContact O-N 3.31Å; E32-Q36 VanDerWaalsContact O-N 3.07Å; E32-Q36 PolarHBondContact O-NE2 3.26Å; H33-Q36 PolarHBondContact O-N 2.84Å; C34-Q36 PolarHBondContact O-N 2.74Å; Q36-P115 HydrophobicContact CG-CG 4.35Å; Q36-C424 VanDerWaalsContact CG-SG 3.55Å; Q36-C451 PolarHBondContact NE2-O 3.14Å
37	Q	88.2	Confident	89.1	Confident	54 Å²	54	37.1 Å²	37.1	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-49.9	-176.5	-75.4	-50.1	-43	0	0	112.7	L24 H33 C34 K116	L24-Q37 HydrophobicContact CD2-CG 3.62Å; L24-Q37 HydrophobicContact CG-CG 4.23Å; H33-Q37 WeakPolarHBondContact O-CG 3.5Å; H33-Q37 PolarHBondContact O-N 3.4Å; C34-Q37 PolarHBondContact O-N 2.69Å; C34-Q37 VanDerWaalsContact O-N 3.13Å; Q37-K116 WeakPolarHBondContact O-CD 3.17Å; Q37-K116 WeakPolarHBondContact O-CE 3.21Å; Q37-K116 PolarHBondContact O-NZ 2.96Å
38	H	91	Very high	89.7	Confident	75 Å²	75	32 Å²	32	35%	0.347	17%	0.172	S	C	.	.			trans	-164.3	146.5	-177.1	-171.5	-98.1	0	0	0	110.3	P20 S40 C41 R114	P20-H38 HydrophobicContact CB-CB 3.9Å; P20-H38 HydrophobicContact CG-CB 4.31Å; H38-S40 WeakPolarHBondContact ND1-CB 3.43Å; H38-S40 PolarHBondContact ND1-N 3.18Å; H38-S40 PolarHBondContact ND1-OG 3.42Å; H38-S40 PolarHBondContact O-N 3.2Å; H38-C41 WeakPolarHBondContact O-CB 3.34Å; H38-C41 PolarHBondContact O-N 2.94Å; H38-R114 PolarHBondContact O-NH2 3.07Å
39	P	90.5	Very high	89.9	Confident	20 Å²	20	29.7 Å²	29.7	13%	0.13	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.3	-178.5	-27.2	35.7	0	0	0	115.2	C41 R114 D117	P39-C41 VanDerWaalsContact C-N 3.33Å; P39-R114 PolarHBondContact O-NH1 3.44Å; P39-R114 VanDerWaalsContact O-NH1 3.1Å; P39-D117 HydrophobicContact CB-CB 4.16Å; P39-D117 HydrophobicContact CG-CB 3.58Å
40	S	91.3	Very high	89.6	Confident	41 Å²	41	27.5 Å²	27.5	29%	0.287	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.3	176.6	70.5	0	0	0	0	114	H38 T60	H38-S40 WeakPolarHBondContact ND1-CB 3.43Å; H38-S40 PolarHBondContact ND1-N 3.18Å; H38-S40 PolarHBondContact ND1-OG 3.42Å; H38-S40 PolarHBondContact O-N 3.2Å; S40-T60 WeakPolarHBondContact O-CA 3.48Å
41	C	93.6	Very high	88.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135	-176.7	-56.6	0	0	0	0	111.1	C21 C34 H38 P39 R114	C21-C41 WeakPolarHBondContact CA-SG 3.19Å; C21-C41 HydrophobicContact CB-CB 3.82Å; C21-C41 WeakPolarHBondContact CB-SG 3.39Å; C21-C41 PolarHBondContact N-SG 3.33Å; C21-C41 WeakPolarHBondContact SG-CA 3.33Å; C21-C41 WeakPolarHBondContact SG-CB 3.23Å; C21-C41 CovalentContact SG-SG 2.04Å; C21-C41 PolarHBondContact SG-SG 2.84Å; C34-C41 WeakPolarHBondContact O-CB 2.95Å; H38-C41 WeakPolarHBondContact O-CB 3.34Å; H38-C41 PolarHBondContact O-N 2.94Å; P39-C41 VanDerWaalsContact C-N 3.33Å; C41-R114 VanDerWaalsContact O-CZ 3.27Å; C41-R114 PolarHBondContact O-NH1 3.18Å; C41-R114 PolarHBondContact O-NH2 3.27Å
42	A	94.4	Very high	87.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.7	175.8	0	0	0	0	0	108.7	C34 C58 D59 L64 I74 E75 N76	C34-A42 PolarHBondContact SG-O 3.09Å; C34-A42 VanDerWaalsContact SG-O 3.36Å; A42-C58 WeakPolarHBondContact O-CA 3.48Å; A42-D59 WeakPolarHBondContact CA-O 3.41Å; A42-D59 PolarHBondContact N-O 3.36Å; A42-D59 PolarHBondContact O-N 2.87Å; A42-D59 VanDerWaalsContact O-O 3.04Å; A42-L64 HydrophobicContact CB-CD1 3.84Å; A42-I74 HydrophobicContact CB-CG2 3.88Å; A42-E75 WeakPolarHBondContact CA-O 3.45Å; A42-N76 HydrophobicContact CB-CB 3.85Å
43	W	93.9	Very high	85.9	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129	-175.9	-179.9	-91.2	0	0	0	112.2	Y29 C31 C34 R57 C58 I74 E75 C478 A480	Y29-W43 AromaticContact CD1-CH2 3.76Å; Y29-W43 HydrophobicContact CD1-CH2 3.76Å; Y29-W43 HydrophobicContact CD1-CZ3 4.44Å; Y29-W43 HydrophobicContact CD2-CH2 4.43Å; Y29-W43 HydrophobicContact CD2-CZ3 4.33Å; Y29-W43 AromaticContact CE1-CH2 3.71Å; Y29-W43 HydrophobicContact CE1-CH2 3.71Å; Y29-W43 HydrophobicContact CE1-CZ3 4.31Å; Y29-W43 HydrophobicContact CE2-CH2 4.37Å; Y29-W43 HydrophobicContact CE2-CZ3 4.18Å; Y29-W43 HydrophobicContact CG-CH2 4.15Å; Y29-W43 HydrophobicContact CG-CZ3 4.48Å; C31-W43 HydrophobicContact CB-CB 4.26Å; C31-W43 HydrophobicContact CB-CD2 3.97Å; C31-W43 HydrophobicContact CB-CG 3.7Å; C31-W43 WeakPolarHBondContact SG-CB 3.32Å; C34-W43 HydrophobicContact CB-CD2 4.49Å; C34-W43 HydrophobicContact CB-CE3 3.61Å; C34-W43 HydrophobicContact CB-CZ3 4.21Å; W43-R57 CarbonylContact C-O 3.55Å; W43-R57 VanDerWaalsContact CA-O 3.25Å; W43-R57 WeakPolarHBondContact CA-O 3.44Å; W43-R57 HydrophobicContact CD2-CB 3.9Å; W43-R57 HydrophobicContact CE3-CB 3.78Å; W43-R57 HydrophobicContact CH2-CB 3.73Å; W43-R57 HydrophobicContact CH2-CG 4.45Å; W43-R57 HydrophobicContact CZ2-CB 3.82Å; W43-R57 VanDerWaalsContact CZ2-CD 3.49Å; W43-R57 HydrophobicContact CZ2-CG 4.3Å; W43-R57 HydrophobicContact CZ3-CB 3.7Å; W43-C58 HydrophobicContact CE3-CB 3.88Å; W43-C58 HydrophobicContact CZ3-CB 4.02Å; W43-I74 CarbonylContact O-C 2.79Å; W43-I74 WeakPolarHBondContact O-CA 3.44Å; W43-E75 HydrophobicContact CB-CB 4.26Å; W43-E75 PolarHBondContact N-O 2.8Å; W43-E75 PolarHBondContact O-N 3.1Å; W43-C478 PolarHBondContact NE1-O 2.97Å; W43-A480 HydrophobicContact CZ2-CB 4.03Å
44	C	92.7	Very high	84.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.4	173.3	-175.2	0	0	0	0	111.9	M46 Y49 R57 L64 C69	C44-M46 VanDerWaalsContact SG-CB 3.59Å; C44-Y49 HydrophobicContact CB-CD1 3.77Å; C44-Y49 HydrophobicContact CB-CE1 3.88Å; C44-Y49 HydrophobicContact CB-CG 4.08Å; C44-Y49 VanDerWaalsContact SG-CD2 3.59Å; C44-R57 PolarHBondContact N-O 3.13Å; C44-R57 PolarHBondContact O-NH1 3.19Å; C44-L64 HydrophobicContact CB-CD1 4.29Å; C44-L64 HydrophobicContact CB-CD2 4.09Å; C44-C69 HydrophobicContact CB-CB 3.92Å; C44-C69 WeakPolarHBondContact CB-SG 3.4Å; C44-C69 WeakPolarHBondContact SG-CB 3.25Å; C44-C69 CovalentContact SG-SG 2.04Å; C44-C69 PolarHBondContact SG-SG 2.77Å
45	T	90.4	Very high	84.1	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.117	22%	0.22	C	C	.	.			trans	-88.3	-4	178.7	65.7	0	0	0	0	114.2	P47 L73 E75 C455 C478 G479	T45-P47 WeakPolarHBondContact O-CD 3.27Å; T45-L73 WeakPolarHBondContact CB-O 3.49Å; T45-L73 PolarHBondContact N-O 3.22Å; T45-L73 WeakPolarHBondContact OG1-CA 3.31Å; T45-L73 PolarHBondContact OG1-O 3.03Å; T45-E75 HydrophobicContact CG2-CG 3.56Å; T45-C455 HydrophobicContact CG2-CB 4.03Å; T45-C478 WeakPolarHBondContact CA-O 3.28Å; T45-C478 HydrophobicContact CG2-CB 4.18Å; T45-G479 WeakPolarHBondContact O-CA 3.46Å
46	M	88.3	Confident	83.9	Confident	54 Å²	54	44.6 Å²	44.6	27%	0.266	23%	0.23	S	C	.	.			trans	-61.6	121.2	179.5	-176.8	178.9	179.9	0	0	111.2	C44 G48 Y49 R57 F70 L73	C44-M46 VanDerWaalsContact SG-CB 3.59Å; M46-G48 PolarHBondContact O-N 3.38Å; M46-Y49 WeakPolarHBondContact O-CB 3.29Å; M46-Y49 PolarHBondContact O-N 3.47Å; M46-R57 PolarHBondContact O-NH1 3.18Å; M46-R57 PolarHBondContact O-NH2 3.43Å; M46-F70 HydrophobicContact CE-CD2 4.36Å; M46-F70 HydrophobicContact CE-CE2 3.92Å; M46-F70 HydrophobicContact SD-CD2 4.1Å; M46-F70 HydrophobicContact SD-CE2 4.23Å; M46-L73 HydrophobicContact CB-CB 4.34Å; M46-L73 HydrophobicContact CB-CD1 3.73Å; M46-L73 HydrophobicContact CG-CD1 3.92Å
47	P	83.4	Confident	83.8	Confident	70 Å²	70	42.6 Å²	42.6	46%	0.455	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.4	174.3	-24.3	35	0	0	0	111.4	T45 Y49 L476	T45-P47 WeakPolarHBondContact O-CD 3.27Å; P47-Y49 VanDerWaalsContact C-N 3.29Å; P47-Y49 PolarHBondContact O-N 2.92Å; P47-L476 HydrophobicContact CG-CD2 4.44Å
48	G	82.4	Confident	84.1	Confident	19 Å²	19	40 Å²	40	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-0.3	-179.7	0	0	0	0	0	116.7	M46 D50 D51 Y469	M46-G48 PolarHBondContact O-N 3.38Å; G48-D50 VanDerWaalsContact C-N 3.27Å; G48-D50 PolarHBondContact O-N 2.85Å; G48-D51 VanDerWaalsContact CA-CG 3.41Å; G48-D51 WeakPolarHBondContact CA-OD2 3.46Å; G48-D51 VanDerWaalsContact O-CB 3.23Å; G48-D51 WeakPolarHBondContact O-CB 3.28Å; G48-D51 VanDerWaalsContact O-CG 3.31Å; G48-D51 PolarHBondContact O-N 3.35Å; G48-Y469 VanDerWaalsContact CA-OH 3.25Å; G48-Y469 WeakPolarHBondContact CA-OH 3.49Å; G48-Y469 PolarHBondContact N-OH 3.26Å; G48-Y469 VanDerWaalsContact N-OH 3.12Å
49	Y	85	Confident	84.1	Confident	19 Å²	19	36.5 Å²	36.5	8%	0.075	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.3	-179.3	174.9	-97.7	0	0	0	113.7	C44 M46 P47 H55 S56 R57 L64 N67 C69	C44-Y49 HydrophobicContact CB-CD1 3.77Å; C44-Y49 HydrophobicContact CB-CE1 3.88Å; C44-Y49 HydrophobicContact CB-CG 4.08Å; C44-Y49 VanDerWaalsContact SG-CD2 3.59Å; M46-Y49 WeakPolarHBondContact O-CB 3.29Å; M46-Y49 PolarHBondContact O-N 3.47Å; P47-Y49 VanDerWaalsContact C-N 3.29Å; P47-Y49 PolarHBondContact O-N 2.92Å; Y49-H55 HydrophobicContact CE1-CB 3.91Å; Y49-S56 WeakPolarHBondContact CE1-O 3.13Å; Y49-R57 HydrophobicContact CD1-CG 4.05Å; Y49-L64 HydrophobicContact CE1-CD2 3.89Å; Y49-L64 VanDerWaalsContact OH-CD2 3.27Å; Y49-L64 WeakPolarHBondContact OH-CD2 3.24Å; Y49-N67 HydrophobicContact CE2-CB 4.04Å; Y49-N67 WeakPolarHBondContact OH-CB 3.48Å; Y49-C69 HydrophobicContact CD2-CB 3.96Å; Y49-C69 HydrophobicContact CE2-CB 3.66Å
50	D	79.6	Confident	84.2	Confident	13 Å²	13	36.5 Å²	36.5	7%	0.07	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	15	176	61	-16.5	0	0	0	113.7	G48 N52 N53 H55 R57 R490	G48-D50 VanDerWaalsContact C-N 3.27Å; G48-D50 PolarHBondContact O-N 2.85Å; D50-N52 PolarHBondContact O-N 2.57Å; D50-N53 PolarHBondContact O-N 3.47Å; D50-H55 WeakPolarHBondContact CB-O 3.42Å; D50-R57 HydrophobicContact CB-CG 4.12Å; D50-R57 IonicContact OD1-CZ 2.71Å; D50-R57 IonicContact OD1-NE 3.6Å; D50-R57 PolarHBondContact OD1-NE 3.23Å; D50-R57 IonicContact OD1-NH2 3.12Å; D50-R57 PolarHBondContact OD1-NH2 3.38Å; D50-R57 WeakPolarHBondContact OD2-CD 3.41Å; D50-R57 IonicContact OD2-CZ 3.32Å; D50-R57 IonicContact OD2-NE 2.76Å; D50-R57 PolarHBondContact OD2-NE 3.15Å; D50-R490 PolarHBondContact O-NH1 2.95Å
51	D	73.9	Confident	84.3	Confident	51 Å²	51	36.7 Å²	36.7	27%	0.273	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-62.3	136	172.8	-73.1	-20.5	0	0	0	109.7	G48 N53 Y469 R491	G48-D51 VanDerWaalsContact CA-CG 3.41Å; G48-D51 WeakPolarHBondContact CA-OD2 3.46Å; G48-D51 VanDerWaalsContact O-CB 3.23Å; G48-D51 WeakPolarHBondContact O-CB 3.28Å; G48-D51 VanDerWaalsContact O-CG 3.31Å; G48-D51 PolarHBondContact O-N 3.35Å; D51-N53 VanDerWaalsContact C-N 3.34Å; D51-N53 PolarHBondContact O-N 3.08Å; D51-Y469 PolarHBondContact OD1-OH 3.4Å; D51-R491 IonicContact OD1-CZ 3.04Å; D51-R491 IonicContact OD1-NE 3.94Å; D51-R491 IonicContact OD1-NH2 3.58Å; D51-R491 PolarHBondContact OD1-NH2 3.15Å; D51-R491 IonicContact OD2-CZ 2.75Å; D51-R491 IonicContact OD2-NH2 3.72Å; D51-R491 PolarHBondContact OD2-NH2 3.45Å
52	N	60.9	Low	84.2	Confident	131 Å²	131	42.3 Å²	42.3	70%	0.701	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	63.3	22.3	-177.8	-50	-67.2	0	0	0	116.6	D50 R54	D50-N52 PolarHBondContact O-N 2.57Å; N52-R54 VanDerWaalsContact C-N 3.26Å; N52-R54 PolarHBondContact O-N 3.31Å
53	N	58.2	Low	84	Confident	52 Å²	52	46.9 Å²	46.9	28%	0.278	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	62.4	20.8	173.5	-73.4	-46.3	0	0	0	117.7	D50 D51 R490 D524 F533	D50-N53 PolarHBondContact O-N 3.47Å; D51-N53 VanDerWaalsContact C-N 3.34Å; D51-N53 PolarHBondContact O-N 3.08Å; N53-R490 VanDerWaalsContact CG-NH1 3.31Å; N53-R490 PolarHBondContact ND2-NH2 3.42Å; N53-R490 PolarHBondContact OD1-NH1 3.27Å; N53-R490 PolarHBondContact OD1-NH2 3.01Å; N53-D524 WeakPolarHBondContact ND2-CB 3.45Å; N53-D524 PolarHBondContact ND2-OD2 2.97Å; N53-D524 PolarHBondContact OD1-OD2 3.32Å; N53-F533 HydrophobicContact CB-CE1 4.22Å
54	R	65.5	Low	84	Confident	183 Å²	183	46.8 Å²	46.8	69%	0.691	23%	0.233	S	C	*	.	S	Bend	trans	-71.5	-40.4	-178	-65.2	-174.8	175.3	-173.8	-2.1	111.7	N52	N52-R54 VanDerWaalsContact C-N 3.26Å; N52-R54 PolarHBondContact O-N 3.31Å
55	H	80.1	Confident	83.9	Confident	63 Å²	63	50.8 Å²	50.8	29%	0.292	25%	0.25	S	S	.	.			trans	-144.6	140	-169.6	-51.4	-58.8	0	0	0	112	Y49 D50 N67	Y49-H55 HydrophobicContact CE1-CB 3.91Å; D50-H55 WeakPolarHBondContact CB-O 3.42Å; H55-N67 HydrophobicContact CB-CB 4.19Å; H55-N67 VanDerWaalsContact CE1-CG 3.42Å; H55-N67 PolarHBondContact CE1-OD1 3.11Å; H55-N67 VanDerWaalsContact CE1-OD1 3.28Å; H55-N67 VanDerWaalsContact CG-CG 3.48Å; H55-N67 PolarHBondContact ND1-ND2 3.48Å; H55-N67 VanDerWaalsContact ND1-ND2 3.13Å; H55-N67 PolarHBondContact ND1-OD1 3.47Å
56	S	86.7	Confident	83.9	Confident	29 Å²	29	56.3 Å²	56.3	20%	0.203	28%	0.279	C	S	.	.			trans	-76.8	139.1	171.7	-174.4	0	0	0	0	110.3	Y49 C58	Y49-S56 WeakPolarHBondContact CE1-O 3.13Å; S56-C58 PolarHBondContact O-N 3.18Å; S56-C58 PolarHBondContact OG-N 3.02Å; S56-C58 PolarHBondContact OG-O 3.44Å
57	R	90.8	Very high	84	Confident	1 Å²	1	56 Å²	56	0%	0.004	28%	0.278	C	S	.	.	S	Bend	trans	-65.2	-31.1	172	-68.9	179.3	179.9	-86	-2.5	111.6	Y29 W43 C44 M46 Y49 D50 G479	Y29-R57 HydrophobicContact CE1-CB 4.38Å; Y29-R57 HydrophobicContact CE1-CG 4.39Å; Y29-R57 WeakPolarHBondContact OH-CB 3.07Å; Y29-R57 PolarHBondContact OH-N 3.38Å; W43-R57 CarbonylContact C-O 3.55Å; W43-R57 VanDerWaalsContact CA-O 3.25Å; W43-R57 WeakPolarHBondContact CA-O 3.44Å; W43-R57 HydrophobicContact CD2-CB 3.9Å; W43-R57 HydrophobicContact CE3-CB 3.78Å; W43-R57 HydrophobicContact CH2-CB 3.73Å; W43-R57 HydrophobicContact CH2-CG 4.45Å; W43-R57 HydrophobicContact CZ2-CB 3.82Å; W43-R57 VanDerWaalsContact CZ2-CD 3.49Å; W43-R57 HydrophobicContact CZ2-CG 4.3Å; W43-R57 HydrophobicContact CZ3-CB 3.7Å; C44-R57 PolarHBondContact N-O 3.13Å; C44-R57 PolarHBondContact O-NH1 3.19Å; M46-R57 PolarHBondContact O-NH1 3.18Å; M46-R57 PolarHBondContact O-NH2 3.43Å; Y49-R57 HydrophobicContact CD1-CG 4.05Å; D50-R57 HydrophobicContact CB-CG 4.12Å; D50-R57 IonicContact OD1-CZ 2.71Å; D50-R57 IonicContact OD1-NE 3.6Å; D50-R57 PolarHBondContact OD1-NE 3.23Å; D50-R57 IonicContact OD1-NH2 3.12Å; D50-R57 PolarHBondContact OD1-NH2 3.38Å; D50-R57 WeakPolarHBondContact OD2-CD 3.41Å; D50-R57 IonicContact OD2-CZ 3.32Å; D50-R57 IonicContact OD2-NE 2.76Å; D50-R57 PolarHBondContact OD2-NE 3.15Å; R57-G479 PolarHBondContact NH1-O 3.42Å; R57-G479 PolarHBondContact NH2-O 3.45Å
58	C	92.6	Very high	84.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	102.6	175.7	-169.1	0	0	0	0	110.4	C21 H22 L24 C34 A42 W43 S56	C21-C58 WeakPolarHBondContact CB-O 3.47Å; C21-C58 PolarHBondContact O-SG 2.95Å; H22-C58 PolarHBondContact CD2-O 2.81Å; H22-C58 VanDerWaalsContact CD2-O 3.27Å; L24-C58 HydrophobicContact CD1-CB 3.74Å; C34-C58 WeakPolarHBondContact CA-SG 3.05Å; C34-C58 HydrophobicContact CB-CB 3.69Å; C34-C58 WeakPolarHBondContact CB-SG 3.22Å; C34-C58 WeakPolarHBondContact SG-CA 3.42Å; C34-C58 WeakPolarHBondContact SG-CB 3.12Å; C34-C58 CovalentContact SG-SG 2.02Å; C34-C58 PolarHBondContact SG-SG 3.07Å; A42-C58 WeakPolarHBondContact O-CA 3.48Å; W43-C58 HydrophobicContact CE3-CB 3.88Å; W43-C58 HydrophobicContact CZ3-CB 4.02Å; S56-C58 PolarHBondContact O-N 3.18Å; S56-C58 PolarHBondContact OG-N 3.02Å; S56-C58 PolarHBondContact OG-O 3.44Å
59	D	92.6	Very high	84.6	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	176.9	-177.9	-142.9	-46.1	0	0	0	111	F19 H22 A42 R63 L64	F19-D59 WeakPolarHBondContact CE1-OD1 3.31Å; F19-D59 VanDerWaalsContact CZ-OD1 3.31Å; F19-D59 WeakPolarHBondContact CZ-OD1 3.2Å; H22-D59 IonicContact CE1-OD2 3.94Å; H22-D59 PolarHBondContact CE1-OD2 2.83Å; H22-D59 IonicContact NE2-OD1 2.85Å; H22-D59 IonicContact NE2-OD2 3.2Å; H22-D59 PolarHBondContact NE2-OD2 2.94Å; A42-D59 WeakPolarHBondContact CA-O 3.41Å; A42-D59 PolarHBondContact N-O 3.36Å; A42-D59 PolarHBondContact O-N 2.87Å; A42-D59 VanDerWaalsContact O-O 3.04Å; D59-R63 HydrophobicContact CB-CB 4.4Å; D59-R63 VanDerWaalsContact CG-NH1 3.3Å; D59-R63 VanDerWaalsContact OD1-CD 3.22Å; D59-R63 WeakPolarHBondContact OD1-CD 3.37Å; D59-R63 IonicContact OD1-CZ 3.75Å; D59-R63 IonicContact OD1-NE 3.95Å; D59-R63 PolarHBondContact OD1-NE 2.03Å; D59-R63 IonicContact OD1-NH1 3.94Å; D59-R63 PolarHBondContact OD1-NH1 3.1Å; D59-R63 IonicContact OD2-CZ 3.47Å; D59-R63 IonicContact OD2-NE 3.96Å; D59-R63 IonicContact OD2-NH1 3.26Å; D59-R63 PolarHBondContact OD2-NH1 3.21Å; D59-R63 IonicContact OD2-NH2 2.7Å; D59-L64 HydrophobicContact CB-CD2 3.59Å; D59-L64 HydrophobicContact CB-CG 3.95Å
60	T	92.2	Very high	84.9	Confident	20 Å²	20	59 Å²	59	12%	0.123	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	150	168.3	44.1	0	0	0	0	111.6	F19 S40 E62 R63 L64	F19-T60 HydrophobicContact CE1-CG2 4.12Å; F19-T60 HydrophobicContact CE2-CG2 4.04Å; F19-T60 HydrophobicContact CZ-CG2 3.28Å; F19-T60 WeakPolarHBondContact CZ-OG1 3.17Å; S40-T60 WeakPolarHBondContact O-CA 3.48Å; T60-E62 VanDerWaalsContact C-N 3.25Å; T60-E62 PolarHBondContact O-N 3.15Å; T60-R63 PolarHBondContact O-N 3.21Å; T60-R63 VanDerWaalsContact O-N 3.07Å; T60-R63 WeakPolarHBondContact OG1-CB 3.48Å; T60-R63 WeakPolarHBondContact OG1-CG 3.3Å; T60-L64 WeakPolarHBondContact O-CG 3.17Å; T60-L64 PolarHBondContact O-N 3.43Å
61	L	92.6	Very high	85.3	Confident	44 Å²	44	63.1 Å²	63.1	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-48.6	-47.1	176.2	-179.9	63.5	0	0	0	112.3	R63 L64 K65 I74	L61-R63 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.34Å; L61-K65 WeakPolarHBondContact O-CG 3.16Å; L61-K65 PolarHBondContact O-N 3.23Å; L61-K65 VanDerWaalsContact O-N 3.1Å; L61-I74 HydrophobicContact CD1-CB 4.48Å; L61-I74 HydrophobicContact CD1-CD1 3.95Å; L61-I74 HydrophobicContact CD1-CG2 3.78Å
62	E	91.5	Very high	86.1	Confident	118 Å²	118	67.1 Å²	67.1	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-42	-178.1	-62	76.2	-164.6	0	0	111.8	T60 K65 N66	T60-E62 VanDerWaalsContact C-N 3.25Å; T60-E62 PolarHBondContact O-N 3.15Å; E62-K65 PolarHBondContact O-N 2.78Å; E62-N66 WeakPolarHBondContact O-CB 3.5Å; E62-N66 PolarHBondContact O-N 3.32Å; E62-N66 PolarHBondContact O-ND2 3.31Å
63	R	91.3	Very high	87.4	Confident	96 Å²	96	63.1 Å²	63.1	36%	0.362	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-39.3	178.8	-71.9	-177.3	66.2	-156.4	10.7	112	H22 D59 T60 L61 K65 N66 N67	H22-R63 PolarHBondContact CE1-NH1 3.24Å; H22-R63 VanDerWaalsContact CE1-NH1 3.25Å; D59-R63 HydrophobicContact CB-CB 4.4Å; D59-R63 VanDerWaalsContact CG-NH1 3.3Å; D59-R63 VanDerWaalsContact OD1-CD 3.22Å; D59-R63 WeakPolarHBondContact OD1-CD 3.37Å; D59-R63 IonicContact OD1-CZ 3.75Å; D59-R63 IonicContact OD1-NE 3.95Å; D59-R63 PolarHBondContact OD1-NE 2.03Å; D59-R63 IonicContact OD1-NH1 3.94Å; D59-R63 PolarHBondContact OD1-NH1 3.1Å; D59-R63 IonicContact OD2-CZ 3.47Å; D59-R63 IonicContact OD2-NE 3.96Å; D59-R63 IonicContact OD2-NH1 3.26Å; D59-R63 PolarHBondContact OD2-NH1 3.21Å; D59-R63 IonicContact OD2-NH2 2.7Å; T60-R63 PolarHBondContact O-N 3.21Å; T60-R63 VanDerWaalsContact O-N 3.07Å; T60-R63 WeakPolarHBondContact OG1-CB 3.48Å; T60-R63 WeakPolarHBondContact OG1-CG 3.3Å; L61-R63 PolarHBondContact O-N 3.04Å; R63-K65 VanDerWaalsContact C-N 3.34Å; R63-K65 PolarHBondContact O-N 2.66Å; R63-N66 PolarHBondContact O-N 2.82Å; R63-N67 VanDerWaalsContact O-CB 3.26Å; R63-N67 WeakPolarHBondContact O-CB 3.25Å; R63-N67 PolarHBondContact O-N 2.87Å; R63-N67 PolarHBondContact O-ND2 3.39Å
64	L	93.1	Very high	89.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-44.4	175.6	-65.7	-178.1	0	0	0	111.7	A42 C44 Y49 D59 T60 L61 N67 G68 C69 I74	A42-L64 HydrophobicContact CB-CD1 3.84Å; C44-L64 HydrophobicContact CB-CD1 4.29Å; C44-L64 HydrophobicContact CB-CD2 4.09Å; Y49-L64 HydrophobicContact CE1-CD2 3.89Å; Y49-L64 VanDerWaalsContact OH-CD2 3.27Å; Y49-L64 WeakPolarHBondContact OH-CD2 3.24Å; D59-L64 HydrophobicContact CB-CD2 3.59Å; D59-L64 HydrophobicContact CB-CG 3.95Å; T60-L64 WeakPolarHBondContact O-CG 3.17Å; T60-L64 PolarHBondContact O-N 3.43Å; L61-L64 PolarHBondContact O-N 3.34Å; L64-N67 PolarHBondContact O-N 3.24Å; L64-G68 PolarHBondContact O-N 2.8Å; L64-C69 HydrophobicContact CB-CB 4.19Å; L64-C69 WeakPolarHBondContact O-CB 3.35Å; L64-C69 PolarHBondContact O-N 3.27Å; L64-I74 HydrophobicContact CB-CD1 3.97Å; L64-I74 HydrophobicContact CB-CG1 4.46Å; L64-I74 HydrophobicContact CD1-CG1 4.43Å; L64-I74 HydrophobicContact CD1-CG2 4Å
65	K	91.7	Very high	90.3	Very high	84 Å²	84	53.8 Å²	53.8	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-47.9	175.6	-67.9	-176.2	-169.9	-136.4	0	112.1	L61 E62 R63 N67 G68 D71 I74	L61-K65 WeakPolarHBondContact O-CG 3.16Å; L61-K65 PolarHBondContact O-N 3.23Å; L61-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 PolarHBondContact O-N 2.78Å; R63-K65 VanDerWaalsContact C-N 3.34Å; R63-K65 PolarHBondContact O-N 2.66Å; K65-N67 PolarHBondContact O-N 3.05Å; K65-G68 PolarHBondContact O-N 3.38Å; K65-D71 VanDerWaalsContact CD-OD1 3.24Å; K65-D71 WeakPolarHBondContact CD-OD1 3.47Å; K65-D71 WeakPolarHBondContact CE-OD1 3.29Å; K65-D71 WeakPolarHBondContact CG-OD1 3.24Å; K65-D71 IonicContact NZ-OD1 3.19Å; K65-D71 PolarHBondContact NZ-OD1 2.84Å; K65-D71 IonicContact NZ-OD2 2.83Å; K65-D71 PolarHBondContact NZ-OD2 3.03Å; K65-I74 HydrophobicContact CG-CD1 3.9Å
66	N	89.7	Confident	90.9	Very high	135 Å²	135	52.1 Å²	52.1	72%	0.722	27%	0.27	S	S	*	.	H	α-helix	trans	-60.8	-30.4	179.3	-71.7	-14.7	0	0	0	112.7	E62 R63 G68	E62-N66 WeakPolarHBondContact O-CB 3.5Å; E62-N66 PolarHBondContact O-N 3.32Å; E62-N66 PolarHBondContact O-ND2 3.31Å; R63-N66 PolarHBondContact O-N 2.82Å; N66-G68 VanDerWaalsContact C-N 3.31Å
67	N	89.4	Confident	91.2	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.1	178.2	-65.5	-20.4	0	0	0	113.2	Y49 H55 R63 L64 K65	Y49-N67 HydrophobicContact CE2-CB 4.04Å; Y49-N67 WeakPolarHBondContact OH-CB 3.48Å; H55-N67 HydrophobicContact CB-CB 4.19Å; H55-N67 VanDerWaalsContact CE1-CG 3.42Å; H55-N67 PolarHBondContact CE1-OD1 3.11Å; H55-N67 VanDerWaalsContact CE1-OD1 3.28Å; H55-N67 VanDerWaalsContact CG-CG 3.48Å; H55-N67 PolarHBondContact ND1-ND2 3.48Å; H55-N67 VanDerWaalsContact ND1-ND2 3.13Å; H55-N67 PolarHBondContact ND1-OD1 3.47Å; R63-N67 VanDerWaalsContact O-CB 3.26Å; R63-N67 WeakPolarHBondContact O-CB 3.25Å; R63-N67 PolarHBondContact O-N 2.87Å; R63-N67 PolarHBondContact O-ND2 3.39Å; L64-N67 PolarHBondContact O-N 3.24Å; K65-N67 PolarHBondContact O-N 3.05Å
68	G	89	Confident	91.2	Very high	43 Å²	43	57.7 Å²	57.7	44%	0.443	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	11.8	170.6	0	0	0	0	0	116.3	L64 K65 N66	L64-G68 PolarHBondContact O-N 2.8Å; K65-G68 PolarHBondContact O-N 3.38Å; N66-G68 VanDerWaalsContact C-N 3.31Å
69	C	91	Very high	91.2	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.034	30%	0.303	C	S	.	.			trans	-74.6	128.9	170.2	-164.3	0	0	0	0	110.2	C44 Y49 L64 I74	C44-C69 HydrophobicContact CB-CB 3.92Å; C44-C69 WeakPolarHBondContact CB-SG 3.4Å; C44-C69 WeakPolarHBondContact SG-CB 3.25Å; C44-C69 CovalentContact SG-SG 2.04Å; C44-C69 PolarHBondContact SG-SG 2.77Å; Y49-C69 HydrophobicContact CD2-CB 3.96Å; Y49-C69 HydrophobicContact CE2-CB 3.66Å; L64-C69 HydrophobicContact CB-CB 4.19Å; L64-C69 WeakPolarHBondContact O-CB 3.35Å; L64-C69 PolarHBondContact O-N 3.27Å; C69-I74 HydrophobicContact CB-CD1 4.19Å; C69-I74 HydrophobicContact CB-CG1 4.1Å; C69-I74 WeakPolarHBondContact SG-CG1 3.36Å
70	F	90.1	Very high	91.3	Very high	123 Å²	123	61.5 Å²	61.5	54%	0.539	32%	0.322	S	S	.	.			trans	-72.1	143.4	176.5	-59.6	-67.9	0	0	0	111.8	M46 D72 L73 I74	M46-F70 HydrophobicContact CE-CD2 4.36Å; M46-F70 HydrophobicContact CE-CE2 3.92Å; M46-F70 HydrophobicContact SD-CD2 4.1Å; M46-F70 HydrophobicContact SD-CE2 4.23Å; F70-D72 VanDerWaalsContact C-N 3.28Å; F70-D72 WeakPolarHBondContact CB-OD1 3.43Å; F70-D72 PolarHBondContact O-N 3.06Å; F70-L73 HydrophobicContact CB-CD1 4.38Å; F70-L73 HydrophobicContact CB-CG 4.47Å; F70-L73 HydrophobicContact CD2-CD1 4.09Å; F70-L73 CarbonylContact O-C 3.56Å; F70-L73 WeakPolarHBondContact O-CA 3.43Å; F70-L73 PolarHBondContact O-N 3.44Å; F70-I74 WeakPolarHBondContact O-CG1 3.24Å; F70-I74 PolarHBondContact O-N 2.69Å
71	D	89	Confident	91.5	Very high	99 Å²	99	65.4 Å²	65.4	53%	0.529	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-56.9	-37	-174.4	-80	-5.8	0	0	0	114	K65 L73 I74	K65-D71 VanDerWaalsContact CD-OD1 3.24Å; K65-D71 WeakPolarHBondContact CD-OD1 3.47Å; K65-D71 WeakPolarHBondContact CE-OD1 3.29Å; K65-D71 WeakPolarHBondContact CG-OD1 3.24Å; K65-D71 IonicContact NZ-OD1 3.19Å; K65-D71 PolarHBondContact NZ-OD1 2.84Å; K65-D71 IonicContact NZ-OD2 2.83Å; K65-D71 PolarHBondContact NZ-OD2 3.03Å; D71-L73 PolarHBondContact O-N 3.31Å; D71-I74 PolarHBondContact O-N 2.9Å
72	D	89.3	Confident	91.6	Very high	135 Å²	135	65.7 Å²	65.7	72%	0.722	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-72	-15.7	178	61.7	-50.7	0	0	0	113.6	F70	F70-D72 VanDerWaalsContact C-N 3.28Å; F70-D72 WeakPolarHBondContact CB-OD1 3.43Å; F70-D72 PolarHBondContact O-N 3.06Å
73	L	89.5	Confident	91.9	Very high	48 Å²	48	63.8 Å²	63.8	25%	0.251	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-101.7	6.4	175.8	-60.5	178.3	0	0	0	112.6	T45 M46 F70 D71	T45-L73 WeakPolarHBondContact CB-O 3.49Å; T45-L73 PolarHBondContact N-O 3.22Å; T45-L73 WeakPolarHBondContact OG1-CA 3.31Å; T45-L73 PolarHBondContact OG1-O 3.03Å; M46-L73 HydrophobicContact CB-CB 4.34Å; M46-L73 HydrophobicContact CB-CD1 3.73Å; M46-L73 HydrophobicContact CG-CD1 3.92Å; F70-L73 HydrophobicContact CB-CD1 4.38Å; F70-L73 HydrophobicContact CB-CG 4.47Å; F70-L73 HydrophobicContact CD2-CD1 4.09Å; F70-L73 CarbonylContact O-C 3.56Å; F70-L73 WeakPolarHBondContact O-CA 3.43Å; F70-L73 PolarHBondContact O-N 3.44Å; D71-L73 PolarHBondContact O-N 3.31Å
74	I	92.4	Very high	92.2	Very high	20 Å²	20	63.5 Å²	63.5	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.5	176.1	-62.2	170.1	0	0	0	110.3	A42 W43 L61 L64 K65 C69 F70 D71 N76	A42-I74 HydrophobicContact CB-CG2 3.88Å; W43-I74 CarbonylContact O-C 2.79Å; W43-I74 WeakPolarHBondContact O-CA 3.44Å; L61-I74 HydrophobicContact CD1-CB 4.48Å; L61-I74 HydrophobicContact CD1-CD1 3.95Å; L61-I74 HydrophobicContact CD1-CG2 3.78Å; L64-I74 HydrophobicContact CB-CD1 3.97Å; L64-I74 HydrophobicContact CB-CG1 4.46Å; L64-I74 HydrophobicContact CD1-CG1 4.43Å; L64-I74 HydrophobicContact CD1-CG2 4Å; K65-I74 HydrophobicContact CG-CD1 3.9Å; C69-I74 HydrophobicContact CB-CD1 4.19Å; C69-I74 HydrophobicContact CB-CG1 4.1Å; C69-I74 WeakPolarHBondContact SG-CG1 3.36Å; F70-I74 WeakPolarHBondContact O-CG1 3.24Å; F70-I74 PolarHBondContact O-N 2.69Å; D71-I74 PolarHBondContact O-N 2.9Å; I74-N76 HydrophobicContact CG2-CB 4.26Å
75	E	92.4	Very high	92.3	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.084	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.7	169.4	-67.4	-71.8	159.8	0	0	109.5	A42 W43 T45 C453 S454 C455	A42-E75 WeakPolarHBondContact CA-O 3.45Å; W43-E75 HydrophobicContact CB-CB 4.26Å; W43-E75 PolarHBondContact N-O 2.8Å; W43-E75 PolarHBondContact O-N 3.1Å; T45-E75 HydrophobicContact CG2-CG 3.56Å; E75-C453 HydrophobicContact CB-CB 4.36Å; E75-C453 HydrophobicContact CG-CB 4.2Å; E75-S454 PolarHBondContact OE1-OG 2.83Å; E75-S454 WeakPolarHBondContact OE2-CB 3.35Å; E75-S454 PolarHBondContact OE2-N 2.95Å; E75-S454 PolarHBondContact OE2-OG 3.01Å; E75-C455 HydrophobicContact CG-CB 4.1Å; E75-C455 WeakPolarHBondContact OE1-CB 3.35Å; E75-C455 PolarHBondContact OE1-N 2.95Å
76	N	92.8	Very high	92.5	Very high	28 Å²	28	68.5 Å²	68.5	15%	0.15	36%	0.361	C	S	.	.			trans	-146.3	71.8	178.6	-171.2	5	0	0	0	109.9	A42 I74 K78 R114	A42-N76 HydrophobicContact CB-CB 3.85Å; I74-N76 HydrophobicContact CG2-CB 4.26Å; N76-K78 WeakPolarHBondContact ND2-CE 3.39Å; N76-K78 PolarHBondContact ND2-NZ 3.5Å; N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 WeakPolarHBondContact OD1-CE 3.32Å; N76-K78 PolarHBondContact OD1-NZ 3.38Å; N76-R114 PolarHBondContact OD1-NH1 3.39Å
77	P	91.5	Very high	92.6	Very high	25 Å²	25	65.5 Å²	65.5	16%	0.162	34%	0.342	C	S	.	.			trans	-52.4	137.5	174	-20.9	31.7	0	0	0	109.5	V35 R114 L450	V35-P77 HydrophobicContact CG1-CG 4.48Å; P77-R114 WeakPolarHBondContact O-CD 3.47Å; P77-R114 PolarHBondContact O-NH1 3.29Å; P77-L450 HydrophobicContact CB-CB 4.18Å; P77-L450 HydrophobicContact CB-CD1 3.87Å; P77-L450 HydrophobicContact CB-CG 4.47Å
78	K	91.1	Very high	92.7	Very high	122 Å²	122	67.4 Å²	67.4	53%	0.53	36%	0.357	S	S	.	.			trans	-113	137.6	-178.1	-68.7	-54.5	-169.4	-172.6	0	110.6	N76 A80 L450	N76-K78 WeakPolarHBondContact ND2-CE 3.39Å; N76-K78 PolarHBondContact ND2-NZ 3.5Å; N76-K78 PolarHBondContact O-N 2.85Å; N76-K78 WeakPolarHBondContact OD1-CE 3.32Å; N76-K78 PolarHBondContact OD1-NZ 3.38Å; K78-A80 PolarHBondContact O-N 3.06Å; K78-L450 WeakPolarHBondContact O-CD1 3.32Å
79	T	94	Very high	92.7	Very high	32 Å²	32	66.5 Å²	66.5	20%	0.196	34%	0.342	C	S	.	.			trans	-64.7	128.7	168	-61.8	0	0	0	0	109	T112 M113 R114 D117 L119	T79-T112 CarbonylContact C-O 3.6Å; T79-T112 VanDerWaalsContact CA-O 3.22Å; T79-T112 WeakPolarHBondContact CA-O 3.31Å; T79-M113 HydrophobicContact CG2-CB 3.9Å; T79-M113 HydrophobicContact CG2-CG 3.5Å; T79-M113 HydrophobicContact CG2-SD 4.04Å; T79-R114 PolarHBondContact OG1-N 3.04Å; T79-D117 WeakPolarHBondContact CB-OD2 3.32Å; T79-D117 PolarHBondContact OG1-OD2 3.02Å; T79-L119 HydrophobicContact CG2-CB 4.2Å; T79-L119 HydrophobicContact CG2-CD1 4.39Å
80	A	94.3	Very high	92.5	Very high	49 Å²	49	67.9 Å²	67.9	41%	0.405	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.5	179.1	0	0	0	0	0	109.1	K78 T112	K78-A80 PolarHBondContact O-N 3.06Å; A80-T112 PolarHBondContact N-O 3.17Å; A80-T112 PolarHBondContact O-N 3.08Å; A80-T112 VanDerWaalsContact O-O 3.05Å; A80-T112 PolarHBondContact O-OG1 2.89Å
81	Y	95.2	Very high	92	Very high	103 Å²	103	63.7 Å²	63.7	40%	0.404	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.2	166.9	75.3	-74	0	0	0	110.8	I83 M110 L119 F121	Y81-I83 HydrophobicContact CE2-CG1 4.43Å; Y81-M110 CarbonylContact C-O 3.53Å; Y81-M110 WeakPolarHBondContact CA-O 3.31Å; Y81-M110 WeakPolarHBondContact CB-O 3.31Å; Y81-L119 HydrophobicContact CD1-CD1 3.6Å; Y81-L119 HydrophobicContact CD1-CD2 3.67Å; Y81-L119 HydrophobicContact CD1-CG 4.09Å; Y81-L119 HydrophobicContact CE1-CD1 3.91Å; Y81-L119 HydrophobicContact CG-CD2 3.89Å; Y81-F121 HydrophobicContact CE2-CB 4.02Å
82	S	96.4	Very high	90.9	Very high	49 Å²	49	60.2 Å²	60.2	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.1	171.3	58.3	0	0	0	0	109.5	I109 M110	S82-I109 WeakPolarHBondContact O-CA 3.42Å; S82-M110 PolarHBondContact N-O 3.43Å; S82-M110 PolarHBondContact O-N 3.38Å
83	I	96.6	Very high	89.6	Confident	79 Å²	79	57.2 Å²	57.2	41%	0.405	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.2	172.6	-54.5	170.8	0	0	0	107.3	Y81 D86 P106 I109	Y81-I83 HydrophobicContact CE2-CG1 4.43Å; I83-D86 HydrophobicContact CG2-CB 3.64Å; I83-P106 HydrophobicContact CG2-CB 3.49Å; I83-P106 VanDerWaalsContact CG2-CB 3.49Å; I83-P106 HydrophobicContact CG2-CG 4.21Å; I83-I109 HydrophobicContact CB-CG2 4.45Å; I83-I109 HydrophobicContact CG1-CG2 4.12Å; I83-I109 HydrophobicContact CG2-CG2 4.31Å
84	I	96.8	Very high	87.9	Confident	90 Å²	90	60.8 Å²	60.8	46%	0.462	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-39.5	-179.5	-58	-59.1	0	0	0	110.2	E108 M110	I84-E108 HydrophobicContact CB-CB 4.13Å; I84-E108 HydrophobicContact CB-CG 3.97Å; I84-E108 HydrophobicContact CG1-CG 4.47Å; I84-E108 HydrophobicContact CG2-CG 4.28Å; I84-E108 PolarHBondContact N-O 2.9Å; I84-M110 HydrophobicContact CD1-CB 3.93Å; I84-M110 HydrophobicContact CD1-CE 4.34Å; I84-M110 HydrophobicContact CG1-CB 3.85Å
85	R	96.4	Very high	85.9	Confident	108 Å²	108	63.6 Å²	63.6	41%	0.408	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118.4	179.3	-167	179.3	173.2	-171.7	-5.3	110.2	E87 P106 Q107 E108	R85-E87 HydrophobicContact CG-CG 4.4Å; R85-E87 IonicContact CZ-OE1 2.85Å; R85-E87 IonicContact CZ-OE2 3.5Å; R85-E87 VanDerWaalsContact NE-CD 3.26Å; R85-E87 IonicContact NE-OE1 3.63Å; R85-E87 PolarHBondContact NE-OE1 3.22Å; R85-E87 IonicContact NE-OE2 3.43Å; R85-E87 PolarHBondContact NE-OE2 3.08Å; R85-E87 IonicContact NH2-OE1 3.12Å; R85-E87 PolarHBondContact NH2-OE1 2.76Å; R85-E87 IonicContact NH2-OE2 3.87Å; R85-E87 PolarHBondContact NH2-OE2 3.48Å; R85-P106 WeakPolarHBondContact O-CB 3.42Å; R85-Q107 HydrophobicContact CB-CB 4.39Å; R85-Q107 HydrophobicContact CG-CB 4.26Å; R85-Q107 PolarHBondContact O-N 3.28Å; R85-Q107 PolarHBondContact O-OE1 3.38Å; R85-E108 HydrophobicContact CB-CB 3.75Å; R85-E108 PolarHBondContact N-O 3.33Å; R85-E108 VanDerWaalsContact N-O 3.09Å; R85-E108 PolarHBondContact O-N 2.79Å
86	D	95.2	Very high	83.8	Confident	80 Å²	80	72.7 Å²	72.7	43%	0.428	40%	0.396	S	S	.	.			trans	-134.8	56.5	-174.5	-162.6	26	0	0	0	111.8	I83 Q105	I83-D86 HydrophobicContact CG2-CB 3.64Å; D86-Q105 WeakPolarHBondContact OD1-CG 3.5Å; D86-Q105 PolarHBondContact OD1-NE2 2.93Å
87	E	92.5	Very high	81.5	Confident	72 Å²	72	78.2 Å²	78.2	34%	0.336	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-68.3	138.2	175.7	-70.3	167.3	-167.3	0	0	110.1	R85 V102 Q107	R85-E87 HydrophobicContact CG-CG 4.4Å; R85-E87 IonicContact CZ-OE1 2.85Å; R85-E87 IonicContact CZ-OE2 3.5Å; R85-E87 VanDerWaalsContact NE-CD 3.26Å; R85-E87 IonicContact NE-OE1 3.63Å; R85-E87 PolarHBondContact NE-OE1 3.22Å; R85-E87 IonicContact NE-OE2 3.43Å; R85-E87 PolarHBondContact NE-OE2 3.08Å; R85-E87 IonicContact NH2-OE1 3.12Å; R85-E87 PolarHBondContact NH2-OE1 2.76Å; R85-E87 IonicContact NH2-OE2 3.87Å; R85-E87 PolarHBondContact NH2-OE2 3.48Å; E87-V102 HydrophobicContact CB-CG1 4.33Å; E87-V102 HydrophobicContact CB-CG2 4.33Å; E87-Q107 PolarHBondContact O-NE2 3.04Å
88	P	91.7	Very high	79.5	Confident	88 Å²	88	84.3 Å²	84.3	57%	0.571	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.7	177	28.8	-34.8	0	0	0	110.2	T90	P88-T90 PolarHBondContact O-N 3.37Å
89	L	89.7	Confident	77.5	Confident	23 Å²	23	81 Å²	81	12%	0.12	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-60.6	133	174.4	-57.2	171.2	0	0	0	110.2	V102 Q103 Q105 T124 R126 T412	L89-V102 CarbonylContact C-O 3.49Å; L89-V102 VanDerWaalsContact CA-O 3.23Å; L89-V102 WeakPolarHBondContact CA-O 3.37Å; L89-V102 HydrophobicContact CD2-CG1 4.49Å; L89-V102 WeakPolarHBondContact CD2-O 3.25Å; L89-Q103 WeakPolarHBondContact CD2-O 3.36Å; L89-Q105 HydrophobicContact CD2-CB 3.85Å; L89-Q105 HydrophobicContact CG-CB 4.15Å; L89-T124 HydrophobicContact CD1-CG2 3.85Å; L89-R126 HydrophobicContact CD1-CB 3.78Å; L89-R126 PolarHBondContact O-NH2 3.16Å; L89-T412 HydrophobicContact CD1-CG2 4.4Å
90	T	85.3	Confident	76.3	Confident	35 Å²	35	82.5 Å²	82.5	22%	0.215	45%	0.446	C	S	.	.			trans	-128.8	161.8	-179.1	58.8	0	0	0	0	111.8	P88 D100 V102	P88-T90 PolarHBondContact O-N 3.37Å; T90-D100 PolarHBondContact OG1-O 3.05Å; T90-V102 PolarHBondContact N-O 2.92Å; T90-V102 PolarHBondContact OG1-N 3.04Å
91	N	79.4	Confident	75.5	Confident	34 Å²	34	80.6 Å²	80.6	18%	0.182	43%	0.43	C	S	.	.			trans	-95.4	159.5	170.8	-63.9	-59.5	0	0	0	111.6	G93 E94 V129	N91-G93 PolarHBondContact O-N 3.3Å; N91-E94 HydrophobicContact CB-CG 4.2Å; N91-E94 PolarHBondContact N-OE2 3.48Å; N91-E94 VanDerWaalsContact N-OE2 3.07Å; N91-E94 PolarHBondContact ND2-OE1 3.42Å; N91-V129 HydrophobicContact CB-CB 4.24Å; N91-V129 PolarHBondContact OD1-N 3.5Å; N91-V129 VanDerWaalsContact OD1-N 3.11Å
92	A	67.1	Low	75.2	Confident	27 Å²	27	76.5 Å²	76.5	22%	0.223	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	129.7	173	0	0	0	0	0	109.6	A101 V129	A92-A101 HydrophobicContact CB-CB 4.09Å; A92-V129 WeakPolarHBondContact CB-O 3.43Å; A92-V129 PolarHBondContact N-O 3.26Å
93	G	61.1	Low	74.9	Confident	71 Å²	71	74.2 Å²	74.2	73%	0.732	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	6.1	177.2	0	0	0	0	0	116.3	N91	N91-G93 PolarHBondContact O-N 3.3Å
94	E	54.7	Low	74.7	Confident	124 Å²	124	70.6 Å²	70.6	58%	0.579	38%	0.381	S	S	*	.	S	Bend	trans	-74.1	-14.9	167.3	-74.7	172.3	176.1	0	0	112.3	N91	N91-E94 HydrophobicContact CB-CG 4.2Å; N91-E94 PolarHBondContact N-OE2 3.48Å; N91-E94 VanDerWaalsContact N-OE2 3.07Å; N91-E94 PolarHBondContact ND2-OE1 3.42Å
95	T	50.5	Low	74.6	Confident	79 Å²	79	68.8 Å²	68.8	49%	0.485	37%	0.371	S	S	.	.	S	Bend	trans	-117.9	149.1	177.2	50.3	0	0	0	0	111.4	E97	T95-E97 PolarHBondContact O-N 2.9Å
96	E	47.2	Very low	74.7	Confident	209 Å²	209	64 Å²	64	98%	0.977	35%	0.354	S	S	*	.	S	Bend	trans	-67.2	-16.4	-179.7	-69.8	-171	158.5	0	0	113.6
97	E	45.6	Very low	74.7	Confident	143 Å²	143	61.2 Å²	61.2	67%	0.668	34%	0.338	S	S	*	.	S	Bend	trans	-87	133.6	174.6	-63.2	-176.6	168.1	0	0	110.2	T95 S99	T95-E97 PolarHBondContact O-N 2.9Å; E97-S99 CarbonylContact O-C 3.53Å; E97-S99 PolarHBondContact O-N 2.85Å; E97-S99 VanDerWaalsContact O-O 3.1Å
98	E	48.1	Very low	74.9	Confident	154 Å²	154	59.4 Å²	59.4	72%	0.72	33%	0.33	S	S	*	.	S	Bend	trans	-58.8	-4.6	172.9	-80.2	-168.7	143.1	0	0	113	K214	E98-K214 IonicContact OE1-NZ 3.03Å; E98-K214 PolarHBondContact OE1-NZ 2.89Å
99	S	50.8	Low	75.2	Confident	51 Å²	51	55.2 Å²	55.2	36%	0.357	30%	0.303	S	S	.	.			trans	-107.7	129.8	168.9	49.8	0	0	0	0	110	E97	E97-S99 CarbonylContact O-C 3.53Å; E97-S99 PolarHBondContact O-N 2.85Å; E97-S99 VanDerWaalsContact O-O 3.1Å
100	D	66.8	Low	75.6	Confident	65 Å²	65	57.6 Å²	57.6	35%	0.348	31%	0.314	S	S	.	.			cis	-161.7	134.7	10	-77.5	-40.9	0	0	0	107.5	T90 V102 K257	T90-D100 PolarHBondContact OG1-O 3.05Å; D100-V102 PolarHBondContact O-N 3.48Å; D100-K257 HydrophobicContact CB-CD 4.25Å; D100-K257 VanDerWaalsContact CG-CD 3.5Å; D100-K257 WeakPolarHBondContact OD1-CD 3.3Å; D100-K257 IonicContact OD1-NZ 3.36Å; D100-K257 IonicContact OD2-NZ 2.79Å; D100-K257 PolarHBondContact OD2-NZ 3.25Å
101	A	79.3	Confident	76.2	Confident	9 Å²	9	55.9 Å²	55.9	7%	0.074	30%	0.304	C	S	.	.			trans	-76	122.7	167.5	0	0	0	0	0	109.4	A92 Q103 A128 Y131	A92-A101 HydrophobicContact CB-CB 4.09Å; A101-Q103 PolarHBondContact O-N 3.29Å; A101-A128 HydrophobicContact CB-CB 3.43Å; A101-A128 VanDerWaalsContact CB-CB 3.43Å; A101-Y131 HydrophobicContact CB-CD2 4.27Å
102	V	87.7	Confident	76.9	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.103	31%	0.307	C	S	.	.			trans	-84.9	107.7	176	-179.9	0	0	0	0	108.3	E87 L89 T90 D100 L104 Q107	E87-V102 HydrophobicContact CB-CG1 4.33Å; E87-V102 HydrophobicContact CB-CG2 4.33Å; L89-V102 CarbonylContact C-O 3.49Å; L89-V102 VanDerWaalsContact CA-O 3.23Å; L89-V102 WeakPolarHBondContact CA-O 3.37Å; L89-V102 HydrophobicContact CD2-CG1 4.49Å; L89-V102 WeakPolarHBondContact CD2-O 3.25Å; T90-V102 PolarHBondContact N-O 2.92Å; T90-V102 PolarHBondContact OG1-N 3.04Å; D100-V102 PolarHBondContact O-N 3.48Å; V102-L104 WeakPolarHBondContact CG1-O 3.3Å; V102-Q107 HydrophobicContact CG1-CG 4.39Å
103	Q	90.3	Very high	78.2	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.			trans	-101.1	-16.7	-177.4	-63.8	-172.3	101.4	0	0	114.5	L89 A101 F125 R126 A128 Y131 D441	L89-Q103 WeakPolarHBondContact CD2-O 3.36Å; A101-Q103 PolarHBondContact O-N 3.29Å; Q103-F125 HydrophobicContact CB-CD2 4.19Å; Q103-F125 HydrophobicContact CB-CE2 3.76Å; Q103-F125 CarbonylContact O-C 3.57Å; Q103-F125 VanDerWaalsContact O-CA 3.23Å; Q103-F125 WeakPolarHBondContact O-CA 3.48Å; Q103-F125 WeakPolarHBondContact O-CD2 3.41Å; Q103-R126 WeakPolarHBondContact CA-O 3.5Å; Q103-R126 WeakPolarHBondContact CB-O 3.18Å; Q103-R126 WeakPolarHBondContact CG-O 3.28Å; Q103-R126 PolarHBondContact O-N 3.45Å; Q103-A128 HydrophobicContact CG-CB 3.82Å; Q103-Y131 HydrophobicContact CG-CD2 4.48Å; Q103-Y131 HydrophobicContact CG-CE2 4.48Å; Q103-Y131 VanDerWaalsContact NE2-CZ 3.33Å; Q103-D441 HydrophobicContact CB-CB 4.49Å; Q103-D441 PolarHBondContact NE2-OD2 2.87Å
104	L	93.1	Very high	79.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.9	177.7	-77.5	173	0	0	0	110.6	V102 Q107 V123 T124 F125 M375 D441	V102-L104 WeakPolarHBondContact CG1-O 3.3Å; L104-Q107 PolarHBondContact O-NE2 3.46Å; L104-V123 HydrophobicContact CD2-CG1 3.89Å; L104-T124 CarbonylContact C-O 3.58Å; L104-T124 WeakPolarHBondContact CA-O 3.26Å; L104-F125 HydrophobicContact CD2-CB 3.85Å; L104-F125 HydrophobicContact CD2-CD2 3.66Å; L104-F125 HydrophobicContact CD2-CG 4.21Å; L104-F125 HydrophobicContact CG-CD2 3.99Å; L104-M375 HydrophobicContact CD2-CE 4.26Å; L104-D441 VanDerWaalsContact CD1-C 3.49Å; L104-D441 HydrophobicContact CD1-CB 3.96Å; L104-D441 VanDerWaalsContact CD1-O 3.3Å; L104-D441 WeakPolarHBondContact CD1-O 3.37Å; L104-D441 HydrophobicContact CG-CB 4.24Å
105	Q	94.6	Very high	81.5	Confident	52 Å²	52	45.9 Å²	45.9	24%	0.243	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.5	174.9	-174	-178.2	9.5	0	0	110.2	D86 L89 V123 T124	D86-Q105 WeakPolarHBondContact OD1-CG 3.5Å; D86-Q105 PolarHBondContact OD1-NE2 2.93Å; L89-Q105 HydrophobicContact CD2-CB 3.85Å; L89-Q105 HydrophobicContact CG-CB 4.15Å; Q105-V123 CarbonylContact O-C 3.45Å; Q105-V123 WeakPolarHBondContact O-CA 3.34Å; Q105-T124 PolarHBondContact N-O 2.65Å; Q105-T124 PolarHBondContact O-N 3.36Å
106	P	97.3	Very high	83.5	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.058	23%	0.232	C	C	.	.			cis	-70.8	172	-8.3	30.3	-34.8	0	0	0	112.2	I83 R85 I109 L443	I83-P106 HydrophobicContact CG2-CB 3.49Å; I83-P106 VanDerWaalsContact CG2-CB 3.49Å; I83-P106 HydrophobicContact CG2-CG 4.21Å; R85-P106 WeakPolarHBondContact O-CB 3.42Å; P106-I109 HydrophobicContact CB-CG2 4.22Å; P106-I109 HydrophobicContact CG-CG2 3.59Å; P106-L443 HydrophobicContact CG-CD1 4.17Å; P106-L443 WeakPolarHBondContact O-CD1 3.22Å
107	Q	95.2	Very high	85.6	Confident	21 Å²	21	39 Å²	39	10%	0.098	20%	0.197	C	C	.	.	S	Bend	trans	-98.8	-26.5	176.2	-56.1	77.9	33.4	0	0	112.3	R85 E87 V102 L104 I444	R85-Q107 HydrophobicContact CB-CB 4.39Å; R85-Q107 HydrophobicContact CG-CB 4.26Å; R85-Q107 PolarHBondContact O-N 3.28Å; R85-Q107 PolarHBondContact O-OE1 3.38Å; E87-Q107 PolarHBondContact O-NE2 3.04Å; V102-Q107 HydrophobicContact CG1-CG 4.39Å; L104-Q107 PolarHBondContact O-NE2 3.46Å; Q107-I444 PolarHBondContact O-N 2.82Å
108	E	97.9	Very high	87.9	Confident	33 Å²	33	36.9 Å²	36.9	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.7	178.2	-168	169.9	-172.9	0	0	112.2	I84 R85 I444 R446	I84-E108 HydrophobicContact CB-CB 4.13Å; I84-E108 HydrophobicContact CB-CG 3.97Å; I84-E108 HydrophobicContact CG1-CG 4.47Å; I84-E108 HydrophobicContact CG2-CG 4.28Å; I84-E108 PolarHBondContact N-O 2.9Å; R85-E108 HydrophobicContact CB-CB 3.75Å; R85-E108 PolarHBondContact N-O 3.33Å; R85-E108 VanDerWaalsContact N-O 3.09Å; R85-E108 PolarHBondContact O-N 2.79Å; E108-I444 CarbonylContact C-O 3.55Å; E108-I444 VanDerWaalsContact CA-O 3.26Å; E108-I444 WeakPolarHBondContact CA-O 3.38Å; E108-I444 HydrophobicContact CG-CB 4.16Å; E108-I444 HydrophobicContact CG-CG2 4.27Å; E108-R446 IonicContact OE1-CZ 3.87Å; E108-R446 VanDerWaalsContact OE1-CZ 3.23Å; E108-R446 IonicContact OE1-NE 2.61Å; E108-R446 PolarHBondContact OE1-NE 3.48Å; E108-R446 IonicContact OE1-NH2 2.91Å; E108-R446 PolarHBondContact OE1-NH2 2.99Å
109	I	97.7	Very high	90.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.6	175	65.7	-179.3	0	0	0	110.5	S82 I83 P106 I111 F121 L443 I444 I445 R446	S82-I109 WeakPolarHBondContact O-CA 3.42Å; I83-I109 HydrophobicContact CB-CG2 4.45Å; I83-I109 HydrophobicContact CG1-CG2 4.12Å; I83-I109 HydrophobicContact CG2-CG2 4.31Å; P106-I109 HydrophobicContact CB-CG2 4.22Å; P106-I109 HydrophobicContact CG-CG2 3.59Å; I109-I111 HydrophobicContact CD1-CD1 3.8Å; I109-I111 HydrophobicContact CD1-CG1 4.18Å; I109-I111 HydrophobicContact CG1-CD1 4.35Å; I109-I111 HydrophobicContact CG1-CG1 4.3Å; I109-F121 HydrophobicContact CD1-CD1 4.14Å; I109-F121 HydrophobicContact CD1-CD2 3.82Å; I109-F121 HydrophobicContact CD1-CE1 3.91Å; I109-F121 HydrophobicContact CD1-CE2 3.55Å; I109-F121 HydrophobicContact CD1-CG 4.12Å; I109-F121 HydrophobicContact CD1-CZ 3.62Å; I109-L443 HydrophobicContact CD1-CD1 4.47Å; I109-L443 HydrophobicContact CD1-CD2 4.27Å; I109-L443 HydrophobicContact CG1-CD1 4.19Å; I109-L443 HydrophobicContact CG2-CD1 4.12Å; I109-I444 PolarHBondContact N-O 3.34Å; I109-I445 HydrophobicContact CD1-CB 4.31Å; I109-I445 HydrophobicContact CD1-CD1 3.84Å; I109-I445 HydrophobicContact CD1-CG1 3.68Å; I109-I445 HydrophobicContact CD1-CG2 4.09Å; I109-I445 HydrophobicContact CG1-CB 3.95Å; I109-I445 HydrophobicContact CG1-CD1 4.38Å; I109-I445 HydrophobicContact CG1-CG1 3.66Å; I109-I445 HydrophobicContact CG1-CG2 3.9Å; I109-I445 WeakPolarHBondContact O-CA 3.44Å; I109-R446 PolarHBondContact O-N 3.1Å
110	M	97.9	Very high	92.3	Very high	72 Å²	72	30.6 Å²	30.6	36%	0.355	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.1	171.7	-176.8	174.8	65.5	0	0	108.4	Y81 S82 I84 R446	Y81-M110 CarbonylContact C-O 3.53Å; Y81-M110 WeakPolarHBondContact CA-O 3.31Å; Y81-M110 WeakPolarHBondContact CB-O 3.31Å; S82-M110 PolarHBondContact N-O 3.43Å; S82-M110 PolarHBondContact O-N 3.38Å; I84-M110 HydrophobicContact CD1-CB 3.93Å; I84-M110 HydrophobicContact CD1-CE 4.34Å; I84-M110 HydrophobicContact CG1-CB 3.85Å; M110-R446 WeakPolarHBondContact CA-O 3.41Å; M110-R446 HydrophobicContact CG-CB 4.47Å
111	I	97.3	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.1	-177.9	-59	179.2	0	0	0	108	I109 M113 L119 F121 L419 I445 R446 L447 N448	I109-I111 HydrophobicContact CD1-CD1 3.8Å; I109-I111 HydrophobicContact CD1-CG1 4.18Å; I109-I111 HydrophobicContact CG1-CD1 4.35Å; I109-I111 HydrophobicContact CG1-CG1 4.3Å; I111-M113 HydrophobicContact CG2-CB 3.89Å; I111-L119 HydrophobicContact CB-CD2 4.43Å; I111-L119 HydrophobicContact CD1-CD2 3.99Å; I111-L119 HydrophobicContact CG1-CD2 4.08Å; I111-L119 HydrophobicContact CG2-CD2 3.59Å; I111-F121 HydrophobicContact CD1-CD1 4.36Å; I111-F121 HydrophobicContact CD1-CE1 3.89Å; I111-L419 HydrophobicContact CD1-CD1 3.5Å; I111-I445 HydrophobicContact CD1-CG2 3.45Å; I111-I445 VanDerWaalsContact CD1-CG2 3.45Å; I111-I445 HydrophobicContact CG1-CG2 3.98Å; I111-R446 PolarHBondContact N-O 3.22Å; I111-L447 HydrophobicContact CB-CD1 4Å; I111-L447 HydrophobicContact CG2-CD1 3.65Å; I111-L447 CarbonylContact O-C 3.6Å; I111-L447 WeakPolarHBondContact O-CA 3.26Å; I111-N448 PolarHBondContact O-N 3.45Å
112	T	95.5	Very high	94.5	Very high	41 Å²	41	31.7 Å²	31.7	25%	0.252	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.8	165.4	55.7	0	0	0	0	107.4	T79 A80 N448	T79-T112 CarbonylContact C-O 3.6Å; T79-T112 VanDerWaalsContact CA-O 3.22Å; T79-T112 WeakPolarHBondContact CA-O 3.31Å; A80-T112 PolarHBondContact N-O 3.17Å; A80-T112 PolarHBondContact O-N 3.08Å; A80-T112 VanDerWaalsContact O-O 3.05Å; A80-T112 PolarHBondContact O-OG1 2.89Å; T112-N448 CarbonylContact C-O 3.54Å; T112-N448 VanDerWaalsContact CA-O 3.27Å; T112-N448 WeakPolarHBondContact CA-O 3.32Å; T112-N448 HydrophobicContact CG2-CB 4.19Å
113	M	94.2	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.5	-169.3	-171.9	162.8	78.4	0	0	113.4	T79 I111 D117 L119 L419 V421 L447 N448 V449 L450	T79-M113 HydrophobicContact CG2-CB 3.9Å; T79-M113 HydrophobicContact CG2-CG 3.5Å; T79-M113 HydrophobicContact CG2-SD 4.04Å; I111-M113 HydrophobicContact CG2-CB 3.89Å; M113-D117 HydrophobicContact CG-CB 4.14Å; M113-L119 HydrophobicContact SD-CB 3.56Å; M113-L119 VanDerWaalsContact SD-CB 3.56Å; M113-L419 HydrophobicContact CE-CB 4.21Å; M113-V421 HydrophobicContact CE-CB 4Å; M113-V421 HydrophobicContact CE-CG2 3.44Å; M113-V421 VanDerWaalsContact CE-CG2 3.44Å; M113-V421 VanDerWaalsContact CE-N 3.32Å; M113-L447 HydrophobicContact CB-CD1 4.03Å; M113-N448 PolarHBondContact N-O 3.04Å; M113-V449 WeakPolarHBondContact O-CA 3.49Å; M113-L450 PolarHBondContact O-N 3.01Å
114	R	93.6	Very high	95.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	17%	0.168	C	C	.	.			trans	-84	152.4	174.7	-77.4	-175.4	60.1	178	0.2	112.5	V35 H38 P39 C41 N76 P77 T79 D117 L450	V35-R114 VanDerWaalsContact C-NH2 3.32Å; V35-R114 VanDerWaalsContact O-CZ 3.28Å; V35-R114 PolarHBondContact O-NE 3.27Å; V35-R114 VanDerWaalsContact O-NE 3.1Å; V35-R114 PolarHBondContact O-NH2 3.11Å; H38-R114 PolarHBondContact O-NH2 3.07Å; P39-R114 PolarHBondContact O-NH1 3.44Å; P39-R114 VanDerWaalsContact O-NH1 3.1Å; C41-R114 VanDerWaalsContact O-CZ 3.27Å; C41-R114 PolarHBondContact O-NH1 3.18Å; C41-R114 PolarHBondContact O-NH2 3.27Å; N76-R114 PolarHBondContact OD1-NH1 3.39Å; P77-R114 WeakPolarHBondContact O-CD 3.47Å; P77-R114 PolarHBondContact O-NH1 3.29Å; T79-R114 PolarHBondContact OG1-N 3.04Å; R114-D117 HydrophobicContact CB-CB 4.38Å; R114-D117 WeakPolarHBondContact O-CB 3.44Å; R114-D117 PolarHBondContact O-N 3.03Å; R114-L450 HydrophobicContact CG-CB 3.95Å; R114-L450 HydrophobicContact CG-CD1 4.32Å
115	P	92	Very high	95.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	143.5	168.9	-22	32.6	0	0	0	112.3	Q36 D117 V421 C424 V449 L450	Q36-P115 HydrophobicContact CG-CG 4.35Å; P115-D117 PolarHBondContact O-N 3.08Å; P115-V421 CarbonylContact C-O 3.51Å; P115-V421 WeakPolarHBondContact CA-O 3.42Å; P115-V421 HydrophobicContact CB-CG1 4.34Å; P115-V421 HydrophobicContact CG-CG1 4.42Å; P115-C424 WeakPolarHBondContact CG-SG 3.42Å; P115-V449 HydrophobicContact CG-CG1 4.48Å; P115-L450 WeakPolarHBondContact CD-O 3.28Å
116	K	90.9	Very high	95	Very high	98 Å²	98	32.6 Å²	32.6	43%	0.426	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	8.6	-176.5	-50.5	177.5	-170.6	170.5	0	114.7	Q37 V421	Q37-K116 WeakPolarHBondContact O-CD 3.17Å; Q37-K116 WeakPolarHBondContact O-CE 3.21Å; Q37-K116 PolarHBondContact O-NZ 2.96Å; K116-V421 PolarHBondContact N-O 3.5Å
117	D	91.9	Very high	94.4	Very high	46 Å²	46	32.6 Å²	32.6	25%	0.246	17%	0.166	C	C	.	.			trans	-86.5	149.4	168.9	-148.4	-8.3	0	0	0	110.1	P39 T79 M113 R114 P115	P39-D117 HydrophobicContact CB-CB 4.16Å; P39-D117 HydrophobicContact CG-CB 3.58Å; T79-D117 WeakPolarHBondContact CB-OD2 3.32Å; T79-D117 PolarHBondContact OG1-OD2 3.02Å; M113-D117 HydrophobicContact CG-CB 4.14Å; R114-D117 HydrophobicContact CB-CB 4.38Å; R114-D117 WeakPolarHBondContact O-CB 3.44Å; R114-D117 PolarHBondContact O-N 3.03Å; P115-D117 PolarHBondContact O-N 3.08Å
118	I	94.1	Very high	93.7	Very high	99 Å²	99	31.7 Å²	31.7	51%	0.508	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.9	179.7	-56.8	175.8	0	0	0	108	L419 E420	I118-L419 WeakPolarHBondContact CA-O 3.44Å; I118-E420 HydrophobicContact CG1-CB 4.19Å; I118-E420 HydrophobicContact CG1-CG 4.05Å
119	L	95.5	Very high	92.8	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	175.4	-179.2	69.1	0	0	0	110.1	T79 Y81 I111 M113 S418 L419	T79-L119 HydrophobicContact CG2-CB 4.2Å; T79-L119 HydrophobicContact CG2-CD1 4.39Å; Y81-L119 HydrophobicContact CD1-CD1 3.6Å; Y81-L119 HydrophobicContact CD1-CD2 3.67Å; Y81-L119 HydrophobicContact CD1-CG 4.09Å; Y81-L119 HydrophobicContact CE1-CD1 3.91Å; Y81-L119 HydrophobicContact CG-CD2 3.89Å; I111-L119 HydrophobicContact CB-CD2 4.43Å; I111-L119 HydrophobicContact CD1-CD2 3.99Å; I111-L119 HydrophobicContact CG1-CD2 4.08Å; I111-L119 HydrophobicContact CG2-CD2 3.59Å; M113-L119 HydrophobicContact SD-CB 3.56Å; M113-L119 VanDerWaalsContact SD-CB 3.56Å; L119-S418 CarbonylContact O-C 3.55Å; L119-S418 WeakPolarHBondContact O-CA 3.45Å; L119-L419 PolarHBondContact N-O 3.3Å; L119-L419 PolarHBondContact O-N 2.66Å
120	S	95.5	Very high	91.9	Very high	50 Å²	50	35.1 Å²	35.1	35%	0.35	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.7	175.2	-54.6	0	0	0	0	112	I417 S418	S120-I417 CarbonylContact C-O 3.57Å; S120-I417 WeakPolarHBondContact CA-O 3.43Å; S120-S418 WeakPolarHBondContact OG-CB 2.99Å; S120-S418 PolarHBondContact OG-OG 3.43Å
121	F	96.2	Very high	91.2	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157	176.5	55.3	-87.5	0	0	0	110.1	Y81 I109 I111 V123 I417 L419 L443 I445	Y81-F121 HydrophobicContact CE2-CB 4.02Å; I109-F121 HydrophobicContact CD1-CD1 4.14Å; I109-F121 HydrophobicContact CD1-CD2 3.82Å; I109-F121 HydrophobicContact CD1-CE1 3.91Å; I109-F121 HydrophobicContact CD1-CE2 3.55Å; I109-F121 HydrophobicContact CD1-CG 4.12Å; I109-F121 HydrophobicContact CD1-CZ 3.62Å; I111-F121 HydrophobicContact CD1-CD1 4.36Å; I111-F121 HydrophobicContact CD1-CE1 3.89Å; F121-V123 HydrophobicContact CD2-CG2 3.91Å; F121-V123 HydrophobicContact CE2-CG2 3.77Å; F121-I417 HydrophobicContact CD2-CB 4.4Å; F121-I417 HydrophobicContact CE1-CB 4.45Å; F121-I417 HydrophobicContact CE1-CG2 4.32Å; F121-I417 HydrophobicContact CE2-CB 3.84Å; F121-I417 HydrophobicContact CE2-CD1 4.15Å; F121-I417 HydrophobicContact CE2-CG1 4.4Å; F121-I417 HydrophobicContact CE2-CG2 4.16Å; F121-I417 HydrophobicContact CZ-CB 3.85Å; F121-I417 HydrophobicContact CZ-CG2 3.7Å; F121-I417 PolarHBondContact N-O 2.99Å; F121-I417 PolarHBondContact O-N 3.03Å; F121-L419 HydrophobicContact CE1-CD1 3.75Å; F121-L419 HydrophobicContact CE1-CG 4.09Å; F121-L419 HydrophobicContact CZ-CD1 4.08Å; F121-L419 HydrophobicContact CZ-CG 4.45Å; F121-L443 HydrophobicContact CE2-CD2 3.72Å; F121-I445 HydrophobicContact CE1-CD1 4.39Å; F121-I445 HydrophobicContact CE2-CD1 4.1Å; F121-I445 HydrophobicContact CZ-CD1 3.49Å; F121-I445 VanDerWaalsContact CZ-CD1 3.49Å
122	D	96.3	Very high	90.8	Very high	90 Å²	90	33 Å²	33	48%	0.481	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	-177.6	-70.9	-23.1	0	0	0	111.1	T414 F415 N416	D122-T414 HydrophobicContact CB-CG2 3.76Å; D122-F415 CarbonylContact C-O 3.52Å; D122-F415 WeakPolarHBondContact CA-O 3.44Å; D122-N416 WeakPolarHBondContact OD1-CA 3.36Å; D122-N416 WeakPolarHBondContact OD1-CB 3.37Å; D122-N416 PolarHBondContact OD1-ND2 2.86Å
123	V	96.6	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120	173.2	-176.9	0	0	0	0	108.2	L104 Q105 F121 M375 T414 F415 I417 L443	L104-V123 HydrophobicContact CD2-CG1 3.89Å; Q105-V123 CarbonylContact O-C 3.45Å; Q105-V123 WeakPolarHBondContact O-CA 3.34Å; F121-V123 HydrophobicContact CD2-CG2 3.91Å; F121-V123 HydrophobicContact CE2-CG2 3.77Å; V123-M375 HydrophobicContact CG1-CE 4.46Å; V123-T414 CarbonylContact O-C 3.57Å; V123-T414 WeakPolarHBondContact O-CA 3.3Å; V123-F415 PolarHBondContact N-O 3.4Å; V123-F415 PolarHBondContact O-N 3.16Å; V123-I417 HydrophobicContact CB-CD1 4.07Å; V123-I417 HydrophobicContact CG2-CD1 3.45Å; V123-I417 VanDerWaalsContact CG2-CD1 3.45Å; V123-I417 HydrophobicContact CG2-CG1 4.05Å; V123-L443 HydrophobicContact CG2-CD2 3.48Å; V123-L443 VanDerWaalsContact CG2-CD2 3.48Å
124	T	95.3	Very high	90.5	Very high	29 Å²	29	31 Å²	31	18%	0.178	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.7	-179.3	-58.4	0	0	0	0	109.7	L89 L104 Q105 T412 I413 T414	L89-T124 HydrophobicContact CD1-CG2 3.85Å; L104-T124 CarbonylContact C-O 3.58Å; L104-T124 WeakPolarHBondContact CA-O 3.26Å; Q105-T124 PolarHBondContact N-O 2.65Å; Q105-T124 PolarHBondContact O-N 3.36Å; T124-T412 HydrophobicContact CG2-CG2 3.19Å; T124-I413 WeakPolarHBondContact CA-O 3.23Å; T124-T414 PolarHBondContact OG1-OG1 3.38Å
125	F	93.9	Very high	90.6	Very high	3 Å²	3	31 Å²	31	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	175.4	177.6	-98.4	0	0	0	110.5	Q103 L104 Q127 I373 T412 I413 P436 L439	Q103-F125 HydrophobicContact CB-CD2 4.19Å; Q103-F125 HydrophobicContact CB-CE2 3.76Å; Q103-F125 CarbonylContact O-C 3.57Å; Q103-F125 VanDerWaalsContact O-CA 3.23Å; Q103-F125 WeakPolarHBondContact O-CA 3.48Å; Q103-F125 WeakPolarHBondContact O-CD2 3.41Å; L104-F125 HydrophobicContact CD2-CB 3.85Å; L104-F125 HydrophobicContact CD2-CD2 3.66Å; L104-F125 HydrophobicContact CD2-CG 4.21Å; L104-F125 HydrophobicContact CG-CD2 3.99Å; F125-Q127 HydrophobicContact CE1-CB 4.26Å; F125-Q127 HydrophobicContact CZ-CB 4.41Å; F125-I373 HydrophobicContact CD1-CD1 3.35Å; F125-I373 HydrophobicContact CD1-CG1 4.12Å; F125-I373 HydrophobicContact CE1-CD1 3.51Å; F125-I373 HydrophobicContact CE1-CG1 3.87Å; F125-T412 WeakPolarHBondContact O-CA 3.3Å; F125-I413 PolarHBondContact N-O 3.45Å; F125-I413 PolarHBondContact O-N 3.11Å; F125-P436 HydrophobicContact CD2-CG 3.98Å; F125-P436 HydrophobicContact CE2-CB 4.39Å; F125-P436 HydrophobicContact CE2-CG 3.61Å; F125-P436 HydrophobicContact CZ-CG 4.2Å; F125-L439 HydrophobicContact CE2-CD1 3.96Å; F125-L439 HydrophobicContact CZ-CD1 3.74Å
126	R	90.9	Very high	90.8	Very high	60 Å²	60	30.9 Å²	30.9	23%	0.226	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.4	168.2	-176.9	177.8	67.3	-166.5	1.4	109.2	L89 Q103 A128 T412	L89-R126 HydrophobicContact CD1-CB 3.78Å; L89-R126 PolarHBondContact O-NH2 3.16Å; Q103-R126 WeakPolarHBondContact CA-O 3.5Å; Q103-R126 WeakPolarHBondContact CB-O 3.18Å; Q103-R126 WeakPolarHBondContact CG-O 3.28Å; Q103-R126 PolarHBondContact O-N 3.45Å; R126-A128 PolarHBondContact O-N 2.98Å; R126-T412 WeakPolarHBondContact CD-OG1 3.16Å
127	Q	83.7	Confident	90.9	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.037	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-69.5	120.5	174.2	-173.3	175.4	12.7	0	0	109.9	F125 S370 G410	F125-Q127 HydrophobicContact CE1-CB 4.26Å; F125-Q127 HydrophobicContact CZ-CB 4.41Å; Q127-S370 PolarHBondContact OE1-O 3.04Å; Q127-G410 PolarHBondContact O-N 2.98Å
128	A	81.2	Confident	91.1	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.017	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-69.4	143.4	179.8	0	0	0	0	0	112	A101 Q103 R126 Y131	A101-A128 HydrophobicContact CB-CB 3.43Å; A101-A128 VanDerWaalsContact CB-CB 3.43Å; Q103-A128 HydrophobicContact CG-CB 3.82Å; R126-A128 PolarHBondContact O-N 2.98Å; A128-Y131 HydrophobicContact CB-CD2 4.34Å
129	V	79.2	Confident	91.1	Very high	67 Å²	67	19.5 Å²	19.5	41%	0.406	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	142.6	169.1	-178.6	0	0	0	0	109.5	N91 A92 Y131 V409	N91-V129 HydrophobicContact CB-CB 4.24Å; N91-V129 PolarHBondContact OD1-N 3.5Å; N91-V129 VanDerWaalsContact OD1-N 3.11Å; A92-V129 WeakPolarHBondContact CB-O 3.43Å; A92-V129 PolarHBondContact N-O 3.26Å; V129-Y131 PolarHBondContact O-N 3.42Å; V129-Y131 VanDerWaalsContact O-N 3.13Å; V129-V409 HydrophobicContact CB-CG1 4.5Å; V129-V409 HydrophobicContact CG2-CG1 3.95Å
130	D	78.1	Confident	91.1	Very high	40 Å²	40	18.4 Å²	18.4	21%	0.214	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	26.7	178.8	-82.7	-39.3	0	0	0	114.5	T167 R168	D130-T167 PolarHBondContact O-OG1 2.86Å; D130-T167 WeakPolarHBondContact OD1-CA 3.3Å; D130-R168 PolarHBondContact OD1-N 2.86Å; D130-R168 IonicContact OD2-CZ 2.66Å; D130-R168 IonicContact OD2-NE 3.05Å; D130-R168 PolarHBondContact OD2-NE 2.69Å
131	Y	84.1	Confident	91	Very high	14 Å²	14	16 Å²	16	6%	0.055	8%	0.084	C	C	.	.			trans	-54.5	138.5	177	-169	-101.7	0	0	0	111.1	A101 Q103 A128 V129 V133 T167 R259 L439 S440 D441	A101-Y131 HydrophobicContact CB-CD2 4.27Å; Q103-Y131 HydrophobicContact CG-CD2 4.48Å; Q103-Y131 HydrophobicContact CG-CE2 4.48Å; Q103-Y131 VanDerWaalsContact NE2-CZ 3.33Å; A128-Y131 HydrophobicContact CB-CD2 4.34Å; V129-Y131 PolarHBondContact O-N 3.42Å; V129-Y131 VanDerWaalsContact O-N 3.13Å; Y131-V133 PolarHBondContact O-N 3.5Å; Y131-T167 PolarHBondContact O-OG1 2.93Å; Y131-R259 HydrophobicContact CD1-CB 4.23Å; Y131-R259 HydrophobicContact CE1-CB 4.22Å; Y131-L439 HydrophobicContact CD1-CD2 4.21Å; Y131-L439 HydrophobicContact CE1-CD2 3.6Å; Y131-S440 PolarHBondContact OH-OG 3.37Å; Y131-D441 PolarHBondContact OH-OD2 2.86Å
132	P	88.2	Confident	90.8	Very high	13 Å²	13	15.8 Å²	15.8	8%	0.084	8%	0.083	C	C	.	.			trans	-62.5	134	-176.2	-19.8	30.7	0	0	0	113.1	N169 R255 S258 R259	P132-N169 HydrophobicContact CB-CB 4.39Å; P132-R255 VanDerWaalsContact CB-CZ 3.45Å; P132-S258 WeakPolarHBondContact O-CA 3.3Å; P132-R259 PolarHBondContact O-N 2.83Å
133	V	90.3	Very high	90.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	176.8	174.7	0	0	0	0	109.3	Y131 M163 T167 N169 F170 R171 R255 R259 M261 Y366	Y131-V133 PolarHBondContact O-N 3.5Å; V133-M163 HydrophobicContact CG1-CE 4.21Å; V133-T167 HydrophobicContact CB-CG2 3.8Å; V133-T167 HydrophobicContact CG2-CG2 3.59Å; V133-N169 PolarHBondContact N-O 3.47Å; V133-N169 VanDerWaalsContact N-O 3.14Å; V133-F170 HydrophobicContact CB-CD2 4.28Å; V133-F170 HydrophobicContact CG1-CD2 4.05Å; V133-F170 HydrophobicContact CG1-CE2 4.33Å; V133-F170 WeakPolarHBondContact O-CA 3.37Å; V133-R171 PolarHBondContact O-N 3.03Å; V133-R255 PolarHBondContact O-NH2 3.08Å; V133-R259 HydrophobicContact CG2-CB 4.24Å; V133-M261 HydrophobicContact CG1-CE 3.44Å; V133-M261 VanDerWaalsContact CG1-CE 3.44Å; V133-M261 HydrophobicContact CG1-SD 4.37Å; V133-Y366 HydrophobicContact CG2-CE2 3.94Å
134	D	93.4	Very high	90.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.2	171.9	-74.4	-12.8	0	0	0	107.8	R171 L212 W254 R255 S258 R259 M261	D134-R171 WeakPolarHBondContact OD1-CB 3.2Å; D134-L212 HydrophobicContact CB-CD1 3.97Å; D134-L212 HydrophobicContact CB-CD2 4.04Å; D134-W254 HydrophobicContact CB-CE3 3.63Å; D134-W254 HydrophobicContact CB-CZ3 3.52Å; D134-R255 IonicContact OD1-CZ 3.97Å; D134-R255 IonicContact OD1-NE 3.39Å; D134-R255 PolarHBondContact OD1-NE 3.2Å; D134-R255 IonicContact OD1-NH2 3Å; D134-R255 PolarHBondContact OD1-NH2 2.9Å; D134-R255 WeakPolarHBondContact OD2-CB 3.46Å; D134-R255 PolarHBondContact OD2-N 2.98Å; D134-R255 IonicContact OD2-NE 2.71Å; D134-R255 PolarHBondContact OD2-NE 3.29Å; D134-S258 PolarHBondContact OD2-OG 2.98Å; D134-S258 VanDerWaalsContact OD2-OG 3.08Å; D134-R259 PolarHBondContact N-O 3.31Å; D134-M261 PolarHBondContact O-N 3.46Å
135	L	94.4	Very high	89.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.9	176.9	-169.3	159.7	0	0	0	109.1	Y137 L159 F170 R171 L172 G173 L212 M261 V263 V362	L135-Y137 HydrophobicContact CD2-CD2 4.46Å; L135-L159 HydrophobicContact CD1-CD2 4.34Å; L135-L159 HydrophobicContact CD2-CD2 4.41Å; L135-F170 HydrophobicContact CB-CE2 3.62Å; L135-F170 HydrophobicContact CB-CZ 3.99Å; L135-F170 HydrophobicContact CD1-CE2 4.19Å; L135-F170 HydrophobicContact CD1-CZ 4.35Å; L135-R171 PolarHBondContact N-O 3.44Å; L135-L172 HydrophobicContact CB-CD1 4.4Å; L135-L172 HydrophobicContact CD2-CD1 3.57Å; L135-L172 CarbonylContact O-C 3.58Å; L135-L172 WeakPolarHBondContact O-CA 3.34Å; L135-G173 PolarHBondContact O-N 3.41Å; L135-L212 WeakPolarHBondContact O-CD2 3.45Å; L135-M261 CarbonylContact C-O 3.59Å; L135-M261 WeakPolarHBondContact CA-O 3.49Å; L135-M261 HydrophobicContact CB-CE 4.26Å; L135-M261 HydrophobicContact CD1-CE 3.87Å; L135-M261 HydrophobicContact CG-CE 4.26Å; L135-V263 HydrophobicContact CD1-CG2 4.07Å; L135-V263 HydrophobicContact CD2-CG2 3.86Å; L135-V263 HydrophobicContact CG-CG2 4.05Å; L135-V362 HydrophobicContact CD1-CG1 3.78Å
136	Y	96.4	Very high	89.4	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.6	173.5	-166.7	-105	0	0	0	109.4	L138 F174 G175 F206 N208 L212 A245 I252 W254 M261 I262 V263	Y136-L138 HydrophobicContact CD1-CD2 3.98Å; Y136-L138 HydrophobicContact CD1-CG 3.92Å; Y136-L138 HydrophobicContact CE1-CD2 3.45Å; Y136-L138 VanDerWaalsContact CE1-CD2 3.45Å; Y136-L138 HydrophobicContact CE1-CG 3.93Å; Y136-F174 PolarHBondContact OH-O 3.45Å; Y136-G175 VanDerWaalsContact OH-CA 3.25Å; Y136-G175 WeakPolarHBondContact OH-CA 3.49Å; Y136-G175 PolarHBondContact OH-N 2.75Å; Y136-F206 HydrophobicContact CE1-CE2 4.38Å; Y136-F206 HydrophobicContact CE1-CZ 4.26Å; Y136-F206 WeakPolarHBondContact OH-CZ 3.26Å; Y136-N208 PolarHBondContact OH-OD1 3Å; Y136-N208 VanDerWaalsContact OH-OD1 3.05Å; Y136-L212 HydrophobicContact CD2-CG 4.4Å; Y136-A245 HydrophobicContact CD1-CB 3.89Å; Y136-A245 HydrophobicContact CE1-CB 3.73Å; Y136-I252 HydrophobicContact CD2-CG2 3.59Å; Y136-I252 HydrophobicContact CE1-CD1 4.31Å; Y136-I252 HydrophobicContact CE2-CD1 3.99Å; Y136-I252 HydrophobicContact CE2-CG2 3.75Å; Y136-I252 HydrophobicContact CG-CG2 4.07Å; Y136-I252 WeakPolarHBondContact OH-CD1 3.34Å; Y136-W254 HydrophobicContact CG-CZ2 4.4Å; Y136-M261 PolarHBondContact N-O 3.03Å; Y136-I262 VanDerWaalsContact O-CA 3.3Å; Y136-I262 WeakPolarHBondContact O-CA 3.47Å; Y136-V263 PolarHBondContact O-N 3.37Å
137	Y	94.5	Very high	89	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.4	-179.4	-160.6	-79.4	0	0	0	109.2	L135 M139 L152 G173 F174 G175 F219 V263 S265 V358	L135-Y137 HydrophobicContact CD2-CD2 4.46Å; Y137-M139 HydrophobicContact CD1-CB 3.99Å; Y137-M139 HydrophobicContact CE1-CB 3.84Å; Y137-M139 HydrophobicContact CE1-CG 4.04Å; Y137-M139 HydrophobicContact CE1-SD 4.17Å; Y137-L152 HydrophobicContact CE1-CD1 4.23Å; Y137-L152 HydrophobicContact CE1-CD2 4.34Å; Y137-L152 HydrophobicContact CE2-CD2 4.33Å; Y137-L152 VanDerWaalsContact OH-CD2 3.24Å; Y137-L152 WeakPolarHBondContact OH-CD2 3.25Å; Y137-G173 PolarHBondContact N-O 3.3Å; Y137-F174 HydrophobicContact CD1-CD2 4.27Å; Y137-F174 HydrophobicContact CD1-CE2 4.32Å; Y137-F174 WeakPolarHBondContact O-CA 3.08Å; Y137-G175 PolarHBondContact O-N 3.43Å; Y137-G175 VanDerWaalsContact O-O 3.07Å; Y137-F219 HydrophobicContact CG-CE2 4.38Å; Y137-F219 HydrophobicContact CG-CZ 4.2Å; Y137-V263 HydrophobicContact CD2-CB 3.87Å; Y137-V263 HydrophobicContact CD2-CG1 3.92Å; Y137-V263 HydrophobicContact CE2-CB 4.12Å; Y137-V263 HydrophobicContact CE2-CG1 3.62Å; Y137-S265 WeakPolarHBondContact OH-CB 3.38Å; Y137-S265 PolarHBondContact OH-OG 2.95Å; Y137-V358 HydrophobicContact CE2-CG2 4.11Å
138	L	95.8	Very high	88.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113	173.7	-79.8	-176.6	0	0	0	109.4	Y136 G175 F177 F206 A241 I242 A245 I262 V263 F264 S265	Y136-L138 HydrophobicContact CD1-CD2 3.98Å; Y136-L138 HydrophobicContact CD1-CG 3.92Å; Y136-L138 HydrophobicContact CE1-CD2 3.45Å; Y136-L138 VanDerWaalsContact CE1-CD2 3.45Å; Y136-L138 HydrophobicContact CE1-CG 3.93Å; L138-G175 WeakPolarHBondContact CA-O 3.45Å; L138-F177 HydrophobicContact CB-CE1 4.3Å; L138-F206 HydrophobicContact CD2-CD2 4.16Å; L138-F206 HydrophobicContact CD2-CE2 3.48Å; L138-F206 VanDerWaalsContact CD2-CE2 3.48Å; L138-F206 HydrophobicContact CD2-CZ 4.38Å; L138-A241 HydrophobicContact CD1-CB 4.26Å; L138-A241 HydrophobicContact CD2-CB 4.17Å; L138-I242 HydrophobicContact CD1-CG1 3.97Å; L138-A245 HydrophobicContact CD1-CB 4.08Å; L138-A245 HydrophobicContact CD2-CB 4.33Å; L138-A245 HydrophobicContact CG-CB 4.49Å; L138-I262 HydrophobicContact CB-CG2 4.21Å; L138-I262 HydrophobicContact CD1-CG2 3.55Å; L138-I262 HydrophobicContact CG-CG2 3.86Å; L138-V263 PolarHBondContact N-O 3Å; L138-F264 HydrophobicContact CB-CD2 4.27Å; L138-F264 HydrophobicContact CD1-CD2 4.33Å; L138-F264 WeakPolarHBondContact O-CA 3.27Å; L138-S265 PolarHBondContact O-N 2.95Å
139	M	93.6	Very high	89	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.6	-175.7	-165.3	172	89.2	0	0	111.7	Y137 L141 K149 L152 F174 G175 S176 F177 V223	Y137-M139 HydrophobicContact CD1-CB 3.99Å; Y137-M139 HydrophobicContact CE1-CB 3.84Å; Y137-M139 HydrophobicContact CE1-CG 4.04Å; Y137-M139 HydrophobicContact CE1-SD 4.17Å; M139-L141 HydrophobicContact CE-CD1 4.3Å; M139-L141 HydrophobicContact CE-CD2 3.16Å; M139-L141 HydrophobicContact CE-CG 3.66Å; M139-L141 PolarHBondContact O-N 3.39Å; M139-K149 HydrophobicContact CE-CB 4.29Å; M139-K149 HydrophobicContact CE-CD 4.43Å; M139-K149 HydrophobicContact CE-CG 3.88Å; M139-L152 HydrophobicContact CG-CD1 4.16Å; M139-L152 HydrophobicContact SD-CB 4.49Å; M139-L152 HydrophobicContact SD-CD1 3.24Å; M139-L152 WeakPolarHBondContact SD-CD1 3.38Å; M139-L152 HydrophobicContact SD-CG 4.45Å; M139-F174 HydrophobicContact CB-CE2 3.75Å; M139-F174 HydrophobicContact CB-CZ 4.38Å; M139-F174 HydrophobicContact CE-CE2 4.21Å; M139-F174 HydrophobicContact CE-CZ 3.9Å; M139-F174 HydrophobicContact SD-CE2 4.07Å; M139-F174 HydrophobicContact SD-CZ 4.35Å; M139-G175 PolarHBondContact N-O 2.84Å; M139-S176 CarbonylContact O-C 3.58Å; M139-S176 WeakPolarHBondContact O-CA 3.47Å; M139-S176 VanDerWaalsContact O-CB 3.24Å; M139-S176 WeakPolarHBondContact O-CB 3.44Å; M139-F177 PolarHBondContact O-N 3.49Å; M139-F177 VanDerWaalsContact O-N 3.08Å; M139-V223 HydrophobicContact CE-CG1 4.44Å
140	D	94.5	Very high	88.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124	162.5	-174.5	-5.8	0	0	0	110.2	S142 M145 F177 S265 T266	D140-S142 WeakPolarHBondContact OD1-CB 3.23Å; D140-S142 PolarHBondContact OD1-N 3.17Å; D140-S142 PolarHBondContact OD1-OG 2.77Å; D140-M145 HydrophobicContact CB-CG 3.94Å; D140-M145 WeakPolarHBondContact O-CB 3.49Å; D140-F177 HydrophobicContact CB-CE1 4.45Å; D140-F177 HydrophobicContact CB-CE2 3.74Å; D140-F177 HydrophobicContact CB-CZ 3.69Å; D140-S265 VanDerWaalsContact CB-O 3.25Å; D140-S265 WeakPolarHBondContact CB-O 3.41Å; D140-S265 PolarHBondContact N-O 2.91Å; D140-T266 PolarHBondContact OD2-OG1 3.18Å
141	L	94.1	Very high	88.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.			trans	-113	23.9	176.8	-85.1	-177.5	0	0	0	112.4	M139 K149 S176 F177 V178 Y204 V228 S229	M139-L141 HydrophobicContact CE-CD1 4.3Å; M139-L141 HydrophobicContact CE-CD2 3.16Å; M139-L141 HydrophobicContact CE-CG 3.66Å; M139-L141 PolarHBondContact O-N 3.39Å; L141-K149 HydrophobicContact CD2-CD 3.74Å; L141-K149 HydrophobicContact CD2-CG 4.31Å; L141-S176 VanDerWaalsContact CD1-CB 3.41Å; L141-S176 WeakPolarHBondContact CD1-OG 3.36Å; L141-F177 PolarHBondContact N-O 2.8Å; L141-V178 HydrophobicContact CB-CG2 4.16Å; L141-Y204 WeakPolarHBondContact CD1-OH 3.23Å; L141-V228 HydrophobicContact CD2-CG1 4.05Å; L141-V228 CarbonylContact O-C 3.55Å; L141-V228 WeakPolarHBondContact O-CA 3.35Å; L141-S229 PolarHBondContact O-N 3.33Å
142	S	92.3	Very high	88.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.142	C	C	.	.	S	Bend	trans	-55.3	161.2	163	71.5	0	0	0	0	110.9	D140 S144 M145 S229	D140-S142 WeakPolarHBondContact OD1-CB 3.23Å; D140-S142 PolarHBondContact OD1-N 3.17Å; D140-S142 PolarHBondContact OD1-OG 2.77Å; S142-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact OG-OG 3.02Å; S142-S144 VanDerWaalsContact OG-OG 3.04Å; S142-M145 PolarHBondContact O-N 2.92Å; S142-S229 CarbonylContact C-O 3.6Å
143	F	90.3	Very high	87.5	Confident	112 Å²	112	28.4 Å²	28.4	49%	0.491	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-66.3	-25.6	-175.3	-176.6	-100	0	0	0	112.1	M145 A146 V228 S229	F143-M145 VanDerWaalsContact C-N 3.27Å; F143-M145 PolarHBondContact O-N 2.71Å; F143-A146 VanDerWaalsContact O-CB 3.28Å; F143-A146 WeakPolarHBondContact O-CB 3.39Å; F143-A146 PolarHBondContact O-N 2.92Å; F143-V228 HydrophobicContact CD2-CG2 4.25Å; F143-S229 WeakPolarHBondContact CA-O 3.35Å; F143-S229 WeakPolarHBondContact CB-O 3.23Å; F143-S229 PolarHBondContact N-O 3.27Å
144	S	88.5	Confident	86.5	Confident	61 Å²	61	35.7 Å²	35.7	43%	0.427	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-68.8	-25.1	177.6	56.9	0	0	0	0	112.8	S142 A146 D267	S142-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact OG-OG 3.02Å; S142-S144 VanDerWaalsContact OG-OG 3.04Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 3.33Å; S144-D267 WeakPolarHBondContact CB-OD2 3.19Å; S144-D267 PolarHBondContact OG-OD1 3.17Å; S144-D267 PolarHBondContact OG-OD2 2.93Å
145	M	88.7	Confident	85.4	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-88	11.6	177.7	-66.5	-70.1	-60.6	0	0	114	D140 S142 F143 D147 D148 K149 D267	D140-M145 HydrophobicContact CB-CG 3.94Å; D140-M145 WeakPolarHBondContact O-CB 3.49Å; S142-M145 PolarHBondContact O-N 2.92Å; F143-M145 VanDerWaalsContact C-N 3.27Å; F143-M145 PolarHBondContact O-N 2.71Å; M145-D147 PolarHBondContact O-N 3.44Å; M145-D148 HydrophobicContact CE-CB 3.88Å; M145-D148 PolarHBondContact O-N 3.31Å; M145-K149 PolarHBondContact O-N 3.44Å; M145-K149 VanDerWaalsContact O-N 3.15Å; M145-D267 HydrophobicContact SD-CB 3.68Å; M145-D267 VanDerWaalsContact SD-CG 3.55Å; M145-D267 PolarHBondContact SD-N 2.95Å
146	A	85.4	Confident	84.4	Confident	32 Å²	32	36.5 Å²	36.5	26%	0.264	19%	0.186	S	C	.	.	H	α-helix	trans	-67.4	-34.8	-172.7	0	0	0	0	0	114.1	F143 S144 V228	F143-A146 VanDerWaalsContact O-CB 3.28Å; F143-A146 WeakPolarHBondContact O-CB 3.39Å; F143-A146 PolarHBondContact O-N 2.92Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 3.33Å; A146-V228 HydrophobicContact CB-CG1 3.95Å; A146-V228 HydrophobicContact CB-CG2 4.48Å
147	D	81.9	Confident	83.5	Confident	96 Å²	96	40.3 Å²	40.3	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-76.1	-37.3	176.1	58.6	-28	0	0	0	112.1	M145 K149 Q150	M145-D147 PolarHBondContact O-N 3.44Å; D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 2.89Å; D147-Q150 PolarHBondContact O-N 3.35Å
148	D	81.8	Confident	82.9	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-39.5	172	-68.9	-78.8	0	0	0	112.9	M145 Q150 K151 L152 D354 S355	M145-D148 HydrophobicContact CE-CB 3.88Å; M145-D148 PolarHBondContact O-N 3.31Å; D148-Q150 VanDerWaalsContact C-N 3.28Å; D148-Q150 PolarHBondContact O-N 3.1Å; D148-K151 PolarHBondContact O-N 3.25Å; D148-L152 WeakPolarHBondContact O-CG 3.42Å; D148-L152 PolarHBondContact O-N 3.42Å; D148-D354 WeakPolarHBondContact OD1-CA 3.4Å; D148-S355 WeakPolarHBondContact CB-OG 3.46Å; D148-S355 WeakPolarHBondContact OD1-CB 3.46Å; D148-S355 PolarHBondContact OD1-N 2.9Å; D148-S355 PolarHBondContact OD1-OG 2.92Å
149	K	82.6	Confident	82.3	Confident	27 Å²	27	43.5 Å²	43.5	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-40.2	179.4	-171.1	-177.7	92.9	90.3	0	112.9	M139 L141 M145 D147 L152 T153 V223 N224 S226 V228	M139-K149 HydrophobicContact CE-CB 4.29Å; M139-K149 HydrophobicContact CE-CD 4.43Å; M139-K149 HydrophobicContact CE-CG 3.88Å; L141-K149 HydrophobicContact CD2-CD 3.74Å; L141-K149 HydrophobicContact CD2-CG 4.31Å; M145-K149 PolarHBondContact O-N 3.44Å; M145-K149 VanDerWaalsContact O-N 3.15Å; D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 2.89Å; K149-L152 PolarHBondContact O-N 2.96Å; K149-T153 PolarHBondContact O-N 3.48Å; K149-V223 HydrophobicContact CG-CG1 4.14Å; K149-V223 PolarHBondContact NZ-O 3.47Å; K149-V223 VanDerWaalsContact NZ-O 3.08Å; K149-N224 PolarHBondContact NZ-O 3.08Å; K149-S226 WeakPolarHBondContact CD-O 3.43Å; K149-S226 VanDerWaalsContact CE-O 3.32Å; K149-S226 WeakPolarHBondContact CE-O 3.4Å; K149-S226 PolarHBondContact NZ-O 3.18Å; K149-V228 HydrophobicContact CD-CG1 4.17Å
150	Q	75.6	Confident	81.7	Confident	146 Å²	146	43.4 Å²	43.4	68%	0.682	22%	0.222	S	C	*	.	H	α-helix	trans	-63.8	-45.7	-178.6	-74.9	-171.8	-8.1	0	0	111.1	D147 D148 L152 T153	D147-Q150 PolarHBondContact O-N 3.35Å; D148-Q150 VanDerWaalsContact C-N 3.28Å; D148-Q150 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.29Å; Q150-T153 PolarHBondContact O-N 3.37Å; Q150-T153 PolarHBondContact O-OG1 3.42Å
151	K	75.8	Confident	81.2	Confident	80 Å²	80	48.3 Å²	48.3	35%	0.348	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-34.2	178.5	-78.6	174.8	171.6	169.1	0	112.1	D148 T153 E154 L155 D354	D148-K151 PolarHBondContact O-N 3.25Å; K151-T153 PolarHBondContact O-N 2.87Å; K151-E154 WeakPolarHBondContact O-CB 3.29Å; K151-E154 PolarHBondContact O-N 3.48Å; K151-L155 HydrophobicContact CB-CD1 4.2Å; K151-L155 WeakPolarHBondContact O-CD1 3.26Å; K151-L155 VanDerWaalsContact O-CG 3.24Å; K151-L155 WeakPolarHBondContact O-CG 3.46Å; K151-L155 PolarHBondContact O-N 2.72Å; K151-D354 HydrophobicContact CD-CB 3.85Å; K151-D354 WeakPolarHBondContact CD-O 3.44Å; K151-D354 VanDerWaalsContact NZ-CB 3.28Å; K151-D354 VanDerWaalsContact NZ-CG 3.27Å; K151-D354 IonicContact NZ-OD2 2.77Å; K151-D354 PolarHBondContact NZ-OD2 2.93Å
152	L	74.3	Confident	80.8	Confident	2 Å²	2	53 Å²	53	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-26.8	178.9	-75.9	167.2	0	0	0	114	Y137 M139 D148 K149 Q150 L155 G156 V223 V358	Y137-L152 HydrophobicContact CE1-CD1 4.23Å; Y137-L152 HydrophobicContact CE1-CD2 4.34Å; Y137-L152 HydrophobicContact CE2-CD2 4.33Å; Y137-L152 VanDerWaalsContact OH-CD2 3.24Å; Y137-L152 WeakPolarHBondContact OH-CD2 3.25Å; M139-L152 HydrophobicContact CG-CD1 4.16Å; M139-L152 HydrophobicContact SD-CB 4.49Å; M139-L152 HydrophobicContact SD-CD1 3.24Å; M139-L152 WeakPolarHBondContact SD-CD1 3.38Å; M139-L152 HydrophobicContact SD-CG 4.45Å; D148-L152 WeakPolarHBondContact O-CG 3.42Å; D148-L152 PolarHBondContact O-N 3.42Å; K149-L152 PolarHBondContact O-N 2.96Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.29Å; L152-L155 HydrophobicContact CD2-CB 4.43Å; L152-L155 HydrophobicContact CD2-CD1 3.82Å; L152-L155 HydrophobicContact CG-CD1 4.24Å; L152-L155 PolarHBondContact O-N 3.12Å; L152-G156 PolarHBondContact O-N 3.44Å; L152-G156 VanDerWaalsContact O-N 3.11Å; L152-V223 HydrophobicContact CB-CG1 4.23Å; L152-V358 HydrophobicContact CD2-CG1 3.93Å
153	T	72.9	Confident	80.3	Confident	31 Å²	31	53 Å²	53	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-40	172.7	65.7	0	0	0	0	112.5	K149 Q150 K151 L155 A220 V223 N224	K149-T153 PolarHBondContact O-N 3.48Å; Q150-T153 PolarHBondContact O-N 3.37Å; Q150-T153 PolarHBondContact O-OG1 3.42Å; K151-T153 PolarHBondContact O-N 2.87Å; T153-L155 VanDerWaalsContact C-N 3.35Å; T153-A220 WeakPolarHBondContact O-CB 3.37Å; T153-V223 HydrophobicContact CG2-CB 4.08Å; T153-V223 HydrophobicContact CG2-CG1 3.73Å; T153-N224 HydrophobicContact CG2-CB 3.84Å
154	E	70.1	Confident	80	Confident	152 Å²	152	53.1 Å²	53.1	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-71.3	-33.7	175.2	-59	-178.3	172.2	0	0	111.2	K151 G156	K151-E154 WeakPolarHBondContact O-CB 3.29Å; K151-E154 PolarHBondContact O-N 3.48Å; E154-G156 VanDerWaalsContact C-N 3.34Å; E154-G156 PolarHBondContact O-N 3.27Å
155	L	69.4	Low	79.8	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-72.2	-26.1	-177.8	-65	158.1	0	0	0	112.6	K151 L152 T153 D157 L158 L159 S355 V358 V359	K151-L155 HydrophobicContact CB-CD1 4.2Å; K151-L155 WeakPolarHBondContact O-CD1 3.26Å; K151-L155 VanDerWaalsContact O-CG 3.24Å; K151-L155 WeakPolarHBondContact O-CG 3.46Å; K151-L155 PolarHBondContact O-N 2.72Å; L152-L155 HydrophobicContact CD2-CB 4.43Å; L152-L155 HydrophobicContact CD2-CD1 3.82Å; L152-L155 HydrophobicContact CG-CD1 4.24Å; L152-L155 PolarHBondContact O-N 3.12Å; T153-L155 VanDerWaalsContact C-N 3.35Å; L155-D157 PolarHBondContact O-N 3.36Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 PolarHBondContact O-N 3.17Å; L155-S355 VanDerWaalsContact CD1-O 3.23Å; L155-S355 WeakPolarHBondContact CD1-O 3.41Å; L155-V358 HydrophobicContact CB-CG1 4.05Å; L155-V358 HydrophobicContact CD1-CG1 3.56Å; L155-V358 HydrophobicContact CD2-CG1 4.04Å; L155-V358 HydrophobicContact CG-CG1 4.06Å; L155-V359 HydrophobicContact CB-CG2 4.12Å; L155-V359 HydrophobicContact CD2-CG2 3.68Å
156	G	73.4	Confident	79.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-45.5	179.9	0	0	0	0	0	114.3	L152 E154 S160	L152-G156 PolarHBondContact O-N 3.44Å; L152-G156 VanDerWaalsContact O-N 3.11Å; E154-G156 VanDerWaalsContact C-N 3.34Å; E154-G156 PolarHBondContact O-N 3.27Å; G156-S160 VanDerWaalsContact O-CB 3.26Å; G156-S160 WeakPolarHBondContact O-CB 3.28Å; G156-S160 PolarHBondContact O-N 3.44Å; G156-S160 VanDerWaalsContact O-N 3.1Å; G156-S160 PolarHBondContact O-OG 3.02Å
157	D	77.9	Confident	79.1	Confident	80 Å²	80	57.9 Å²	57.9	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-69.4	-42.6	177.6	-81.4	-23.8	0	0	0	111.2	L155 S160 E161	L155-D157 PolarHBondContact O-N 3.36Å; D157-S160 WeakPolarHBondContact O-CB 3.44Å; D157-S160 PolarHBondContact O-N 2.88Å; D157-E161 PolarHBondContact O-N 2.81Å
158	L	82.4	Confident	79.1	Confident	62 Å²	62	63.2 Å²	63.2	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-44.9	178.9	-176.4	63.6	0	0	0	112.1	L155 S160 E161 R162 V359	L155-L158 PolarHBondContact O-N 3.43Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 2.92Å; L158-E161 PolarHBondContact O-N 3.48Å; L158-R162 HydrophobicContact CD1-CG 4.39Å; L158-R162 WeakPolarHBondContact O-CB 3.24Å; L158-R162 VanDerWaalsContact O-CG 3.23Å; L158-R162 WeakPolarHBondContact O-CG 3.33Å; L158-R162 PolarHBondContact O-N 3.46Å; L158-V359 HydrophobicContact CB-CG2 4.4Å; L158-V359 HydrophobicContact CD2-CB 4.39Å; L158-V359 HydrophobicContact CD2-CG1 4.45Å; L158-V359 HydrophobicContact CD2-CG2 4.2Å; L158-V359 HydrophobicContact CG-CG1 4.21Å; L158-V359 HydrophobicContact CG-CG2 4.29Å
159	L	83	Confident	79.2	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-47.3	175	-178.1	60.9	0	0	0	110	L135 L155 R162 M163 L172 V359 V362	L135-L159 HydrophobicContact CD1-CD2 4.34Å; L135-L159 HydrophobicContact CD2-CD2 4.41Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 PolarHBondContact O-N 3.17Å; L159-R162 PolarHBondContact O-N 2.66Å; L159-M163 HydrophobicContact CD1-CG 4.02Å; L159-M163 HydrophobicContact CG-CG 4.37Å; L159-M163 WeakPolarHBondContact O-CB 3.41Å; L159-M163 VanDerWaalsContact O-CG 3.25Å; L159-M163 WeakPolarHBondContact O-CG 3.15Å; L159-M163 PolarHBondContact O-N 3.01Å; L159-L172 HydrophobicContact CD2-CD1 4.41Å; L159-V359 HydrophobicContact CB-CG2 3.97Å; L159-V359 HydrophobicContact CD1-CG1 4.3Å; L159-V359 HydrophobicContact CD1-CG2 4.43Å; L159-V362 HydrophobicContact CD1-CB 4.08Å; L159-V362 HydrophobicContact CD1-CG1 3.86Å
160	S	80.8	Confident	79.5	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-43.1	179.5	-64.8	0	0	0	0	112.6	G156 D157 L158 R164 T216	G156-S160 VanDerWaalsContact O-CB 3.26Å; G156-S160 WeakPolarHBondContact O-CB 3.28Å; G156-S160 PolarHBondContact O-N 3.44Å; G156-S160 VanDerWaalsContact O-N 3.1Å; G156-S160 PolarHBondContact O-OG 3.02Å; D157-S160 WeakPolarHBondContact O-CB 3.44Å; D157-S160 PolarHBondContact O-N 2.88Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 2.92Å; S160-R164 VanDerWaalsContact O-CB 3.28Å; S160-R164 WeakPolarHBondContact O-CB 3.38Å; S160-R164 WeakPolarHBondContact O-CG 3.44Å; S160-R164 PolarHBondContact O-N 2.85Å; S160-T216 VanDerWaalsContact OG-CB 3.26Å; S160-T216 WeakPolarHBondContact OG-CB 3.32Å; S160-T216 WeakPolarHBondContact OG-CG2 3.3Å
161	E	84.6	Confident	80.2	Confident	102 Å²	102	59.2 Å²	59.2	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.7	-166.7	-159.5	138.8	0	0	111.5	D157 L158 R164 K165	D157-E161 PolarHBondContact O-N 2.81Å; L158-E161 PolarHBondContact O-N 3.48Å; E161-R164 PolarHBondContact O-N 2.94Å; E161-K165 PolarHBondContact O-N 2.79Å; E161-K165 WeakPolarHBondContact OE1-CE 3.46Å; E161-K165 IonicContact OE1-NZ 3.9Å; E161-K165 PolarHBondContact OE1-NZ 3.35Å
162	R	84.4	Confident	81	Confident	99 Å²	99	55.4 Å²	55.4	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-46.8	179.9	-72.7	-75.9	-178.8	156.1	2.6	111.8	L158 L159 R164 K165 V359	L158-R162 HydrophobicContact CD1-CG 4.39Å; L158-R162 WeakPolarHBondContact O-CB 3.24Å; L158-R162 VanDerWaalsContact O-CG 3.23Å; L158-R162 WeakPolarHBondContact O-CG 3.33Å; L158-R162 PolarHBondContact O-N 3.46Å; L159-R162 PolarHBondContact O-N 2.66Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-R164 PolarHBondContact O-N 3.36Å; R162-K165 WeakPolarHBondContact O-CB 3.5Å; R162-K165 PolarHBondContact O-N 3.43Å; R162-V359 HydrophobicContact CB-CG1 4.16Å; R162-V359 HydrophobicContact CG-CG1 3.83Å
163	M	82.9	Confident	82	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-34.3	178.9	-67.5	-55.9	-61.5	0	0	112.2	V133 L159 K165 I166 T167 F170 M261 Y366	V133-M163 HydrophobicContact CG1-CE 4.21Å; L159-M163 HydrophobicContact CD1-CG 4.02Å; L159-M163 HydrophobicContact CG-CG 4.37Å; L159-M163 WeakPolarHBondContact O-CB 3.41Å; L159-M163 VanDerWaalsContact O-CG 3.25Å; L159-M163 WeakPolarHBondContact O-CG 3.15Å; L159-M163 PolarHBondContact O-N 3.01Å; M163-K165 PolarHBondContact O-N 3.1Å; M163-I166 HydrophobicContact CE-CD1 4.43Å; M163-I166 WeakPolarHBondContact O-CA 3.4Å; M163-I166 WeakPolarHBondContact O-CB 3.47Å; M163-I166 PolarHBondContact O-N 2.74Å; M163-I166 HydrophobicContact SD-CD1 4.07Å; M163-T167 PolarHBondContact O-N 3.16Å; M163-F170 HydrophobicContact CB-CD1 4.1Å; M163-F170 HydrophobicContact CB-CD2 3.69Å; M163-F170 HydrophobicContact CB-CE1 4.08Å; M163-F170 HydrophobicContact CB-CE2 3.66Å; M163-F170 HydrophobicContact CB-CG 3.91Å; M163-F170 HydrophobicContact CB-CZ 3.86Å; M163-F170 HydrophobicContact CE-CD2 4.47Å; M163-F170 HydrophobicContact CE-CE2 4.31Å; M163-F170 HydrophobicContact CG-CD2 4.3Å; M163-F170 HydrophobicContact CG-CE2 3.78Å; M163-F170 HydrophobicContact CG-CZ 3.93Å; M163-M261 HydrophobicContact CE-CE 4.07Å; M163-Y366 HydrophobicContact CE-CD2 3.79Å; M163-Y366 HydrophobicContact CE-CE2 4.04Å; M163-Y366 HydrophobicContact CE-CG 4.18Å
164	R	83.3	Confident	83.1	Confident	114 Å²	114	53.9 Å²	53.9	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-23.2	173.9	-79	177	179.9	-175.3	2.9	114.1	S160 E161 R162 I166 T167 F170 K214	S160-R164 VanDerWaalsContact O-CB 3.28Å; S160-R164 WeakPolarHBondContact O-CB 3.38Å; S160-R164 WeakPolarHBondContact O-CG 3.44Å; S160-R164 PolarHBondContact O-N 2.85Å; E161-R164 PolarHBondContact O-N 2.94Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-R164 PolarHBondContact O-N 3.36Å; R164-I166 VanDerWaalsContact C-N 3.27Å; R164-T167 WeakPolarHBondContact CA-O 3.37Å; R164-F170 HydrophobicContact CG-CB 4.41Å; R164-K214 PolarHBondContact NH2-O 2.79Å
165	K	83.6	Confident	84.3	Confident	139 Å²	139	46.6 Å²	46.6	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-72.6	-22	171.1	-68.5	171.1	-174.7	166.5	0	112.4	E161 R162 M163	E161-K165 PolarHBondContact O-N 2.79Å; E161-K165 WeakPolarHBondContact OE1-CE 3.46Å; E161-K165 IonicContact OE1-NZ 3.9Å; E161-K165 PolarHBondContact OE1-NZ 3.35Å; R162-K165 WeakPolarHBondContact O-CB 3.5Å; R162-K165 PolarHBondContact O-N 3.43Å; M163-K165 PolarHBondContact O-N 3.1Å
166	I	79.7	Confident	85.6	Confident	55 Å²	55	45.8 Å²	45.8	28%	0.282	20%	0.198	S	C	.	.	H	α-helix	trans	-90.8	-47	179.1	-60.1	175.4	0	0	0	110.8	M163 R164 Q363 Y366	M163-I166 HydrophobicContact CE-CD1 4.43Å; M163-I166 WeakPolarHBondContact O-CA 3.4Å; M163-I166 WeakPolarHBondContact O-CB 3.47Å; M163-I166 PolarHBondContact O-N 2.74Å; M163-I166 HydrophobicContact SD-CD1 4.07Å; R164-I166 VanDerWaalsContact C-N 3.27Å; I166-Q363 HydrophobicContact CD1-CG 4.27Å; I166-Y366 HydrophobicContact CD1-CD1 3.98Å; I166-Y366 HydrophobicContact CD1-CE1 4.19Å; I166-Y366 HydrophobicContact CG2-CD1 4.27Å; I166-Y366 HydrophobicContact CG2-CE1 3.43Å; I166-Y366 VanDerWaalsContact CG2-CE1 3.43Å
167	T	81.6	Confident	86.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	20%	0.198	C	C	.	.			trans	-140.2	133.1	175.5	176.5	0	0	0	0	110.9	D130 Y131 V133 M163 R164 N169 F170	D130-T167 PolarHBondContact O-OG1 2.86Å; D130-T167 WeakPolarHBondContact OD1-CA 3.3Å; Y131-T167 PolarHBondContact O-OG1 2.93Å; V133-T167 HydrophobicContact CB-CG2 3.8Å; V133-T167 HydrophobicContact CG2-CG2 3.59Å; M163-T167 PolarHBondContact O-N 3.16Å; R164-T167 WeakPolarHBondContact CA-O 3.37Å; T167-N169 PolarHBondContact O-N 3.15Å; T167-N169 PolarHBondContact OG1-N 3.38Å; T167-F170 HydrophobicContact CG2-CB 4.33Å
168	R	80.6	Confident	87.6	Confident	207 Å²	207	42 Å²	42	78%	0.781	18%	0.177	S	C	*	.	S	Bend	trans	-67.3	-20.4	174.4	-61.8	175.2	-167.5	-179.4	4.4	112.5	D130 F170	D130-R168 PolarHBondContact OD1-N 2.86Å; D130-R168 IonicContact OD2-CZ 2.66Å; D130-R168 IonicContact OD2-NE 3.05Å; D130-R168 PolarHBondContact OD2-NE 2.69Å; R168-F170 PolarHBondContact O-N 3.08Å
169	N	83.9	Confident	88.2	Confident	30 Å²	30	39 Å²	39	16%	0.16	16%	0.162	C	C	.	.	S	Bend	trans	-103.9	51.9	-172.6	-158.6	-3.5	0	0	0	112.9	P132 V133 T167 R255	P132-N169 HydrophobicContact CB-CB 4.39Å; V133-N169 PolarHBondContact N-O 3.47Å; V133-N169 VanDerWaalsContact N-O 3.14Å; T167-N169 PolarHBondContact O-N 3.15Å; T167-N169 PolarHBondContact OG1-N 3.38Å; N169-R255 PolarHBondContact ND2-NH1 3.32Å; N169-R255 PolarHBondContact O-NH2 3.32Å; N169-R255 PolarHBondContact OD1-NH1 3.47Å
170	F	88.3	Confident	88.7	Confident	3 Å²	3	38.7 Å²	38.7	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.7	179.9	179.6	-111.2	0	0	0	112.3	V133 L135 M163 R164 T167 R168 L172	V133-F170 HydrophobicContact CB-CD2 4.28Å; V133-F170 HydrophobicContact CG1-CD2 4.05Å; V133-F170 HydrophobicContact CG1-CE2 4.33Å; V133-F170 WeakPolarHBondContact O-CA 3.37Å; L135-F170 HydrophobicContact CB-CE2 3.62Å; L135-F170 HydrophobicContact CB-CZ 3.99Å; L135-F170 HydrophobicContact CD1-CE2 4.19Å; L135-F170 HydrophobicContact CD1-CZ 4.35Å; M163-F170 HydrophobicContact CB-CD1 4.1Å; M163-F170 HydrophobicContact CB-CD2 3.69Å; M163-F170 HydrophobicContact CB-CE1 4.08Å; M163-F170 HydrophobicContact CB-CE2 3.66Å; M163-F170 HydrophobicContact CB-CG 3.91Å; M163-F170 HydrophobicContact CB-CZ 3.86Å; M163-F170 HydrophobicContact CE-CD2 4.47Å; M163-F170 HydrophobicContact CE-CE2 4.31Å; M163-F170 HydrophobicContact CG-CD2 4.3Å; M163-F170 HydrophobicContact CG-CE2 3.78Å; M163-F170 HydrophobicContact CG-CZ 3.93Å; R164-F170 HydrophobicContact CG-CB 4.41Å; T167-F170 HydrophobicContact CG2-CB 4.33Å; R168-F170 PolarHBondContact O-N 3.08Å; F170-L172 HydrophobicContact CE1-CB 3.95Å; F170-L172 HydrophobicContact CZ-CB 4.19Å; F170-L172 HydrophobicContact CZ-CD1 4.25Å
171	R	91.6	Very high	89.3	Confident	61 Å²	61	41.9 Å²	41.9	23%	0.23	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.6	166.8	-63.2	-178.5	178.9	-178.1	-0.3	110.2	V133 D134 L135 L212 T213 K214	V133-R171 PolarHBondContact O-N 3.03Å; D134-R171 WeakPolarHBondContact OD1-CB 3.2Å; L135-R171 PolarHBondContact N-O 3.44Å; R171-L212 HydrophobicContact CB-CB 4.3Å; R171-L212 HydrophobicContact CB-CD2 4.4Å; R171-T213 CarbonylContact C-O 3.52Å; R171-T213 VanDerWaalsContact CA-O 3.26Å; R171-T213 WeakPolarHBondContact CA-O 3.45Å; R171-K214 HydrophobicContact CG-CG 4.09Å
172	L	92.5	Very high	89.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.9	178	-175.7	59	0	0	0	109	L135 L159 F170 M210 L212 T213 F219	L135-L172 HydrophobicContact CB-CD1 4.4Å; L135-L172 HydrophobicContact CD2-CD1 3.57Å; L135-L172 CarbonylContact O-C 3.58Å; L135-L172 WeakPolarHBondContact O-CA 3.34Å; L159-L172 HydrophobicContact CD2-CD1 4.41Å; F170-L172 HydrophobicContact CE1-CB 3.95Å; F170-L172 HydrophobicContact CZ-CB 4.19Å; F170-L172 HydrophobicContact CZ-CD1 4.25Å; L172-M210 HydrophobicContact CG-CE 4.34Å; L172-M210 WeakPolarHBondContact O-CE 3.44Å; L172-L212 WeakPolarHBondContact O-CA 3.47Å; L172-T213 PolarHBondContact N-O 3.48Å; L172-T213 PolarHBondContact O-N 2.89Å; L172-F219 HydrophobicContact CD1-CD2 4.18Å; L172-F219 HydrophobicContact CD1-CE2 4.15Å; L172-F219 HydrophobicContact CD2-CB 3.67Å; L172-F219 HydrophobicContact CD2-CD1 3.99Å; L172-F219 HydrophobicContact CD2-CD2 3.47Å; L172-F219 VanDerWaalsContact CD2-CD2 3.47Å; L172-F219 HydrophobicContact CD2-CE1 4.49Å; L172-F219 HydrophobicContact CD2-CE2 4.04Å; L172-F219 HydrophobicContact CD2-CG 3.43Å; L172-F219 VanDerWaalsContact CD2-CG 3.43Å; L172-F219 HydrophobicContact CG-CB 4.34Å; L172-F219 HydrophobicContact CG-CD2 3.58Å; L172-F219 HydrophobicContact CG-CE2 4.07Å; L172-F219 HydrophobicContact CG-CG 4.06Å
173	G	95	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.2	175.6	0	0	0	0	0	110	L135 Y137 M210	L135-G173 PolarHBondContact O-N 3.41Å; Y137-G173 PolarHBondContact N-O 3.3Å; G173-M210 CarbonylContact C-O 3.59Å; G173-M210 VanDerWaalsContact CA-O 3.31Å; G173-M210 WeakPolarHBondContact CA-O 3.24Å
174	F	95.1	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	128.7	-175.4	179.4	-122.4	0	0	0	111.6	Y136 Y137 M139 H209 M210 F219 E222 V223 S226	Y136-F174 PolarHBondContact OH-O 3.45Å; Y137-F174 HydrophobicContact CD1-CD2 4.27Å; Y137-F174 HydrophobicContact CD1-CE2 4.32Å; Y137-F174 WeakPolarHBondContact O-CA 3.08Å; M139-F174 HydrophobicContact CB-CE2 3.75Å; M139-F174 HydrophobicContact CB-CZ 4.38Å; M139-F174 HydrophobicContact CE-CE2 4.21Å; M139-F174 HydrophobicContact CE-CZ 3.9Å; M139-F174 HydrophobicContact SD-CE2 4.07Å; M139-F174 HydrophobicContact SD-CZ 4.35Å; F174-H209 HydrophobicContact CD1-CB 3.72Å; F174-H209 AromaticContact CD1-CD2 3.8Å; F174-H209 HydrophobicContact CE1-CB 4.19Å; F174-H209 AromaticContact CE1-CD2 3.52Å; F174-H209 AromaticContact CE1-CG 3.99Å; F174-H209 PolarHBondContact O-N 3.07Å; F174-M210 HydrophobicContact CB-CB 3.96Å; F174-M210 HydrophobicContact CB-CE 4.38Å; F174-M210 PolarHBondContact N-O 2.98Å; F174-M210 PolarHBondContact O-N 3.1Å; F174-F219 HydrophobicContact CB-CD2 3.81Å; F174-F219 HydrophobicContact CB-CE2 3.75Å; F174-F219 AromaticContact CD2-CE2 3.89Å; F174-F219 HydrophobicContact CD2-CE2 3.89Å; F174-F219 HydrophobicContact CD2-CZ 4.36Å; F174-F219 HydrophobicContact CG-CD2 4.39Å; F174-F219 HydrophobicContact CG-CE2 4.03Å; F174-E222 HydrophobicContact CD1-CB 4.21Å; F174-V223 HydrophobicContact CD1-CG2 3.94Å; F174-V223 HydrophobicContact CD2-CG2 3.98Å; F174-V223 HydrophobicContact CE1-CB 4.41Å; F174-V223 HydrophobicContact CE1-CG2 3.83Å; F174-V223 HydrophobicContact CE2-CG2 3.85Å; F174-V223 HydrophobicContact CG-CG2 4.04Å; F174-V223 HydrophobicContact CZ-CB 4.44Å; F174-V223 HydrophobicContact CZ-CG2 3.79Å; F174-S226 WeakPolarHBondContact CE1-OG 3.42Å
175	G	96.5	Very high	91.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.9	169.9	0	0	0	0	0	111.1	Y136 Y137 L138 M139 K207	Y136-G175 VanDerWaalsContact OH-CA 3.25Å; Y136-G175 WeakPolarHBondContact OH-CA 3.49Å; Y136-G175 PolarHBondContact OH-N 2.75Å; Y137-G175 PolarHBondContact O-N 3.43Å; Y137-G175 VanDerWaalsContact O-O 3.07Å; L138-G175 WeakPolarHBondContact CA-O 3.45Å; M139-G175 PolarHBondContact N-O 2.84Å; G175-K207 CarbonylContact C-O 3.49Å; G175-K207 WeakPolarHBondContact CA-O 3.49Å
176	S	96.3	Very high	91.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	163.3	178.6	65.2	0	0	0	0	112.7	M139 L141 Y204 F206 K207 H209	M139-S176 CarbonylContact O-C 3.58Å; M139-S176 WeakPolarHBondContact O-CA 3.47Å; M139-S176 VanDerWaalsContact O-CB 3.24Å; M139-S176 WeakPolarHBondContact O-CB 3.44Å; L141-S176 VanDerWaalsContact CD1-CB 3.41Å; L141-S176 WeakPolarHBondContact CD1-OG 3.36Å; S176-Y204 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y204 PolarHBondContact OG-OH 3.26Å; S176-F206 CarbonylContact O-C 3.56Å; S176-F206 WeakPolarHBondContact O-CA 3.39Å; S176-F206 VanDerWaalsContact O-CD2 3.28Å; S176-F206 WeakPolarHBondContact O-CD2 3.47Å; S176-K207 PolarHBondContact N-O 2.85Å; S176-K207 PolarHBondContact O-N 3.23Å; S176-H209 PolarHBondContact OG-CD2 3.48Å; S176-H209 PolarHBondContact OG-NE2 2.85Å
177	F	97	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.2	176.5	60.1	-88.8	0	0	0	110	L138 M139 D140 L141 G205 E236 A241 F264	L138-F177 HydrophobicContact CB-CE1 4.3Å; M139-F177 PolarHBondContact O-N 3.49Å; M139-F177 VanDerWaalsContact O-N 3.08Å; D140-F177 HydrophobicContact CB-CE1 4.45Å; D140-F177 HydrophobicContact CB-CE2 3.74Å; D140-F177 HydrophobicContact CB-CZ 3.69Å; L141-F177 PolarHBondContact N-O 2.8Å; F177-G205 WeakPolarHBondContact CB-O 3.35Å; F177-E236 HydrophobicContact CD2-CB 4.28Å; F177-E236 HydrophobicContact CE2-CB 4.02Å; F177-A241 HydrophobicContact CB-CB 3.72Å; F177-A241 HydrophobicContact CD1-CB 3.72Å; F177-A241 HydrophobicContact CG-CB 3.92Å; F177-F264 HydrophobicContact CD1-CE2 4.27Å; F177-F264 AromaticContact CE1-CD2 3.92Å; F177-F264 HydrophobicContact CE1-CD2 3.92Å; F177-F264 AromaticContact CE1-CE2 3.4Å; F177-F264 HydrophobicContact CE1-CE2 3.4Å; F177-F264 AromaticContact CE1-CZ 3.86Å; F177-F264 HydrophobicContact CE1-CZ 3.86Å; F177-F264 HydrophobicContact CE2-CE2 4.13Å; F177-F264 AromaticContact CE2-CZ 3.86Å; F177-F264 HydrophobicContact CE2-CZ 3.86Å; F177-F264 HydrophobicContact CZ-CD2 4.14Å; F177-F264 HydrophobicContact CZ-CE1 4.01Å; F177-F264 AromaticContact CZ-CE2 3.31Å; F177-F264 HydrophobicContact CZ-CE2 3.31Å; F177-F264 AromaticContact CZ-CZ 3.23Å; F177-F264 HydrophobicContact CZ-CZ 3.23Å
178	V	95.5	Very high	92.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.			trans	-135.9	-101.7	171.7	-173.7	0	0	0	0	104.4	L141 P203 Y204 E236 G237	L141-V178 HydrophobicContact CB-CG2 4.16Å; V178-P203 HydrophobicContact CG1-CB 4.34Å; V178-Y204 HydrophobicContact CG2-CE1 4.12Å; V178-Y204 PolarHBondContact N-O 3.37Å; V178-E236 VanDerWaalsContact O-OE2 3.13Å; V178-G237 PolarHBondContact O-N 3.34Å
179	D	95	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.			trans	-152.8	176.9	173.4	-151.7	-3	0	0	0	112.8	Y204 N231 H271 Y305	D179-Y204 CarbonylContact O-C 3.41Å; D179-Y204 PolarHBondContact O-N 2.95Å; D179-N231 HydrophobicContact CB-CB 4.16Å; D179-H271 IonicContact OD1-CD2 3.48Å; D179-H271 IonicContact OD2-CD2 2.81Å; D179-H271 PolarHBondContact OD2-CD2 3.46Å; D179-H271 VanDerWaalsContact OD2-CD2 3.3Å; D179-H271 IonicContact OD2-NE2 3.54Å; D179-H271 PolarHBondContact OD2-NE2 3.29Å; D179-Y305 WeakPolarHBondContact OD1-CE1 3.5Å; D179-Y305 VanDerWaalsContact OD1-CZ 3.3Å; D179-Y305 PolarHBondContact OD1-OH 3.36Å; D179-Y305 PolarHBondContact OD2-OH 3.49Å
180	K	95.1	Very high	93.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.			trans	-67.1	131.5	-179.4	-61.9	-175.1	-178.5	-65.6	0	110.8	V182 F185 V186 D240 L281 S300 F303 Y305	K180-V182 HydrophobicContact CB-CG1 4.1Å; K180-V182 PolarHBondContact O-N 3.45Å; K180-F185 HydrophobicContact CB-CD2 4.18Å; K180-V186 WeakPolarHBondContact O-CG1 3.47Å; K180-D240 IonicContact NZ-OD1 3.26Å; K180-D240 IonicContact NZ-OD2 2.74Å; K180-D240 PolarHBondContact NZ-OD2 3.42Å; K180-L281 HydrophobicContact CD-CD1 3.36Å; K180-S300 VanDerWaalsContact CD-O 3.31Å; K180-S300 WeakPolarHBondContact CD-O 3.05Å; K180-S300 WeakPolarHBondContact CG-O 3.36Å; K180-S300 PolarHBondContact NZ-O 3.18Å; K180-F303 WeakPolarHBondContact CE-O 3.15Å; K180-F303 PolarHBondContact NZ-O 3.36Å; K180-Y305 HydrophobicContact CD-CD1 4.39Å; K180-Y305 HydrophobicContact CD-CD2 4.34Å; K180-Y305 HydrophobicContact CD-CE1 3.76Å; K180-Y305 HydrophobicContact CD-CE2 3.71Å; K180-Y305 WeakPolarHBondContact CD-OH 3.48Å; K180-Y305 VanDerWaalsContact CE-CD1 3.49Å; K180-Y305 VanDerWaalsContact CE-CE2 3.44Å; K180-Y305 HydrophobicContact CG-CE1 3.73Å; K180-Y305 HydrophobicContact CG-CE2 4.43Å; K180-Y305 WeakPolarHBondContact CG-OH 3.35Å
181	K	93.5	Very high	93.5	Very high	68 Å²	68	40.6 Å²	40.6	30%	0.296	20%	0.204	S	C	.	.	S	Bend	trans	-76	58.8	176.6	-166.3	-178.4	-179.7	-176.5	0	112.2	V186 N194 E202 P203 T301	K181-V186 HydrophobicContact CG-CG2 4.33Å; K181-N194 PolarHBondContact NZ-OD1 2.81Å; K181-E202 IonicContact NZ-OE2 3.19Å; K181-E202 PolarHBondContact NZ-OE2 3.23Å; K181-P203 HydrophobicContact CB-CG 4.35Å; K181-P203 HydrophobicContact CG-CG 4.13Å; K181-T301 HydrophobicContact CB-CG2 4.36Å
182	V	93.4	Very high	93.4	Very high	35 Å²	35	42 Å²	42	21%	0.212	21%	0.211	C	C	.	.	S	Bend	trans	-143.5	146.3	175.4	67.7	0	0	0	0	110.6	K180 F185 V186 G279 L281	K180-V182 HydrophobicContact CB-CG1 4.1Å; K180-V182 PolarHBondContact O-N 3.45Å; V182-F185 HydrophobicContact CG1-CD2 3.54Å; V182-F185 HydrophobicContact CG1-CE2 3.76Å; V182-F185 WeakPolarHBondContact O-CB 3.46Å; V182-F185 WeakPolarHBondContact O-CD2 3.44Å; V182-F185 PolarHBondContact O-N 3.47Å; V182-V186 PolarHBondContact O-N 3.41Å; V182-V186 VanDerWaalsContact O-N 3.17Å; V182-G279 WeakPolarHBondContact CG2-O 3.33Å; V182-L281 HydrophobicContact CG1-CD1 4.01Å; V182-L281 HydrophobicContact CG1-CG 4.38Å
183	M	93.1	Very high	93.2	Very high	118 Å²	118	42.4 Å²	42.4	58%	0.581	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	139.9	171.3	-174.7	-177.6	-175	0	0	109.1	V186 P188 G279	M183-V186 WeakPolarHBondContact CA-O 3.39Å; M183-P188 HydrophobicContact CB-CB 4.18Å; M183-P188 HydrophobicContact CB-CG 4.14Å; M183-P188 HydrophobicContact CG-CG 4.28Å; M183-P188 HydrophobicContact SD-CG 3.85Å; M183-G279 WeakPolarHBondContact O-CA 3.35Å
184	P	93.7	Very high	93	Very high	52 Å²	52	46.5 Å²	46.5	34%	0.338	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	-3.8	9.3	36.7	-37	0	0	0	115.9	V186 L278	P184-V186 PolarHBondContact O-N 3.31Å; P184-L278 WeakPolarHBondContact CD-O 3.33Å; P184-L278 HydrophobicContact CG-CB 3.89Å
185	F	94.5	Very high	92.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.6	-176.2	-43.7	-67.4	0	0	0	112.2	K180 V182 L232 D233 H271 D275 L278 Y305	K180-F185 HydrophobicContact CB-CD2 4.18Å; V182-F185 HydrophobicContact CG1-CD2 3.54Å; V182-F185 HydrophobicContact CG1-CE2 3.76Å; V182-F185 WeakPolarHBondContact O-CB 3.46Å; V182-F185 WeakPolarHBondContact O-CD2 3.44Å; V182-F185 PolarHBondContact O-N 3.47Å; F185-L232 PolarHBondContact O-N 3.4Å; F185-D233 VanDerWaalsContact CA-OD1 3.3Å; F185-D233 WeakPolarHBondContact CA-OD1 3.36Å; F185-D233 WeakPolarHBondContact CD1-OD2 3.41Å; F185-H271 AromaticContact CD1-CE1 3.97Å; F185-H271 AromaticContact CD1-NE2 3.52Å; F185-H271 AromaticContact CE1-CE1 3.74Å; F185-H271 AromaticContact CE1-NE2 3.72Å; F185-D275 WeakPolarHBondContact CZ-O 3.45Å; F185-L278 HydrophobicContact CZ-CB 4.45Å; F185-Y305 HydrophobicContact CE1-CE2 4.18Å; F185-Y305 HydrophobicContact CE2-CE2 4.33Å; F185-Y305 AromaticContact CZ-CE2 3.9Å; F185-Y305 HydrophobicContact CZ-CE2 3.9Å
186	V	92.4	Very high	92.5	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.03	27%	0.274	C	S	.	.	S	Bend	trans	-131.3	162	174.8	-52.4	0	0	0	0	111.7	K180 K181 V182 M183 P184 P188 P203	K180-V186 WeakPolarHBondContact O-CG1 3.47Å; K181-V186 HydrophobicContact CG-CG2 4.33Å; V182-V186 PolarHBondContact O-N 3.41Å; V182-V186 VanDerWaalsContact O-N 3.17Å; M183-V186 WeakPolarHBondContact CA-O 3.39Å; P184-V186 PolarHBondContact O-N 3.31Å; V186-P188 WeakPolarHBondContact O-CD 3.49Å; V186-P203 HydrophobicContact CB-CG 4.3Å; V186-P203 HydrophobicContact CG1-CB 4.1Å; V186-P203 HydrophobicContact CG1-CG 3.6Å
187	D	91.7	Very high	92.1	Very high	28 Å²	28	56.7 Å²	56.7	15%	0.15	28%	0.284	C	S	.	.			trans	-70.4	120.5	173.3	-170.1	-37.5	0	0	0	109.9	R189 K192 A193 L232	D187-R189 PolarHBondContact O-N 3.2Å; D187-R189 VanDerWaalsContact OD1-CB 3.23Å; D187-R189 WeakPolarHBondContact OD1-CB 3.37Å; D187-R189 VanDerWaalsContact OD1-CG 3.25Å; D187-R189 WeakPolarHBondContact OD1-CG 3.45Å; D187-R189 IonicContact OD1-CZ 2.69Å; D187-R189 PolarHBondContact OD1-N 3.47Å; D187-R189 IonicContact OD1-NE 3.09Å; D187-R189 PolarHBondContact OD1-NE 3.44Å; D187-R189 IonicContact OD2-CZ 2.64Å; D187-R189 VanDerWaalsContact OD2-CZ 3.26Å; D187-R189 IonicContact OD2-NE 3.52Å; D187-R189 PolarHBondContact OD2-NE 2.9Å; D187-R189 IonicContact OD2-NH2 2.65Å; D187-R189 PolarHBondContact OD2-NH2 3Å; D187-K192 HydrophobicContact CB-CB 3.62Å; D187-K192 HydrophobicContact CB-CG 4.49Å; D187-A193 WeakPolarHBondContact O-CA 3.41Å; D187-A193 VanDerWaalsContact O-CB 3.26Å; D187-A193 WeakPolarHBondContact O-CB 3.28Å; D187-A193 PolarHBondContact O-N 2.86Å; D187-L232 HydrophobicContact CB-CD1 3.98Å; D187-L232 HydrophobicContact CB-CG 4.49Å; D187-L232 VanDerWaalsContact N-CD1 3.34Å
188	P	89.5	Confident	91.6	Very high	75 Å²	75	61.4 Å²	61.4	49%	0.487	32%	0.317	S	S	.	.			trans	-73.1	-12.2	-176.1	30.7	-36.9	0	0	0	113.5	M183 V186	M183-P188 HydrophobicContact CB-CB 4.18Å; M183-P188 HydrophobicContact CB-CG 4.14Å; M183-P188 HydrophobicContact CG-CG 4.28Å; M183-P188 HydrophobicContact SD-CG 3.85Å; V186-P188 WeakPolarHBondContact O-CD 3.49Å
189	R	92.6	Very high	91.2	Very high	146 Å²	146	65.1 Å²	65.1	55%	0.551	34%	0.343	S	S	*	.	S	Bend	trans	-66.1	125.7	179.4	-65	177.7	-66.5	173.9	-3.8	109	D187 E191 K192 A193	D187-R189 PolarHBondContact O-N 3.2Å; D187-R189 VanDerWaalsContact OD1-CB 3.23Å; D187-R189 WeakPolarHBondContact OD1-CB 3.37Å; D187-R189 VanDerWaalsContact OD1-CG 3.25Å; D187-R189 WeakPolarHBondContact OD1-CG 3.45Å; D187-R189 IonicContact OD1-CZ 2.69Å; D187-R189 PolarHBondContact OD1-N 3.47Å; D187-R189 IonicContact OD1-NE 3.09Å; D187-R189 PolarHBondContact OD1-NE 3.44Å; D187-R189 IonicContact OD2-CZ 2.64Å; D187-R189 VanDerWaalsContact OD2-CZ 3.26Å; D187-R189 IonicContact OD2-NE 3.52Å; D187-R189 PolarHBondContact OD2-NE 2.9Å; D187-R189 IonicContact OD2-NH2 2.65Å; D187-R189 PolarHBondContact OD2-NH2 3Å; R189-E191 PolarHBondContact O-N 3.3Å; R189-K192 CarbonylContact O-C 3.54Å; R189-K192 WeakPolarHBondContact O-CA 2.99Å; R189-K192 PolarHBondContact O-N 2.53Å; R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.12Å
190	P	90.2	Very high	91	Very high	94 Å²	94	65.5 Å²	65.5	61%	0.61	35%	0.346	S	S	*	.	H	α-helix	trans	-52.5	-35.7	-174.5	-30	35.2	0	0	0	114.8	K192 N194	P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 2.66Å; P190-N194 VanDerWaalsContact O-CB 3.28Å; P190-N194 WeakPolarHBondContact O-CB 3.34Å; P190-N194 PolarHBondContact O-N 3.45Å; P190-N194 PolarHBondContact O-ND2 3.07Å
191	E	90.3	Very high	90.9	Very high	170 Å²	170	68.3 Å²	68.3	79%	0.794	36%	0.363	S	S	*	.	H	α-helix	trans	-61.6	-34.1	176.7	-63.2	180	-178.4	0	0	113.3	R189	R189-E191 PolarHBondContact O-N 3.3Å
192	K	89.5	Confident	90.8	Very high	90 Å²	90	69.7 Å²	69.7	39%	0.391	37%	0.37	S	S	.	.	H	α-helix	trans	-96.3	-37.6	179.4	-67.8	-64.5	-170.2	175	0	112	D187 R189 P190 N194 R195 P196	D187-K192 HydrophobicContact CB-CB 3.62Å; D187-K192 HydrophobicContact CB-CG 4.49Å; R189-K192 CarbonylContact O-C 3.54Å; R189-K192 WeakPolarHBondContact O-CA 2.99Å; R189-K192 PolarHBondContact O-N 2.53Å; P190-K192 VanDerWaalsContact C-N 3.28Å; P190-K192 PolarHBondContact O-N 2.66Å; K192-N194 VanDerWaalsContact C-N 3.32Å; K192-N194 PolarHBondContact O-N 2.86Å; K192-R195 CarbonylContact O-C 3.57Å; K192-R195 PolarHBondContact O-N 3.3Å; K192-P196 WeakPolarHBondContact O-CA 3.2Å; K192-P196 WeakPolarHBondContact O-CD 3.21Å; K192-P196 WeakPolarHBondContact O-CG 3.26Å
193	A	88.1	Confident	90.8	Very high	9 Å²	9	68.2 Å²	68.2	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-40.4	175.2	0	0	0	0	0	112.4	D187 R189 P203	D187-A193 WeakPolarHBondContact O-CA 3.41Å; D187-A193 VanDerWaalsContact O-CB 3.26Å; D187-A193 WeakPolarHBondContact O-CB 3.28Å; D187-A193 PolarHBondContact O-N 2.86Å; R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.12Å; A193-P203 WeakPolarHBondContact O-CD 3.5Å
194	N	90.9	Very high	90.9	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	34%	0.338	S	S	.	.	S	Bend	trans	-87	-19.9	-179.5	-63.4	-23.4	0	0	0	112.7	K181 P190 K192 E202	K181-N194 PolarHBondContact NZ-OD1 2.81Å; P190-N194 VanDerWaalsContact O-CB 3.28Å; P190-N194 WeakPolarHBondContact O-CB 3.34Å; P190-N194 PolarHBondContact O-N 3.45Å; P190-N194 PolarHBondContact O-ND2 3.07Å; K192-N194 VanDerWaalsContact C-N 3.32Å; K192-N194 PolarHBondContact O-N 2.86Å; N194-E202 PolarHBondContact O-N 2.87Å
195	R	91.3	Very high	91	Very high	148 Å²	148	61.3 Å²	61.3	56%	0.558	32%	0.323	S	S	*	.			trans	-149.3	79.9	-179	-169.6	170.2	171.2	-159.3	-1.5	110.5	K192 C197 S198	K192-R195 CarbonylContact O-C 3.57Å; K192-R195 PolarHBondContact O-N 3.3Å; R195-C197 WeakPolarHBondContact CG-O 3.02Å; R195-C197 PolarHBondContact O-N 3.31Å; R195-S198 PolarHBondContact NE-O 3.19Å; R195-S198 PolarHBondContact NH2-O 3.3Å
196	P	89.6	Confident	91.2	Very high	32 Å²	32	61.4 Å²	61.4	21%	0.208	32%	0.323	C	S	.	.	S	Bend	trans	-58.8	-36.1	-174.1	-26	34.4	0	0	0	113.3	K192 C200 V201 G230	K192-P196 WeakPolarHBondContact O-CA 3.2Å; K192-P196 WeakPolarHBondContact O-CD 3.21Å; K192-P196 WeakPolarHBondContact O-CG 3.26Å; P196-C200 HydrophobicContact CB-CB 4.37Å; P196-C200 HydrophobicContact CG-CB 4.5Å; P196-V201 VanDerWaalsContact CD-O 3.32Å; P196-V201 WeakPolarHBondContact CD-O 3.44Å; P196-G230 WeakPolarHBondContact CB-O 3.14Å; P196-G230 VanDerWaalsContact CG-O 3.26Å; P196-G230 WeakPolarHBondContact CG-O 3.44Å
197	C	87.9	Confident	91.4	Very high	33 Å²	33	63.1 Å²	63.1	22%	0.223	33%	0.33	C	S	.	.	S	Bend	trans	-138.2	171.5	177.3	88.1	0	0	0	0	111.6	R195 S199 C200	R195-C197 WeakPolarHBondContact CG-O 3.02Å; R195-C197 PolarHBondContact O-N 3.31Å; C197-S199 VanDerWaalsContact C-N 3.27Å; C197-S199 PolarHBondContact O-N 2.98Å; C197-C200 HydrophobicContact CB-CB 3.91Å; C197-C200 WeakPolarHBondContact CB-SG 3.19Å; C197-C200 PolarHBondContact O-N 3.47Å; C197-C200 WeakPolarHBondContact SG-CB 3.35Å; C197-C200 PolarHBondContact SG-N 2.99Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 2.96Å
198	S	86.8	Confident	91.7	Very high	99 Å²	99	62.7 Å²	62.7	69%	0.692	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.5	-175.2	51.9	0	0	0	0	113.9	R195	R195-S198 PolarHBondContact NE-O 3.19Å; R195-S198 PolarHBondContact NH2-O 3.3Å
199	S	86.4	Confident	92	Very high	78 Å²	78	60.3 Å²	60.3	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	2.6	179	54.3	0	0	0	0	114.2	C197	C197-S199 VanDerWaalsContact C-N 3.27Å; C197-S199 PolarHBondContact O-N 2.98Å
200	C	90.9	Very high	92.1	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.054	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-91.5	142.5	-172.6	-66.6	0	0	0	0	112	P196 C197 V228	P196-C200 HydrophobicContact CB-CB 4.37Å; P196-C200 HydrophobicContact CG-CB 4.5Å; C197-C200 HydrophobicContact CB-CB 3.91Å; C197-C200 WeakPolarHBondContact CB-SG 3.19Å; C197-C200 PolarHBondContact O-N 3.47Å; C197-C200 WeakPolarHBondContact SG-CB 3.35Å; C197-C200 PolarHBondContact SG-N 2.99Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 2.96Å; C200-V228 VanDerWaalsContact CA-O 3.3Å; C200-V228 WeakPolarHBondContact CA-O 3.38Å
201	V	91.9	Very high	92.4	Very high	59 Å²	59	55 Å²	55	36%	0.358	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-82.7	169.7	163.8	-65.4	0	0	0	0	110.8	P196 A227 V228 S229	P196-V201 VanDerWaalsContact CD-O 3.32Å; P196-V201 WeakPolarHBondContact CD-O 3.44Å; V201-A227 HydrophobicContact CB-CB 4.36Å; V201-A227 HydrophobicContact CG1-CB 3.5Å; V201-A227 HydrophobicContact CG2-CB 3.96Å; V201-V228 PolarHBondContact N-O 3.03Å; V201-S229 WeakPolarHBondContact O-CB 3.35Å; V201-S229 PolarHBondContact O-OG 3.46Å
202	E	92.7	Very high	92.6	Very high	97 Å²	97	47.2 Å²	47.2	45%	0.453	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-60.2	146.2	172.2	67.7	-176.5	146.8	0	0	111.9	K181 N194 S229	K181-E202 IonicContact NZ-OE2 3.19Å; K181-E202 PolarHBondContact NZ-OE2 3.23Å; N194-E202 PolarHBondContact O-N 2.87Å; E202-S229 VanDerWaalsContact C-OG 3.24Å; E202-S229 PolarHBondContact O-OG 2.96Å
203	P	93.6	Very high	92.8	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-76	153	180	29.1	-30.5	0	0	0	111.5	V178 K181 V186 A193 S229	V178-P203 HydrophobicContact CG1-CB 4.34Å; K181-P203 HydrophobicContact CB-CG 4.35Å; K181-P203 HydrophobicContact CG-CG 4.13Å; V186-P203 HydrophobicContact CB-CG 4.3Å; V186-P203 HydrophobicContact CG1-CB 4.1Å; V186-P203 HydrophobicContact CG1-CG 3.6Å; A193-P203 WeakPolarHBondContact O-CD 3.5Å; P203-S229 WeakPolarHBondContact CA-OG 3.47Å; P203-S229 VanDerWaalsContact N-OG 3.11Å
204	Y	95.4	Very high	92.7	Very high	25 Å²	25	48.8 Å²	48.8	10%	0.098	25%	0.251	C	S	.	.			trans	-151.3	148.3	-178.6	56.2	-86.5	0	0	0	110	L141 S176 V178 D179 K207 Y296	L141-Y204 WeakPolarHBondContact CD1-OH 3.23Å; S176-Y204 WeakPolarHBondContact OG-CE2 3.32Å; S176-Y204 PolarHBondContact OG-OH 3.26Å; V178-Y204 HydrophobicContact CG2-CE1 4.12Å; V178-Y204 PolarHBondContact N-O 3.37Å; D179-Y204 CarbonylContact O-C 3.41Å; D179-Y204 PolarHBondContact O-N 2.95Å; Y204-K207 HydrophobicContact CD2-CB 3.86Å; Y204-K207 HydrophobicContact CE2-CB 3.54Å; Y204-Y296 HydrophobicContact CD1-CE1 4.37Å; Y204-Y296 HydrophobicContact CG-CD1 4.41Å; Y204-Y296 HydrophobicContact CG-CE1 4.16Å
205	G	95.3	Very high	92.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-69	-43.8	-179.1	0	0	0	0	0	113.6	F177 S300	F177-G205 WeakPolarHBondContact CB-O 3.35Å; G205-S300 WeakPolarHBondContact CA-OG 3.34Å; G205-S300 PolarHBondContact N-OG 3.17Å
206	F	97.9	Very high	91.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.225	C	C	.	.			trans	-156.8	145.7	176.6	171	-113.9	0	0	0	112.1	Y136 L138 S176 N208 A241 Q244 A245 I252 L291 Y297	Y136-F206 HydrophobicContact CE1-CE2 4.38Å; Y136-F206 HydrophobicContact CE1-CZ 4.26Å; Y136-F206 WeakPolarHBondContact OH-CZ 3.26Å; L138-F206 HydrophobicContact CD2-CD2 4.16Å; L138-F206 HydrophobicContact CD2-CE2 3.48Å; L138-F206 VanDerWaalsContact CD2-CE2 3.48Å; L138-F206 HydrophobicContact CD2-CZ 4.38Å; S176-F206 CarbonylContact O-C 3.56Å; S176-F206 WeakPolarHBondContact O-CA 3.39Å; S176-F206 VanDerWaalsContact O-CD2 3.28Å; S176-F206 WeakPolarHBondContact O-CD2 3.47Å; F206-N208 HydrophobicContact CE1-CB 4.31Å; F206-N208 HydrophobicContact CZ-CB 4.17Å; F206-A241 HydrophobicContact CB-CB 4.11Å; F206-A241 HydrophobicContact CD2-CB 3.49Å; F206-A241 VanDerWaalsContact CD2-CB 3.49Å; F206-A241 HydrophobicContact CE2-CB 4.22Å; F206-A241 HydrophobicContact CG-CB 4.04Å; F206-Q244 HydrophobicContact CD1-CB 3.38Å; F206-Q244 HydrophobicContact CD1-CG 4Å; F206-Q244 HydrophobicContact CE1-CB 3.59Å; F206-Q244 HydrophobicContact CG-CB 4.2Å; F206-A245 HydrophobicContact CZ-CB 4.38Å; F206-I252 HydrophobicContact CZ-CD1 4.23Å; F206-L291 HydrophobicContact CD1-CD2 3.73Å; F206-L291 HydrophobicContact CE1-CD1 4.12Å; F206-L291 HydrophobicContact CE1-CD2 3.8Å; F206-L291 HydrophobicContact CE1-CG 4.46Å; F206-Y297 PolarHBondContact O-N 3.4Å
207	K	97.5	Very high	91.5	Very high	41 Å²	41	47.8 Å²	47.8	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.2	170.2	-177.1	174.8	177.6	-177.5	0	111.9	G175 S176 Y204 H209 G295 Y296	G175-K207 CarbonylContact C-O 3.49Å; G175-K207 WeakPolarHBondContact CA-O 3.49Å; S176-K207 PolarHBondContact N-O 2.85Å; S176-K207 PolarHBondContact O-N 3.23Å; Y204-K207 HydrophobicContact CD2-CB 3.86Å; Y204-K207 HydrophobicContact CE2-CB 3.54Å; K207-H209 WeakPolarHBondContact CD-CE1 3.36Å; K207-H209 VanDerWaalsContact CE-ND1 3.33Å; K207-H209 WeakPolarHBondContact CE-ND1 3.17Å; K207-G295 CarbonylContact C-O 3.57Å; K207-G295 VanDerWaalsContact CA-O 3.29Å; K207-G295 WeakPolarHBondContact CA-O 3.43Å; K207-Y296 HydrophobicContact CB-CD1 4.31Å; K207-Y296 HydrophobicContact CB-CE1 4.38Å; K207-Y296 HydrophobicContact CD-CD1 4.24Å; K207-Y296 HydrophobicContact CD-CD2 4.41Å; K207-Y296 HydrophobicContact CD-CE1 3.68Å; K207-Y296 HydrophobicContact CD-CE2 3.85Å; K207-Y296 VanDerWaalsContact CD-CZ 3.45Å; K207-Y296 HydrophobicContact CG-CD1 4.38Å; K207-Y296 HydrophobicContact CG-CE1 4.29Å; K207-Y296 HydrophobicContact CG-CE2 4.49Å; K207-Y296 PolarHBondContact NZ-OH 3.02Å
208	N	97.8	Very high	91.6	Very high	19 Å²	19	50.4 Å²	50.4	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	104.6	164.1	177	30.7	0	0	0	109.4	Y136 F206 M210 E251 I252 L291 G295	Y136-N208 PolarHBondContact OH-OD1 3Å; Y136-N208 VanDerWaalsContact OH-OD1 3.05Å; F206-N208 HydrophobicContact CE1-CB 4.31Å; F206-N208 HydrophobicContact CZ-CB 4.17Å; N208-M210 PolarHBondContact OD1-O 2.79Å; N208-E251 PolarHBondContact ND2-O 3.45Å; N208-E251 VanDerWaalsContact ND2-O 3.12Å; N208-I252 HydrophobicContact CB-CD1 3.84Å; N208-L291 HydrophobicContact CB-CD1 4.09Å; N208-G295 PolarHBondContact N-O 2.96Å
209	H	95.9	Very high	91.7	Very high	26 Å²	26	45.9 Å²	45.9	12%	0.12	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-38.1	176.9	-63.1	-84.8	0	0	0	111.5	F174 S176 K207 S226	F174-H209 HydrophobicContact CD1-CB 3.72Å; F174-H209 AromaticContact CD1-CD2 3.8Å; F174-H209 HydrophobicContact CE1-CB 4.19Å; F174-H209 AromaticContact CE1-CD2 3.52Å; F174-H209 AromaticContact CE1-CG 3.99Å; F174-H209 PolarHBondContact O-N 3.07Å; S176-H209 PolarHBondContact OG-CD2 3.48Å; S176-H209 PolarHBondContact OG-NE2 2.85Å; K207-H209 WeakPolarHBondContact CD-CE1 3.36Å; K207-H209 VanDerWaalsContact CE-ND1 3.33Å; K207-H209 WeakPolarHBondContact CE-ND1 3.17Å; H209-S226 PolarHBondContact CE1-OG 3.11Å; H209-S226 PolarHBondContact ND1-OG 3.15Å; H209-S226 PolarHBondContact NE2-OG 3.02Å
210	M	94.8	Very high	91.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	112.5	-172.8	-165.4	-173.5	73	0	0	111.4	L172 G173 F174 N208 T213 R218 F219 E222	L172-M210 HydrophobicContact CG-CE 4.34Å; L172-M210 WeakPolarHBondContact O-CE 3.44Å; G173-M210 CarbonylContact C-O 3.59Å; G173-M210 VanDerWaalsContact CA-O 3.31Å; G173-M210 WeakPolarHBondContact CA-O 3.24Å; F174-M210 HydrophobicContact CB-CB 3.96Å; F174-M210 HydrophobicContact CB-CE 4.38Å; F174-M210 PolarHBondContact N-O 2.98Å; F174-M210 PolarHBondContact O-N 3.1Å; N208-M210 PolarHBondContact OD1-O 2.79Å; M210-T213 HydrophobicContact CE-CG2 4.25Å; M210-T213 HydrophobicContact CG-CG2 4.42Å; M210-T213 HydrophobicContact SD-CG2 4.12Å; M210-R218 HydrophobicContact CG-CG 4.18Å; M210-R218 HydrophobicContact SD-CB 3.93Å; M210-R218 HydrophobicContact SD-CG 3.6Å; M210-F219 HydrophobicContact CE-CB 3.91Å; M210-F219 HydrophobicContact CE-CD2 3.86Å; M210-F219 HydrophobicContact CE-CG 4.4Å; M210-F219 HydrophobicContact SD-CB 4.18Å; M210-E222 HydrophobicContact CB-CB 4.48Å; M210-E222 HydrophobicContact CB-CG 4.08Å; M210-E222 HydrophobicContact CG-CG 4.22Å; M210-E222 HydrophobicContact SD-CG 4.17Å
211	R	95.9	Very high	91.5	Very high	128 Å²	128	48.4 Å²	48.4	48%	0.483	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	145.2	165.1	-172.7	-170.7	-177.1	112.7	8.5	110.9	T213 D250 E251 I252	R211-T213 PolarHBondContact O-N 3.27Å; R211-D250 PolarHBondContact NH1-O 3.25Å; R211-D250 PolarHBondContact NH2-O 3.49Å; R211-E251 WeakPolarHBondContact CG-O 3.39Å; R211-I252 WeakPolarHBondContact CG-O 3.35Å
212	L	95	Very high	91.4	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	118.2	171.9	-73.1	161.3	0	0	0	111.9	D134 L135 Y136 R171 L172 I252 W254	D134-L212 HydrophobicContact CB-CD1 3.97Å; D134-L212 HydrophobicContact CB-CD2 4.04Å; L135-L212 WeakPolarHBondContact O-CD2 3.45Å; Y136-L212 HydrophobicContact CD2-CG 4.4Å; R171-L212 HydrophobicContact CB-CB 4.3Å; R171-L212 HydrophobicContact CB-CD2 4.4Å; L172-L212 WeakPolarHBondContact O-CA 3.47Å; L212-I252 WeakPolarHBondContact CB-O 3.36Å; L212-I252 HydrophobicContact CD1-CG2 3.98Å; L212-I252 HydrophobicContact CG-CG2 4.36Å; L212-I252 WeakPolarHBondContact CG-O 3.31Å; L212-I252 PolarHBondContact N-O 2.79Å; L212-W254 HydrophobicContact CD1-CD2 3.69Å; L212-W254 HydrophobicContact CD1-CE3 3.39Å; L212-W254 HydrophobicContact CD1-CG 4.27Å; L212-W254 HydrophobicContact CD1-CH2 4.35Å; L212-W254 HydrophobicContact CD1-CZ3 3.76Å
213	T	92.4	Very high	91.2	Very high	41 Å²	41	42.2 Å²	42.2	25%	0.252	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161	-177.2	-176.8	0	0	0	0	112	R171 L172 M210 R211 D215	R171-T213 CarbonylContact C-O 3.52Å; R171-T213 VanDerWaalsContact CA-O 3.26Å; R171-T213 WeakPolarHBondContact CA-O 3.45Å; L172-T213 PolarHBondContact N-O 3.48Å; L172-T213 PolarHBondContact O-N 2.89Å; M210-T213 HydrophobicContact CE-CG2 4.25Å; M210-T213 HydrophobicContact CG-CG2 4.42Å; M210-T213 HydrophobicContact SD-CG2 4.12Å; R211-T213 PolarHBondContact O-N 3.27Å; T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 HydrophobicContact CG2-CB 4.07Å; T213-D215 PolarHBondContact OG1-N 2.92Å
214	K	86.7	Confident	90.9	Very high	92 Å²	92	47.2 Å²	47.2	40%	0.4	22%	0.215	S	C	.	.	S	Bend	trans	-78.7	-11.3	170.6	-65.1	-177.1	-178	173.5	0	112.2	E98 R164 R171 T216	E98-K214 IonicContact OE1-NZ 3.03Å; E98-K214 PolarHBondContact OE1-NZ 2.89Å; R164-K214 PolarHBondContact NH2-O 2.79Å; R171-K214 HydrophobicContact CG-CG 4.09Å; K214-T216 PolarHBondContact O-N 3Å
215	D	87	Confident	90.6	Very high	74 Å²	74	52.1 Å²	52.1	40%	0.396	24%	0.239	S	C	.	.			trans	-79.9	94	178.9	-175.7	1.5	0	0	0	111.7	T213 K217 R218	T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 HydrophobicContact CG2-CB 4.07Å; T213-D215 PolarHBondContact OG1-N 2.92Å; D215-K217 PolarHBondContact OD1-N 2.84Å; D215-R218 HydrophobicContact CB-CB 4.23Å; D215-R218 WeakPolarHBondContact O-CB 3.43Å; D215-R218 PolarHBondContact OD1-N 2.89Å
216	T	76.6	Confident	90.4	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-77.4	-28.5	-175.3	59.6	0	0	0	0	112.3	S160 K214 R218 F219	S160-T216 VanDerWaalsContact OG-CB 3.26Å; S160-T216 WeakPolarHBondContact OG-CB 3.32Å; S160-T216 WeakPolarHBondContact OG-CG2 3.3Å; K214-T216 PolarHBondContact O-N 3Å; T216-R218 PolarHBondContact O-N 2.85Å; T216-F219 VanDerWaalsContact O-CB 3.29Å; T216-F219 WeakPolarHBondContact O-CB 3.49Å; T216-F219 PolarHBondContact O-N 3.36Å; T216-F219 VanDerWaalsContact O-N 3.12Å
217	K	83.9	Confident	90	Very high	156 Å²	156	54.2 Å²	54.2	68%	0.678	26%	0.256	S	S	*	.	H	α-helix	trans	-67.4	-29.3	177.6	-67	-173.6	177.9	-175.2	0	111.5	D215 F219 R221	D215-K217 PolarHBondContact OD1-N 2.84Å; K217-F219 VanDerWaalsContact C-N 3.29Å; K217-F219 PolarHBondContact O-N 3.02Å; K217-R221 PolarHBondContact O-N 3.41Å
218	R	89.1	Confident	89.7	Confident	88 Å²	88	52.9 Å²	52.9	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-38.9	172.5	-176.8	171.4	-177.8	-175	-4.9	111.9	M210 D215 T216 A220 R221 E222	M210-R218 HydrophobicContact CG-CG 4.18Å; M210-R218 HydrophobicContact SD-CB 3.93Å; M210-R218 HydrophobicContact SD-CG 3.6Å; D215-R218 HydrophobicContact CB-CB 4.23Å; D215-R218 WeakPolarHBondContact O-CB 3.43Å; D215-R218 PolarHBondContact OD1-N 2.89Å; T216-R218 PolarHBondContact O-N 2.85Å; R218-A220 PolarHBondContact O-N 2.88Å; R218-R221 WeakPolarHBondContact O-CB 3.25Å; R218-R221 PolarHBondContact O-N 3.43Å; R218-E222 HydrophobicContact CG-CG 3.79Å; R218-E222 IonicContact CZ-OE1 2.76Å; R218-E222 IonicContact NE-OE1 3.88Å; R218-E222 PolarHBondContact NE-OE1 2.97Å; R218-E222 IonicContact NH2-OE1 3.21Å; R218-E222 PolarHBondContact NH2-OE1 2.9Å; R218-E222 WeakPolarHBondContact O-CG 3.1Å; R218-E222 PolarHBondContact O-N 2.78Å
219	F	88.1	Confident	89.5	Confident	3 Å²	3	52 Å²	52	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-52.1	179.6	178.9	-91.3	0	0	0	112.1	Y137 L172 F174 M210 T216 K217 R221 E222 V223	Y137-F219 HydrophobicContact CG-CE2 4.38Å; Y137-F219 HydrophobicContact CG-CZ 4.2Å; L172-F219 HydrophobicContact CD1-CD2 4.18Å; L172-F219 HydrophobicContact CD1-CE2 4.15Å; L172-F219 HydrophobicContact CD2-CB 3.67Å; L172-F219 HydrophobicContact CD2-CD1 3.99Å; L172-F219 HydrophobicContact CD2-CD2 3.47Å; L172-F219 VanDerWaalsContact CD2-CD2 3.47Å; L172-F219 HydrophobicContact CD2-CE1 4.49Å; L172-F219 HydrophobicContact CD2-CE2 4.04Å; L172-F219 HydrophobicContact CD2-CG 3.43Å; L172-F219 VanDerWaalsContact CD2-CG 3.43Å; L172-F219 HydrophobicContact CG-CB 4.34Å; L172-F219 HydrophobicContact CG-CD2 3.58Å; L172-F219 HydrophobicContact CG-CE2 4.07Å; L172-F219 HydrophobicContact CG-CG 4.06Å; F174-F219 HydrophobicContact CB-CD2 3.81Å; F174-F219 HydrophobicContact CB-CE2 3.75Å; F174-F219 AromaticContact CD2-CE2 3.89Å; F174-F219 HydrophobicContact CD2-CE2 3.89Å; F174-F219 HydrophobicContact CD2-CZ 4.36Å; F174-F219 HydrophobicContact CG-CD2 4.39Å; F174-F219 HydrophobicContact CG-CE2 4.03Å; M210-F219 HydrophobicContact CE-CB 3.91Å; M210-F219 HydrophobicContact CE-CD2 3.86Å; M210-F219 HydrophobicContact CE-CG 4.4Å; M210-F219 HydrophobicContact SD-CB 4.18Å; T216-F219 VanDerWaalsContact O-CB 3.29Å; T216-F219 WeakPolarHBondContact O-CB 3.49Å; T216-F219 PolarHBondContact O-N 3.36Å; T216-F219 VanDerWaalsContact O-N 3.12Å; K217-F219 VanDerWaalsContact C-N 3.29Å; K217-F219 PolarHBondContact O-N 3.02Å; F219-R221 PolarHBondContact O-N 2.93Å; F219-E222 PolarHBondContact O-N 3.04Å; F219-E222 VanDerWaalsContact O-N 3.16Å; F219-V223 HydrophobicContact CD1-CG2 4Å; F219-V223 HydrophobicContact CD2-CG2 4.42Å; F219-V223 HydrophobicContact CE1-CG2 3.66Å; F219-V223 HydrophobicContact CE2-CG2 4.11Å; F219-V223 HydrophobicContact CG-CG2 4.38Å; F219-V223 HydrophobicContact CZ-CG2 3.72Å; F219-V223 WeakPolarHBondContact O-CG2 3.41Å; F219-V223 PolarHBondContact O-N 2.82Å
220	A	84.4	Confident	89.1	Confident	20 Å²	20	51.2 Å²	51.2	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-38.6	-179.8	0	0	0	0	0	111.9	T153 R218 N224	T153-A220 WeakPolarHBondContact O-CB 3.37Å; R218-A220 PolarHBondContact O-N 2.88Å; A220-N224 VanDerWaalsContact O-CB 3.31Å; A220-N224 WeakPolarHBondContact O-CB 3.28Å; A220-N224 PolarHBondContact O-N 2.97Å
221	R	88.7	Confident	88.8	Confident	119 Å²	119	52.8 Å²	52.8	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-50.1	174.9	-175.3	178.1	67.5	-124.8	1.9	112	K217 R218 F219 V223 N224 E225	K217-R221 PolarHBondContact O-N 3.41Å; R218-R221 WeakPolarHBondContact O-CB 3.25Å; R218-R221 PolarHBondContact O-N 3.43Å; F219-R221 PolarHBondContact O-N 2.93Å; R221-V223 PolarHBondContact O-N 3.04Å; R221-N224 PolarHBondContact O-N 3.21Å; R221-N224 VanDerWaalsContact O-N 3.17Å; R221-E225 WeakPolarHBondContact CD-OE1 3.37Å; R221-E225 HydrophobicContact CG-CG 4.31Å; R221-E225 WeakPolarHBondContact CG-OE1 3.33Å; R221-E225 WeakPolarHBondContact O-CB 3.4Å; R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 3.47Å
222	E	91.7	Very high	88.6	Confident	26 Å²	26	52.3 Å²	52.3	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-39.5	-177.6	-60.2	-80.8	-175.9	0	0	111.4	F174 M210 R218 F219 S226	F174-E222 HydrophobicContact CD1-CB 4.21Å; M210-E222 HydrophobicContact CB-CB 4.48Å; M210-E222 HydrophobicContact CB-CG 4.08Å; M210-E222 HydrophobicContact CG-CG 4.22Å; M210-E222 HydrophobicContact SD-CG 4.17Å; R218-E222 HydrophobicContact CG-CG 3.79Å; R218-E222 IonicContact CZ-OE1 2.76Å; R218-E222 IonicContact NE-OE1 3.88Å; R218-E222 PolarHBondContact NE-OE1 2.97Å; R218-E222 IonicContact NH2-OE1 3.21Å; R218-E222 PolarHBondContact NH2-OE1 2.9Å; R218-E222 WeakPolarHBondContact O-CG 3.1Å; R218-E222 PolarHBondContact O-N 2.78Å; F219-E222 PolarHBondContact O-N 3.04Å; F219-E222 VanDerWaalsContact O-N 3.16Å; E222-S226 WeakPolarHBondContact O-CB 3.42Å; E222-S226 PolarHBondContact O-N 3.47Å; E222-S226 PolarHBondContact O-OG 2.86Å
223	V	88.3	Confident	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-40.5	173.6	175.5	0	0	0	0	111.4	M139 K149 L152 T153 F174 F219 R221 S226	M139-V223 HydrophobicContact CE-CG1 4.44Å; K149-V223 HydrophobicContact CG-CG1 4.14Å; K149-V223 PolarHBondContact NZ-O 3.47Å; K149-V223 VanDerWaalsContact NZ-O 3.08Å; L152-V223 HydrophobicContact CB-CG1 4.23Å; T153-V223 HydrophobicContact CG2-CB 4.08Å; T153-V223 HydrophobicContact CG2-CG1 3.73Å; F174-V223 HydrophobicContact CD1-CG2 3.94Å; F174-V223 HydrophobicContact CD2-CG2 3.98Å; F174-V223 HydrophobicContact CE1-CB 4.41Å; F174-V223 HydrophobicContact CE1-CG2 3.83Å; F174-V223 HydrophobicContact CE2-CG2 3.85Å; F174-V223 HydrophobicContact CG-CG2 4.04Å; F174-V223 HydrophobicContact CZ-CB 4.44Å; F174-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 HydrophobicContact CD1-CG2 4Å; F219-V223 HydrophobicContact CD2-CG2 4.42Å; F219-V223 HydrophobicContact CE1-CG2 3.66Å; F219-V223 HydrophobicContact CE2-CG2 4.11Å; F219-V223 HydrophobicContact CG-CG2 4.38Å; F219-V223 HydrophobicContact CZ-CG2 3.72Å; F219-V223 WeakPolarHBondContact O-CG2 3.41Å; F219-V223 PolarHBondContact O-N 2.82Å; R221-V223 PolarHBondContact O-N 3.04Å; V223-S226 PolarHBondContact O-N 2.94Å
224	N	86.5	Confident	88.4	Confident	109 Å²	109	55.9 Å²	55.9	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-68	-43.2	178.9	-165.9	26.2	0	0	0	112	K149 T153 A220 R221 S226	K149-N224 PolarHBondContact NZ-O 3.08Å; T153-N224 HydrophobicContact CG2-CB 3.84Å; A220-N224 VanDerWaalsContact O-CB 3.31Å; A220-N224 WeakPolarHBondContact O-CB 3.28Å; A220-N224 PolarHBondContact O-N 2.97Å; R221-N224 PolarHBondContact O-N 3.21Å; R221-N224 VanDerWaalsContact O-N 3.17Å; N224-S226 VanDerWaalsContact C-N 3.28Å; N224-S226 PolarHBondContact O-N 3.21Å
225	E	90.1	Very high	88.8	Confident	129 Å²	129	53.5 Å²	53.5	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-71.2	-21	179	-71.8	174.1	-174.5	0	0	113.1	R221 A227	R221-E225 WeakPolarHBondContact CD-OE1 3.37Å; R221-E225 HydrophobicContact CG-CG 4.31Å; R221-E225 WeakPolarHBondContact CG-OE1 3.33Å; R221-E225 WeakPolarHBondContact O-CB 3.4Å; R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 3.47Å; E225-A227 PolarHBondContact O-N 3.31Å
226	S	90.2	Very high	89.2	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.042	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-70.5	121.4	176.3	-65.5	0	0	0	0	111.6	K149 F174 H209 E222 V223 N224	K149-S226 WeakPolarHBondContact CD-O 3.43Å; K149-S226 VanDerWaalsContact CE-O 3.32Å; K149-S226 WeakPolarHBondContact CE-O 3.4Å; K149-S226 PolarHBondContact NZ-O 3.18Å; F174-S226 WeakPolarHBondContact CE1-OG 3.42Å; H209-S226 PolarHBondContact CE1-OG 3.11Å; H209-S226 PolarHBondContact ND1-OG 3.15Å; H209-S226 PolarHBondContact NE2-OG 3.02Å; E222-S226 WeakPolarHBondContact O-CB 3.42Å; E222-S226 PolarHBondContact O-N 3.47Å; E222-S226 PolarHBondContact O-OG 2.86Å; V223-S226 PolarHBondContact O-N 2.94Å; N224-S226 VanDerWaalsContact C-N 3.28Å; N224-S226 PolarHBondContact O-N 3.21Å
227	A	88.8	Confident	90.1	Very high	40 Å²	40	49.5 Å²	49.5	33%	0.331	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-86.8	146.2	177.4	0	0	0	0	0	111.6	V201 E225	V201-A227 HydrophobicContact CB-CB 4.36Å; V201-A227 HydrophobicContact CG1-CB 3.5Å; V201-A227 HydrophobicContact CG2-CB 3.96Å; E225-A227 PolarHBondContact O-N 3.31Å
228	V	91.3	Very high	90.7	Very high	13 Å²	13	42 Å²	42	8%	0.079	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-72.9	153.5	171.4	-64.1	0	0	0	0	110.8	L141 F143 A146 K149 C200 V201	L141-V228 HydrophobicContact CD2-CG1 4.05Å; L141-V228 CarbonylContact O-C 3.55Å; L141-V228 WeakPolarHBondContact O-CA 3.35Å; F143-V228 HydrophobicContact CD2-CG2 4.25Å; A146-V228 HydrophobicContact CB-CG1 3.95Å; A146-V228 HydrophobicContact CB-CG2 4.48Å; K149-V228 HydrophobicContact CD-CG1 4.17Å; C200-V228 VanDerWaalsContact CA-O 3.3Å; C200-V228 WeakPolarHBondContact CA-O 3.38Å; V201-V228 PolarHBondContact N-O 3.03Å
229	S	93.5	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.			trans	-123.4	-172	172.5	-165	0	0	0	0	110.3	L141 S142 F143 V201 E202 P203	L141-S229 PolarHBondContact O-N 3.33Å; S142-S229 CarbonylContact C-O 3.6Å; F143-S229 WeakPolarHBondContact CA-O 3.35Å; F143-S229 WeakPolarHBondContact CB-O 3.23Å; F143-S229 PolarHBondContact N-O 3.27Å; V201-S229 WeakPolarHBondContact O-CB 3.35Å; V201-S229 PolarHBondContact O-OG 3.46Å; E202-S229 VanDerWaalsContact C-OG 3.24Å; E202-S229 PolarHBondContact O-OG 2.96Å; P203-S229 WeakPolarHBondContact CA-OG 3.47Å; P203-S229 VanDerWaalsContact N-OG 3.11Å
230	G	88.3	Confident	91.6	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	21%	0.211	C	C	.	.			trans	-148.2	139.8	175.2	0	0	0	0	0	112.1	P196	P196-G230 WeakPolarHBondContact CB-O 3.14Å; P196-G230 VanDerWaalsContact CG-O 3.26Å; P196-G230 WeakPolarHBondContact CG-O 3.44Å
231	N	89.1	Confident	92.2	Very high	33 Å²	33	36.8 Å²	36.8	18%	0.176	20%	0.203	C	C	.	.			trans	-108.9	171.3	169.2	52.1	-32.9	0	0	0	109.6	D179 D233 E236	D179-N231 HydrophobicContact CB-CB 4.16Å; N231-D233 PolarHBondContact ND2-O 3.38Å; N231-D233 VanDerWaalsContact ND2-O 3.08Å; N231-E236 PolarHBondContact ND2-OE1 3.49Å; N231-E236 PolarHBondContact ND2-OE2 3.49Å; N231-E236 PolarHBondContact OD1-OE1 3.44Å
232	L	90.8	Very high	92.6	Very high	118 Å²	118	31.1 Å²	31.1	62%	0.618	18%	0.182	S	C	*	.	S	Bend	trans	-97.9	-31.7	-178.4	-74.3	-176.7	0	0	0	113.1	F185 D187	F185-L232 PolarHBondContact O-N 3.4Å; D187-L232 HydrophobicContact CB-CD1 3.98Å; D187-L232 HydrophobicContact CB-CG 4.49Å; D187-L232 VanDerWaalsContact N-CD1 3.34Å
233	D	91.9	Very high	92.9	Very high	49 Å²	49	30 Å²	30	26%	0.262	18%	0.176	S	C	.	.	S	Bend	trans	-97.5	178.6	176.4	62.1	-31.3	0	0	0	111.8	F185 N231 H271	F185-D233 VanDerWaalsContact CA-OD1 3.3Å; F185-D233 WeakPolarHBondContact CA-OD1 3.36Å; F185-D233 WeakPolarHBondContact CD1-OD2 3.41Å; N231-D233 PolarHBondContact ND2-O 3.38Å; N231-D233 VanDerWaalsContact ND2-O 3.08Å; D233-H271 IonicContact OD2-CE1 3.86Å; D233-H271 PolarHBondContact OD2-CE1 3.4Å; D233-H271 IonicContact OD2-NE2 3.3Å; D233-H271 PolarHBondContact OD2-NE2 3.44Å
234	A	91.1	Very high	93.4	Very high	73 Å²	73	30 Å²	30	60%	0.603	18%	0.176	S	C	*	.	S	Bend	trans	-99	-33.1	-170.4	0	0	0	0	0	114.8	A268	A234-A268 VanDerWaalsContact O-CB 3.28Å; A234-A268 WeakPolarHBondContact O-CB 3.42Å
235	P	95	Very high	94	Very high	41 Å²	41	24.8 Å²	24.8	27%	0.266	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	152.8	172.5	-11	27.8	0	0	0	111.1	H271	P235-H271 PolarHBondContact O-CD2 3.46Å; P235-H271 PolarHBondContact O-NE2 3.34Å
236	E	95.2	Very high	94.3	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.028	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	163.1	-176.2	-58.1	-63.3	158.8	0	0	112.6	F177 V178 N231 G238 A268 G269 H271	F177-E236 HydrophobicContact CD2-CB 4.28Å; F177-E236 HydrophobicContact CE2-CB 4.02Å; V178-E236 VanDerWaalsContact O-OE2 3.13Å; N231-E236 PolarHBondContact ND2-OE1 3.49Å; N231-E236 PolarHBondContact ND2-OE2 3.49Å; N231-E236 PolarHBondContact OD1-OE1 3.44Å; E236-G238 PolarHBondContact O-N 3.45Å; E236-A268 HydrophobicContact CG-CB 3.65Å; E236-G269 PolarHBondContact N-O 2.97Å; E236-H271 PolarHBondContact O-N 2.89Å
237	G	96	Very high	94.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.127	C	C	.	.			trans	-78	25.5	179.8	0	0	0	0	0	115.7	V178 F239 D240	V178-G237 PolarHBondContact O-N 3.34Å; G237-F239 PolarHBondContact O-N 3.49Å; G237-F239 VanDerWaalsContact O-N 3.11Å; G237-D240 PolarHBondContact O-N 3.44Å; G237-D240 VanDerWaalsContact O-N 3.15Å
238	G	96.9	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-24.1	-171	0	0	0	0	0	115.7	E236 A241 I242	E236-G238 PolarHBondContact O-N 3.45Å; G238-A241 WeakPolarHBondContact O-CB 3.31Å; G238-A241 PolarHBondContact O-N 3.36Å; G238-I242 WeakPolarHBondContact O-CG1 3.36Å; G238-I242 PolarHBondContact O-N 3.45Å
239	F	97.6	Very high	95.2	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-71.2	-33.8	177.5	-79.2	8.4	0	0	0	113	G237 A241 I242 I243 F270 H271 P306 I308 V311 L337	G237-F239 PolarHBondContact O-N 3.49Å; G237-F239 VanDerWaalsContact O-N 3.11Å; F239-A241 VanDerWaalsContact C-N 3.27Å; F239-A241 PolarHBondContact O-N 2.72Å; F239-I242 HydrophobicContact CD1-CD1 4.04Å; F239-I242 HydrophobicContact CE1-CD1 4.43Å; F239-I242 PolarHBondContact O-N 2.93Å; F239-I243 WeakPolarHBondContact O-CG1 3.28Å; F239-I243 PolarHBondContact O-N 3.04Å; F239-F270 HydrophobicContact CD1-CB 4.26Å; F239-F270 HydrophobicContact CD1-CD2 4.39Å; F239-F270 HydrophobicContact CD1-CG 4.4Å; F239-F270 HydrophobicContact CD2-CD2 4.22Å; F239-F270 HydrophobicContact CE1-CB 4.06Å; F239-F270 HydrophobicContact CE1-CD1 4.29Å; F239-F270 AromaticContact CE1-CD2 3.7Å; F239-F270 HydrophobicContact CE1-CD2 3.7Å; F239-F270 HydrophobicContact CE1-CE2 4.22Å; F239-F270 AromaticContact CE1-CG 3.74Å; F239-F270 HydrophobicContact CE1-CG 3.74Å; F239-F270 AromaticContact CE2-CD2 3.5Å; F239-F270 HydrophobicContact CE2-CD2 3.5Å; F239-F270 VanDerWaalsContact CE2-CD2 3.5Å; F239-F270 AromaticContact CE2-CE2 3.7Å; F239-F270 HydrophobicContact CE2-CE2 3.7Å; F239-F270 HydrophobicContact CE2-CG 4.36Å; F239-F270 HydrophobicContact CZ-CB 4.44Å; F239-F270 HydrophobicContact CZ-CD1 4.31Å; F239-F270 AromaticContact CZ-CD2 3.2Å; F239-F270 HydrophobicContact CZ-CD2 3.2Å; F239-F270 HydrophobicContact CZ-CE1 4.42Å; F239-F270 AromaticContact CZ-CE2 3.36Å; F239-F270 HydrophobicContact CZ-CE2 3.36Å; F239-F270 AromaticContact CZ-CG 3.73Å; F239-F270 HydrophobicContact CZ-CG 3.73Å; F239-F270 AromaticContact CZ-CZ 3.99Å; F239-F270 HydrophobicContact CZ-CZ 3.99Å; F239-H271 WeakPolarHBondContact CD2-O 3.13Å; F239-P306 HydrophobicContact CB-CB 4.24Å; F239-P306 HydrophobicContact CB-CG 4.1Å; F239-I308 HydrophobicContact CE2-CG1 3.88Å; F239-I308 HydrophobicContact CZ-CG1 4.34Å; F239-V311 HydrophobicContact CB-CG2 4.17Å; F239-V311 HydrophobicContact CD1-CG2 4.36Å; F239-V311 HydrophobicContact CD2-CG2 3.9Å; F239-V311 HydrophobicContact CE2-CG2 4.35Å; F239-V311 HydrophobicContact CG-CG2 3.89Å; F239-L337 HydrophobicContact CE1-CD2 3.97Å; F239-L337 HydrophobicContact CZ-CD1 4Å; F239-L337 HydrophobicContact CZ-CD2 3.9Å
240	D	97.6	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-44.1	170.8	-84.5	-37.1	0	0	0	109.9	K180 G237 I242 I243 Q244 N285 Y297 P306	K180-D240 IonicContact NZ-OD1 3.26Å; K180-D240 IonicContact NZ-OD2 2.74Å; K180-D240 PolarHBondContact NZ-OD2 3.42Å; G237-D240 PolarHBondContact O-N 3.44Å; G237-D240 VanDerWaalsContact O-N 3.15Å; D240-I242 PolarHBondContact O-N 3.19Å; D240-I243 PolarHBondContact O-N 3.26Å; D240-Q244 WeakPolarHBondContact O-CB 3.45Å; D240-Q244 WeakPolarHBondContact O-CG 3.49Å; D240-Q244 PolarHBondContact O-N 3.03Å; D240-N285 PolarHBondContact OD1-ND2 2.82Å; D240-N285 VanDerWaalsContact OD1-ND2 3.07Å; D240-Y297 HydrophobicContact CB-CD1 4.19Å; D240-Y297 HydrophobicContact CB-CE1 3.86Å; D240-P306 WeakPolarHBondContact OD1-CD 3.44Å
241	A	98	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-42.9	178	0	0	0	0	0	113	L138 F177 F206 G238 F239 A245	L138-A241 HydrophobicContact CD1-CB 4.26Å; L138-A241 HydrophobicContact CD2-CB 4.17Å; F177-A241 HydrophobicContact CB-CB 3.72Å; F177-A241 HydrophobicContact CD1-CB 3.72Å; F177-A241 HydrophobicContact CG-CB 3.92Å; F206-A241 HydrophobicContact CB-CB 4.11Å; F206-A241 HydrophobicContact CD2-CB 3.49Å; F206-A241 VanDerWaalsContact CD2-CB 3.49Å; F206-A241 HydrophobicContact CE2-CB 4.22Å; F206-A241 HydrophobicContact CG-CB 4.04Å; G238-A241 WeakPolarHBondContact O-CB 3.31Å; G238-A241 PolarHBondContact O-N 3.36Å; F239-A241 VanDerWaalsContact C-N 3.27Å; F239-A241 PolarHBondContact O-N 2.72Å; A241-A245 WeakPolarHBondContact O-CB 3.42Å; A241-A245 PolarHBondContact O-N 2.79Å
242	I	98	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-47.5	175.8	-67	168.4	0	0	0	110.5	L138 G238 F239 D240 A245 L246 F264 V311 M322 F324	L138-I242 HydrophobicContact CD1-CG1 3.97Å; G238-I242 WeakPolarHBondContact O-CG1 3.36Å; G238-I242 PolarHBondContact O-N 3.45Å; F239-I242 HydrophobicContact CD1-CD1 4.04Å; F239-I242 HydrophobicContact CE1-CD1 4.43Å; F239-I242 PolarHBondContact O-N 2.93Å; D240-I242 PolarHBondContact O-N 3.19Å; I242-A245 PolarHBondContact O-N 3.4Å; I242-L246 HydrophobicContact CG2-CD1 3.75Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; I242-L246 WeakPolarHBondContact O-CB 3.36Å; I242-L246 WeakPolarHBondContact O-CG 3.35Å; I242-L246 PolarHBondContact O-N 2.84Å; I242-F264 HydrophobicContact CD1-CD2 3.79Å; I242-F264 HydrophobicContact CD1-CE2 3.99Å; I242-F264 HydrophobicContact CD1-CG 4.46Å; I242-F264 HydrophobicContact CG1-CD2 3.84Å; I242-F264 HydrophobicContact CG1-CE2 4.14Å; I242-V311 HydrophobicContact CG2-CG1 4.06Å; I242-M322 HydrophobicContact CD1-CE 3.86Å; I242-M322 HydrophobicContact CG1-CE 3.97Å; I242-M322 HydrophobicContact CG2-CE 4.2Å; I242-M322 HydrophobicContact CG2-SD 4.48Å; I242-F324 HydrophobicContact CD1-CE1 4.21Å
243	I	97.8	Very high	96.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-51.7	179.3	-69.6	-59.7	0	0	0	110.6	F239 D240 A245 L246 T247 P306 V311 K314	F239-I243 WeakPolarHBondContact O-CG1 3.28Å; F239-I243 PolarHBondContact O-N 3.04Å; D240-I243 PolarHBondContact O-N 3.26Å; I243-A245 PolarHBondContact O-N 3.37Å; I243-L246 PolarHBondContact O-N 2.76Å; I243-L246 VanDerWaalsContact O-N 3.12Å; I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.43Å; I243-T247 VanDerWaalsContact O-CG2 3.27Å; I243-T247 WeakPolarHBondContact O-CG2 3.35Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.98Å; I243-P306 HydrophobicContact CB-CG 4.26Å; I243-P306 HydrophobicContact CD1-CB 4.46Å; I243-P306 HydrophobicContact CG1-CB 3.75Å; I243-P306 HydrophobicContact CG1-CG 3.5Å; I243-V311 HydrophobicContact CD1-CG2 4.21Å; I243-V311 HydrophobicContact CG1-CG2 4.36Å; I243-K314 HydrophobicContact CD1-CB 3.75Å; I243-K314 HydrophobicContact CD1-CG 4.11Å
244	Q	98.2	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-40.6	-179.3	-66.7	-55.4	-60.7	0	0	112.1	F206 D240 L246 T247 C248 S288 Y297	F206-Q244 HydrophobicContact CD1-CB 3.38Å; F206-Q244 HydrophobicContact CD1-CG 4Å; F206-Q244 HydrophobicContact CE1-CB 3.59Å; F206-Q244 HydrophobicContact CG-CB 4.2Å; D240-Q244 WeakPolarHBondContact O-CB 3.45Å; D240-Q244 WeakPolarHBondContact O-CG 3.49Å; D240-Q244 PolarHBondContact O-N 3.03Å; Q244-L246 PolarHBondContact O-N 2.95Å; Q244-T247 PolarHBondContact O-N 3.13Å; Q244-C248 WeakPolarHBondContact O-CB 3.22Å; Q244-C248 PolarHBondContact O-N 2.96Å; Q244-C248 PolarHBondContact O-SG 3.44Å; Q244-C248 VanDerWaalsContact O-SG 3.36Å; Q244-S288 PolarHBondContact NE2-O 3.29Å; Q244-Y297 HydrophobicContact CG-CD1 4.34Å; Q244-Y297 HydrophobicContact CG-CD2 3.71Å; Q244-Y297 HydrophobicContact CG-CE2 4.06Å; Q244-Y297 HydrophobicContact CG-CG 3.87Å
245	A	98.1	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-31.3	176.2	0	0	0	0	0	112.5	Y136 L138 F206 A241 I242 I243 W254 I262	Y136-A245 HydrophobicContact CD1-CB 3.89Å; Y136-A245 HydrophobicContact CE1-CB 3.73Å; L138-A245 HydrophobicContact CD1-CB 4.08Å; L138-A245 HydrophobicContact CD2-CB 4.33Å; L138-A245 HydrophobicContact CG-CB 4.49Å; F206-A245 HydrophobicContact CZ-CB 4.38Å; A241-A245 WeakPolarHBondContact O-CB 3.42Å; A241-A245 PolarHBondContact O-N 2.79Å; I242-A245 PolarHBondContact O-N 3.4Å; I243-A245 PolarHBondContact O-N 3.37Å; A245-W254 PolarHBondContact O-NE1 3.26Å; A245-I262 HydrophobicContact CB-CD1 4.09Å
246	L	96.9	Very high	96	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-86.1	-35.3	179.2	-68.3	174.8	0	0	0	113.1	I242 I243 Q244 I262 K314 I315 T318 A320	I242-L246 HydrophobicContact CG2-CD1 3.75Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; I242-L246 WeakPolarHBondContact O-CB 3.36Å; I242-L246 WeakPolarHBondContact O-CG 3.35Å; I242-L246 PolarHBondContact O-N 2.84Å; I243-L246 PolarHBondContact O-N 2.76Å; I243-L246 VanDerWaalsContact O-N 3.12Å; Q244-L246 PolarHBondContact O-N 2.95Å; L246-I262 HydrophobicContact CD2-CD1 3.43Å; L246-I262 VanDerWaalsContact CD2-CD1 3.43Å; L246-I262 HydrophobicContact CD2-CG1 4.45Å; L246-I262 HydrophobicContact CG-CD1 3.78Å; L246-K314 HydrophobicContact CB-CG 3.72Å; L246-K314 HydrophobicContact CD1-CB 4.35Å; L246-K314 HydrophobicContact CD1-CG 4.02Å; L246-I315 HydrophobicContact CD1-CB 4.42Å; L246-I315 HydrophobicContact CD1-CG1 3.59Å; L246-T318 HydrophobicContact CB-CG2 4.11Å; L246-T318 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T318 WeakPolarHBondContact O-CG2 3.42Å; L246-A320 HydrophobicContact CD2-CB 3.4Å; L246-A320 VanDerWaalsContact CD2-CB 3.4Å
247	T	96.4	Very high	95.5	Very high	29 Å²	29	28.8 Å²	28.8	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-84.7	-35.2	-174.6	56.1	0	0	0	0	113.3	I243 Q244 A249 G287 S288 K314	I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.43Å; I243-T247 VanDerWaalsContact O-CG2 3.27Å; I243-T247 WeakPolarHBondContact O-CG2 3.35Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.98Å; Q244-T247 PolarHBondContact O-N 3.13Å; T247-A249 PolarHBondContact O-N 2.92Å; T247-G287 WeakPolarHBondContact CG2-O 3.46Å; T247-S288 PolarHBondContact OG1-O 3.35Å; T247-K314 HydrophobicContact CG2-CD 3.56Å; T247-K314 VanDerWaalsContact CG2-CE 3.46Å; T247-K314 HydrophobicContact CG2-CG 4.01Å
248	C	97.7	Very high	95.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.145	C	C	.	.			trans	-81.2	59	-179.1	-61.3	0	0	0	0	111.9	Q244 D250 E251 I252 C289 L291	Q244-C248 WeakPolarHBondContact O-CB 3.22Å; Q244-C248 PolarHBondContact O-N 2.96Å; Q244-C248 PolarHBondContact O-SG 3.44Å; Q244-C248 VanDerWaalsContact O-SG 3.36Å; C248-D250 VanDerWaalsContact C-N 3.26Å; C248-D250 PolarHBondContact O-N 3.36Å; C248-E251 VanDerWaalsContact C-OE2 3.24Å; C248-E251 VanDerWaalsContact CA-OE2 3.28Å; C248-E251 WeakPolarHBondContact CA-OE2 3.26Å; C248-E251 HydrophobicContact CB-CB 4.14Å; C248-E251 HydrophobicContact CB-CG 4.49Å; C248-E251 VanDerWaalsContact CB-OE2 3.3Å; C248-E251 WeakPolarHBondContact CB-OE2 3.44Å; C248-E251 PolarHBondContact O-N 3.21Å; C248-I252 HydrophobicContact CB-CG1 4.15Å; C248-I252 WeakPolarHBondContact O-CB 3.37Å; C248-I252 VanDerWaalsContact O-CG1 3.23Å; C248-I252 WeakPolarHBondContact O-CG1 3.27Å; C248-I252 PolarHBondContact O-N 3.46Å; C248-C289 WeakPolarHBondContact CA-SG 3.41Å; C248-C289 HydrophobicContact CB-CB 3.95Å; C248-C289 WeakPolarHBondContact CB-SG 3.26Å; C248-C289 WeakPolarHBondContact SG-CA 3.4Å; C248-C289 WeakPolarHBondContact SG-CB 3.14Å; C248-C289 CovalentContact SG-SG 2.03Å; C248-C289 PolarHBondContact SG-SG 3.47Å; C248-L291 HydrophobicContact CB-CD1 3.74Å; C248-L291 HydrophobicContact CB-CG 4.29Å; C248-L291 WeakPolarHBondContact SG-CG 3.42Å
249	A	95	Very high	94.9	Very high	45 Å²	45	29.4 Å²	29.4	37%	0.372	15%	0.147	S	C	.	.	H	α-helix	trans	-59.2	-38.3	-170.6	0	0	0	0	0	113.3	T247 G253 W254	T247-A249 PolarHBondContact O-N 2.92Å; A249-G253 VanDerWaalsContact O-CA 3.31Å; A249-G253 WeakPolarHBondContact O-CA 3.42Å; A249-G253 PolarHBondContact O-N 2.7Å; A249-W254 PolarHBondContact O-N 2.77Å
250	D	95.4	Very high	94.7	Very high	124 Å²	124	30.7 Å²	30.7	66%	0.663	15%	0.153	S	C	*	.	H	α-helix	trans	-73.1	-40.2	179	-72.8	-33.7	0	0	0	111.7	R211 C248	R211-D250 PolarHBondContact NH1-O 3.25Å; R211-D250 PolarHBondContact NH2-O 3.49Å; C248-D250 VanDerWaalsContact C-N 3.26Å; C248-D250 PolarHBondContact O-N 3.36Å
251	E	96.8	Very high	94.6	Very high	79 Å²	79	30.7 Å²	30.7	37%	0.369	15%	0.153	S	C	.	.	H	α-helix	trans	-75.6	-39.8	-176.8	-61.5	72.5	-166.1	0	0	111.8	N208 R211 C248 L291	N208-E251 PolarHBondContact ND2-O 3.45Å; N208-E251 VanDerWaalsContact ND2-O 3.12Å; R211-E251 WeakPolarHBondContact CG-O 3.39Å; C248-E251 VanDerWaalsContact C-OE2 3.24Å; C248-E251 VanDerWaalsContact CA-OE2 3.28Å; C248-E251 WeakPolarHBondContact CA-OE2 3.26Å; C248-E251 HydrophobicContact CB-CB 4.14Å; C248-E251 HydrophobicContact CB-CG 4.49Å; C248-E251 VanDerWaalsContact CB-OE2 3.3Å; C248-E251 WeakPolarHBondContact CB-OE2 3.44Å; C248-E251 PolarHBondContact O-N 3.21Å; E251-L291 HydrophobicContact CB-CD1 3.92Å; E251-L291 HydrophobicContact CG-CB 4.43Å; E251-L291 HydrophobicContact CG-CD1 4.38Å
252	I	98	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-32.6	174.6	-58.6	-52.3	0	0	0	110.8	Y136 F206 N208 R211 L212 C248 W254 L291	Y136-I252 HydrophobicContact CD2-CG2 3.59Å; Y136-I252 HydrophobicContact CE1-CD1 4.31Å; Y136-I252 HydrophobicContact CE2-CD1 3.99Å; Y136-I252 HydrophobicContact CE2-CG2 3.75Å; Y136-I252 HydrophobicContact CG-CG2 4.07Å; Y136-I252 WeakPolarHBondContact OH-CD1 3.34Å; F206-I252 HydrophobicContact CZ-CD1 4.23Å; N208-I252 HydrophobicContact CB-CD1 3.84Å; R211-I252 WeakPolarHBondContact CG-O 3.35Å; L212-I252 WeakPolarHBondContact CB-O 3.36Å; L212-I252 HydrophobicContact CD1-CG2 3.98Å; L212-I252 HydrophobicContact CG-CG2 4.36Å; L212-I252 WeakPolarHBondContact CG-O 3.31Å; L212-I252 PolarHBondContact N-O 2.79Å; C248-I252 HydrophobicContact CB-CG1 4.15Å; C248-I252 WeakPolarHBondContact O-CB 3.37Å; C248-I252 VanDerWaalsContact O-CG1 3.23Å; C248-I252 WeakPolarHBondContact O-CG1 3.27Å; C248-I252 PolarHBondContact O-N 3.46Å; I252-W254 HydrophobicContact CG2-CD2 4.34Å; I252-W254 HydrophobicContact CG2-CG 4.5Å; I252-W254 HydrophobicContact CG2-CZ2 4.15Å; I252-L291 HydrophobicContact CD1-CD1 4.37Å
253	G	95.9	Very high	94.3	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	35.6	175.7	0	0	0	0	0	114.7	A249 R255	A249-G253 VanDerWaalsContact O-CA 3.31Å; A249-G253 WeakPolarHBondContact O-CA 3.42Å; A249-G253 PolarHBondContact O-N 2.7Å; G253-R255 PolarHBondContact O-N 3.33Å
254	W	95.4	Very high	94.2	Very high	27 Å²	27	30.7 Å²	30.7	10%	0.102	15%	0.153	C	C	.	.			trans	-60.7	133.3	174.2	-68.4	121	0	0	0	110.5	D134 Y136 L212 A245 A249 I252 K260 I262	D134-W254 HydrophobicContact CB-CE3 3.63Å; D134-W254 HydrophobicContact CB-CZ3 3.52Å; Y136-W254 HydrophobicContact CG-CZ2 4.4Å; L212-W254 HydrophobicContact CD1-CD2 3.69Å; L212-W254 HydrophobicContact CD1-CE3 3.39Å; L212-W254 HydrophobicContact CD1-CG 4.27Å; L212-W254 HydrophobicContact CD1-CH2 4.35Å; L212-W254 HydrophobicContact CD1-CZ3 3.76Å; A245-W254 PolarHBondContact O-NE1 3.26Å; A249-W254 PolarHBondContact O-N 2.77Å; I252-W254 HydrophobicContact CG2-CD2 4.34Å; I252-W254 HydrophobicContact CG2-CG 4.5Å; I252-W254 HydrophobicContact CG2-CZ2 4.15Å; W254-K260 HydrophobicContact CB-CD 4.38Å; W254-K260 HydrophobicContact CD2-CB 4.42Å; W254-K260 HydrophobicContact CD2-CD 4.06Å; W254-K260 HydrophobicContact CD2-CG 4.17Å; W254-K260 HydrophobicContact CE3-CB 3.7Å; W254-K260 HydrophobicContact CE3-CD 3.94Å; W254-K260 HydrophobicContact CE3-CG 3.52Å; W254-K260 HydrophobicContact CG-CD 4.25Å; W254-K260 HydrophobicContact CH2-CB 4.1Å; W254-K260 HydrophobicContact CZ3-CB 3.51Å; W254-K260 HydrophobicContact CZ3-CG 3.89Å; W254-I262 HydrophobicContact CH2-CG1 4.05Å; W254-I262 HydrophobicContact CZ2-CD1 4.21Å; W254-I262 HydrophobicContact CZ2-CG1 4Å
255	R	90.7	Very high	94	Very high	35 Å²	35	30.7 Å²	30.7	13%	0.132	15%	0.153	C	C	.	.			trans	-77.4	145.6	166.5	-66.7	177.9	-77.5	-173	0.3	110.1	P132 V133 D134 N169 G253 K257 S258 K260	P132-R255 VanDerWaalsContact CB-CZ 3.45Å; V133-R255 PolarHBondContact O-NH2 3.08Å; D134-R255 IonicContact OD1-CZ 3.97Å; D134-R255 IonicContact OD1-NE 3.39Å; D134-R255 PolarHBondContact OD1-NE 3.2Å; D134-R255 IonicContact OD1-NH2 3Å; D134-R255 PolarHBondContact OD1-NH2 2.9Å; D134-R255 WeakPolarHBondContact OD2-CB 3.46Å; D134-R255 PolarHBondContact OD2-N 2.98Å; D134-R255 IonicContact OD2-NE 2.71Å; D134-R255 PolarHBondContact OD2-NE 3.29Å; N169-R255 PolarHBondContact ND2-NH1 3.32Å; N169-R255 PolarHBondContact O-NH2 3.32Å; N169-R255 PolarHBondContact OD1-NH1 3.47Å; G253-R255 PolarHBondContact O-N 3.33Å; R255-K257 PolarHBondContact O-N 3.28Å; R255-S258 PolarHBondContact O-OG 2.91Å; R255-K260 WeakPolarHBondContact O-CE 3.44Å
256	E	85.5	Confident	93.8	Very high	175 Å²	175	30.7 Å²	30.7	82%	0.818	15%	0.153	S	C	*	.	S	Bend	trans	-57.7	-49.3	174.9	-66.7	-162.4	148	0	0	111.3	S440	E256-S440 VanDerWaalsContact O-CB 3.27Å; E256-S440 WeakPolarHBondContact O-CB 3.41Å; E256-S440 PolarHBondContact O-OG 3Å
257	K	84.7	Confident	93.7	Very high	81 Å²	81	32.3 Å²	32.3	35%	0.352	16%	0.162	S	C	.	.	S	Bend	trans	-106.6	84.5	179	-70.4	176.2	174.2	-173.9	0	112	D100 R255 S440	D100-K257 HydrophobicContact CB-CD 4.25Å; D100-K257 VanDerWaalsContact CG-CD 3.5Å; D100-K257 WeakPolarHBondContact OD1-CD 3.3Å; D100-K257 IonicContact OD1-NZ 3.36Å; D100-K257 IonicContact OD2-NZ 2.79Å; D100-K257 PolarHBondContact OD2-NZ 3.25Å; R255-K257 PolarHBondContact O-N 3.28Å; K257-S440 WeakPolarHBondContact CA-OG 3.01Å
258	S	88.3	Confident	93.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.156	C	C	.	.	S	Bend	trans	-153.1	159.2	173.9	65.8	0	0	0	0	110.7	P132 D134 R255 K260	P132-S258 WeakPolarHBondContact O-CA 3.3Å; D134-S258 PolarHBondContact OD2-OG 2.98Å; D134-S258 VanDerWaalsContact OD2-OG 3.08Å; R255-S258 PolarHBondContact O-OG 2.91Å; S258-K260 PolarHBondContact O-N 3.46Å
259	R	90.5	Very high	93.5	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.045	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	100.8	165.3	-177.6	175.5	-67.3	-81.9	4.8	107.5	Y131 P132 V133 D134 M261 L439	Y131-R259 HydrophobicContact CD1-CB 4.23Å; Y131-R259 HydrophobicContact CE1-CB 4.22Å; P132-R259 PolarHBondContact O-N 2.83Å; V133-R259 HydrophobicContact CG2-CB 4.24Å; D134-R259 PolarHBondContact N-O 3.31Å; R259-M261 HydrophobicContact CG-CG 4.03Å; R259-M261 HydrophobicContact CG-SD 4.32Å; R259-L439 HydrophobicContact CB-CD2 4.2Å
260	K	94.5	Very high	93.6	Very high	29 Å²	29	30.7 Å²	30.7	13%	0.126	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.2	178.2	-54.8	177.3	-164.1	158.1	0	109.2	W254 R255 S258 T318 A320 N321	W254-K260 HydrophobicContact CB-CD 4.38Å; W254-K260 HydrophobicContact CD2-CB 4.42Å; W254-K260 HydrophobicContact CD2-CD 4.06Å; W254-K260 HydrophobicContact CD2-CG 4.17Å; W254-K260 HydrophobicContact CE3-CB 3.7Å; W254-K260 HydrophobicContact CE3-CD 3.94Å; W254-K260 HydrophobicContact CE3-CG 3.52Å; W254-K260 HydrophobicContact CG-CD 4.25Å; W254-K260 HydrophobicContact CH2-CB 4.1Å; W254-K260 HydrophobicContact CZ3-CB 3.51Å; W254-K260 HydrophobicContact CZ3-CG 3.89Å; R255-K260 WeakPolarHBondContact O-CE 3.44Å; S258-K260 PolarHBondContact O-N 3.46Å; K260-T318 PolarHBondContact NZ-O 2.88Å; K260-A320 HydrophobicContact CB-CB 4.3Å; K260-N321 PolarHBondContact O-N 2.75Å; K260-N321 PolarHBondContact O-ND2 3.35Å
261	M	94.5	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.3	179.7	-54.2	-167.2	-53.4	0	0	110	V133 D134 L135 Y136 M163 R259 N321 Y366	V133-M261 HydrophobicContact CG1-CE 3.44Å; V133-M261 VanDerWaalsContact CG1-CE 3.44Å; V133-M261 HydrophobicContact CG1-SD 4.37Å; D134-M261 PolarHBondContact O-N 3.46Å; L135-M261 CarbonylContact C-O 3.59Å; L135-M261 WeakPolarHBondContact CA-O 3.49Å; L135-M261 HydrophobicContact CB-CE 4.26Å; L135-M261 HydrophobicContact CD1-CE 3.87Å; L135-M261 HydrophobicContact CG-CE 4.26Å; Y136-M261 PolarHBondContact N-O 3.03Å; M163-M261 HydrophobicContact CE-CE 4.07Å; R259-M261 HydrophobicContact CG-CG 4.03Å; R259-M261 HydrophobicContact CG-SD 4.32Å; M261-N321 CarbonylContact C-O 3.58Å; M261-N321 WeakPolarHBondContact CA-O 3.45Å; M261-N321 HydrophobicContact CG-CB 4.17Å; M261-Y366 HydrophobicContact CE-CD2 3.79Å; M261-Y366 HydrophobicContact CE-CE2 4.33Å; M261-Y366 HydrophobicContact SD-CD2 3.57Å; M261-Y366 VanDerWaalsContact SD-CD2 3.57Å; M261-Y366 HydrophobicContact SD-CE2 4.12Å
262	I	96.2	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.8	172.2	-62.5	-175.6	0	0	0	108.1	Y136 L138 A245 L246 W254 N321 M322 I323	Y136-I262 VanDerWaalsContact O-CA 3.3Å; Y136-I262 WeakPolarHBondContact O-CA 3.47Å; L138-I262 HydrophobicContact CB-CG2 4.21Å; L138-I262 HydrophobicContact CD1-CG2 3.55Å; L138-I262 HydrophobicContact CG-CG2 3.86Å; A245-I262 HydrophobicContact CB-CD1 4.09Å; L246-I262 HydrophobicContact CD2-CD1 3.43Å; L246-I262 VanDerWaalsContact CD2-CD1 3.43Å; L246-I262 HydrophobicContact CD2-CG1 4.45Å; L246-I262 HydrophobicContact CG-CD1 3.78Å; W254-I262 HydrophobicContact CH2-CG1 4.05Å; W254-I262 HydrophobicContact CZ2-CD1 4.21Å; W254-I262 HydrophobicContact CZ2-CG1 4Å; I262-N321 PolarHBondContact N-O 3.45Å; I262-M322 HydrophobicContact CB-CE 3.92Å; I262-M322 HydrophobicContact CB-SD 3.73Å; I262-M322 HydrophobicContact CD1-SD 4.19Å; I262-M322 HydrophobicContact CG1-SD 4.33Å; I262-M322 HydrophobicContact CG2-CE 3.74Å; I262-M322 HydrophobicContact CG2-SD 4.22Å; I262-I323 PolarHBondContact O-N 3.29Å
263	V	95	Very high	93.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.4	169.4	-178.2	0	0	0	0	106.9	L135 Y136 Y137 L138 I323 A325 V362	L135-V263 HydrophobicContact CD1-CG2 4.07Å; L135-V263 HydrophobicContact CD2-CG2 3.86Å; L135-V263 HydrophobicContact CG-CG2 4.05Å; Y136-V263 PolarHBondContact O-N 3.37Å; Y137-V263 HydrophobicContact CD2-CB 3.87Å; Y137-V263 HydrophobicContact CD2-CG1 3.92Å; Y137-V263 HydrophobicContact CE2-CB 4.12Å; Y137-V263 HydrophobicContact CE2-CG1 3.62Å; L138-V263 PolarHBondContact N-O 3Å; V263-I323 CarbonylContact C-O 3.18Å; V263-I323 WeakPolarHBondContact CA-O 3.36Å; V263-I323 HydrophobicContact CG2-CB 4.3Å; V263-I323 HydrophobicContact CG2-CD1 4.21Å; V263-A325 HydrophobicContact CG1-CB 4.31Å; V263-V362 HydrophobicContact CG1-CG2 3.99Å; V263-V362 HydrophobicContact CG2-CG1 4.36Å; V263-V362 HydrophobicContact CG2-CG2 3.75Å
264	F	95.7	Very high	93.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.3	179.1	-177.6	-85.4	0	0	0	108.9	L138 F177 I242 T266 M322 I323 F324 A325 Y334	L138-F264 HydrophobicContact CB-CD2 4.27Å; L138-F264 HydrophobicContact CD1-CD2 4.33Å; L138-F264 WeakPolarHBondContact O-CA 3.27Å; F177-F264 HydrophobicContact CD1-CE2 4.27Å; F177-F264 AromaticContact CE1-CD2 3.92Å; F177-F264 HydrophobicContact CE1-CD2 3.92Å; F177-F264 AromaticContact CE1-CE2 3.4Å; F177-F264 HydrophobicContact CE1-CE2 3.4Å; F177-F264 AromaticContact CE1-CZ 3.86Å; F177-F264 HydrophobicContact CE1-CZ 3.86Å; F177-F264 HydrophobicContact CE2-CE2 4.13Å; F177-F264 AromaticContact CE2-CZ 3.86Å; F177-F264 HydrophobicContact CE2-CZ 3.86Å; F177-F264 HydrophobicContact CZ-CD2 4.14Å; F177-F264 HydrophobicContact CZ-CE1 4.01Å; F177-F264 AromaticContact CZ-CE2 3.31Å; F177-F264 HydrophobicContact CZ-CE2 3.31Å; F177-F264 AromaticContact CZ-CZ 3.23Å; F177-F264 HydrophobicContact CZ-CZ 3.23Å; I242-F264 HydrophobicContact CD1-CD2 3.79Å; I242-F264 HydrophobicContact CD1-CE2 3.99Å; I242-F264 HydrophobicContact CD1-CG 4.46Å; I242-F264 HydrophobicContact CG1-CD2 3.84Å; I242-F264 HydrophobicContact CG1-CE2 4.14Å; F264-T266 HydrophobicContact CD1-CG2 4.14Å; F264-T266 HydrophobicContact CE1-CG2 3.47Å; F264-T266 VanDerWaalsContact CE1-CG2 3.47Å; F264-T266 HydrophobicContact CZ-CG2 4.35Å; F264-M322 HydrophobicContact CB-CE 4.37Å; F264-I323 PolarHBondContact N-O 3.02Å; F264-F324 HydrophobicContact CB-CD1 3.93Å; F264-F324 HydrophobicContact CB-CE1 4.36Å; F264-F324 AromaticContact CD1-CD1 3.79Å; F264-F324 HydrophobicContact CD1-CD1 3.79Å; F264-F324 HydrophobicContact CD1-CE1 4.36Å; F264-F324 HydrophobicContact CG-CD1 4.03Å; F264-F324 HydrophobicContact CG-CE1 4.34Å; F264-F324 CarbonylContact O-C 3.43Å; F264-A325 PolarHBondContact O-N 3.06Å; F264-Y334 HydrophobicContact CD1-CE1 4.14Å; F264-Y334 AromaticContact CE1-CE1 3.9Å; F264-Y334 HydrophobicContact CE1-CE1 3.9Å; F264-Y334 AromaticContact CE1-CZ 3.94Å; F264-Y334 WeakPolarHBondContact CE1-OH 3.46Å
265	S	93.5	Very high	93.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.8	-173.1	-169.1	0	0	0	0	111	Y137 L138 D140 A325 L351	Y137-S265 WeakPolarHBondContact OH-CB 3.38Å; Y137-S265 PolarHBondContact OH-OG 2.95Å; L138-S265 PolarHBondContact O-N 2.95Å; D140-S265 VanDerWaalsContact CB-O 3.25Å; D140-S265 WeakPolarHBondContact CB-O 3.41Å; D140-S265 PolarHBondContact N-O 2.91Å; S265-A325 VanDerWaalsContact CA-O 3.31Å; S265-A325 WeakPolarHBondContact CA-O 3.39Å; S265-L351 WeakPolarHBondContact OG-CD2 3.32Å
266	T	94.1	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	155.8	177	-177.1	0	0	0	0	111.5	D140 F264 A268 A325 V326 T327 Y334	D140-T266 PolarHBondContact OD2-OG1 3.18Å; F264-T266 HydrophobicContact CD1-CG2 4.14Å; F264-T266 HydrophobicContact CE1-CG2 3.47Å; F264-T266 VanDerWaalsContact CE1-CG2 3.47Å; F264-T266 HydrophobicContact CZ-CG2 4.35Å; T266-A268 PolarHBondContact OG1-N 3.32Å; T266-A325 PolarHBondContact N-O 2.92Å; T266-V326 HydrophobicContact CG2-CG1 3.88Å; T266-V326 VanDerWaalsContact O-CA 3.31Å; T266-V326 WeakPolarHBondContact O-CA 3.27Å; T266-T327 PolarHBondContact O-N 3.25Å; T266-Y334 HydrophobicContact CG2-CE2 4.22Å; T266-Y334 WeakPolarHBondContact CG2-OH 3.2Å
267	D	93.1	Very high	94.5	Very high	37 Å²	37	28.9 Å²	28.9	20%	0.198	14%	0.142	C	C	.	.	S	Bend	trans	-99.9	-0.1	168.7	66.6	-20.8	0	0	0	113.3	S144 M145 T327 Q330	S144-D267 WeakPolarHBondContact CB-OD2 3.19Å; S144-D267 PolarHBondContact OG-OD1 3.17Å; S144-D267 PolarHBondContact OG-OD2 2.93Å; M145-D267 HydrophobicContact SD-CB 3.68Å; M145-D267 VanDerWaalsContact SD-CG 3.55Å; M145-D267 PolarHBondContact SD-N 2.95Å; D267-T327 WeakPolarHBondContact CA-OG1 3.07Å; D267-T327 HydrophobicContact CB-CG2 3.53Å; D267-T327 PolarHBondContact O-OG1 3.03Å; D267-Q330 WeakPolarHBondContact O-CG 3.1Å; D267-Q330 PolarHBondContact O-NE2 2.96Å; D267-Q330 VanDerWaalsContact O-NE2 3.15Å
268	A	94.9	Very high	94.9	Very high	8 Å²	8	31.2 Å²	31.2	7%	0.066	16%	0.158	C	C	.	.	S	Bend	trans	-117.4	174.6	-170	0	0	0	0	0	113.7	A234 E236 T266 Y334	A234-A268 VanDerWaalsContact O-CB 3.28Å; A234-A268 WeakPolarHBondContact O-CB 3.42Å; E236-A268 HydrophobicContact CG-CB 3.65Å; T266-A268 PolarHBondContact OG1-N 3.32Å; A268-Y334 WeakPolarHBondContact O-CE2 3.35Å
269	G	96.3	Very high	95.1	Very high	11 Å²	11	32 Å²	32	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-175.7	169.5	0	0	0	0	0	111.9	E236	E236-G269 PolarHBondContact N-O 2.97Å
270	F	96.8	Very high	95.3	Very high	22 Å²	22	34 Å²	34	10%	0.096	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.3	177.2	55	-93.3	0	0	0	111.2	F239 Y272 L333 Y334 L337	F239-F270 HydrophobicContact CD1-CB 4.26Å; F239-F270 HydrophobicContact CD1-CD2 4.39Å; F239-F270 HydrophobicContact CD1-CG 4.4Å; F239-F270 HydrophobicContact CD2-CD2 4.22Å; F239-F270 HydrophobicContact CE1-CB 4.06Å; F239-F270 HydrophobicContact CE1-CD1 4.29Å; F239-F270 AromaticContact CE1-CD2 3.7Å; F239-F270 HydrophobicContact CE1-CD2 3.7Å; F239-F270 HydrophobicContact CE1-CE2 4.22Å; F239-F270 AromaticContact CE1-CG 3.74Å; F239-F270 HydrophobicContact CE1-CG 3.74Å; F239-F270 AromaticContact CE2-CD2 3.5Å; F239-F270 HydrophobicContact CE2-CD2 3.5Å; F239-F270 VanDerWaalsContact CE2-CD2 3.5Å; F239-F270 AromaticContact CE2-CE2 3.7Å; F239-F270 HydrophobicContact CE2-CE2 3.7Å; F239-F270 HydrophobicContact CE2-CG 4.36Å; F239-F270 HydrophobicContact CZ-CB 4.44Å; F239-F270 HydrophobicContact CZ-CD1 4.31Å; F239-F270 AromaticContact CZ-CD2 3.2Å; F239-F270 HydrophobicContact CZ-CD2 3.2Å; F239-F270 HydrophobicContact CZ-CE1 4.42Å; F239-F270 AromaticContact CZ-CE2 3.36Å; F239-F270 HydrophobicContact CZ-CE2 3.36Å; F239-F270 AromaticContact CZ-CG 3.73Å; F239-F270 HydrophobicContact CZ-CG 3.73Å; F239-F270 AromaticContact CZ-CZ 3.99Å; F239-F270 HydrophobicContact CZ-CZ 3.99Å; F270-Y272 HydrophobicContact CD2-CD1 4.27Å; F270-Y272 HydrophobicContact CE2-CD1 4.11Å; F270-L333 HydrophobicContact CD1-CD2 4.41Å; F270-L333 HydrophobicContact CE1-CD1 4.33Å; F270-L333 HydrophobicContact CE1-CD2 4.16Å; F270-L333 HydrophobicContact CE1-CG 3.99Å; F270-L333 HydrophobicContact CZ-CD1 4.49Å; F270-Y334 AromaticContact CD1-CE1 3.99Å; F270-Y334 HydrophobicContact CD1-CE1 3.99Å; F270-Y334 HydrophobicContact CD1-CE2 4.14Å; F270-Y334 AromaticContact CD1-CZ 3.66Å; F270-Y334 HydrophobicContact CE1-CE1 4.38Å; F270-L337 HydrophobicContact CD1-CD2 4.31Å; F270-L337 HydrophobicContact CE1-CB 4.21Å; F270-L337 HydrophobicContact CE1-CD2 3.76Å; F270-L337 HydrophobicContact CE1-CG 4.42Å; F270-L337 HydrophobicContact CZ-CB 4.19Å; F270-L337 HydrophobicContact CZ-CD1 4.1Å; F270-L337 HydrophobicContact CZ-CD2 3.99Å; F270-L337 HydrophobicContact CZ-CG 4.31Å
271	H	97.6	Very high	95.4	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	19%	0.188	C	C	.	.			trans	-75	147.9	163.1	-79.5	-55.3	0	0	0	111.9	D179 F185 D233 P235 E236 F239 D275 Y305	D179-H271 IonicContact OD1-CD2 3.48Å; D179-H271 IonicContact OD2-CD2 2.81Å; D179-H271 PolarHBondContact OD2-CD2 3.46Å; D179-H271 VanDerWaalsContact OD2-CD2 3.3Å; D179-H271 IonicContact OD2-NE2 3.54Å; D179-H271 PolarHBondContact OD2-NE2 3.29Å; F185-H271 AromaticContact CD1-CE1 3.97Å; F185-H271 AromaticContact CD1-NE2 3.52Å; F185-H271 AromaticContact CE1-CE1 3.74Å; F185-H271 AromaticContact CE1-NE2 3.72Å; D233-H271 IonicContact OD2-CE1 3.86Å; D233-H271 PolarHBondContact OD2-CE1 3.4Å; D233-H271 IonicContact OD2-NE2 3.3Å; D233-H271 PolarHBondContact OD2-NE2 3.44Å; P235-H271 PolarHBondContact O-CD2 3.46Å; P235-H271 PolarHBondContact O-NE2 3.34Å; E236-H271 PolarHBondContact O-N 2.89Å; F239-H271 WeakPolarHBondContact CD2-O 3.13Å; H271-D275 WeakPolarHBondContact CA-OD2 3.35Å; H271-D275 HydrophobicContact CB-CB 4.35Å; H271-D275 IonicContact CE1-OD2 2.85Å; H271-D275 IonicContact CG-OD2 3.22Å; H271-D275 WeakPolarHBondContact ND1-CB 3.26Å; H271-D275 IonicContact ND1-OD2 2.75Å; H271-D275 PolarHBondContact ND1-OD2 3.05Å; H271-Y305 HydrophobicContact CB-CD1 3.51Å; H271-Y305 HydrophobicContact CB-CD2 3.67Å; H271-Y305 HydrophobicContact CB-CE1 3.48Å; H271-Y305 VanDerWaalsContact CB-CE1 3.48Å; H271-Y305 HydrophobicContact CB-CE2 3.65Å; H271-Y305 HydrophobicContact CB-CG 3.59Å; H271-Y305 AromaticContact CD2-CZ 3.6Å; H271-Y305 PolarHBondContact CD2-OH 2.81Å; H271-Y305 AromaticContact CG-CE2 3.79Å; H271-Y305 AromaticContact CG-CZ 3.64Å
272	Y	96.2	Very high	95.4	Very high	114 Å²	114	38.4 Å²	38.4	45%	0.447	22%	0.219	S	C	.	.			trans	-140.6	168.1	175.9	61.1	-89.2	0	0	0	111.4	F270 G274 D275	F270-Y272 HydrophobicContact CD2-CD1 4.27Å; F270-Y272 HydrophobicContact CE2-CD1 4.11Å; Y272-G274 PolarHBondContact O-N 2.83Å; Y272-D275 PolarHBondContact N-OD2 3.12Å; Y272-D275 VanDerWaalsContact N-OD2 3.12Å; Y272-D275 WeakPolarHBondContact O-CB 3.46Å; Y272-D275 PolarHBondContact O-N 2.85Å
273	A	97	Very high	95.4	Very high	37 Å²	37	42 Å²	42	31%	0.306	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	128.3	-178.1	0	0	0	0	0	113.1	Y305 P306	A273-Y305 WeakPolarHBondContact CA-O 3.14Å; A273-Y305 WeakPolarHBondContact CB-O 3.46Å; A273-Y305 PolarHBondContact N-O 3.43Å; A273-P306 PolarHBondContact N-O 2.92Å
274	G	96.4	Very high	95.5	Very high	32 Å²	32	46.4 Å²	46.4	33%	0.33	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.9	-30.7	-173.1	0	0	0	0	0	113.2	Y272 R277 D304	Y272-G274 PolarHBondContact O-N 2.83Å; G274-R277 VanDerWaalsContact O-CB 3.28Å; G274-R277 WeakPolarHBondContact O-CB 3.39Å; G274-R277 WeakPolarHBondContact O-CG 3.37Å; G274-R277 PolarHBondContact O-N 2.86Å; G274-D304 WeakPolarHBondContact CA-OD2 3.33Å; G274-D304 PolarHBondContact N-OD2 2.86Å
275	D	96.9	Very high	95.6	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.8	-38.5	-178.2	-69	-13.7	0	0	0	111.7	F185 H271 Y272 R277 L278 Y305	F185-D275 WeakPolarHBondContact CZ-O 3.45Å; H271-D275 WeakPolarHBondContact CA-OD2 3.35Å; H271-D275 HydrophobicContact CB-CB 4.35Å; H271-D275 IonicContact CE1-OD2 2.85Å; H271-D275 IonicContact CG-OD2 3.22Å; H271-D275 WeakPolarHBondContact ND1-CB 3.26Å; H271-D275 IonicContact ND1-OD2 2.75Å; H271-D275 PolarHBondContact ND1-OD2 3.05Å; Y272-D275 PolarHBondContact N-OD2 3.12Å; Y272-D275 VanDerWaalsContact N-OD2 3.12Å; Y272-D275 WeakPolarHBondContact O-CB 3.46Å; Y272-D275 PolarHBondContact O-N 2.85Å; D275-R277 PolarHBondContact O-N 2.83Å; D275-L278 WeakPolarHBondContact O-CB 3.21Å; D275-L278 WeakPolarHBondContact O-CG 3.36Å; D275-L278 PolarHBondContact O-N 2.85Å; D275-Y305 HydrophobicContact CB-CD2 4Å; D275-Y305 HydrophobicContact CB-CE2 4.15Å
276	G	96.2	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-59.8	-20.6	178.7	0	0	0	0	0	113.6	L278 G279 G280 L281 D304	G276-L278 PolarHBondContact O-N 3.07Å; G276-G279 CarbonylContact O-C 3.57Å; G276-G279 WeakPolarHBondContact O-CA 3.02Å; G276-G279 PolarHBondContact O-N 3.46Å; G276-G280 PolarHBondContact O-N 3.43Å; G276-L281 CarbonylContact C-O 3.6Å; G276-L281 WeakPolarHBondContact O-CB 3.5Å; G276-L281 PolarHBondContact O-N 2.87Å; G276-D304 WeakPolarHBondContact CA-OD1 3.18Å; G276-D304 PolarHBondContact N-OD1 3.27Å
277	R	95.6	Very high	95.8	Very high	179 Å²	179	50.6 Å²	50.6	68%	0.675	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.7	-30	173.5	-63.5	177.1	63.2	-167.3	-1.3	112.6	G274 D275 G279 G280 L281	G274-R277 VanDerWaalsContact O-CB 3.28Å; G274-R277 WeakPolarHBondContact O-CB 3.39Å; G274-R277 WeakPolarHBondContact O-CG 3.37Å; G274-R277 PolarHBondContact O-N 2.86Å; D275-R277 PolarHBondContact O-N 2.83Å; R277-G279 PolarHBondContact O-N 2.86Å; R277-G280 PolarHBondContact O-N 2.85Å; R277-G280 VanDerWaalsContact O-N 3.13Å; R277-L281 PolarHBondContact N-O 3.06Å
278	L	93.4	Very high	95.9	Very high	129 Å²	129	51.5 Å²	51.5	68%	0.675	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.2	-31.5	175.7	-64.1	177.9	0	0	0	111.7	P184 F185 D275 G276	P184-L278 WeakPolarHBondContact CD-O 3.33Å; P184-L278 HydrophobicContact CG-CB 3.89Å; F185-L278 HydrophobicContact CZ-CB 4.45Å; D275-L278 WeakPolarHBondContact O-CB 3.21Å; D275-L278 WeakPolarHBondContact O-CG 3.36Å; D275-L278 PolarHBondContact O-N 2.85Å; G276-L278 PolarHBondContact O-N 3.07Å
279	G	92.8	Very high	96.1	Very high	17 Å²	17	53.2 Å²	53.2	18%	0.175	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-97.7	12.3	174.2	0	0	0	0	0	115.4	V182 M183 G276 R277 L281	V182-G279 WeakPolarHBondContact CG2-O 3.33Å; M183-G279 WeakPolarHBondContact O-CA 3.35Å; G276-G279 CarbonylContact O-C 3.57Å; G276-G279 WeakPolarHBondContact O-CA 3.02Å; G276-G279 PolarHBondContact O-N 3.46Å; R277-G279 PolarHBondContact O-N 2.86Å; G279-L281 VanDerWaalsContact C-N 3.34Å
280	G	95.7	Very high	96.1	Very high	55 Å²	55	54.7 Å²	54.7	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	8.3	179.8	0	0	0	0	0	115	G276 R277 V282	G276-G280 PolarHBondContact O-N 3.43Å; R277-G280 PolarHBondContact O-N 2.85Å; R277-G280 VanDerWaalsContact O-N 3.13Å; G280-V282 PolarHBondContact O-N 3.03Å
281	L	96	Very high	96.2	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	32%	0.32	C	S	.	.			trans	-86.6	94.4	178.4	-49.8	-176.5	0	0	0	109.6	K180 V182 G276 R277 G279 T301	K180-L281 HydrophobicContact CD-CD1 3.36Å; V182-L281 HydrophobicContact CG1-CD1 4.01Å; V182-L281 HydrophobicContact CG1-CG 4.38Å; G276-L281 CarbonylContact C-O 3.6Å; G276-L281 WeakPolarHBondContact O-CB 3.5Å; G276-L281 PolarHBondContact O-N 2.87Å; R277-L281 PolarHBondContact N-O 3.06Å; G279-L281 VanDerWaalsContact C-N 3.34Å; L281-T301 WeakPolarHBondContact CD2-O 3.32Å
282	V	93.8	Very high	96.2	Very high	108 Å²	108	57.4 Å²	57.4	66%	0.655	34%	0.335	S	S	*	.			trans	-102.9	-7.8	-174.4	-62.3	0	0	0	0	113.8	G280 P284	G280-V282 PolarHBondContact O-N 3.03Å; V282-P284 WeakPolarHBondContact O-CD 3.43Å
283	V	97.2	Very high	96.1	Very high	74 Å²	74	62.5 Å²	62.5	45%	0.448	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-84.6	120.7	179.3	-175.6	0	0	0	0	108.4	F303 D304	V283-F303 HydrophobicContact CB-CD1 4.06Å; V283-F303 HydrophobicContact CG1-CD1 3.66Å; V283-F303 HydrophobicContact CG1-CE1 3.81Å; V283-F303 CarbonylContact O-C 3.59Å; V283-F303 WeakPolarHBondContact O-CA 3.31Å; V283-D304 PolarHBondContact O-N 3.19Å
284	P	96.7	Very high	96	Very high	93 Å²	93	64.6 Å²	64.6	60%	0.604	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-60.7	146.6	177.6	-22.9	33.9	0	0	0	112	V282 D286	V282-P284 WeakPolarHBondContact O-CD 3.43Å; P284-D286 PolarHBondContact O-N 3.17Å
285	N	97.1	Very high	96	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-55.8	132.8	170.6	-166.7	-70.4	0	0	0	110.4	D240 G287 Y297 F303 P306 Q310	D240-N285 PolarHBondContact OD1-ND2 2.82Å; D240-N285 VanDerWaalsContact OD1-ND2 3.07Å; N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 WeakPolarHBondContact OD1-CA 3.4Å; N285-G287 PolarHBondContact OD1-N 2.85Å; N285-Y297 PolarHBondContact ND2-OH 3.02Å; N285-F303 HydrophobicContact CB-CB 4.48Å; N285-P306 HydrophobicContact CB-CG 4.19Å; N285-Q310 PolarHBondContact O-NE2 3.26Å
286	D	96.4	Very high	96	Very high	73 Å²	73	65.9 Å²	65.9	39%	0.39	37%	0.367	S	S	.	.			trans	-84.8	-6.5	-176.3	71.7	-6.1	0	0	0	114	P284 S288 H290 F303	P284-D286 PolarHBondContact O-N 3.17Å; D286-S288 VanDerWaalsContact C-N 3.25Å; D286-S288 PolarHBondContact O-N 3.5Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 3.01Å; D286-H290 VanDerWaalsContact CG-NE2 3.3Å; D286-H290 IonicContact OD1-CD2 3.81Å; D286-H290 IonicContact OD1-NE2 3.44Å; D286-H290 PolarHBondContact OD1-NE2 2.89Å; D286-H290 VanDerWaalsContact OD1-NE2 3.12Å; D286-H290 IonicContact OD2-CD2 2.66Å; D286-H290 IonicContact OD2-CE1 3.61Å; D286-H290 PolarHBondContact OD2-CE1 3.41Å; D286-H290 IonicContact OD2-NE2 3.3Å; D286-H290 PolarHBondContact OD2-NE2 2.94Å; D286-F303 HydrophobicContact CB-CE2 4.46Å; D286-F303 HydrophobicContact CB-CZ 4.44Å
287	G	95.3	Very high	96.1	Very high	13 Å²	13	66.4 Å²	66.4	13%	0.134	37%	0.369	C	S	.	.			trans	67.1	21.9	-179	0	0	0	0	0	114.4	T247 N285 K314	T247-G287 WeakPolarHBondContact CG2-O 3.46Å; N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 WeakPolarHBondContact OD1-CA 3.4Å; N285-G287 PolarHBondContact OD1-N 2.85Å; G287-K314 WeakPolarHBondContact O-CE 3.42Å; G287-K314 PolarHBondContact O-NZ 3.41Å
288	S	96.5	Very high	96.2	Very high	56 Å²	56	61 Å²	61	39%	0.392	36%	0.356	S	S	.	.	S	Bend	trans	-107.7	170.2	180	-61.2	0	0	0	0	112.5	Q244 T247 D286	Q244-S288 PolarHBondContact NE2-O 3.29Å; T247-S288 PolarHBondContact OG1-O 3.35Å; D286-S288 VanDerWaalsContact C-N 3.25Å; D286-S288 PolarHBondContact O-N 3.5Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 3.01Å
289	C	97.7	Very high	96.3	Very high	43 Å²	43	57.8 Å²	57.8	29%	0.291	34%	0.338	S	S	.	.			trans	-83.2	131.6	176	-179.7	0	0	0	0	111.3	C248	C248-C289 WeakPolarHBondContact CA-SG 3.41Å; C248-C289 HydrophobicContact CB-CB 3.95Å; C248-C289 WeakPolarHBondContact CB-SG 3.26Å; C248-C289 WeakPolarHBondContact SG-CA 3.4Å; C248-C289 WeakPolarHBondContact SG-CB 3.14Å; C248-C289 CovalentContact SG-SG 2.03Å; C248-C289 PolarHBondContact SG-SG 3.47Å
290	H	97.9	Very high	96.4	Very high	43 Å²	43	57.4 Å²	57.4	20%	0.199	33%	0.333	C	S	.	.			trans	-138	36.8	-179.3	-67.1	-73.2	0	0	0	112.5	D286 Y297 T298 M299 F303	D286-H290 VanDerWaalsContact CG-NE2 3.3Å; D286-H290 IonicContact OD1-CD2 3.81Å; D286-H290 IonicContact OD1-NE2 3.44Å; D286-H290 PolarHBondContact OD1-NE2 2.89Å; D286-H290 VanDerWaalsContact OD1-NE2 3.12Å; D286-H290 IonicContact OD2-CD2 2.66Å; D286-H290 IonicContact OD2-CE1 3.61Å; D286-H290 PolarHBondContact OD2-CE1 3.41Å; D286-H290 IonicContact OD2-NE2 3.3Å; D286-H290 PolarHBondContact OD2-NE2 2.94Å; H290-Y297 HydrophobicContact CB-CD2 3.8Å; H290-Y297 HydrophobicContact CB-CE2 3.73Å; H290-T298 PolarHBondContact O-N 3.06Å; H290-T298 PolarHBondContact O-OG1 3.46Å; H290-M299 HydrophobicContact CB-CB 4.25Å; H290-M299 HydrophobicContact CB-CG 3.87Å; H290-F303 AromaticContact CD2-CE2 3.95Å; H290-F303 AromaticContact NE2-CE2 3.66Å
291	L	97.8	Very high	96.4	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.12	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-79.7	136.9	174.7	-68.4	-176.5	0	0	0	111.8	F206 N208 C248 E251 I252 G295 Y296	F206-L291 HydrophobicContact CD1-CD2 3.73Å; F206-L291 HydrophobicContact CE1-CD1 4.12Å; F206-L291 HydrophobicContact CE1-CD2 3.8Å; F206-L291 HydrophobicContact CE1-CG 4.46Å; N208-L291 HydrophobicContact CB-CD1 4.09Å; C248-L291 HydrophobicContact CB-CD1 3.74Å; C248-L291 HydrophobicContact CB-CG 4.29Å; C248-L291 WeakPolarHBondContact SG-CG 3.42Å; E251-L291 HydrophobicContact CB-CD1 3.92Å; E251-L291 HydrophobicContact CG-CB 4.43Å; E251-L291 HydrophobicContact CG-CD1 4.38Å; I252-L291 HydrophobicContact CD1-CD1 4.37Å; L291-G295 WeakPolarHBondContact CD2-O 3.44Å; L291-Y296 WeakPolarHBondContact CA-O 3.42Å
292	D	96.8	Very high	96.4	Very high	64 Å²	64	62.2 Å²	62.2	34%	0.342	34%	0.344	S	S	.	.			trans	-79	178	165.9	74.8	9.3	0	0	0	112	S294 G295 Y296 T298	D292-S294 PolarHBondContact O-N 3.46Å; D292-S294 VanDerWaalsContact OD1-C 3.24Å; D292-S294 VanDerWaalsContact OD1-CA 3.26Å; D292-S294 WeakPolarHBondContact OD1-CA 3.4Å; D292-S294 WeakPolarHBondContact OD1-CB 3.05Å; D292-S294 PolarHBondContact OD1-N 3.49Å; D292-G295 PolarHBondContact O-N 3.37Å; D292-G295 PolarHBondContact OD1-N 3.2Å; D292-Y296 PolarHBondContact N-O 3.3Å; D292-Y296 PolarHBondContact OD1-N 3.41Å; D292-T298 HydrophobicContact CB-CG2 3.74Å
293	K	95	Very high	96.5	Very high	220 Å²	220	58.4 Å²	58.4	96%	0.957	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	178.3	-64.3	-176	-179.9	-179.8	0	114
294	S	95.1	Very high	96.5	Very high	82 Å²	82	55.6 Å²	55.6	57%	0.573	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.7	177.6	-56.5	0	0	0	0	112.1	D292	D292-S294 PolarHBondContact O-N 3.46Å; D292-S294 VanDerWaalsContact OD1-C 3.24Å; D292-S294 VanDerWaalsContact OD1-CA 3.26Å; D292-S294 WeakPolarHBondContact OD1-CA 3.4Å; D292-S294 WeakPolarHBondContact OD1-CB 3.05Å; D292-S294 PolarHBondContact OD1-N 3.49Å
295	G	96.7	Very high	96.6	Very high	7 Å²	7	51.2 Å²	51.2	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	84.7	11.3	179.3	0	0	0	0	0	114.9	K207 N208 L291 D292	K207-G295 CarbonylContact C-O 3.57Å; K207-G295 VanDerWaalsContact CA-O 3.29Å; K207-G295 WeakPolarHBondContact CA-O 3.43Å; N208-G295 PolarHBondContact N-O 2.96Å; L291-G295 WeakPolarHBondContact CD2-O 3.44Å; D292-G295 PolarHBondContact O-N 3.37Å; D292-G295 PolarHBondContact OD1-N 3.2Å
296	Y	97.4	Very high	96.6	Very high	86 Å²	86	51 Å²	51	34%	0.337	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-86.4	139.9	177.7	-75.8	-90	0	0	0	112.2	Y204 K207 L291 D292 T298	Y204-Y296 HydrophobicContact CD1-CE1 4.37Å; Y204-Y296 HydrophobicContact CG-CD1 4.41Å; Y204-Y296 HydrophobicContact CG-CE1 4.16Å; K207-Y296 HydrophobicContact CB-CD1 4.31Å; K207-Y296 HydrophobicContact CB-CE1 4.38Å; K207-Y296 HydrophobicContact CD-CD1 4.24Å; K207-Y296 HydrophobicContact CD-CD2 4.41Å; K207-Y296 HydrophobicContact CD-CE1 3.68Å; K207-Y296 HydrophobicContact CD-CE2 3.85Å; K207-Y296 VanDerWaalsContact CD-CZ 3.45Å; K207-Y296 HydrophobicContact CG-CD1 4.38Å; K207-Y296 HydrophobicContact CG-CE1 4.29Å; K207-Y296 HydrophobicContact CG-CE2 4.49Å; K207-Y296 PolarHBondContact NZ-OH 3.02Å; L291-Y296 WeakPolarHBondContact CA-O 3.42Å; D292-Y296 PolarHBondContact N-O 3.3Å; D292-Y296 PolarHBondContact OD1-N 3.41Å; Y296-T298 PolarHBondContact O-N 3.37Å
297	Y	97.8	Very high	96.6	Very high	12 Å²	12	49 Å²	49	5%	0.047	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-74	110.1	171.5	174.5	-140.3	0	0	0	111.5	F206 D240 Q244 N285 H290 M299	F206-Y297 PolarHBondContact O-N 3.4Å; D240-Y297 HydrophobicContact CB-CD1 4.19Å; D240-Y297 HydrophobicContact CB-CE1 3.86Å; Q244-Y297 HydrophobicContact CG-CD1 4.34Å; Q244-Y297 HydrophobicContact CG-CD2 3.71Å; Q244-Y297 HydrophobicContact CG-CE2 4.06Å; Q244-Y297 HydrophobicContact CG-CG 3.87Å; N285-Y297 PolarHBondContact ND2-OH 3.02Å; H290-Y297 HydrophobicContact CB-CD2 3.8Å; H290-Y297 HydrophobicContact CB-CE2 3.73Å; Y297-M299 HydrophobicContact CE2-CB 3.68Å
298	T	96.8	Very high	96.7	Very high	65 Å²	65	51 Å²	51	40%	0.399	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.9	-170.9	56.8	0	0	0	0	114.6	H290 D292 Y296	H290-T298 PolarHBondContact O-N 3.06Å; H290-T298 PolarHBondContact O-OG1 3.46Å; D292-T298 HydrophobicContact CB-CG2 3.74Å; Y296-T298 PolarHBondContact O-N 3.37Å
299	M	96.5	Very high	96.6	Very high	61 Å²	61	52.4 Å²	52.4	30%	0.3	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	15.3	-177.3	-62.1	-65.6	141.8	0	0	113.3	H290 Y297 T301 E302 F303	H290-M299 HydrophobicContact CB-CB 4.25Å; H290-M299 HydrophobicContact CB-CG 3.87Å; Y297-M299 HydrophobicContact CE2-CB 3.68Å; M299-T301 PolarHBondContact O-N 3.07Å; M299-E302 PolarHBondContact O-N 3.16Å; M299-E302 VanDerWaalsContact O-N 3.12Å; M299-E302 HydrophobicContact SD-CB 4.15Å; M299-E302 HydrophobicContact SD-CG 3.99Å; M299-F303 HydrophobicContact CB-CD2 3.55Å; M299-F303 HydrophobicContact CB-CE2 3.53Å; M299-F303 HydrophobicContact CB-CG 4.38Å; M299-F303 HydrophobicContact CB-CZ 4.34Å; M299-F303 HydrophobicContact CG-CD2 4.34Å; M299-F303 HydrophobicContact CG-CE2 3.79Å; M299-F303 HydrophobicContact CG-CZ 4.31Å; M299-F303 PolarHBondContact O-N 3.12Å; M299-F303 VanDerWaalsContact O-N 3.16Å
300	S	94.9	Very high	96.5	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.063	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.2	-177.6	-174.2	0	0	0	0	113.9	K180 G205	K180-S300 VanDerWaalsContact CD-O 3.31Å; K180-S300 WeakPolarHBondContact CD-O 3.05Å; K180-S300 WeakPolarHBondContact CG-O 3.36Å; K180-S300 PolarHBondContact NZ-O 3.18Å; G205-S300 WeakPolarHBondContact CA-OG 3.34Å; G205-S300 PolarHBondContact N-OG 3.17Å
301	T	94.4	Very high	96.4	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.35	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	10.2	-178.5	56.4	0	0	0	0	113.3	K181 L281 M299	K181-T301 HydrophobicContact CB-CG2 4.36Å; L281-T301 WeakPolarHBondContact CD2-O 3.32Å; M299-T301 PolarHBondContact O-N 3.07Å
302	E	95.7	Very high	96.2	Very high	113 Å²	113	51.2 Å²	51.2	53%	0.528	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-38.9	177.5	-63.5	-60.2	147.3	0	0	110.9	M299	M299-E302 PolarHBondContact O-N 3.16Å; M299-E302 VanDerWaalsContact O-N 3.12Å; M299-E302 HydrophobicContact SD-CB 4.15Å; M299-E302 HydrophobicContact SD-CG 3.99Å
303	F	97.3	Very high	96	Very high	29 Å²	29	53.4 Å²	53.4	13%	0.127	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-99.4	145.3	179.9	-58.7	-35	0	0	0	113	K180 V283 N285 D286 H290 M299	K180-F303 WeakPolarHBondContact CE-O 3.15Å; K180-F303 PolarHBondContact NZ-O 3.36Å; V283-F303 HydrophobicContact CB-CD1 4.06Å; V283-F303 HydrophobicContact CG1-CD1 3.66Å; V283-F303 HydrophobicContact CG1-CE1 3.81Å; V283-F303 CarbonylContact O-C 3.59Å; V283-F303 WeakPolarHBondContact O-CA 3.31Å; N285-F303 HydrophobicContact CB-CB 4.48Å; D286-F303 HydrophobicContact CB-CE2 4.46Å; D286-F303 HydrophobicContact CB-CZ 4.44Å; H290-F303 AromaticContact CD2-CE2 3.95Å; H290-F303 AromaticContact NE2-CE2 3.66Å; M299-F303 HydrophobicContact CB-CD2 3.55Å; M299-F303 HydrophobicContact CB-CE2 3.53Å; M299-F303 HydrophobicContact CB-CG 4.38Å; M299-F303 HydrophobicContact CB-CZ 4.34Å; M299-F303 HydrophobicContact CG-CD2 4.34Å; M299-F303 HydrophobicContact CG-CE2 3.79Å; M299-F303 HydrophobicContact CG-CZ 4.31Å; M299-F303 PolarHBondContact O-N 3.12Å; M299-F303 VanDerWaalsContact O-N 3.16Å
304	D	97.4	Very high	95.9	Very high	14 Å²	14	44.8 Å²	44.8	8%	0.075	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.1	164.3	163	-164.9	3.7	0	0	0	110.6	G274 G276 V283	G274-D304 WeakPolarHBondContact CA-OD2 3.33Å; G274-D304 PolarHBondContact N-OD2 2.86Å; G276-D304 WeakPolarHBondContact CA-OD1 3.18Å; G276-D304 PolarHBondContact N-OD1 3.27Å; V283-D304 PolarHBondContact O-N 3.19Å
305	Y	98	Very high	95.8	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-64.6	151.8	175.1	-59.3	-88.9	0	0	0	110.9	D179 K180 F185 H271 A273 D275	D179-Y305 WeakPolarHBondContact OD1-CE1 3.5Å; D179-Y305 VanDerWaalsContact OD1-CZ 3.3Å; D179-Y305 PolarHBondContact OD1-OH 3.36Å; D179-Y305 PolarHBondContact OD2-OH 3.49Å; K180-Y305 HydrophobicContact CD-CD1 4.39Å; K180-Y305 HydrophobicContact CD-CD2 4.34Å; K180-Y305 HydrophobicContact CD-CE1 3.76Å; K180-Y305 HydrophobicContact CD-CE2 3.71Å; K180-Y305 WeakPolarHBondContact CD-OH 3.48Å; K180-Y305 VanDerWaalsContact CE-CD1 3.49Å; K180-Y305 VanDerWaalsContact CE-CE2 3.44Å; K180-Y305 HydrophobicContact CG-CE1 3.73Å; K180-Y305 HydrophobicContact CG-CE2 4.43Å; K180-Y305 WeakPolarHBondContact CG-OH 3.35Å; F185-Y305 HydrophobicContact CE1-CE2 4.18Å; F185-Y305 HydrophobicContact CE2-CE2 4.33Å; F185-Y305 AromaticContact CZ-CE2 3.9Å; F185-Y305 HydrophobicContact CZ-CE2 3.9Å; H271-Y305 HydrophobicContact CB-CD1 3.51Å; H271-Y305 HydrophobicContact CB-CD2 3.67Å; H271-Y305 HydrophobicContact CB-CE1 3.48Å; H271-Y305 VanDerWaalsContact CB-CE1 3.48Å; H271-Y305 HydrophobicContact CB-CE2 3.65Å; H271-Y305 HydrophobicContact CB-CG 3.59Å; H271-Y305 AromaticContact CD2-CZ 3.6Å; H271-Y305 PolarHBondContact CD2-OH 2.81Å; H271-Y305 AromaticContact CG-CE2 3.79Å; H271-Y305 AromaticContact CG-CZ 3.64Å; A273-Y305 WeakPolarHBondContact CA-O 3.14Å; A273-Y305 WeakPolarHBondContact CB-O 3.46Å; A273-Y305 PolarHBondContact N-O 3.43Å; D275-Y305 HydrophobicContact CB-CD2 4Å; D275-Y305 HydrophobicContact CB-CE2 4.15Å
306	P	97.9	Very high	95.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.4	148	173.7	-23.1	34.1	0	0	0	112.3	F239 D240 I243 A273 N285 Q310 V311	F239-P306 HydrophobicContact CB-CB 4.24Å; F239-P306 HydrophobicContact CB-CG 4.1Å; D240-P306 WeakPolarHBondContact OD1-CD 3.44Å; I243-P306 HydrophobicContact CB-CG 4.26Å; I243-P306 HydrophobicContact CD1-CB 4.46Å; I243-P306 HydrophobicContact CG1-CB 3.75Å; I243-P306 HydrophobicContact CG1-CG 3.5Å; A273-P306 PolarHBondContact N-O 2.92Å; N285-P306 HydrophobicContact CB-CG 4.19Å; P306-Q310 HydrophobicContact CB-CB 4.43Å; P306-V311 HydrophobicContact CB-CG2 4.05Å
307	S	96.7	Very high	95.1	Very high	32 Å²	32	46 Å²	46	22%	0.224	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-76.4	156.6	168.3	64.2	0	0	0	0	111.1	S309 Q310 V311	S307-S309 PolarHBondContact O-N 3.26Å; S307-Q310 WeakPolarHBondContact O-CB 3.21Å; S307-Q310 PolarHBondContact O-N 2.99Å; S307-Q310 VanDerWaalsContact OG-CG 3.3Å; S307-Q310 WeakPolarHBondContact OG-CG 3.48Å; S307-Q310 PolarHBondContact OG-N 3.22Å; S307-Q310 VanDerWaalsContact OG-N 3.14Å; S307-Q310 PolarHBondContact OG-OE1 3.13Å; S307-Q310 VanDerWaalsContact OG-OE1 3.13Å; S307-V311 PolarHBondContact O-N 3.44Å
308	I	95.8	Very high	94.8	Very high	54 Å²	54	46.4 Å²	46.4	28%	0.277	24%	0.238	S	C	.	.	H	α-helix	trans	-54	-38.5	172.4	-63.2	172.7	0	0	0	110.7	F239 V311 H312 L337 A340 L341	F239-I308 HydrophobicContact CE2-CG1 3.88Å; F239-I308 HydrophobicContact CZ-CG1 4.34Å; I308-V311 PolarHBondContact O-N 2.79Å; I308-H312 WeakPolarHBondContact O-CB 3.23Å; I308-H312 PolarHBondContact O-N 2.74Å; I308-L337 HydrophobicContact CD1-CD1 4.17Å; I308-L337 HydrophobicContact CG1-CD1 4.09Å; I308-L337 HydrophobicContact CG2-CD1 3.86Å; I308-A340 HydrophobicContact CG2-CB 4.47Å; I308-L341 HydrophobicContact CG2-CD2 3.79Å
309	S	94.7	Very high	94.4	Very high	86 Å²	86	45.9 Å²	45.9	60%	0.601	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-37.8	177	-57.4	0	0	0	0	113.1	S307 H312 Q313	S307-S309 PolarHBondContact O-N 3.26Å; S309-H312 WeakPolarHBondContact O-CB 3.34Å; S309-H312 PolarHBondContact O-N 3.41Å; S309-Q313 VanDerWaalsContact O-CB 3.31Å; S309-Q313 WeakPolarHBondContact O-CB 3.4Å; S309-Q313 PolarHBondContact O-N 3.3Å
310	Q	95.2	Very high	94.3	Very high	50 Å²	50	43 Å²	43	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-43	174.9	-77.7	170.5	-54	0	0	111.5	N285 P306 S307 H312 Q313 K314	N285-Q310 PolarHBondContact O-NE2 3.26Å; P306-Q310 HydrophobicContact CB-CB 4.43Å; S307-Q310 WeakPolarHBondContact O-CB 3.21Å; S307-Q310 PolarHBondContact O-N 2.99Å; S307-Q310 VanDerWaalsContact OG-CG 3.3Å; S307-Q310 WeakPolarHBondContact OG-CG 3.48Å; S307-Q310 PolarHBondContact OG-N 3.22Å; S307-Q310 VanDerWaalsContact OG-N 3.14Å; S307-Q310 PolarHBondContact OG-OE1 3.13Å; S307-Q310 VanDerWaalsContact OG-OE1 3.13Å; Q310-H312 VanDerWaalsContact C-N 3.33Å; Q310-H312 PolarHBondContact O-N 2.91Å; Q310-Q313 PolarHBondContact O-N 2.81Å; Q310-K314 WeakPolarHBondContact O-CB 3.48Å; Q310-K314 PolarHBondContact O-N 2.83Å
311	V	95.5	Very high	94.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-46.8	173.2	173.4	0	0	0	0	110.1	F239 I242 I243 P306 S307 I308 Q313 K314 I315	F239-V311 HydrophobicContact CB-CG2 4.17Å; F239-V311 HydrophobicContact CD1-CG2 4.36Å; F239-V311 HydrophobicContact CD2-CG2 3.9Å; F239-V311 HydrophobicContact CE2-CG2 4.35Å; F239-V311 HydrophobicContact CG-CG2 3.89Å; I242-V311 HydrophobicContact CG2-CG1 4.06Å; I243-V311 HydrophobicContact CD1-CG2 4.21Å; I243-V311 HydrophobicContact CG1-CG2 4.36Å; P306-V311 HydrophobicContact CB-CG2 4.05Å; S307-V311 PolarHBondContact O-N 3.44Å; I308-V311 PolarHBondContact O-N 2.79Å; V311-Q313 PolarHBondContact O-N 3.15Å; V311-K314 PolarHBondContact O-N 2.64Å; V311-I315 HydrophobicContact CG1-CD1 3.54Å; V311-I315 HydrophobicContact CG1-CG1 4.36Å; V311-I315 WeakPolarHBondContact O-CB 3.48Å; V311-I315 WeakPolarHBondContact O-CD1 2.98Å; V311-I315 WeakPolarHBondContact O-CG1 3.45Å; V311-I315 PolarHBondContact O-N 2.04Å
312	H	93.9	Very high	94.2	Very high	32 Å²	32	39.9 Å²	39.9	15%	0.148	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-51.2	176.8	-173.5	-153.2	0	0	0	112.3	I308 S309 Q310 K314 I315 R316 L341 P342	I308-H312 WeakPolarHBondContact O-CB 3.23Å; I308-H312 PolarHBondContact O-N 2.74Å; S309-H312 WeakPolarHBondContact O-CB 3.34Å; S309-H312 PolarHBondContact O-N 3.41Å; Q310-H312 VanDerWaalsContact C-N 3.33Å; Q310-H312 PolarHBondContact O-N 2.91Å; H312-K314 PolarHBondContact O-N 3.14Å; H312-I315 PolarHBondContact O-N 3.03Å; H312-R316 WeakPolarHBondContact O-CG 3.5Å; H312-R316 PolarHBondContact O-N 3.36Å; H312-L341 HydrophobicContact CB-CD2 3.47Å; H312-L341 VanDerWaalsContact CB-CD2 3.47Å; H312-P342 PolarHBondContact NE2-O 2.95Å
313	Q	92.4	Very high	94.2	Very high	110 Å²	110	34.5 Å²	34.5	51%	0.514	17%	0.173	S	C	.	.	H	α-helix	trans	-59.7	-46.9	179.6	179.2	178.6	-4.3	0	0	110.9	S309 Q310 V311 R316 E317	S309-Q313 VanDerWaalsContact O-CB 3.31Å; S309-Q313 WeakPolarHBondContact O-CB 3.4Å; S309-Q313 PolarHBondContact O-N 3.3Å; Q310-Q313 PolarHBondContact O-N 2.81Å; V311-Q313 PolarHBondContact O-N 3.15Å; Q313-R316 WeakPolarHBondContact O-CB 3.42Å; Q313-R316 PolarHBondContact O-N 3.21Å; Q313-E317 HydrophobicContact CG-CG 4.35Å; Q313-E317 VanDerWaalsContact CG-OE1 3.26Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.49Å; Q313-E317 PolarHBondContact NE2-OE1 3.48Å; Q313-E317 WeakPolarHBondContact O-CB 3.2Å; Q313-E317 WeakPolarHBondContact O-CG 3.44Å; Q313-E317 PolarHBondContact O-N 3.02Å
314	K	94.2	Very high	94.1	Very high	39 Å²	39	33.1 Å²	33.1	17%	0.17	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-39.2	-177.8	-167.9	59.3	61.6	-170.4	0	112.6	I243 L246 T247 G287 Q310 V311 H312 R316 E317 T318	I243-K314 HydrophobicContact CD1-CB 3.75Å; I243-K314 HydrophobicContact CD1-CG 4.11Å; L246-K314 HydrophobicContact CB-CG 3.72Å; L246-K314 HydrophobicContact CD1-CB 4.35Å; L246-K314 HydrophobicContact CD1-CG 4.02Å; T247-K314 HydrophobicContact CG2-CD 3.56Å; T247-K314 VanDerWaalsContact CG2-CE 3.46Å; T247-K314 HydrophobicContact CG2-CG 4.01Å; G287-K314 WeakPolarHBondContact O-CE 3.42Å; G287-K314 PolarHBondContact O-NZ 3.41Å; Q310-K314 WeakPolarHBondContact O-CB 3.48Å; Q310-K314 PolarHBondContact O-N 2.83Å; V311-K314 PolarHBondContact O-N 2.64Å; H312-K314 PolarHBondContact O-N 3.14Å; K314-R316 VanDerWaalsContact C-N 3.31Å; K314-R316 PolarHBondContact O-N 3.28Å; K314-E317 WeakPolarHBondContact CE-OE2 2.98Å; K314-E317 IonicContact NZ-OE2 3.81Å; K314-E317 PolarHBondContact NZ-OE2 3.05Å; K314-E317 PolarHBondContact O-N 2.83Å; K314-T318 HydrophobicContact CD-CG2 4.16Å; K314-T318 HydrophobicContact CG-CG2 4.5Å; K314-T318 WeakPolarHBondContact O-CB 3.3Å; K314-T318 WeakPolarHBondContact O-CG2 3.28Å; K314-T318 PolarHBondContact O-N 3.19Å; K314-T318 PolarHBondContact O-OG1 2.58Å
315	I	93.6	Very high	93.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-41.1	173.9	-66.3	161.2	0	0	0	110.6	L246 V311 H312 T318 Q319 A320 M322 I344	L246-I315 HydrophobicContact CD1-CB 4.42Å; L246-I315 HydrophobicContact CD1-CG1 3.59Å; V311-I315 HydrophobicContact CG1-CD1 3.54Å; V311-I315 HydrophobicContact CG1-CG1 4.36Å; V311-I315 WeakPolarHBondContact O-CB 3.48Å; V311-I315 WeakPolarHBondContact O-CD1 2.98Å; V311-I315 WeakPolarHBondContact O-CG1 3.45Å; V311-I315 PolarHBondContact O-N 2.04Å; H312-I315 PolarHBondContact O-N 3.03Å; I315-T318 PolarHBondContact O-OG1 2.92Å; I315-Q319 WeakPolarHBondContact O-CA 3.32Å; I315-Q319 PolarHBondContact O-N 3.11Å; I315-A320 VanDerWaalsContact CG2-O 3.3Å; I315-A320 WeakPolarHBondContact CG2-O 3.31Å; I315-A320 PolarHBondContact O-N 2.9Å; I315-M322 HydrophobicContact CD1-CG 3.55Å; I315-M322 HydrophobicContact CD1-SD 4.11Å; I315-M322 HydrophobicContact CG1-CG 4.05Å; I315-M322 HydrophobicContact CG1-SD 4.18Å; I315-M322 HydrophobicContact CG2-CG 4.27Å; I315-I344 HydrophobicContact CB-CD1 4.28Å; I315-I344 HydrophobicContact CB-CG2 4.39Å; I315-I344 HydrophobicContact CD1-CD1 3.81Å; I315-I344 HydrophobicContact CG2-CB 4.01Å; I315-I344 HydrophobicContact CG2-CD1 3.8Å; I315-I344 HydrophobicContact CG2-CG2 3.89Å
316	R	88.9	Confident	93.8	Very high	99 Å²	99	32.4 Å²	32.4	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-64.1	-48.4	175.5	-75.7	-177.2	66.4	150	10.9	112.4	H312 Q313 K314 T318 Q319 E343 I344	H312-R316 WeakPolarHBondContact O-CG 3.5Å; H312-R316 PolarHBondContact O-N 3.36Å; Q313-R316 WeakPolarHBondContact O-CB 3.42Å; Q313-R316 PolarHBondContact O-N 3.21Å; K314-R316 VanDerWaalsContact C-N 3.31Å; K314-R316 PolarHBondContact O-N 3.28Å; R316-T318 VanDerWaalsContact C-N 3.29Å; R316-T318 PolarHBondContact O-N 3.08Å; R316-Q319 PolarHBondContact O-N 2.98Å; R316-E343 IonicContact CZ-OE2 3.23Å; R316-E343 VanDerWaalsContact CZ-OE2 3.26Å; R316-E343 IonicContact NH1-OE2 2.88Å; R316-E343 PolarHBondContact NH1-OE2 3.37Å; R316-E343 IonicContact NH2-OE2 2.69Å; R316-E343 PolarHBondContact NH2-OE2 2.83Å; R316-I344 HydrophobicContact CB-CG2 4.49Å; R316-I344 HydrophobicContact CG-CG2 3.38Å
317	E	88.7	Confident	93.5	Very high	100 Å²	100	33 Å²	33	47%	0.467	17%	0.166	S	C	.	.	H	α-helix	trans	-59.5	-40.9	-179.5	-76.5	172.5	-176.4	0	0	112	Q313 K314	Q313-E317 HydrophobicContact CG-CG 4.35Å; Q313-E317 VanDerWaalsContact CG-OE1 3.26Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.49Å; Q313-E317 PolarHBondContact NE2-OE1 3.48Å; Q313-E317 WeakPolarHBondContact O-CB 3.2Å; Q313-E317 WeakPolarHBondContact O-CG 3.44Å; Q313-E317 PolarHBondContact O-N 3.02Å; K314-E317 WeakPolarHBondContact CE-OE2 2.98Å; K314-E317 IonicContact NZ-OE2 3.81Å; K314-E317 PolarHBondContact NZ-OE2 3.05Å; K314-E317 PolarHBondContact O-N 2.83Å
318	T	91.4	Very high	93.4	Very high	21 Å²	21	36.9 Å²	36.9	13%	0.129	18%	0.181	C	C	.	.	H	α-helix	trans	-88.2	-8.4	-177.3	55.5	0	0	0	0	113.9	L246 K260 K314 I315 R316 A320	L246-T318 HydrophobicContact CB-CG2 4.11Å; L246-T318 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T318 WeakPolarHBondContact O-CG2 3.42Å; K260-T318 PolarHBondContact NZ-O 2.88Å; K314-T318 HydrophobicContact CD-CG2 4.16Å; K314-T318 HydrophobicContact CG-CG2 4.5Å; K314-T318 WeakPolarHBondContact O-CB 3.3Å; K314-T318 WeakPolarHBondContact O-CG2 3.28Å; K314-T318 PolarHBondContact O-N 3.19Å; K314-T318 PolarHBondContact O-OG1 2.58Å; I315-T318 PolarHBondContact O-OG1 2.92Å; R316-T318 VanDerWaalsContact C-N 3.29Å; R316-T318 PolarHBondContact O-N 3.08Å; T318-A320 PolarHBondContact O-N 2.79Å
319	Q	90.1	Very high	93.3	Very high	53 Å²	53	42 Å²	42	25%	0.248	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	38.7	-176.2	-60.1	159	-56.6	0	0	111.9	I315 R316 G438 L439	I315-Q319 WeakPolarHBondContact O-CA 3.32Å; I315-Q319 PolarHBondContact O-N 3.11Å; R316-Q319 PolarHBondContact O-N 2.98Å; Q319-G438 CarbonylContact O-C 3.56Å; Q319-G438 WeakPolarHBondContact O-CA 3.34Å; Q319-L439 PolarHBondContact NE2-O 2.92Å
320	A	92.9	Very high	93.3	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	18%	0.184	C	C	.	.			trans	-83.5	153.1	178.2	0	0	0	0	0	112.1	L246 K260 I315 T318	L246-A320 HydrophobicContact CD2-CB 3.4Å; L246-A320 VanDerWaalsContact CD2-CB 3.4Å; K260-A320 HydrophobicContact CB-CB 4.3Å; I315-A320 VanDerWaalsContact CG2-O 3.3Å; I315-A320 WeakPolarHBondContact CG2-O 3.31Å; I315-A320 PolarHBondContact O-N 2.9Å; T318-A320 PolarHBondContact O-N 2.79Å
321	N	93.8	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.7	173.5	-54.8	-98.7	0	0	0	108.7	K260 M261 I262 S345 I369 G438	K260-N321 PolarHBondContact O-N 2.75Å; K260-N321 PolarHBondContact O-ND2 3.35Å; M261-N321 CarbonylContact C-O 3.58Å; M261-N321 WeakPolarHBondContact CA-O 3.45Å; M261-N321 HydrophobicContact CG-CB 4.17Å; I262-N321 PolarHBondContact N-O 3.45Å; N321-S345 CarbonylContact C-O 3.6Å; N321-S345 VanDerWaalsContact CA-O 3.3Å; N321-S345 WeakPolarHBondContact CA-O 3.41Å; N321-S345 WeakPolarHBondContact OD1-CB 3.46Å; N321-S345 PolarHBondContact OD1-OG 3.13Å; N321-I369 HydrophobicContact CB-CD1 4.24Å; N321-I369 HydrophobicContact CB-CG2 4.43Å; N321-I369 VanDerWaalsContact OD1-CG2 3.27Å; N321-I369 WeakPolarHBondContact OD1-CG2 3.31Å; N321-G438 PolarHBondContact ND2-O 3.2Å
322	M	94.4	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.5	-179.7	-62.7	-57.8	-59.6	0	0	111	I242 I262 F264 I315 F324 S345 A346 S347	I242-M322 HydrophobicContact CD1-CE 3.86Å; I242-M322 HydrophobicContact CG1-CE 3.97Å; I242-M322 HydrophobicContact CG2-CE 4.2Å; I242-M322 HydrophobicContact CG2-SD 4.48Å; I262-M322 HydrophobicContact CB-CE 3.92Å; I262-M322 HydrophobicContact CB-SD 3.73Å; I262-M322 HydrophobicContact CD1-SD 4.19Å; I262-M322 HydrophobicContact CG1-SD 4.33Å; I262-M322 HydrophobicContact CG2-CE 3.74Å; I262-M322 HydrophobicContact CG2-SD 4.22Å; F264-M322 HydrophobicContact CB-CE 4.37Å; I315-M322 HydrophobicContact CD1-CG 3.55Å; I315-M322 HydrophobicContact CD1-SD 4.11Å; I315-M322 HydrophobicContact CG1-CG 4.05Å; I315-M322 HydrophobicContact CG1-SD 4.18Å; I315-M322 HydrophobicContact CG2-CG 4.27Å; M322-F324 HydrophobicContact CB-CD2 4.49Å; M322-F324 HydrophobicContact CB-CE2 3.93Å; M322-F324 HydrophobicContact CB-CZ 4.09Å; M322-F324 HydrophobicContact CE-CE1 4.12Å; M322-F324 HydrophobicContact CE-CZ 4.23Å; M322-F324 HydrophobicContact CG-CZ 4.42Å; M322-S345 PolarHBondContact N-O 3.02Å; M322-A346 HydrophobicContact CB-CB 4.12Å; M322-A346 CarbonylContact O-C 3.42Å; M322-A346 WeakPolarHBondContact O-CA 3.47Å; M322-S347 PolarHBondContact O-N 2.78Å; M322-S347 PolarHBondContact O-OG 3.12Å
323	I	94.8	Very high	93.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	104.1	169.7	-61.4	171.2	0	0	0	106.8	I262 V263 F264 A325 L361 V362 Q365 I369	I262-I323 PolarHBondContact O-N 3.29Å; V263-I323 CarbonylContact C-O 3.18Å; V263-I323 WeakPolarHBondContact CA-O 3.36Å; V263-I323 HydrophobicContact CG2-CB 4.3Å; V263-I323 HydrophobicContact CG2-CD1 4.21Å; F264-I323 PolarHBondContact N-O 3.02Å; I323-A325 PolarHBondContact O-N 2.76Å; I323-L361 HydrophobicContact CG2-CD2 3.63Å; I323-V362 HydrophobicContact CD1-CG1 4.41Å; I323-Q365 HydrophobicContact CD1-CB 3.89Å; I323-Q365 HydrophobicContact CG1-CB 3.97Å; I323-Q365 HydrophobicContact CG2-CB 4.14Å; I323-Q365 HydrophobicContact CG2-CG 3.91Å; I323-I369 HydrophobicContact CD1-CD1 4.33Å; I323-I369 HydrophobicContact CG1-CD1 4.04Å
324	F	95.7	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	101.3	172.5	-60	-74.1	0	0	0	108.6	I242 F264 M322 V326 Y334 L337 L341 A346 S347 V348 G349	I242-F324 HydrophobicContact CD1-CE1 4.21Å; F264-F324 HydrophobicContact CB-CD1 3.93Å; F264-F324 HydrophobicContact CB-CE1 4.36Å; F264-F324 AromaticContact CD1-CD1 3.79Å; F264-F324 HydrophobicContact CD1-CD1 3.79Å; F264-F324 HydrophobicContact CD1-CE1 4.36Å; F264-F324 HydrophobicContact CG-CD1 4.03Å; F264-F324 HydrophobicContact CG-CE1 4.34Å; F264-F324 CarbonylContact O-C 3.43Å; M322-F324 HydrophobicContact CB-CD2 4.49Å; M322-F324 HydrophobicContact CB-CE2 3.93Å; M322-F324 HydrophobicContact CB-CZ 4.09Å; M322-F324 HydrophobicContact CE-CE1 4.12Å; M322-F324 HydrophobicContact CE-CZ 4.23Å; M322-F324 HydrophobicContact CG-CZ 4.42Å; F324-V326 HydrophobicContact CB-CG1 4.39Å; F324-Y334 HydrophobicContact CB-CD1 3.77Å; F324-Y334 HydrophobicContact CB-CE1 4.46Å; F324-Y334 HydrophobicContact CB-CG 4.41Å; F324-Y334 AromaticContact CD1-CD1 3.55Å; F324-Y334 HydrophobicContact CD1-CD1 3.55Å; F324-Y334 AromaticContact CD1-CE1 3.64Å; F324-Y334 HydrophobicContact CD1-CE1 3.64Å; F324-Y334 HydrophobicContact CD2-CD1 4.44Å; F324-Y334 HydrophobicContact CE1-CD1 4.23Å; F324-Y334 HydrophobicContact CE1-CE1 4.17Å; F324-Y334 AromaticContact CG-CD1 3.68Å; F324-Y334 HydrophobicContact CG-CD1 3.68Å; F324-Y334 HydrophobicContact CG-CE1 4.24Å; F324-L337 HydrophobicContact CE1-CD2 4.13Å; F324-L337 HydrophobicContact CE2-CD2 4.44Å; F324-L337 HydrophobicContact CZ-CD2 3.94Å; F324-L341 HydrophobicContact CZ-CD1 4.48Å; F324-A346 HydrophobicContact CE2-CB 4.18Å; F324-S347 WeakPolarHBondContact CD2-O 3.43Å; F324-S347 PolarHBondContact N-O 2.88Å; F324-V348 HydrophobicContact CB-CG2 4.23Å; F324-V348 HydrophobicContact CD2-CG2 4.25Å; F324-V348 CarbonylContact O-C 3.41Å; F324-V348 WeakPolarHBondContact O-CA 3.27Å; F324-G349 PolarHBondContact O-N 2.76Å
325	A	94.4	Very high	93.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	101.1	174.2	0	0	0	0	0	108.3	V263 F264 S265 T266 I323 L351 L361	V263-A325 HydrophobicContact CG1-CB 4.31Å; F264-A325 PolarHBondContact O-N 3.06Å; S265-A325 VanDerWaalsContact CA-O 3.31Å; S265-A325 WeakPolarHBondContact CA-O 3.39Å; T266-A325 PolarHBondContact N-O 2.92Å; I323-A325 PolarHBondContact O-N 2.76Å; A325-L351 HydrophobicContact CB-CD1 4.39Å; A325-L361 HydrophobicContact CB-CD1 4.07Å; A325-L361 HydrophobicContact CB-CD2 3.96Å
326	V	94.7	Very high	93.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.6	-171.7	-57.4	0	0	0	0	111.9	T266 F324 Q330 Y334 V348 G349 K350 L351	T266-V326 HydrophobicContact CG2-CG1 3.88Å; T266-V326 VanDerWaalsContact O-CA 3.31Å; T266-V326 WeakPolarHBondContact O-CA 3.27Å; F324-V326 HydrophobicContact CB-CG1 4.39Å; V326-Q330 HydrophobicContact CB-CB 4.11Å; V326-Q330 HydrophobicContact CG2-CB 4.22Å; V326-Y334 HydrophobicContact CB-CD2 4.19Å; V326-Y334 HydrophobicContact CG1-CD1 4.08Å; V326-Y334 HydrophobicContact CG1-CD2 3.68Å; V326-Y334 HydrophobicContact CG1-CE1 4.18Å; V326-Y334 HydrophobicContact CG1-CE2 3.8Å; V326-Y334 HydrophobicContact CG1-CG 3.83Å; V326-Y334 HydrophobicContact CG2-CD2 4.05Å; V326-Y334 HydrophobicContact CG2-CG 4.19Å; V326-V348 HydrophobicContact CG2-CG1 4.07Å; V326-G349 PolarHBondContact N-O 3.39Å; V326-K350 CarbonylContact O-C 3.59Å; V326-K350 WeakPolarHBondContact O-CA 3.43Å; V326-L351 PolarHBondContact O-N 3.11Å
327	T	92.6	Very high	94.2	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	22%	0.22	C	C	.	.			trans	-61.2	163.5	177	59.6	0	0	0	0	111.8	T266 D267 E329 Q330 L331	T266-T327 PolarHBondContact O-N 3.25Å; D267-T327 WeakPolarHBondContact CA-OG1 3.07Å; D267-T327 HydrophobicContact CB-CG2 3.53Å; D267-T327 PolarHBondContact O-OG1 3.03Å; T327-E329 PolarHBondContact O-N 3.22Å; T327-Q330 PolarHBondContact O-N 2.89Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; T327-L331 PolarHBondContact O-N 3.22Å
328	E	93.3	Very high	94.4	Very high	114 Å²	114	47 Å²	47	53%	0.533	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.2	-176.3	-173.7	150.4	-136.2	0	0	113.3	Q330 L331 K350	E328-Q330 VanDerWaalsContact C-N 3.32Å; E328-Q330 PolarHBondContact O-N 3.37Å; E328-L331 VanDerWaalsContact O-CB 3.31Å; E328-L331 WeakPolarHBondContact O-CB 3.3Å; E328-L331 PolarHBondContact O-N 3.46Å; E328-K350 HydrophobicContact CB-CD 4.48Å; E328-K350 IonicContact OE1-NZ 2.59Å; E328-K350 PolarHBondContact OE1-NZ 2.85Å; E328-K350 WeakPolarHBondContact OE2-CE 3.23Å; E328-K350 IonicContact OE2-NZ 2.74Å; E328-K350 PolarHBondContact OE2-NZ 2.74Å
329	E	93.3	Very high	94.4	Very high	161 Å²	161	50 Å²	50	75%	0.752	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.7	-177	-57.8	-172.7	-180	0	0	111.6	T327	T327-E329 PolarHBondContact O-N 3.22Å
330	Q	95.4	Very high	94.4	Very high	41 Å²	41	50 Å²	50	19%	0.192	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9	-178.2	-53.5	-55.3	-17	0	0	114	D267 V326 T327 E328 S332 L333 Y334	D267-Q330 WeakPolarHBondContact O-CG 3.1Å; D267-Q330 PolarHBondContact O-NE2 2.96Å; D267-Q330 VanDerWaalsContact O-NE2 3.15Å; V326-Q330 HydrophobicContact CB-CB 4.11Å; V326-Q330 HydrophobicContact CG2-CB 4.22Å; T327-Q330 PolarHBondContact O-N 2.89Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; E328-Q330 VanDerWaalsContact C-N 3.32Å; E328-Q330 PolarHBondContact O-N 3.37Å; Q330-S332 PolarHBondContact O-N 3.02Å; Q330-S332 VanDerWaalsContact O-N 3.11Å; Q330-L333 WeakPolarHBondContact O-CB 3.46Å; Q330-L333 PolarHBondContact O-N 2.86Å; Q330-Y334 HydrophobicContact CB-CD2 3.99Å; Q330-Y334 HydrophobicContact CB-CE2 4.16Å; Q330-Y334 PolarHBondContact O-N 2.7Å; Q330-Y334 VanDerWaalsContact O-N 3.08Å
331	L	95.2	Very high	94.2	Very high	43 Å²	43	50.1 Å²	50.1	23%	0.225	25%	0.251	C	S	.	.	H	α-helix	trans	-51.4	-42.8	-176.8	-166	86.3	0	0	0	112.1	T327 E328 Q335 V348 K350	T327-L331 PolarHBondContact O-N 3.22Å; E328-L331 VanDerWaalsContact O-CB 3.31Å; E328-L331 WeakPolarHBondContact O-CB 3.3Å; E328-L331 PolarHBondContact O-N 3.46Å; L331-Q335 WeakPolarHBondContact O-CB 3.5Å; L331-Q335 WeakPolarHBondContact O-CG 3.41Å; L331-Q335 PolarHBondContact O-N 3.44Å; L331-V348 HydrophobicContact CD1-CG1 4.07Å; L331-K350 HydrophobicContact CD1-CB 3.97Å
332	S	97.2	Very high	93.6	Very high	71 Å²	71	53.5 Å²	53.5	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-37.7	-178.2	72.5	0	0	0	0	113	Q330 R336	Q330-S332 PolarHBondContact O-N 3.02Å; Q330-S332 VanDerWaalsContact O-N 3.11Å; S332-R336 WeakPolarHBondContact O-CG 3.48Å; S332-R336 PolarHBondContact O-N 3.39Å
333	L	97	Very high	92.7	Very high	61 Å²	61	58.6 Å²	58.6	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-68.1	-50.2	178.4	176.1	62.1	0	0	0	110.5	F270 Q330 Q335 R336 L337	F270-L333 HydrophobicContact CD1-CD2 4.41Å; F270-L333 HydrophobicContact CE1-CD1 4.33Å; F270-L333 HydrophobicContact CE1-CD2 4.16Å; F270-L333 HydrophobicContact CE1-CG 3.99Å; F270-L333 HydrophobicContact CZ-CD1 4.49Å; Q330-L333 WeakPolarHBondContact O-CB 3.46Å; Q330-L333 PolarHBondContact O-N 2.86Å; L333-Q335 VanDerWaalsContact C-N 3.33Å; L333-Q335 PolarHBondContact O-N 3.12Å; L333-R336 WeakPolarHBondContact O-CA 3.49Å; L333-R336 WeakPolarHBondContact O-CB 3.48Å; L333-R336 PolarHBondContact O-N 2.03Å; L333-R336 VanDerWaalsContact O-N 3.07Å; L333-L337 PolarHBondContact O-N 2.95Å
334	Y	97.2	Very high	92.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-29.4	-179.6	-79.8	-93.7	0	0	0	113	F264 T266 A268 F270 F324 V326 Q330 R336 L337 R338 V348	F264-Y334 HydrophobicContact CD1-CE1 4.14Å; F264-Y334 AromaticContact CE1-CE1 3.9Å; F264-Y334 HydrophobicContact CE1-CE1 3.9Å; F264-Y334 AromaticContact CE1-CZ 3.94Å; F264-Y334 WeakPolarHBondContact CE1-OH 3.46Å; T266-Y334 HydrophobicContact CG2-CE2 4.22Å; T266-Y334 WeakPolarHBondContact CG2-OH 3.2Å; A268-Y334 WeakPolarHBondContact O-CE2 3.35Å; F270-Y334 AromaticContact CD1-CE1 3.99Å; F270-Y334 HydrophobicContact CD1-CE1 3.99Å; F270-Y334 HydrophobicContact CD1-CE2 4.14Å; F270-Y334 AromaticContact CD1-CZ 3.66Å; F270-Y334 HydrophobicContact CE1-CE1 4.38Å; F324-Y334 HydrophobicContact CB-CD1 3.77Å; F324-Y334 HydrophobicContact CB-CE1 4.46Å; F324-Y334 HydrophobicContact CB-CG 4.41Å; F324-Y334 AromaticContact CD1-CD1 3.55Å; F324-Y334 HydrophobicContact CD1-CD1 3.55Å; F324-Y334 AromaticContact CD1-CE1 3.64Å; F324-Y334 HydrophobicContact CD1-CE1 3.64Å; F324-Y334 HydrophobicContact CD2-CD1 4.44Å; F324-Y334 HydrophobicContact CE1-CD1 4.23Å; F324-Y334 HydrophobicContact CE1-CE1 4.17Å; F324-Y334 AromaticContact CG-CD1 3.68Å; F324-Y334 HydrophobicContact CG-CD1 3.68Å; F324-Y334 HydrophobicContact CG-CE1 4.24Å; V326-Y334 HydrophobicContact CB-CD2 4.19Å; V326-Y334 HydrophobicContact CG1-CD1 4.08Å; V326-Y334 HydrophobicContact CG1-CD2 3.68Å; V326-Y334 HydrophobicContact CG1-CE1 4.18Å; V326-Y334 HydrophobicContact CG1-CE2 3.8Å; V326-Y334 HydrophobicContact CG1-CG 3.83Å; V326-Y334 HydrophobicContact CG2-CD2 4.05Å; V326-Y334 HydrophobicContact CG2-CG 4.19Å; Q330-Y334 HydrophobicContact CB-CD2 3.99Å; Q330-Y334 HydrophobicContact CB-CE2 4.16Å; Q330-Y334 PolarHBondContact O-N 2.7Å; Q330-Y334 VanDerWaalsContact O-N 3.08Å; Y334-R336 VanDerWaalsContact C-N 3.29Å; Y334-R336 PolarHBondContact O-N 3.03Å; Y334-L337 HydrophobicContact CD1-CD2 4.05Å; Y334-L337 HydrophobicContact CE1-CD2 4.21Å; Y334-L337 PolarHBondContact O-N 3.32Å; Y334-R338 WeakPolarHBondContact O-CB 3.46Å; Y334-R338 PolarHBondContact O-N 3.45Å; Y334-V348 WeakPolarHBondContact O-CG2 3.33Å
335	Q	95.5	Very high	91.4	Very high	92 Å²	92	60.7 Å²	60.7	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-35.8	169.3	-79.2	-178.3	13.1	0	0	112.4	L331 L333 S339 V348	L331-Q335 WeakPolarHBondContact O-CB 3.5Å; L331-Q335 WeakPolarHBondContact O-CG 3.41Å; L331-Q335 PolarHBondContact O-N 3.44Å; L333-Q335 VanDerWaalsContact C-N 3.33Å; L333-Q335 PolarHBondContact O-N 3.12Å; Q335-S339 PolarHBondContact O-N 3.31Å; Q335-S339 VanDerWaalsContact O-N 3.1Å; Q335-S339 PolarHBondContact O-OG 3.36Å; Q335-V348 HydrophobicContact CG-CB 4.37Å; Q335-V348 HydrophobicContact CG-CG1 4.35Å
336	R	95.8	Very high	91.1	Very high	188 Å²	188	61.4 Å²	61.4	71%	0.709	32%	0.316	S	S	*	.	H	α-helix	trans	-68.9	-43.8	172.5	-69	175.5	-174.4	-176.5	4	111.2	S332 L333 Y334 R338 S339 A340	S332-R336 WeakPolarHBondContact O-CG 3.48Å; S332-R336 PolarHBondContact O-N 3.39Å; L333-R336 WeakPolarHBondContact O-CA 3.49Å; L333-R336 WeakPolarHBondContact O-CB 3.48Å; L333-R336 PolarHBondContact O-N 2.03Å; L333-R336 VanDerWaalsContact O-N 3.07Å; Y334-R336 VanDerWaalsContact C-N 3.29Å; Y334-R336 PolarHBondContact O-N 3.03Å; R336-R338 PolarHBondContact O-N 2.77Å; R336-S339 WeakPolarHBondContact O-CB 3.23Å; R336-S339 PolarHBondContact O-N 3.48Å; R336-S339 VanDerWaalsContact O-N 3.08Å; R336-A340 PolarHBondContact O-N 3.48Å
337	L	95.8	Very high	90.9	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-50.6	174	177.6	61.9	0	0	0	111	F239 F270 I308 F324 L333 Y334 S339 A340 L341	F239-L337 HydrophobicContact CE1-CD2 3.97Å; F239-L337 HydrophobicContact CZ-CD1 4Å; F239-L337 HydrophobicContact CZ-CD2 3.9Å; F270-L337 HydrophobicContact CD1-CD2 4.31Å; F270-L337 HydrophobicContact CE1-CB 4.21Å; F270-L337 HydrophobicContact CE1-CD2 3.76Å; F270-L337 HydrophobicContact CE1-CG 4.42Å; F270-L337 HydrophobicContact CZ-CB 4.19Å; F270-L337 HydrophobicContact CZ-CD1 4.1Å; F270-L337 HydrophobicContact CZ-CD2 3.99Å; F270-L337 HydrophobicContact CZ-CG 4.31Å; I308-L337 HydrophobicContact CD1-CD1 4.17Å; I308-L337 HydrophobicContact CG1-CD1 4.09Å; I308-L337 HydrophobicContact CG2-CD1 3.86Å; F324-L337 HydrophobicContact CE1-CD2 4.13Å; F324-L337 HydrophobicContact CE2-CD2 4.44Å; F324-L337 HydrophobicContact CZ-CD2 3.94Å; L333-L337 PolarHBondContact O-N 2.95Å; Y334-L337 HydrophobicContact CD1-CD2 4.05Å; Y334-L337 HydrophobicContact CE1-CD2 4.21Å; Y334-L337 PolarHBondContact O-N 3.32Å; L337-S339 PolarHBondContact O-N 3.39Å; L337-A340 CarbonylContact O-C 3.57Å; L337-A340 WeakPolarHBondContact O-CA 3.36Å; L337-A340 WeakPolarHBondContact O-CB 3.46Å; L337-A340 PolarHBondContact O-N 3.35Å; L337-L341 HydrophobicContact CD1-CD1 4.06Å; L337-L341 HydrophobicContact CD1-CG 4.3Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 2.71Å
338	R	92.8	Very high	91	Very high	122 Å²	122	62.4 Å²	62.4	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-54	-40.6	175.3	-171.2	-161.8	74.5	144.1	-0.5	112	Y334 R336 A340 L341 A346 V348	Y334-R338 WeakPolarHBondContact O-CB 3.46Å; Y334-R338 PolarHBondContact O-N 3.45Å; R336-R338 PolarHBondContact O-N 2.77Å; R338-A340 VanDerWaalsContact C-N 3.28Å; R338-A340 PolarHBondContact O-N 2.91Å; R338-L341 PolarHBondContact O-N 2.87Å; R338-A346 WeakPolarHBondContact CD-O 3.49Å; R338-A346 HydrophobicContact CG-CB 4.06Å; R338-V348 HydrophobicContact CB-CG2 3.89Å; R338-V348 HydrophobicContact CG-CG2 4.4Å
339	S	91.3	Very high	90.9	Very high	85 Å²	85	57.2 Å²	57.2	59%	0.594	30%	0.299	S	S	*	.	H	α-helix	trans	-70.3	-26.1	178.9	-54.6	0	0	0	0	112.7	Q335 R336 L337 L341	Q335-S339 PolarHBondContact O-N 3.31Å; Q335-S339 VanDerWaalsContact O-N 3.1Å; Q335-S339 PolarHBondContact O-OG 3.36Å; R336-S339 WeakPolarHBondContact O-CB 3.23Å; R336-S339 PolarHBondContact O-N 3.48Å; R336-S339 VanDerWaalsContact O-N 3.08Å; L337-S339 PolarHBondContact O-N 3.39Å; S339-L341 VanDerWaalsContact C-N 3.3Å
340	A	90.6	Very high	91	Very high	53 Å²	53	53.8 Å²	53.8	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-81.7	-5.8	173.2	0	0	0	0	0	113.6	I308 R336 L337 R338 P342	I308-A340 HydrophobicContact CG2-CB 4.47Å; R336-A340 PolarHBondContact O-N 3.48Å; L337-A340 CarbonylContact O-C 3.57Å; L337-A340 WeakPolarHBondContact O-CA 3.36Å; L337-A340 WeakPolarHBondContact O-CB 3.46Å; L337-A340 PolarHBondContact O-N 3.35Å; R338-A340 VanDerWaalsContact C-N 3.28Å; R338-A340 PolarHBondContact O-N 2.91Å; A340-P342 WeakPolarHBondContact O-CD 3.2Å
341	L	87.8	Confident	90.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.273	C	S	.	.	S	Bend	trans	-113.6	69.2	178	-58.4	173.6	0	0	0	110.3	I308 H312 F324 L337 R338 S339 I344	I308-L341 HydrophobicContact CG2-CD2 3.79Å; H312-L341 HydrophobicContact CB-CD2 3.47Å; H312-L341 VanDerWaalsContact CB-CD2 3.47Å; F324-L341 HydrophobicContact CZ-CD1 4.48Å; L337-L341 HydrophobicContact CD1-CD1 4.06Å; L337-L341 HydrophobicContact CD1-CG 4.3Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 2.71Å; R338-L341 PolarHBondContact O-N 2.87Å; S339-L341 VanDerWaalsContact C-N 3.3Å; L341-I344 HydrophobicContact CB-CD1 3.55Å; L341-I344 HydrophobicContact CB-CG1 3.73Å; L341-I344 HydrophobicContact CD1-CD1 3.86Å; L341-I344 HydrophobicContact CG-CD1 4.2Å; L341-I344 VanDerWaalsContact O-CG1 3.27Å; L341-I344 WeakPolarHBondContact O-CG1 3.41Å
342	P	80.9	Confident	90.2	Very high	71 Å²	71	51 Å²	51	46%	0.461	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	160.6	179	31	-36.2	0	0	0	111	H312 A340 I344	H312-P342 PolarHBondContact NE2-O 2.95Å; A340-P342 WeakPolarHBondContact O-CD 3.2Å; P342-I344 PolarHBondContact O-N 2.83Å
343	E	75.7	Confident	89.4	Confident	106 Å²	106	53 Å²	53	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-12.2	173.6	-55	168.8	-178.8	0	0	116.3	R316 V376 S437	R316-E343 IonicContact CZ-OE2 3.23Å; R316-E343 VanDerWaalsContact CZ-OE2 3.26Å; R316-E343 IonicContact NH1-OE2 2.88Å; R316-E343 PolarHBondContact NH1-OE2 3.37Å; R316-E343 IonicContact NH2-OE2 2.69Å; R316-E343 PolarHBondContact NH2-OE2 2.83Å; E343-V376 HydrophobicContact CB-CG1 4.37Å; E343-S437 PolarHBondContact O-OG 2.85Å
344	I	82	Confident	88.4	Confident	20 Å²	20	52.4 Å²	52.4	10%	0.103	28%	0.275	C	S	.	.	S	Bend	trans	-92	154	170.6	64.5	158	0	0	0	111.7	I315 R316 L341 P342 A346	I315-I344 HydrophobicContact CB-CD1 4.28Å; I315-I344 HydrophobicContact CB-CG2 4.39Å; I315-I344 HydrophobicContact CD1-CD1 3.81Å; I315-I344 HydrophobicContact CG2-CB 4.01Å; I315-I344 HydrophobicContact CG2-CD1 3.8Å; I315-I344 HydrophobicContact CG2-CG2 3.89Å; R316-I344 HydrophobicContact CB-CG2 4.49Å; R316-I344 HydrophobicContact CG-CG2 3.38Å; L341-I344 HydrophobicContact CB-CD1 3.55Å; L341-I344 HydrophobicContact CB-CG1 3.73Å; L341-I344 HydrophobicContact CD1-CD1 3.86Å; L341-I344 HydrophobicContact CG-CD1 4.2Å; L341-I344 VanDerWaalsContact O-CG1 3.27Å; L341-I344 WeakPolarHBondContact O-CG1 3.41Å; P342-I344 PolarHBondContact O-N 2.83Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 HydrophobicContact CD1-CB 3.83Å; I344-A346 HydrophobicContact CG1-CB 4.1Å; I344-A346 PolarHBondContact O-N 3.14Å
345	S	80.4	Confident	87.5	Confident	24 Å²	24	52.4 Å²	52.4	17%	0.168	28%	0.275	C	S	.	.			trans	-82.5	78.3	174.1	-170.7	0	0	0	0	110	N321 M322 I369	N321-S345 CarbonylContact C-O 3.6Å; N321-S345 VanDerWaalsContact CA-O 3.3Å; N321-S345 WeakPolarHBondContact CA-O 3.41Å; N321-S345 WeakPolarHBondContact OD1-CB 3.46Å; N321-S345 PolarHBondContact OD1-OG 3.13Å; M322-S345 PolarHBondContact N-O 3.02Å; S345-I369 WeakPolarHBondContact OG-CG2 3.3Å
346	A	88.5	Confident	86.8	Confident	16 Å²	16	50.9 Å²	50.9	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.5	175.3	0	0	0	0	0	111.5	M322 F324 R338 I344	M322-A346 HydrophobicContact CB-CB 4.12Å; M322-A346 CarbonylContact O-C 3.42Å; M322-A346 WeakPolarHBondContact O-CA 3.47Å; F324-A346 HydrophobicContact CE2-CB 4.18Å; R338-A346 WeakPolarHBondContact CD-O 3.49Å; R338-A346 HydrophobicContact CG-CB 4.06Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 HydrophobicContact CD1-CB 3.83Å; I344-A346 HydrophobicContact CG1-CB 4.1Å; I344-A346 PolarHBondContact O-N 3.14Å
347	S	91.1	Very high	86.4	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.3	177.9	64	0	0	0	0	110.7	M322 F324 Q365	M322-S347 PolarHBondContact O-N 2.78Å; M322-S347 PolarHBondContact O-OG 3.12Å; F324-S347 WeakPolarHBondContact CD2-O 3.43Å; F324-S347 PolarHBondContact N-O 2.88Å; S347-Q365 WeakPolarHBondContact OG-CG 3.23Å
348	V	93.5	Very high	85.9	Confident	23 Å²	23	44.1 Å²	44.1	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.9	177.5	-176.4	0	0	0	0	107	F324 V326 L331 Y334 Q335 R338	F324-V348 HydrophobicContact CB-CG2 4.23Å; F324-V348 HydrophobicContact CD2-CG2 4.25Å; F324-V348 CarbonylContact O-C 3.41Å; F324-V348 WeakPolarHBondContact O-CA 3.27Å; V326-V348 HydrophobicContact CG2-CG1 4.07Å; L331-V348 HydrophobicContact CD1-CG1 4.07Å; Y334-V348 WeakPolarHBondContact O-CG2 3.33Å; Q335-V348 HydrophobicContact CG-CB 4.37Å; Q335-V348 HydrophobicContact CG-CG1 4.35Å; R338-V348 HydrophobicContact CB-CG2 3.89Å; R338-V348 HydrophobicContact CG-CG2 4.4Å
349	G	92.9	Very high	85.4	Confident	5 Å²	5	38.4 Å²	38.4	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.6	176.1	0	0	0	0	0	110.5	F324 V326 L351 L361	F324-G349 PolarHBondContact O-N 2.76Å; V326-G349 PolarHBondContact N-O 3.39Å; G349-L351 PolarHBondContact O-N 3.23Å; G349-L361 VanDerWaalsContact C-CD1 3.5Å
350	K	93.8	Very high	85.3	Confident	89 Å²	89	38.5 Å²	38.5	39%	0.387	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	109.3	173.6	179.4	-178	171.4	169.8	0	109	V326 E328 L331 N357 L361	V326-K350 CarbonylContact O-C 3.59Å; V326-K350 WeakPolarHBondContact O-CA 3.43Å; E328-K350 HydrophobicContact CB-CD 4.48Å; E328-K350 IonicContact OE1-NZ 2.59Å; E328-K350 PolarHBondContact OE1-NZ 2.85Å; E328-K350 WeakPolarHBondContact OE2-CE 3.23Å; E328-K350 IonicContact OE2-NZ 2.74Å; E328-K350 PolarHBondContact OE2-NZ 2.74Å; L331-K350 HydrophobicContact CD1-CB 3.97Å; K350-N357 PolarHBondContact O-ND2 3.47Å; K350-L361 WeakPolarHBondContact O-CD1 3.49Å
351	L	88.6	Confident	85.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.			trans	-77.1	132.7	168.9	-166.4	62	0	0	0	108.4	S265 A325 V326 G349 S355 V358	S265-L351 WeakPolarHBondContact OG-CD2 3.32Å; A325-L351 HydrophobicContact CB-CD1 4.39Å; V326-L351 PolarHBondContact O-N 3.11Å; G349-L351 PolarHBondContact O-N 3.23Å; L351-S355 WeakPolarHBondContact CD2-OG 3.47Å; L351-V358 HydrophobicContact CD1-CB 3.79Å; L351-V358 HydrophobicContact CD1-CG2 3.95Å
352	A	86.5	Confident	85.2	Confident	26 Å²	26	36 Å²	36	22%	0.215	20%	0.201	C	C	.	.			trans	-62.7	151.3	167.5	0	0	0	0	0	109	D354 S355 N357	A352-D354 VanDerWaalsContact CB-OD1 3.28Å; A352-D354 WeakPolarHBondContact CB-OD1 3.49Å; A352-D354 PolarHBondContact O-N 3.07Å; A352-S355 PolarHBondContact O-N 3.4Å; A352-N357 WeakPolarHBondContact CB-OD1 3.3Å; A352-N357 PolarHBondContact N-OD1 2.83Å
353	N	79.7	Confident	85.5	Confident	112 Å²	112	35.3 Å²	35.3	60%	0.599	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.3	-180	-66.5	6.2	0	0	0	113.9
354	D	75.5	Confident	86.1	Confident	49 Å²	49	35.3 Å²	35.3	26%	0.262	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	11.7	176.7	70.8	-13	0	0	0	112.1	D148 K151 A352 S356	D148-D354 WeakPolarHBondContact OD1-CA 3.4Å; K151-D354 HydrophobicContact CD-CB 3.85Å; K151-D354 WeakPolarHBondContact CD-O 3.44Å; K151-D354 VanDerWaalsContact NZ-CB 3.28Å; K151-D354 VanDerWaalsContact NZ-CG 3.27Å; K151-D354 IonicContact NZ-OD2 2.77Å; K151-D354 PolarHBondContact NZ-OD2 2.93Å; A352-D354 VanDerWaalsContact CB-OD1 3.28Å; A352-D354 WeakPolarHBondContact CB-OD1 3.49Å; A352-D354 PolarHBondContact O-N 3.07Å; D354-S356 PolarHBondContact O-N 2.74Å; D354-S356 WeakPolarHBondContact OD1-CB 3.26Å; D354-S356 PolarHBondContact OD1-N 2.79Å; D354-S356 PolarHBondContact OD1-OG 2.85Å; D354-S356 PolarHBondContact OD2-OG 2.96Å
355	S	78.9	Confident	86.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.			trans	56.7	13.4	-177.3	-65.9	0	0	0	0	116.2	D148 L155 L351 A352 N357 V358	D148-S355 WeakPolarHBondContact CB-OG 3.46Å; D148-S355 WeakPolarHBondContact OD1-CB 3.46Å; D148-S355 PolarHBondContact OD1-N 2.9Å; D148-S355 PolarHBondContact OD1-OG 2.92Å; L155-S355 VanDerWaalsContact CD1-O 3.23Å; L155-S355 WeakPolarHBondContact CD1-O 3.41Å; L351-S355 WeakPolarHBondContact CD2-OG 3.47Å; A352-S355 PolarHBondContact O-N 3.4Å; S355-N357 PolarHBondContact O-N 2.98Å; S355-N357 VanDerWaalsContact O-N 3.1Å; S355-V358 PolarHBondContact O-N 3.19Å; S355-V358 VanDerWaalsContact O-N 3.13Å
356	S	80.9	Confident	86.7	Confident	59 Å²	59	34.3 Å²	34.3	41%	0.413	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.9	-173.2	54.6	0	0	0	0	114.7	D354	D354-S356 PolarHBondContact O-N 2.74Å; D354-S356 WeakPolarHBondContact OD1-CB 3.26Å; D354-S356 PolarHBondContact OD1-N 2.79Å; D354-S356 PolarHBondContact OD1-OG 2.85Å; D354-S356 PolarHBondContact OD2-OG 2.96Å
357	N	88.1	Confident	86.6	Confident	50 Å²	50	36 Å²	36	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	10	-178.2	73.2	-36.7	0	0	0	114.1	K350 A352 S355 V359 E360 L361	K350-N357 PolarHBondContact O-ND2 3.47Å; A352-N357 WeakPolarHBondContact CB-OD1 3.3Å; A352-N357 PolarHBondContact N-OD1 2.83Å; S355-N357 PolarHBondContact O-N 2.98Å; S355-N357 VanDerWaalsContact O-N 3.1Å; N357-V359 VanDerWaalsContact C-N 3.25Å; N357-V359 PolarHBondContact O-N 2.79Å; N357-E360 WeakPolarHBondContact CA-OE2 3.3Å; N357-E360 PolarHBondContact O-N 3.25Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.42Å; N357-L361 PolarHBondContact O-N 3Å
358	V	84.1	Confident	86.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-33.6	-173.2	76.2	0	0	0	0	112.3	Y137 L152 L155 L351 S355 L361 V362	Y137-V358 HydrophobicContact CE2-CG2 4.11Å; L152-V358 HydrophobicContact CD2-CG1 3.93Å; L155-V358 HydrophobicContact CB-CG1 4.05Å; L155-V358 HydrophobicContact CD1-CG1 3.56Å; L155-V358 HydrophobicContact CD2-CG1 4.04Å; L155-V358 HydrophobicContact CG-CG1 4.06Å; L351-V358 HydrophobicContact CD1-CB 3.79Å; L351-V358 HydrophobicContact CD1-CG2 3.95Å; S355-V358 PolarHBondContact O-N 3.19Å; S355-V358 VanDerWaalsContact O-N 3.13Å; V358-L361 WeakPolarHBondContact O-CB 3.32Å; V358-L361 PolarHBondContact O-N 2.93Å; V358-V362 HydrophobicContact CG2-CG2 4.26Å; V358-V362 WeakPolarHBondContact O-CB 3.1Å; V358-V362 VanDerWaalsContact O-CG2 3.25Å; V358-V362 WeakPolarHBondContact O-CG2 3.13Å; V358-V362 PolarHBondContact O-N 3.48Å
359	V	83.6	Confident	85.8	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-46.3	-178.2	177.4	0	0	0	0	110.4	L155 L158 L159 R162 N357 L361 V362 Q363	L155-V359 HydrophobicContact CB-CG2 4.12Å; L155-V359 HydrophobicContact CD2-CG2 3.68Å; L158-V359 HydrophobicContact CB-CG2 4.4Å; L158-V359 HydrophobicContact CD2-CB 4.39Å; L158-V359 HydrophobicContact CD2-CG1 4.45Å; L158-V359 HydrophobicContact CD2-CG2 4.2Å; L158-V359 HydrophobicContact CG-CG1 4.21Å; L158-V359 HydrophobicContact CG-CG2 4.29Å; L159-V359 HydrophobicContact CB-CG2 3.97Å; L159-V359 HydrophobicContact CD1-CG1 4.3Å; L159-V359 HydrophobicContact CD1-CG2 4.43Å; R162-V359 HydrophobicContact CB-CG1 4.16Å; R162-V359 HydrophobicContact CG-CG1 3.83Å; N357-V359 VanDerWaalsContact C-N 3.25Å; N357-V359 PolarHBondContact O-N 2.79Å; V359-L361 VanDerWaalsContact C-N 3.3Å; V359-L361 PolarHBondContact O-N 2.87Å; V359-V362 PolarHBondContact O-N 2.98Å; V359-Q363 WeakPolarHBondContact O-CB 3.4Å; V359-Q363 PolarHBondContact O-N 3.41Å
360	E	87.7	Confident	85.4	Confident	88 Å²	88	40.5 Å²	40.5	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-43.7	172.5	-66.3	78.3	-167.7	0	0	110.7	N357 V362 Q363 E364	N357-E360 WeakPolarHBondContact CA-OE2 3.3Å; N357-E360 PolarHBondContact O-N 3.25Å; E360-V362 PolarHBondContact O-N 2.89Å; E360-Q363 PolarHBondContact O-N 2.85Å; E360-E364 WeakPolarHBondContact O-CB 3.34Å; E360-E364 VanDerWaalsContact O-CG 3.3Å; E360-E364 WeakPolarHBondContact O-CG 3.39Å; E360-E364 PolarHBondContact O-N 2.85Å
361	L	89.6	Confident	85.1	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-51.5	177.9	-179.2	160.9	0	0	0	111.2	I323 A325 G349 K350 N357 V358 V359 Q363 E364 Q365	I323-L361 HydrophobicContact CG2-CD2 3.63Å; A325-L361 HydrophobicContact CB-CD1 4.07Å; A325-L361 HydrophobicContact CB-CD2 3.96Å; G349-L361 VanDerWaalsContact C-CD1 3.5Å; K350-L361 WeakPolarHBondContact O-CD1 3.49Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.42Å; N357-L361 PolarHBondContact O-N 3Å; V358-L361 WeakPolarHBondContact O-CB 3.32Å; V358-L361 PolarHBondContact O-N 2.93Å; V359-L361 VanDerWaalsContact C-N 3.3Å; V359-L361 PolarHBondContact O-N 2.87Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 2.77Å; L361-E364 PolarHBondContact O-N 3.37Å; L361-Q365 HydrophobicContact CD2-CG 4.06Å; L361-Q365 WeakPolarHBondContact O-CB 3.41Å; L361-Q365 VanDerWaalsContact O-CG 3.24Å; L361-Q365 WeakPolarHBondContact O-CG 3.3Å; L361-Q365 PolarHBondContact O-N 3.11Å
362	V	87.6	Confident	85.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-41.8	-179.8	170.7	0	0	0	0	110.6	L135 L159 V263 I323 V358 V359 E360 Q365 Y366	L135-V362 HydrophobicContact CD1-CG1 3.78Å; L159-V362 HydrophobicContact CD1-CB 4.08Å; L159-V362 HydrophobicContact CD1-CG1 3.86Å; V263-V362 HydrophobicContact CG1-CG2 3.99Å; V263-V362 HydrophobicContact CG2-CG1 4.36Å; V263-V362 HydrophobicContact CG2-CG2 3.75Å; I323-V362 HydrophobicContact CD1-CG1 4.41Å; V358-V362 HydrophobicContact CG2-CG2 4.26Å; V358-V362 WeakPolarHBondContact O-CB 3.1Å; V358-V362 VanDerWaalsContact O-CG2 3.25Å; V358-V362 WeakPolarHBondContact O-CG2 3.13Å; V358-V362 PolarHBondContact O-N 3.48Å; V359-V362 PolarHBondContact O-N 2.98Å; E360-V362 PolarHBondContact O-N 2.89Å; V362-Q365 PolarHBondContact O-N 2.86Å; V362-Y366 VanDerWaalsContact O-CB 3.23Å; V362-Y366 WeakPolarHBondContact O-CB 3.4Å; V362-Y366 PolarHBondContact O-N 2.87Å
363	Q	85.9	Confident	85.2	Confident	56 Å²	56	44.5 Å²	44.5	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-48.5	176.7	-168.4	-171.1	-46.6	0	0	111.4	I166 V359 E360 L361 Q365 Y366 D367	I166-Q363 HydrophobicContact CD1-CG 4.27Å; V359-Q363 WeakPolarHBondContact O-CB 3.4Å; V359-Q363 PolarHBondContact O-N 3.41Å; E360-Q363 PolarHBondContact O-N 2.85Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 2.77Å; Q363-Q365 VanDerWaalsContact C-N 3.33Å; Q363-Q365 PolarHBondContact O-N 2.82Å; Q363-Y366 WeakPolarHBondContact O-CB 3.22Å; Q363-Y366 PolarHBondContact O-N 3.45Å; Q363-D367 PolarHBondContact O-N 2.92Å
364	E	89.2	Confident	85.7	Confident	106 Å²	106	40.3 Å²	40.3	50%	0.495	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-40.3	178	-76.1	-177.6	-172	0	0	112.4	E360 L361 D367 K368	E360-E364 WeakPolarHBondContact O-CB 3.34Å; E360-E364 VanDerWaalsContact O-CG 3.3Å; E360-E364 WeakPolarHBondContact O-CG 3.39Å; E360-E364 PolarHBondContact O-N 2.85Å; L361-E364 PolarHBondContact O-N 3.37Å; E364-D367 PolarHBondContact O-N 2.64Å; E364-K368 VanDerWaalsContact O-CG 3.28Å; E364-K368 WeakPolarHBondContact O-CG 3.49Å; E364-K368 PolarHBondContact O-N 2.74Å; E364-K368 IonicContact OE2-NZ 3.86Å
365	Q	89	Confident	86.5	Confident	10 Å²	10	38 Å²	38	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-70.3	-39.2	176.7	-64.9	-29	-65	0	0	111.1	I323 S347 L361 V362 Q363 D367 K368 I369	I323-Q365 HydrophobicContact CD1-CB 3.89Å; I323-Q365 HydrophobicContact CG1-CB 3.97Å; I323-Q365 HydrophobicContact CG2-CB 4.14Å; I323-Q365 HydrophobicContact CG2-CG 3.91Å; S347-Q365 WeakPolarHBondContact OG-CG 3.23Å; L361-Q365 HydrophobicContact CD2-CG 4.06Å; L361-Q365 WeakPolarHBondContact O-CB 3.41Å; L361-Q365 VanDerWaalsContact O-CG 3.24Å; L361-Q365 WeakPolarHBondContact O-CG 3.3Å; L361-Q365 PolarHBondContact O-N 3.11Å; V362-Q365 PolarHBondContact O-N 2.86Å; Q363-Q365 VanDerWaalsContact C-N 3.33Å; Q363-Q365 PolarHBondContact O-N 2.82Å; Q365-D367 VanDerWaalsContact C-N 3.32Å; Q365-D367 PolarHBondContact O-N 2.04Å; Q365-K368 VanDerWaalsContact NE2-NZ 3.12Å; Q365-K368 PolarHBondContact O-N 2.63Å; Q365-I369 WeakPolarHBondContact O-CB 3.49Å; Q365-I369 WeakPolarHBondContact O-CD1 3.46Å; Q365-I369 WeakPolarHBondContact O-CG1 3.43Å; Q365-I369 PolarHBondContact O-N 3.05Å
366	Y	86.2	Confident	87.1	Confident	13 Å²	13	39.6 Å²	39.6	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-46.2	172.1	176.5	-85.9	0	0	0	111.3	V133 M163 I166 M261 V362 Q363 K368 I369 S370	V133-Y366 HydrophobicContact CG2-CE2 3.94Å; M163-Y366 HydrophobicContact CE-CD2 3.79Å; M163-Y366 HydrophobicContact CE-CE2 4.04Å; M163-Y366 HydrophobicContact CE-CG 4.18Å; I166-Y366 HydrophobicContact CD1-CD1 3.98Å; I166-Y366 HydrophobicContact CD1-CE1 4.19Å; I166-Y366 HydrophobicContact CG2-CD1 4.27Å; I166-Y366 HydrophobicContact CG2-CE1 3.43Å; I166-Y366 VanDerWaalsContact CG2-CE1 3.43Å; M261-Y366 HydrophobicContact CE-CD2 3.79Å; M261-Y366 HydrophobicContact CE-CE2 4.33Å; M261-Y366 HydrophobicContact SD-CD2 3.57Å; M261-Y366 VanDerWaalsContact SD-CD2 3.57Å; M261-Y366 HydrophobicContact SD-CE2 4.12Å; V362-Y366 VanDerWaalsContact O-CB 3.23Å; V362-Y366 WeakPolarHBondContact O-CB 3.4Å; V362-Y366 PolarHBondContact O-N 2.87Å; Q363-Y366 WeakPolarHBondContact O-CB 3.22Å; Q363-Y366 PolarHBondContact O-N 3.45Å; Y366-K368 PolarHBondContact O-N 3.43Å; Y366-I369 PolarHBondContact O-N 3.26Å; Y366-S370 WeakPolarHBondContact O-CB 3.38Å; Y366-S370 PolarHBondContact O-N 2.66Å; Y366-S370 PolarHBondContact O-OG 3.01Å
367	D	85.6	Confident	87.7	Confident	52 Å²	52	38.7 Å²	38.7	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-43.6	178.1	-74.3	-23.1	0	0	0	110.8	Q363 E364 Q365 I369 S370 Q371	Q363-D367 PolarHBondContact O-N 2.92Å; E364-D367 PolarHBondContact O-N 2.64Å; Q365-D367 VanDerWaalsContact C-N 3.32Å; Q365-D367 PolarHBondContact O-N 2.04Å; D367-I369 VanDerWaalsContact C-N 3.32Å; D367-I369 PolarHBondContact O-N 3.29Å; D367-S370 WeakPolarHBondContact CA-OG 3.04Å; D367-S370 PolarHBondContact O-OG 3.15Å; D367-Q371 WeakPolarHBondContact O-CB 3.48Å; D367-Q371 WeakPolarHBondContact O-CG 3.38Å; D367-Q371 PolarHBondContact O-N 3.16Å
368	K	85.6	Confident	87.9	Confident	111 Å²	111	40 Å²	40	48%	0.483	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-39.3	175.1	-72.5	165.6	-168.9	159.8	0	112.9	E364 Q365 Y366 K372	E364-K368 VanDerWaalsContact O-CG 3.28Å; E364-K368 WeakPolarHBondContact O-CG 3.49Å; E364-K368 PolarHBondContact O-N 2.74Å; E364-K368 IonicContact OE2-NZ 3.86Å; Q365-K368 VanDerWaalsContact NE2-NZ 3.12Å; Q365-K368 PolarHBondContact O-N 2.63Å; Y366-K368 PolarHBondContact O-N 3.43Å; K368-K372 WeakPolarHBondContact O-CB 3.38Å
369	I	84.1	Confident	88.2	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-48.7	-179.9	-72	164.6	0	0	0	110.4	N321 I323 S345 Q365 Y366 D367 Q371 K372	N321-I369 HydrophobicContact CB-CD1 4.24Å; N321-I369 HydrophobicContact CB-CG2 4.43Å; N321-I369 VanDerWaalsContact OD1-CG2 3.27Å; N321-I369 WeakPolarHBondContact OD1-CG2 3.31Å; I323-I369 HydrophobicContact CD1-CD1 4.33Å; I323-I369 HydrophobicContact CG1-CD1 4.04Å; S345-I369 WeakPolarHBondContact OG-CG2 3.3Å; Q365-I369 WeakPolarHBondContact O-CB 3.49Å; Q365-I369 WeakPolarHBondContact O-CD1 3.46Å; Q365-I369 WeakPolarHBondContact O-CG1 3.43Å; Q365-I369 PolarHBondContact O-N 3.05Å; Y366-I369 PolarHBondContact O-N 3.26Å; D367-I369 VanDerWaalsContact C-N 3.32Å; D367-I369 PolarHBondContact O-N 3.29Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; I369-Q371 PolarHBondContact O-N 3.27Å; I369-K372 PolarHBondContact O-N 3.05Å; I369-K372 VanDerWaalsContact O-O 3.09Å
370	S	83.4	Confident	88.4	Confident	10 Å²	10	45 Å²	45	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-32.5	-178.4	58.3	0	0	0	0	112.7	Q127 Y366 D367 K372	Q127-S370 PolarHBondContact OE1-O 3.04Å; Y366-S370 WeakPolarHBondContact O-CB 3.38Å; Y366-S370 PolarHBondContact O-N 2.66Å; Y366-S370 PolarHBondContact O-OG 3.01Å; D367-S370 WeakPolarHBondContact CA-OG 3.04Å; D367-S370 PolarHBondContact O-OG 3.15Å; S370-K372 VanDerWaalsContact C-N 3.26Å; S370-K372 PolarHBondContact O-N 3.28Å
371	Q	87.4	Confident	88.3	Confident	82 Å²	82	43.6 Å²	43.6	38%	0.383	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.3	179.2	-62.7	171.3	16.9	0	0	114.2	D367 I369 S405 G406 I407	D367-Q371 WeakPolarHBondContact O-CB 3.48Å; D367-Q371 WeakPolarHBondContact O-CG 3.38Å; D367-Q371 PolarHBondContact O-N 3.16Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; I369-Q371 PolarHBondContact O-N 3.27Å; Q371-S405 CarbonylContact O-C 3.53Å; Q371-S405 WeakPolarHBondContact O-CA 3.4Å; Q371-G406 PolarHBondContact O-N 3.07Å; Q371-I407 VanDerWaalsContact CA-O 3.22Å; Q371-I407 WeakPolarHBondContact CA-O 3.47Å; Q371-I407 WeakPolarHBondContact CB-O 3.48Å; Q371-I407 WeakPolarHBondContact CG-O 3.26Å; Q371-I407 PolarHBondContact O-N 3.07Å
372	K	88.2	Confident	88.2	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.478	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.5	-179	-172.9	-178.7	179.3	-173.3	0	110.6	K368 I369 S370 V374 V403 C404	K368-K372 WeakPolarHBondContact O-CB 3.38Å; I369-K372 PolarHBondContact O-N 3.05Å; I369-K372 VanDerWaalsContact O-O 3.09Å; S370-K372 VanDerWaalsContact C-N 3.26Å; S370-K372 PolarHBondContact O-N 3.28Å; K372-V374 HydrophobicContact CD-CG2 4.38Å; K372-V374 HydrophobicContact CG-CG2 4.25Å; K372-V403 HydrophobicContact CG-CG1 4.46Å; K372-C404 WeakPolarHBondContact CA-O 3.42Å
373	I	89.2	Confident	88.3	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	174.1	-58.5	165.8	0	0	0	107.8	F125 M375 V403 C404 I407 I413 F415 P436	F125-I373 HydrophobicContact CD1-CD1 3.35Å; F125-I373 HydrophobicContact CD1-CG1 4.12Å; F125-I373 HydrophobicContact CE1-CD1 3.51Å; F125-I373 HydrophobicContact CE1-CG1 3.87Å; I373-M375 HydrophobicContact CG2-CG 4.48Å; I373-M375 HydrophobicContact CG2-SD 4.29Å; I373-V403 WeakPolarHBondContact O-CA 3.37Å; I373-C404 PolarHBondContact N-O 3.47Å; I373-C404 PolarHBondContact O-N 3.24Å; I373-I407 HydrophobicContact CD1-CB 4.39Å; I373-I407 HydrophobicContact CD1-CG1 3.96Å; I373-I407 HydrophobicContact CD1-CG2 3.99Å; I373-I407 HydrophobicContact CG1-CG1 4.32Å; I373-I413 HydrophobicContact CD1-CG1 4.17Å; I373-F415 HydrophobicContact CG2-CE2 4.15Å; I373-F415 HydrophobicContact CG2-CZ 3.96Å; I373-P436 HydrophobicContact CG2-CB 4.21Å
374	V	91	Very high	88.5	Confident	24 Å²	24	47.6 Å²	47.6	15%	0.145	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109	171.3	-178	0	0	0	0	107.1	K372 V376 N402 V403 P436 S437	K372-V374 HydrophobicContact CD-CG2 4.38Å; K372-V374 HydrophobicContact CG-CG2 4.25Å; V374-V376 HydrophobicContact CG1-CG1 4.13Å; V374-N402 WeakPolarHBondContact CA-O 3.21Å; V374-V403 HydrophobicContact CG1-CG2 4.21Å; V374-V403 HydrophobicContact CG2-CG1 4.22Å; V374-V403 HydrophobicContact CG2-CG2 4.16Å; V374-P436 CarbonylContact O-C 3.53Å; V374-P436 WeakPolarHBondContact O-CA 3.47Å; V374-S437 PolarHBondContact O-N 2.74Å
375	M	92.1	Very high	88.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.5	174.7	-65.4	-60.9	-76.6	0	0	109.5	L104 V123 I373 Y389 N402 F415 I434 P436	L104-M375 HydrophobicContact CD2-CE 4.26Å; V123-M375 HydrophobicContact CG1-CE 4.46Å; I373-M375 HydrophobicContact CG2-CG 4.48Å; I373-M375 HydrophobicContact CG2-SD 4.29Å; M375-Y389 HydrophobicContact CB-CD1 4.09Å; M375-Y389 HydrophobicContact CB-CE1 3.84Å; M375-N402 HydrophobicContact CB-CB 4.26Å; M375-N402 PolarHBondContact N-O 2.64Å; M375-N402 PolarHBondContact O-ND2 3.34Å; M375-F415 HydrophobicContact CG-CD1 3.87Å; M375-F415 HydrophobicContact CG-CD2 3.92Å; M375-F415 HydrophobicContact CG-CE1 3.7Å; M375-F415 HydrophobicContact CG-CE2 3.75Å; M375-F415 HydrophobicContact CG-CG 3.98Å; M375-F415 HydrophobicContact CG-CZ 3.64Å; M375-F415 HydrophobicContact SD-CD2 4.38Å; M375-F415 HydrophobicContact SD-CE2 4.21Å; M375-I434 HydrophobicContact CE-CG2 3.76Å; M375-P436 HydrophobicContact SD-CB 4.31Å
376	V	91.4	Very high	88.9	Confident	34 Å²	34	46.5 Å²	46.5	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.5	180	-64.9	0	0	0	0	110.1	E343 V374 I434 G435	E343-V376 HydrophobicContact CB-CG1 4.37Å; V374-V376 HydrophobicContact CG1-CG1 4.13Å; V376-I434 WeakPolarHBondContact O-CA 3.12Å; V376-G435 VanDerWaalsContact CG2-O 3.32Å; V376-G435 WeakPolarHBondContact CG2-O 3.22Å; V376-G435 PolarHBondContact N-O 2.91Å; V376-G435 PolarHBondContact O-N 2.91Å
377	D	92.9	Very high	89.4	Confident	39 Å²	39	47.6 Å²	47.6	21%	0.209	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	173	179.5	63.3	86.4	0	0	0	112.4	V379 I387 Y389 R433 I434	D377-V379 HydrophobicContact CB-CG2 4.33Å; D377-V379 WeakPolarHBondContact OD1-CA 3.46Å; D377-V379 WeakPolarHBondContact OD1-CB 3.27Å; D377-V379 WeakPolarHBondContact OD1-CG2 3.29Å; D377-V379 PolarHBondContact OD1-N 3.27Å; D377-I387 HydrophobicContact CB-CD1 4.42Å; D377-I387 WeakPolarHBondContact OD2-CG2 3.03Å; D377-Y389 VanDerWaalsContact CB-OH 3.26Å; D377-Y389 WeakPolarHBondContact CB-OH 3.44Å; D377-Y389 VanDerWaalsContact CG-OH 3.24Å; D377-Y389 WeakPolarHBondContact OD2-CE2 2.97Å; D377-Y389 PolarHBondContact OD2-OH 2.77Å; D377-R433 VanDerWaalsContact CA-O 3.27Å; D377-R433 WeakPolarHBondContact CA-O 3.38Å; D377-I434 HydrophobicContact CB-CG1 4.07Å
378	N	91.7	Very high	89.8	Confident	79 Å²	79	46.9 Å²	46.9	42%	0.422	25%	0.253	S	S	.	.			trans	-107.4	19.7	175.4	70.1	-28.9	0	0	0	113	L431 I432 R433	N378-L431 PolarHBondContact ND2-O 2.83Å; N378-L431 VanDerWaalsContact ND2-O 3.1Å; N378-I432 VanDerWaalsContact OD1-CA 3.29Å; N378-I432 WeakPolarHBondContact OD1-CA 3.42Å; N378-R433 PolarHBondContact N-O 2.88Å; N378-R433 PolarHBondContact OD1-N 3.05Å; N378-R433 PolarHBondContact OD1-O 2.81Å
379	V	91.4	Very high	90.4	Very high	31 Å²	31	42.7 Å²	42.7	19%	0.188	23%	0.234	C	C	.	.			trans	-70.6	132.5	-179.3	178.5	0	0	0	0	110	D377 V385 I387 I432	D377-V379 HydrophobicContact CB-CG2 4.33Å; D377-V379 WeakPolarHBondContact OD1-CA 3.46Å; D377-V379 WeakPolarHBondContact OD1-CB 3.27Å; D377-V379 WeakPolarHBondContact OD1-CG2 3.29Å; D377-V379 PolarHBondContact OD1-N 3.27Å; V379-V385 HydrophobicContact CG1-CB 3.94Å; V379-V385 HydrophobicContact CG1-CG1 3.81Å; V379-V385 WeakPolarHBondContact CG1-O 3.35Å; V379-I387 HydrophobicContact CB-CB 4.47Å; V379-I387 HydrophobicContact CB-CG2 3.94Å; V379-I387 HydrophobicContact CG1-CG2 4.29Å; V379-I387 HydrophobicContact CG2-CB 4.12Å; V379-I387 HydrophobicContact CG2-CD1 4.2Å; V379-I387 HydrophobicContact CG2-CG2 3.95Å; V379-I432 HydrophobicContact CG2-CB 4.43Å; V379-I432 HydrophobicContact CG2-CD1 4.03Å; V379-I432 HydrophobicContact CG2-CG1 4.08Å; V379-I432 HydrophobicContact CG2-CG2 3.52Å
380	N	86.6	Confident	91	Very high	76 Å²	76	43.2 Å²	43.2	41%	0.406	24%	0.239	S	C	.	.			trans	-111.4	110.3	175.2	-169.1	-15.9	0	0	0	110.5	S382 Q383	N380-S382 PolarHBondContact ND2-OG 3.41Å; N380-S382 PolarHBondContact O-N 3.19Å; N380-S382 VanDerWaalsContact O-N 3.07Å; N380-S382 WeakPolarHBondContact OD1-CB 3.47Å; N380-S382 PolarHBondContact OD1-N 3.45Å; N380-S382 VanDerWaalsContact OD1-N 3.07Å; N380-S382 PolarHBondContact OD1-OG 2.89Å; N380-Q383 HydrophobicContact CB-CB 4.43Å; N380-Q383 HydrophobicContact CB-CG 4.05Å; N380-Q383 WeakPolarHBondContact O-CB 3.44Å; N380-Q383 PolarHBondContact O-N 2.86Å
381	A	87.3	Confident	91.6	Very high	60 Å²	60	43 Å²	43	50%	0.496	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-56.3	-27.9	178.3	0	0	0	0	0	113.4	Q383 G384 V385 Q386	A381-Q383 VanDerWaalsContact C-N 3.27Å; A381-Q383 PolarHBondContact O-N 3.43Å; A381-G384 PolarHBondContact O-N 3.44Å; A381-G384 VanDerWaalsContact O-N 3.14Å; A381-V385 VanDerWaalsContact CA-O 3.3Å; A381-V385 WeakPolarHBondContact CA-O 3.43Å; A381-Q386 HydrophobicContact CB-CG 4.5Å
382	S	87.1	Confident	91.9	Very high	73 Å²	73	40.4 Å²	40.4	51%	0.51	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.9	-28	178.4	68.8	0	0	0	0	113	N380 G384 R423	N380-S382 PolarHBondContact ND2-OG 3.41Å; N380-S382 PolarHBondContact O-N 3.19Å; N380-S382 VanDerWaalsContact O-N 3.07Å; N380-S382 WeakPolarHBondContact OD1-CB 3.47Å; N380-S382 PolarHBondContact OD1-N 3.45Å; N380-S382 VanDerWaalsContact OD1-N 3.07Å; N380-S382 PolarHBondContact OD1-OG 2.89Å; S382-G384 PolarHBondContact O-N 2.78Å; S382-R423 PolarHBondContact O-NH2 3.06Å
383	Q	88.5	Confident	92.1	Very high	72 Å²	72	37 Å²	37	34%	0.336	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-80.8	7.9	174.9	-62.3	-178.7	-38.8	0	0	113	N380 A381 T425 F430	N380-Q383 HydrophobicContact CB-CB 4.43Å; N380-Q383 HydrophobicContact CB-CG 4.05Å; N380-Q383 WeakPolarHBondContact O-CB 3.44Å; N380-Q383 PolarHBondContact O-N 2.86Å; A381-Q383 VanDerWaalsContact C-N 3.27Å; A381-Q383 PolarHBondContact O-N 3.43Å; Q383-T425 WeakPolarHBondContact O-CG2 3.44Å; Q383-T425 PolarHBondContact O-OG1 2.91Å; Q383-F430 HydrophobicContact CB-CE1 3.99Å
384	G	90	Very high	92	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	5.7	173.6	0	0	0	0	0	114.8	A381 S382 V421 T422	A381-G384 PolarHBondContact O-N 3.44Å; A381-G384 VanDerWaalsContact O-N 3.14Å; S382-G384 PolarHBondContact O-N 2.78Å; G384-V421 CarbonylContact O-C 2.96Å; G384-V421 WeakPolarHBondContact O-CA 3.46Å; G384-T422 VanDerWaalsContact CA-OG1 3.3Å; G384-T422 WeakPolarHBondContact CA-OG1 3.43Å; G384-T422 PolarHBondContact O-N 3.05Å; G384-T422 PolarHBondContact O-OG1 3.48Å
385	V	93.6	Very high	91.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.1	176.7	-174.4	0	0	0	0	110.1	V379 A381 L419 E420 V421 F430 I432 L447	V379-V385 HydrophobicContact CG1-CB 3.94Å; V379-V385 HydrophobicContact CG1-CG1 3.81Å; V379-V385 WeakPolarHBondContact CG1-O 3.35Å; A381-V385 VanDerWaalsContact CA-O 3.3Å; A381-V385 WeakPolarHBondContact CA-O 3.43Å; V385-L419 HydrophobicContact CG1-CD2 4.39Å; V385-E420 CarbonylContact C-O 3.19Å; V385-V421 HydrophobicContact CG2-CG2 4.43Å; V385-F430 HydrophobicContact CG2-CD1 4.35Å; V385-F430 HydrophobicContact CG2-CD2 4.29Å; V385-F430 HydrophobicContact CG2-CE1 4.27Å; V385-F430 HydrophobicContact CG2-CE2 4.2Å; V385-F430 HydrophobicContact CG2-CG 4.36Å; V385-F430 HydrophobicContact CG2-CZ 4.18Å; V385-I432 HydrophobicContact CG1-CD1 4.05Å; V385-L447 HydrophobicContact CG1-CD2 3.99Å; V385-L447 HydrophobicContact CG2-CD2 3.98Å
386	Q	94.5	Very high	91.4	Very high	89 Å²	89	53.6 Å²	53.6	42%	0.416	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.3	175.6	-68.2	-173.4	-2.2	0	0	110.5	A381 L419 E420 T422	A381-Q386 HydrophobicContact CB-CG 4.5Å; Q386-L419 WeakPolarHBondContact O-CA 3.37Å; Q386-E420 HydrophobicContact CB-CB 4.44Å; Q386-E420 PolarHBondContact N-O 3Å; Q386-E420 PolarHBondContact O-N 3.49Å; Q386-T422 HydrophobicContact CG-CG2 3.84Å
387	I	95.2	Very high	91.4	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.185	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.5	179.9	-166.9	167.2	0	0	0	110.1	D377 V379 Y389 I417 S418 L419 I434	D377-I387 HydrophobicContact CB-CD1 4.42Å; D377-I387 WeakPolarHBondContact OD2-CG2 3.03Å; V379-I387 HydrophobicContact CB-CB 4.47Å; V379-I387 HydrophobicContact CB-CG2 3.94Å; V379-I387 HydrophobicContact CG1-CG2 4.29Å; V379-I387 HydrophobicContact CG2-CB 4.12Å; V379-I387 HydrophobicContact CG2-CD1 4.2Å; V379-I387 HydrophobicContact CG2-CG2 3.95Å; I387-Y389 HydrophobicContact CD1-CE1 4.49Å; I387-Y389 HydrophobicContact CD1-CE2 4.4Å; I387-Y389 HydrophobicContact CG1-CE2 4.24Å; I387-Y389 HydrophobicContact CG2-CE2 4.18Å; I387-I417 HydrophobicContact CD1-CG2 3.67Å; I387-I417 HydrophobicContact CG1-CG2 3.72Å; I387-S418 CarbonylContact C-O 3.4Å; I387-S418 WeakPolarHBondContact CA-O 3.47Å; I387-L419 HydrophobicContact CB-CD2 3.85Å; I387-L419 HydrophobicContact CD1-CD2 3.79Å; I387-L419 HydrophobicContact CG1-CD2 3.74Å; I387-I434 HydrophobicContact CD1-CD1 3.39Å; I387-I434 HydrophobicContact CD1-CG1 4.25Å
388	S	96	Very high	91.3	Very high	37 Å²	37	59.3 Å²	59.3	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.8	172.2	70.4	0	0	0	0	111.6	I417 S418	S388-I417 WeakPolarHBondContact O-CA 3.5Å; S388-S418 PolarHBondContact N-O 2.72Å; S388-S418 PolarHBondContact O-N 2.65Å
389	Y	96.7	Very high	91.4	Very high	23 Å²	23	60 Å²	60	9%	0.09	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.6	-173.9	-59.5	-93.4	0	0	0	110.2	M375 D377 I387 R400 T401 N402 I417 I434	M375-Y389 HydrophobicContact CB-CD1 4.09Å; M375-Y389 HydrophobicContact CB-CE1 3.84Å; D377-Y389 VanDerWaalsContact CB-OH 3.26Å; D377-Y389 WeakPolarHBondContact CB-OH 3.44Å; D377-Y389 VanDerWaalsContact CG-OH 3.24Å; D377-Y389 WeakPolarHBondContact OD2-CE2 2.97Å; D377-Y389 PolarHBondContact OD2-OH 2.77Å; I387-Y389 HydrophobicContact CD1-CE1 4.49Å; I387-Y389 HydrophobicContact CD1-CE2 4.4Å; I387-Y389 HydrophobicContact CG1-CE2 4.24Å; I387-Y389 HydrophobicContact CG2-CE2 4.18Å; Y389-R400 CarbonylContact O-C 3.38Å; Y389-R400 WeakPolarHBondContact O-CA 3.34Å; Y389-T401 PolarHBondContact O-N 3.46Å; Y389-N402 HydrophobicContact CD1-CB 4.27Å; Y389-N402 HydrophobicContact CD2-CB 3.79Å; Y389-N402 HydrophobicContact CE2-CB 4.42Å; Y389-N402 HydrophobicContact CG-CB 3.7Å; Y389-I417 HydrophobicContact CD1-CD1 4.27Å; Y389-I417 HydrophobicContact CD1-CG1 4.03Å; Y389-I417 HydrophobicContact CE1-CD1 3.93Å; Y389-I417 HydrophobicContact CE1-CG1 4.17Å; Y389-I434 HydrophobicContact CE1-CG2 4.02Å
390	S	96.6	Very high	91.6	Very high	22 Å²	22	68.7 Å²	68.7	15%	0.154	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.5	167.5	66.6	0	0	0	0	111.1	N399 N416	S390-N399 CarbonylContact C-O 3.56Å; S390-N399 VanDerWaalsContact CA-O 3.23Å; S390-N399 WeakPolarHBondContact CA-O 3.4Å; S390-N416 PolarHBondContact N-O 2.8Å; S390-N416 PolarHBondContact O-N 2.79Å; S390-N416 PolarHBondContact OG-O 2.04Å
391	T	96.2	Very high	91.9	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.9	179	-177.3	0	0	0	0	110.2	C393 N399 T401 T414 F415	T391-C393 VanDerWaalsContact C-N 3.31Å; T391-C393 PolarHBondContact OG1-N 3.41Å; T391-N399 PolarHBondContact N-O 2.74Å; T391-N399 PolarHBondContact O-N 3.43Å; T391-T401 HydrophobicContact CG2-CG2 3.73Å; T391-T414 WeakPolarHBondContact CB-O 3.41Å; T391-T414 PolarHBondContact OG1-O 3.35Å; T391-F415 HydrophobicContact CG2-CD1 3.74Å; T391-F415 HydrophobicContact CG2-CE1 3.58Å; T391-F415 HydrophobicContact CG2-CZ 4.41Å
392	A	93.8	Very high	92.2	Very high	28 Å²	28	66.5 Å²	66.5	23%	0.231	35%	0.353	C	S	.	.			trans	-84.4	-8.6	168.8	0	0	0	0	0	112.5	K394 G395 V397 V398	A392-K394 PolarHBondContact O-N 2.96Å; A392-K394 VanDerWaalsContact O-N 3.15Å; A392-G395 WeakPolarHBondContact CB-O 2.96Å; A392-G395 WeakPolarHBondContact O-CA 3.37Å; A392-G395 PolarHBondContact O-N 2.56Å; A392-V397 WeakPolarHBondContact CA-O 3.43Å; A392-V398 HydrophobicContact CB-CG2 4.19Å
393	C	91.8	Very high	92.4	Very high	38 Å²	38	65.2 Å²	65.2	26%	0.257	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	-117	-165.2	-58.5	0	0	0	0	110.3	T391 C404 I413	T391-C393 VanDerWaalsContact C-N 3.31Å; T391-C393 PolarHBondContact OG1-N 3.41Å; C393-C404 VanDerWaalsContact CA-SG 3.53Å; C393-C404 HydrophobicContact CB-CB 3.8Å; C393-C404 WeakPolarHBondContact CB-SG 3.49Å; C393-C404 WeakPolarHBondContact SG-CA 3.23Å; C393-C404 WeakPolarHBondContact SG-CB 3.47Å; C393-C404 CovalentContact SG-SG 2.04Å; C393-C404 PolarHBondContact SG-SG 2.91Å; C393-I413 WeakPolarHBondContact O-CD1 3.35Å
394	K	87.5	Confident	92.6	Very high	119 Å²	119	61.9 Å²	61.9	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.2	173.9	-59.5	-174.8	66.9	159	0	113.6	A392 I407 D411 I413	A392-K394 PolarHBondContact O-N 2.96Å; A392-K394 VanDerWaalsContact O-N 3.15Å; K394-I407 HydrophobicContact CD-CD1 3.97Å; K394-I407 HydrophobicContact CG-CD1 3.94Å; K394-D411 WeakPolarHBondContact CE-OD2 3.28Å; K394-D411 VanDerWaalsContact NZ-CG 3.34Å; K394-D411 IonicContact NZ-OD1 3.99Å; K394-D411 PolarHBondContact NZ-OD1 2.89Å; K394-D411 IonicContact NZ-OD2 2.83Å; K394-D411 PolarHBondContact NZ-OD2 2.99Å; K394-I413 HydrophobicContact CG-CD1 3.9Å
395	G	86.6	Confident	92.6	Very high	48 Å²	48	65.8 Å²	65.8	50%	0.495	35%	0.354	S	S	.	.	S	Bend	trans	-88.7	-175.1	179.3	0	0	0	0	0	112.6	A392	A392-G395 WeakPolarHBondContact CB-O 2.96Å; A392-G395 WeakPolarHBondContact O-CA 3.37Å; A392-G395 PolarHBondContact O-N 2.56Å
396	K	84.8	Confident	92.2	Very high	212 Å²	212	67.7 Å²	67.7	92%	0.922	37%	0.374	S	S	*	.	S	Bend	trans	-100.8	-13.9	171.4	-63	-175	179.2	-176.9	0	113.2
397	V	90.6	Very high	91.9	Very high	100 Å²	100	63.5 Å²	63.5	61%	0.606	36%	0.355	S	S	*	.	S	Bend	trans	-98.5	118.3	-175.4	-178.3	0	0	0	0	108.6	A392 N399	A392-V397 WeakPolarHBondContact CA-O 3.43Å; V397-N399 PolarHBondContact O-N 2.82Å
398	V	91.5	Very high	91.3	Very high	94 Å²	94	68.6 Å²	68.6	57%	0.57	38%	0.376	S	S	*	.			trans	-73.6	119.2	174.2	179.1	0	0	0	0	108.9	A392	A392-V398 HydrophobicContact CB-CG2 4.19Å
399	N	93.7	Very high	90.5	Very high	93 Å²	93	70.6 Å²	70.6	50%	0.497	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-108.4	148.8	176.1	-68.4	-38.5	0	0	0	109.9	S390 T391 V397 T401	S390-N399 CarbonylContact C-O 3.56Å; S390-N399 VanDerWaalsContact CA-O 3.23Å; S390-N399 WeakPolarHBondContact CA-O 3.4Å; T391-N399 PolarHBondContact N-O 2.74Å; T391-N399 PolarHBondContact O-N 3.43Å; V397-N399 PolarHBondContact O-N 2.82Å; N399-T401 VanDerWaalsContact C-N 3.32Å; N399-T401 HydrophobicContact CB-CG2 4.02Å; N399-T401 PolarHBondContact O-N 2.8Å
400	R	95	Very high	89.7	Confident	214 Å²	214	71.2 Å²	71.2	81%	0.808	40%	0.4	S	S	*	.	S	Bend	trans	-75.3	85.9	169.6	-64.4	-174.1	76	-175.6	5.6	109.3	Y389	Y389-R400 CarbonylContact O-C 3.38Å; Y389-R400 WeakPolarHBondContact O-CA 3.34Å
401	T	93.2	Very high	89.4	Confident	37 Å²	37	72 Å²	72	23%	0.227	40%	0.402	C	S	.	.			trans	-149.2	144.5	-178.3	-178.5	0	0	0	0	109.6	Y389 T391 N399 V403	Y389-T401 PolarHBondContact O-N 3.46Å; T391-T401 HydrophobicContact CG2-CG2 3.73Å; N399-T401 VanDerWaalsContact C-N 3.32Å; N399-T401 HydrophobicContact CB-CG2 4.02Å; N399-T401 PolarHBondContact O-N 2.8Å; T401-V403 PolarHBondContact OG1-N 2.83Å; T401-V403 PolarHBondContact OG1-O 3.07Å; T401-V403 VanDerWaalsContact OG1-O 3.11Å
402	N	92.5	Very high	89.1	Confident	53 Å²	53	75.2 Å²	75.2	28%	0.283	42%	0.422	S	S	.	.	S	Bend	trans	-98.5	5.5	167	65.1	-36.8	0	0	0	112	V374 M375 Y389	V374-N402 WeakPolarHBondContact CA-O 3.21Å; M375-N402 HydrophobicContact CB-CB 4.26Å; M375-N402 PolarHBondContact N-O 2.64Å; M375-N402 PolarHBondContact O-ND2 3.34Å; Y389-N402 HydrophobicContact CD1-CB 4.27Å; Y389-N402 HydrophobicContact CD2-CB 3.79Å; Y389-N402 HydrophobicContact CE2-CB 4.42Å; Y389-N402 HydrophobicContact CG-CB 3.7Å
403	V	92.2	Very high	89.1	Confident	46 Å²	46	74 Å²	74	28%	0.279	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.8	-174.5	-174.9	0	0	0	0	111.3	K372 I373 V374 T401	K372-V403 HydrophobicContact CG-CG1 4.46Å; I373-V403 WeakPolarHBondContact O-CA 3.37Å; V374-V403 HydrophobicContact CG1-CG2 4.21Å; V374-V403 HydrophobicContact CG2-CG1 4.22Å; V374-V403 HydrophobicContact CG2-CG2 4.16Å; T401-V403 PolarHBondContact OG1-N 2.83Å; T401-V403 PolarHBondContact OG1-O 3.07Å; T401-V403 VanDerWaalsContact OG1-O 3.11Å
404	C	92.1	Very high	89.3	Confident	2 Å²	2	75 Å²	75	1%	0.014	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.4	167.1	-65.3	0	0	0	0	110.5	K372 I373 C393 I407	K372-C404 WeakPolarHBondContact CA-O 3.42Å; I373-C404 PolarHBondContact N-O 3.47Å; I373-C404 PolarHBondContact O-N 3.24Å; C393-C404 VanDerWaalsContact CA-SG 3.53Å; C393-C404 HydrophobicContact CB-CB 3.8Å; C393-C404 WeakPolarHBondContact CB-SG 3.49Å; C393-C404 WeakPolarHBondContact SG-CA 3.23Å; C393-C404 WeakPolarHBondContact SG-CB 3.47Å; C393-C404 CovalentContact SG-SG 2.04Å; C393-C404 PolarHBondContact SG-SG 2.91Å; C404-I407 HydrophobicContact CB-CD1 4.05Å; C404-I407 HydrophobicContact CB-CG1 4.17Å
405	S	89.7	Confident	89.7	Confident	81 Å²	81	69.4 Å²	69.4	57%	0.566	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	156.3	-179.4	-59.5	0	0	0	0	110.8	Q371	Q371-S405 CarbonylContact O-C 3.53Å; Q371-S405 WeakPolarHBondContact O-CA 3.4Å
406	G	86.3	Confident	90.2	Very high	44 Å²	44	69.5 Å²	69.5	45%	0.454	38%	0.381	S	S	.	.	S	Bend	trans	73.7	29.1	-177	0	0	0	0	0	113.4	Q371	Q371-G406 PolarHBondContact O-N 3.07Å
407	I	87.1	Confident	90.8	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	34%	0.337	C	S	.	.			trans	-82.5	138	178.4	-54	-55.1	0	0	0	109.4	Q371 I373 K394 C404 D411 I413	Q371-I407 VanDerWaalsContact CA-O 3.22Å; Q371-I407 WeakPolarHBondContact CA-O 3.47Å; Q371-I407 WeakPolarHBondContact CB-O 3.48Å; Q371-I407 WeakPolarHBondContact CG-O 3.26Å; Q371-I407 PolarHBondContact O-N 3.07Å; I373-I407 HydrophobicContact CD1-CB 4.39Å; I373-I407 HydrophobicContact CD1-CG1 3.96Å; I373-I407 HydrophobicContact CD1-CG2 3.99Å; I373-I407 HydrophobicContact CG1-CG1 4.32Å; K394-I407 HydrophobicContact CD-CD1 3.97Å; K394-I407 HydrophobicContact CG-CD1 3.94Å; C404-I407 HydrophobicContact CB-CD1 4.05Å; C404-I407 HydrophobicContact CB-CG1 4.17Å; I407-D411 HydrophobicContact CG2-CB 3.83Å; I407-I413 HydrophobicContact CD1-CD1 3.69Å; I407-I413 HydrophobicContact CD1-CG1 3.93Å
408	K	83.6	Confident	91.1	Very high	143 Å²	143	55.6 Å²	55.6	62%	0.622	32%	0.316	S	S	*	.			trans	-106	157.1	174.3	-63.3	-175.1	178.7	-175.3	0	110.3	G410 D411	K408-G410 PolarHBondContact O-N 3.13Å; K408-D411 PolarHBondContact N-OD2 2.68Å; K408-D411 VanDerWaalsContact O-CB 3.26Å; K408-D411 WeakPolarHBondContact O-CB 3.37Å; K408-D411 PolarHBondContact O-N 3.3Å
409	V	79.3	Confident	91.3	Very high	79 Å²	79	51.1 Å²	51.1	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	131.8	170.2	-178	0	0	0	0	109.3	V129	V129-V409 HydrophobicContact CB-CG1 4.5Å; V129-V409 HydrophobicContact CG2-CG1 3.95Å
410	G	80.7	Confident	91.4	Very high	37 Å²	37	49.4 Å²	49.4	38%	0.381	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-13.5	-175.5	0	0	0	0	0	115.9	Q127 K408	Q127-G410 PolarHBondContact O-N 2.98Å; K408-G410 PolarHBondContact O-N 3.13Å
411	D	88.6	Confident	91.4	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.203	24%	0.239	C	C	.	.			trans	-65.7	136.9	171.7	-75.6	-26	0	0	0	110.3	K394 I407 K408	K394-D411 WeakPolarHBondContact CE-OD2 3.28Å; K394-D411 VanDerWaalsContact NZ-CG 3.34Å; K394-D411 IonicContact NZ-OD1 3.99Å; K394-D411 PolarHBondContact NZ-OD1 2.89Å; K394-D411 IonicContact NZ-OD2 2.83Å; K394-D411 PolarHBondContact NZ-OD2 2.99Å; I407-D411 HydrophobicContact CG2-CB 3.83Å; K408-D411 PolarHBondContact N-OD2 2.68Å; K408-D411 VanDerWaalsContact O-CB 3.26Å; K408-D411 WeakPolarHBondContact O-CB 3.37Å; K408-D411 PolarHBondContact O-N 3.3Å
412	T	91	Very high	91.3	Very high	72 Å²	72	39.3 Å²	39.3	44%	0.442	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.4	176.5	-56	0	0	0	0	110.2	L89 T124 F125 R126	L89-T412 HydrophobicContact CD1-CG2 4.4Å; T124-T412 HydrophobicContact CG2-CG2 3.19Å; F125-T412 WeakPolarHBondContact O-CA 3.3Å; R126-T412 WeakPolarHBondContact CD-OG1 3.16Å
413	I	93.9	Very high	91.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.3	-178.3	-54.4	-63.7	0	0	0	109.2	T124 F125 I373 C393 K394 I407 F415	T124-I413 WeakPolarHBondContact CA-O 3.23Å; F125-I413 PolarHBondContact N-O 3.45Å; F125-I413 PolarHBondContact O-N 3.11Å; I373-I413 HydrophobicContact CD1-CG1 4.17Å; C393-I413 WeakPolarHBondContact O-CD1 3.35Å; K394-I413 HydrophobicContact CG-CD1 3.9Å; I407-I413 HydrophobicContact CD1-CD1 3.69Å; I407-I413 HydrophobicContact CD1-CG1 3.93Å; I413-F415 HydrophobicContact CB-CE2 4.32Å; I413-F415 HydrophobicContact CG2-CD2 4.18Å; I413-F415 HydrophobicContact CG2-CE2 3.66Å; I413-F415 HydrophobicContact CG2-CZ 4.04Å
414	T	95.2	Very high	91.1	Very high	61 Å²	61	43.1 Å²	43.1	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129	175.9	-54.3	0	0	0	0	110.1	D122 V123 T124 T391	D122-T414 HydrophobicContact CB-CG2 3.76Å; V123-T414 CarbonylContact O-C 3.57Å; V123-T414 WeakPolarHBondContact O-CA 3.3Å; T124-T414 PolarHBondContact OG1-OG1 3.38Å; T391-T414 WeakPolarHBondContact CB-O 3.41Å; T391-T414 PolarHBondContact OG1-O 3.35Å
415	F	97.2	Very high	91	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125	172.3	-67.7	-94	0	0	0	108.6	D122 V123 I373 M375 T391 I413 I417	D122-F415 CarbonylContact C-O 3.52Å; D122-F415 WeakPolarHBondContact CA-O 3.44Å; V123-F415 PolarHBondContact N-O 3.4Å; V123-F415 PolarHBondContact O-N 3.16Å; I373-F415 HydrophobicContact CG2-CE2 4.15Å; I373-F415 HydrophobicContact CG2-CZ 3.96Å; M375-F415 HydrophobicContact CG-CD1 3.87Å; M375-F415 HydrophobicContact CG-CD2 3.92Å; M375-F415 HydrophobicContact CG-CE1 3.7Å; M375-F415 HydrophobicContact CG-CE2 3.75Å; M375-F415 HydrophobicContact CG-CG 3.98Å; M375-F415 HydrophobicContact CG-CZ 3.64Å; M375-F415 HydrophobicContact SD-CD2 4.38Å; M375-F415 HydrophobicContact SD-CE2 4.21Å; T391-F415 HydrophobicContact CG2-CD1 3.74Å; T391-F415 HydrophobicContact CG2-CE1 3.58Å; T391-F415 HydrophobicContact CG2-CZ 4.41Å; I413-F415 HydrophobicContact CB-CE2 4.32Å; I413-F415 HydrophobicContact CG2-CD2 4.18Å; I413-F415 HydrophobicContact CG2-CE2 3.66Å; I413-F415 HydrophobicContact CG2-CZ 4.04Å; F415-I417 HydrophobicContact CB-CG1 4.41Å
416	N	96.9	Very high	90.9	Very high	50 Å²	50	50.2 Å²	50.2	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.9	167.1	-175.4	-88.9	0	0	0	108.1	D122 S390	D122-N416 WeakPolarHBondContact OD1-CA 3.36Å; D122-N416 WeakPolarHBondContact OD1-CB 3.37Å; D122-N416 PolarHBondContact OD1-ND2 2.86Å; S390-N416 PolarHBondContact N-O 2.8Å; S390-N416 PolarHBondContact O-N 2.79Å; S390-N416 PolarHBondContact OG-O 2.04Å
417	I	97.3	Very high	91	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.7	-177.1	-56.4	-171.6	0	0	0	108.1	S120 F121 V123 I387 S388 Y389 F415 I434	S120-I417 CarbonylContact C-O 3.57Å; S120-I417 WeakPolarHBondContact CA-O 3.43Å; F121-I417 HydrophobicContact CD2-CB 4.4Å; F121-I417 HydrophobicContact CE1-CB 4.45Å; F121-I417 HydrophobicContact CE1-CG2 4.32Å; F121-I417 HydrophobicContact CE2-CB 3.84Å; F121-I417 HydrophobicContact CE2-CD1 4.15Å; F121-I417 HydrophobicContact CE2-CG1 4.4Å; F121-I417 HydrophobicContact CE2-CG2 4.16Å; F121-I417 HydrophobicContact CZ-CB 3.85Å; F121-I417 HydrophobicContact CZ-CG2 3.7Å; F121-I417 PolarHBondContact N-O 2.99Å; F121-I417 PolarHBondContact O-N 3.03Å; V123-I417 HydrophobicContact CB-CD1 4.07Å; V123-I417 HydrophobicContact CG2-CD1 3.45Å; V123-I417 VanDerWaalsContact CG2-CD1 3.45Å; V123-I417 HydrophobicContact CG2-CG1 4.05Å; I387-I417 HydrophobicContact CD1-CG2 3.67Å; I387-I417 HydrophobicContact CG1-CG2 3.72Å; S388-I417 WeakPolarHBondContact O-CA 3.5Å; Y389-I417 HydrophobicContact CD1-CD1 4.27Å; Y389-I417 HydrophobicContact CD1-CG1 4.03Å; Y389-I417 HydrophobicContact CE1-CD1 3.93Å; Y389-I417 HydrophobicContact CE1-CG1 4.17Å; F415-I417 HydrophobicContact CB-CG1 4.41Å; I417-I434 HydrophobicContact CD1-CD1 3.76Å; I417-I434 HydrophobicContact CD1-CG2 3.99Å; I417-I434 HydrophobicContact CG2-CD1 4.1Å
418	S	96.5	Very high	91.1	Very high	21 Å²	21	55.8 Å²	55.8	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.5	174.6	-50.1	0	0	0	0	110.2	L119 S120 I387 S388	L119-S418 CarbonylContact O-C 3.55Å; L119-S418 WeakPolarHBondContact O-CA 3.45Å; S120-S418 WeakPolarHBondContact OG-CB 2.99Å; S120-S418 PolarHBondContact OG-OG 3.43Å; I387-S418 CarbonylContact C-O 3.4Å; I387-S418 WeakPolarHBondContact CA-O 3.47Å; S388-S418 PolarHBondContact N-O 2.72Å; S388-S418 PolarHBondContact O-N 2.65Å
419	L	96.2	Very high	91.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.2	173.3	-75.7	174.6	0	0	0	110.6	I111 M113 I118 L119 F121 V385 Q386 I387 I432 I445	I111-L419 HydrophobicContact CD1-CD1 3.5Å; M113-L419 HydrophobicContact CE-CB 4.21Å; I118-L419 WeakPolarHBondContact CA-O 3.44Å; L119-L419 PolarHBondContact N-O 3.3Å; L119-L419 PolarHBondContact O-N 2.66Å; F121-L419 HydrophobicContact CE1-CD1 3.75Å; F121-L419 HydrophobicContact CE1-CG 4.09Å; F121-L419 HydrophobicContact CZ-CD1 4.08Å; F121-L419 HydrophobicContact CZ-CG 4.45Å; V385-L419 HydrophobicContact CG1-CD2 4.39Å; Q386-L419 WeakPolarHBondContact O-CA 3.37Å; I387-L419 HydrophobicContact CB-CD2 3.85Å; I387-L419 HydrophobicContact CD1-CD2 3.79Å; I387-L419 HydrophobicContact CG1-CD2 3.74Å; L419-I432 HydrophobicContact CD2-CD1 4.24Å; L419-I445 HydrophobicContact CD1-CD1 3.98Å; L419-I445 HydrophobicContact CD1-CG2 4.14Å
420	E	95.1	Very high	92.3	Very high	56 Å²	56	52.5 Å²	52.5	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.2	174.9	-177.6	-175.3	165.2	0	0	109.7	I118 V385 Q386 T422	I118-E420 HydrophobicContact CG1-CB 4.19Å; I118-E420 HydrophobicContact CG1-CG 4.05Å; V385-E420 CarbonylContact C-O 3.19Å; Q386-E420 HydrophobicContact CB-CB 4.44Å; Q386-E420 PolarHBondContact N-O 3Å; Q386-E420 PolarHBondContact O-N 3.49Å; E420-T422 HydrophobicContact CG-CG2 4.48Å
421	V	94.1	Very high	93.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	106.2	168.3	171.4	0	0	0	0	107.3	M113 P115 K116 G384 V385 R423 L447 V449	M113-V421 HydrophobicContact CE-CB 4Å; M113-V421 HydrophobicContact CE-CG2 3.44Å; M113-V421 VanDerWaalsContact CE-CG2 3.44Å; M113-V421 VanDerWaalsContact CE-N 3.32Å; P115-V421 CarbonylContact C-O 3.51Å; P115-V421 WeakPolarHBondContact CA-O 3.42Å; P115-V421 HydrophobicContact CB-CG1 4.34Å; P115-V421 HydrophobicContact CG-CG1 4.42Å; K116-V421 PolarHBondContact N-O 3.5Å; G384-V421 CarbonylContact O-C 2.96Å; G384-V421 WeakPolarHBondContact O-CA 3.46Å; V385-V421 HydrophobicContact CG2-CG2 4.43Å; V421-R423 WeakPolarHBondContact CG1-O 2.94Å; V421-L447 HydrophobicContact CG2-CD2 4.11Å; V421-V449 HydrophobicContact CG1-CG1 3.7Å; V421-V449 HydrophobicContact CG1-CG2 4.31Å; V421-V449 HydrophobicContact CG2-CG1 4.36Å; V421-V449 HydrophobicContact CG2-CG2 3.87Å
422	T	92.6	Very high	93.4	Very high	38 Å²	38	52.7 Å²	52.7	23%	0.233	26%	0.26	C	S	.	.			trans	-70.1	-34.7	-178	57.1	0	0	0	0	113.8	G384 Q386 E420	G384-T422 VanDerWaalsContact CA-OG1 3.3Å; G384-T422 WeakPolarHBondContact CA-OG1 3.43Å; G384-T422 PolarHBondContact O-N 3.05Å; G384-T422 PolarHBondContact O-OG1 3.48Å; Q386-T422 HydrophobicContact CG-CG2 3.84Å; E420-T422 HydrophobicContact CG-CG2 4.48Å
423	R	90.2	Very high	93.6	Very high	148 Å²	148	55.4 Å²	55.4	56%	0.558	26%	0.262	S	S	*	.	S	Bend	trans	-158.1	159.6	-177.1	64.1	-179.1	178.5	-177.8	0.2	111.6	S382 V421	S382-R423 PolarHBondContact O-NH2 3.06Å; V421-R423 WeakPolarHBondContact CG1-O 2.94Å
424	C	89.6	Confident	93.7	Very high	31 Å²	31	55.3 Å²	55.3	21%	0.209	26%	0.261	C	S	.	.			trans	-76.1	133.2	169.9	-75.2	0	0	0	0	111.6	Q36 P115 C451	Q36-C424 VanDerWaalsContact CG-SG 3.55Å; P115-C424 WeakPolarHBondContact CG-SG 3.42Å; C424-C451 HydrophobicContact CB-CB 4Å; C424-C451 WeakPolarHBondContact CB-SG 3.35Å; C424-C451 WeakPolarHBondContact SG-CB 3.35Å; C424-C451 CovalentContact SG-SG 2.02Å; C424-C451 PolarHBondContact SG-SG 3.4Å
425	T	89.4	Confident	93.5	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.202	25%	0.245	C	C	.	.			trans	-119.9	166.3	171.6	53.4	0	0	0	0	110.3	Q383 Q427 R428	Q383-T425 WeakPolarHBondContact O-CG2 3.44Å; Q383-T425 PolarHBondContact O-OG1 2.91Å; T425-Q427 PolarHBondContact O-N 2.83Å; T425-Q427 PolarHBondContact OG1-O 3.43Å; T425-R428 PolarHBondContact O-NH1 2.91Å
426	E	87.3	Confident	93.2	Very high	199 Å²	199	52.7 Å²	52.7	93%	0.93	25%	0.246	S	C	*	.	S	Bend	trans	-55.5	-38.5	175	-65.1	-175.7	167.9	0	0	112.1	R428	E426-R428 PolarHBondContact O-N 3.09Å
427	Q	88.9	Confident	92.7	Very high	87 Å²	87	51.5 Å²	51.5	41%	0.407	24%	0.242	S	C	.	.			trans	-70	119.4	169	-173.6	173.2	-8.2	0	0	110	T425 E429 F430	T425-Q427 PolarHBondContact O-N 2.83Å; T425-Q427 PolarHBondContact OG1-O 3.43Å; Q427-E429 WeakPolarHBondContact CG-O 3.42Å; Q427-E429 PolarHBondContact NE2-O 3.16Å; Q427-F430 HydrophobicContact CB-CE1 4.25Å; Q427-F430 HydrophobicContact CB-CZ 4.04Å; Q427-F430 HydrophobicContact CG-CD1 4.28Å; Q427-F430 HydrophobicContact CG-CE1 3.8Å; Q427-F430 HydrophobicContact CG-CE2 4.37Å; Q427-F430 HydrophobicContact CG-CZ 3.87Å; Q427-F430 WeakPolarHBondContact O-CE2 3.26Å; Q427-F430 WeakPolarHBondContact O-CZ 3.4Å
428	R	89.8	Confident	92.2	Very high	76 Å²	76	51.6 Å²	51.6	29%	0.287	24%	0.243	S	C	.	.			trans	-103.4	-24.3	179.6	-58.8	-55.9	-154.8	-149.1	6.2	113.8	T425 E426 V449 C451 D452	T425-R428 PolarHBondContact O-NH1 2.91Å; E426-R428 PolarHBondContact O-N 3.09Å; R428-V449 PolarHBondContact O-N 2.84Å; R428-C451 VanDerWaalsContact CZ-SG 3.59Å; R428-C451 PolarHBondContact NH1-SG 3.31Å; R428-C451 VanDerWaalsContact NH1-SG 3.38Å; R428-C451 VanDerWaalsContact NH2-CB 3.3Å; R428-D452 IonicContact CZ-OD1 2.79Å; R428-D452 IonicContact NE-OD2 2.76Å; R428-D452 IonicContact NH2-OD1 2.92Å; R428-D452 PolarHBondContact NH2-OD1 2.97Å; R428-D452 IonicContact NH2-OD2 2.75Å
429	E	94.2	Very high	91.7	Very high	138 Å²	138	50.7 Å²	50.7	65%	0.645	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.7	-177.6	-59.3	-175	153.3	0	0	109.9	Q427 L447	Q427-E429 WeakPolarHBondContact CG-O 3.42Å; Q427-E429 PolarHBondContact NE2-O 3.16Å; E429-L447 CarbonylContact C-O 3.44Å; E429-L447 WeakPolarHBondContact CA-O 3.43Å
430	F	94.5	Very high	91.3	Very high	15 Å²	15	51.8 Å²	51.8	7%	0.066	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	-179	-59.4	-93.1	0	0	0	110	Q383 V385 Q427 I432 L447 V449	Q383-F430 HydrophobicContact CB-CE1 3.99Å; V385-F430 HydrophobicContact CG2-CD1 4.35Å; V385-F430 HydrophobicContact CG2-CD2 4.29Å; V385-F430 HydrophobicContact CG2-CE1 4.27Å; V385-F430 HydrophobicContact CG2-CE2 4.2Å; V385-F430 HydrophobicContact CG2-CG 4.36Å; V385-F430 HydrophobicContact CG2-CZ 4.18Å; Q427-F430 HydrophobicContact CB-CE1 4.25Å; Q427-F430 HydrophobicContact CB-CZ 4.04Å; Q427-F430 HydrophobicContact CG-CD1 4.28Å; Q427-F430 HydrophobicContact CG-CE1 3.8Å; Q427-F430 HydrophobicContact CG-CE2 4.37Å; Q427-F430 HydrophobicContact CG-CZ 3.87Å; Q427-F430 WeakPolarHBondContact O-CE2 3.26Å; Q427-F430 WeakPolarHBondContact O-CZ 3.4Å; F430-I432 HydrophobicContact CB-CG1 4.32Å; F430-L447 HydrophobicContact CB-CB 4.17Å; F430-L447 HydrophobicContact CB-CD2 4.38Å; F430-L447 HydrophobicContact CD2-CD2 4.22Å; F430-L447 HydrophobicContact CD2-CG 4.39Å; F430-L447 PolarHBondContact N-O 2.79Å; F430-L447 PolarHBondContact O-N 2.76Å; F430-V449 HydrophobicContact CD2-CG2 3.92Å; F430-V449 HydrophobicContact CE2-CG2 3.65Å
431	L	96.1	Very high	91	Very high	72 Å²	72	50 Å²	50	38%	0.377	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	95.5	170.3	-171.1	70	0	0	0	108.6	N378 I444 R446	N378-L431 PolarHBondContact ND2-O 2.83Å; N378-L431 VanDerWaalsContact ND2-O 3.1Å; L431-I444 HydrophobicContact CD1-CG2 3.49Å; L431-I444 VanDerWaalsContact CD1-CG2 3.49Å; L431-I444 HydrophobicContact CG-CG2 4.49Å; L431-R446 HydrophobicContact CD1-CG 4.23Å
432	I	96	Very high	90.9	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.3	179.5	-57.9	162.9	0	0	0	108.3	N378 V379 V385 L419 F430 I434 I445 L447	N378-I432 VanDerWaalsContact OD1-CA 3.29Å; N378-I432 WeakPolarHBondContact OD1-CA 3.42Å; V379-I432 HydrophobicContact CG2-CB 4.43Å; V379-I432 HydrophobicContact CG2-CD1 4.03Å; V379-I432 HydrophobicContact CG2-CG1 4.08Å; V379-I432 HydrophobicContact CG2-CG2 3.52Å; V385-I432 HydrophobicContact CG1-CD1 4.05Å; L419-I432 HydrophobicContact CD2-CD1 4.24Å; F430-I432 HydrophobicContact CB-CG1 4.32Å; I432-I434 HydrophobicContact CG2-CD1 4.34Å; I432-I434 HydrophobicContact CG2-CG1 3.91Å; I432-I445 HydrophobicContact CB-CB 4.03Å; I432-I445 HydrophobicContact CG2-CD1 4.37Å; I432-I445 PolarHBondContact N-O 2.91Å; I432-I445 PolarHBondContact O-N 2.93Å; I432-L447 HydrophobicContact CD1-CB 4.32Å; I432-L447 HydrophobicContact CD1-CD2 3.9Å
433	R	94.9	Very high	91.1	Very high	129 Å²	129	50.1 Å²	50.1	49%	0.487	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.9	176.8	-66	-177.6	175.6	115.3	-3.1	108.1	D377 N378 L443	D377-R433 VanDerWaalsContact CA-O 3.27Å; D377-R433 WeakPolarHBondContact CA-O 3.38Å; N378-R433 PolarHBondContact N-O 2.88Å; N378-R433 PolarHBondContact OD1-N 3.05Å; N378-R433 PolarHBondContact OD1-O 2.81Å; R433-L443 WeakPolarHBondContact CA-O 3.44Å
434	I	94.8	Very high	91.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.7	178.8	-50.2	-175.9	0	0	0	108.6	M375 V376 D377 I387 Y389 I417 I432 V442 L443 I445	M375-I434 HydrophobicContact CE-CG2 3.76Å; V376-I434 WeakPolarHBondContact O-CA 3.12Å; D377-I434 HydrophobicContact CB-CG1 4.07Å; I387-I434 HydrophobicContact CD1-CD1 3.39Å; I387-I434 HydrophobicContact CD1-CG1 4.25Å; Y389-I434 HydrophobicContact CE1-CG2 4.02Å; I417-I434 HydrophobicContact CD1-CD1 3.76Å; I417-I434 HydrophobicContact CD1-CG2 3.99Å; I417-I434 HydrophobicContact CG2-CD1 4.1Å; I432-I434 HydrophobicContact CG2-CD1 4.34Å; I432-I434 HydrophobicContact CG2-CG1 3.91Å; I434-V442 CarbonylContact O-C 3.49Å; I434-V442 VanDerWaalsContact O-CA 3.31Å; I434-V442 WeakPolarHBondContact O-CA 3.47Å; I434-L443 HydrophobicContact CB-CB 4.44Å; I434-L443 PolarHBondContact N-O 3.48Å; I434-L443 PolarHBondContact O-N 2.81Å; I434-I445 HydrophobicContact CD1-CD1 3.45Å; I434-I445 VanDerWaalsContact CD1-CD1 3.45Å; I434-I445 HydrophobicContact CD1-CG1 4.49Å; I434-I445 HydrophobicContact CG1-CD1 4.09Å
435	G	92.8	Very high	91.8	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	169.8	175.8	0	0	0	0	0	112.7	V376	V376-G435 VanDerWaalsContact CG2-O 3.32Å; V376-G435 WeakPolarHBondContact CG2-O 3.22Å; V376-G435 PolarHBondContact N-O 2.91Å; V376-G435 PolarHBondContact O-N 2.91Å
436	P	90.8	Very high	92.2	Very high	4 Å²	4	48 Å²	48	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.5	171.4	24.4	-28.3	0	0	0	110.8	F125 I373 V374 M375 G438 L439 D441	F125-P436 HydrophobicContact CD2-CG 3.98Å; F125-P436 HydrophobicContact CE2-CB 4.39Å; F125-P436 HydrophobicContact CE2-CG 3.61Å; F125-P436 HydrophobicContact CZ-CG 4.2Å; I373-P436 HydrophobicContact CG2-CB 4.21Å; V374-P436 CarbonylContact O-C 3.53Å; V374-P436 WeakPolarHBondContact O-CA 3.47Å; M375-P436 HydrophobicContact SD-CB 4.31Å; P436-G438 PolarHBondContact O-N 2.75Å; P436-L439 HydrophobicContact CB-CD1 4.13Å; P436-L439 HydrophobicContact CG-CB 3.96Å; P436-L439 HydrophobicContact CG-CD1 3.69Å; P436-L439 HydrophobicContact CG-CG 4.41Å; P436-L439 PolarHBondContact O-N 3.2Å; P436-D441 WeakPolarHBondContact CD-O 3.44Å
437	S	86.4	Confident	92.6	Very high	25 Å²	25	38.5 Å²	38.5	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.4	174	-172.9	0	0	0	0	110.8	E343 V374	E343-S437 PolarHBondContact O-OG 2.85Å; V374-S437 PolarHBondContact O-N 2.74Å
438	G	84.9	Confident	92.9	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	11.6	178.3	0	0	0	0	0	115.7	Q319 N321 P436	Q319-G438 CarbonylContact O-C 3.56Å; Q319-G438 WeakPolarHBondContact O-CA 3.34Å; N321-G438 PolarHBondContact ND2-O 3.2Å; P436-G438 PolarHBondContact O-N 2.75Å
439	L	87.5	Confident	93.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-134.6	151.4	177	-75.2	176.3	0	0	0	110.2	F125 Y131 R259 Q319 P436	F125-L439 HydrophobicContact CE2-CD1 3.96Å; F125-L439 HydrophobicContact CZ-CD1 3.74Å; Y131-L439 HydrophobicContact CD1-CD2 4.21Å; Y131-L439 HydrophobicContact CE1-CD2 3.6Å; R259-L439 HydrophobicContact CB-CD2 4.2Å; Q319-L439 PolarHBondContact NE2-O 2.92Å; P436-L439 HydrophobicContact CB-CD1 4.13Å; P436-L439 HydrophobicContact CG-CB 3.96Å; P436-L439 HydrophobicContact CG-CD1 3.69Å; P436-L439 HydrophobicContact CG-CG 4.41Å; P436-L439 PolarHBondContact O-N 3.2Å
440	S	86.5	Confident	93.1	Very high	23 Å²	23	29.3 Å²	29.3	16%	0.161	14%	0.143	C	C	.	.	S	Bend	trans	-82.5	-18.9	-178.3	55.2	0	0	0	0	114.6	Y131 E256 K257 V442	Y131-S440 PolarHBondContact OH-OG 3.37Å; E256-S440 VanDerWaalsContact O-CB 3.27Å; E256-S440 WeakPolarHBondContact O-CB 3.41Å; E256-S440 PolarHBondContact O-OG 3Å; K257-S440 WeakPolarHBondContact CA-OG 3.01Å; S440-V442 PolarHBondContact O-N 2.8Å
441	D	88.9	Confident	92.9	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.091	14%	0.14	C	C	.	.			trans	-62.6	124.6	178.5	-64.4	-103.8	0	0	0	110.4	Q103 L104 Y131 P436	Q103-D441 HydrophobicContact CB-CB 4.49Å; Q103-D441 PolarHBondContact NE2-OD2 2.87Å; L104-D441 VanDerWaalsContact CD1-C 3.49Å; L104-D441 HydrophobicContact CD1-CB 3.96Å; L104-D441 VanDerWaalsContact CD1-O 3.3Å; L104-D441 WeakPolarHBondContact CD1-O 3.37Å; L104-D441 HydrophobicContact CG-CB 4.24Å; Y131-D441 PolarHBondContact OH-OD2 2.86Å; P436-D441 WeakPolarHBondContact CD-O 3.44Å
442	V	92.7	Very high	92.5	Very high	42 Å²	42	28.9 Å²	28.9	26%	0.255	14%	0.142	S	C	.	.			trans	-136.9	142.9	178	-64	0	0	0	0	111.2	I434 S440 I444	I434-V442 CarbonylContact O-C 3.49Å; I434-V442 VanDerWaalsContact O-CA 3.31Å; I434-V442 WeakPolarHBondContact O-CA 3.47Å; S440-V442 PolarHBondContact O-N 2.8Å; V442-I444 HydrophobicContact CG2-CG1 4.35Å
443	L	96.4	Very high	92.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.9	158.9	166.3	64.4	0	0	0	108.7	P106 I109 F121 V123 R433 I434 I445	P106-L443 HydrophobicContact CG-CD1 4.17Å; P106-L443 WeakPolarHBondContact O-CD1 3.22Å; I109-L443 HydrophobicContact CD1-CD1 4.47Å; I109-L443 HydrophobicContact CD1-CD2 4.27Å; I109-L443 HydrophobicContact CG1-CD1 4.19Å; I109-L443 HydrophobicContact CG2-CD1 4.12Å; F121-L443 HydrophobicContact CE2-CD2 3.72Å; V123-L443 HydrophobicContact CG2-CD2 3.48Å; V123-L443 VanDerWaalsContact CG2-CD2 3.48Å; R433-L443 WeakPolarHBondContact CA-O 3.44Å; I434-L443 HydrophobicContact CB-CB 4.44Å; I434-L443 PolarHBondContact N-O 3.48Å; I434-L443 PolarHBondContact O-N 2.81Å; L443-I445 HydrophobicContact CD1-CG1 4.49Å; L443-I445 HydrophobicContact CD2-CD1 4.05Å; L443-I445 HydrophobicContact CD2-CG1 4.01Å; L443-I445 HydrophobicContact CG-CD1 4.44Å; L443-I445 HydrophobicContact CG-CG1 3.89Å
444	I	97.3	Very high	91.7	Very high	47 Å²	47	24.8 Å²	24.8	24%	0.241	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.4	172.6	-60.8	176.9	0	0	0	109.1	Q107 E108 I109 L431 V442	Q107-I444 PolarHBondContact O-N 2.82Å; E108-I444 CarbonylContact C-O 3.55Å; E108-I444 VanDerWaalsContact CA-O 3.26Å; E108-I444 WeakPolarHBondContact CA-O 3.38Å; E108-I444 HydrophobicContact CG-CB 4.16Å; E108-I444 HydrophobicContact CG-CG2 4.27Å; I109-I444 PolarHBondContact N-O 3.34Å; L431-I444 HydrophobicContact CD1-CG2 3.49Å; L431-I444 VanDerWaalsContact CD1-CG2 3.49Å; L431-I444 HydrophobicContact CG-CG2 4.49Å; V442-I444 HydrophobicContact CG2-CG1 4.35Å
445	I	97.5	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.8	176.1	-50.7	-174.6	0	0	0	108.1	I109 I111 F121 L419 I432 I434 L443 L447	I109-I445 HydrophobicContact CD1-CB 4.31Å; I109-I445 HydrophobicContact CD1-CD1 3.84Å; I109-I445 HydrophobicContact CD1-CG1 3.68Å; I109-I445 HydrophobicContact CD1-CG2 4.09Å; I109-I445 HydrophobicContact CG1-CB 3.95Å; I109-I445 HydrophobicContact CG1-CD1 4.38Å; I109-I445 HydrophobicContact CG1-CG1 3.66Å; I109-I445 HydrophobicContact CG1-CG2 3.9Å; I109-I445 WeakPolarHBondContact O-CA 3.44Å; I111-I445 HydrophobicContact CD1-CG2 3.45Å; I111-I445 VanDerWaalsContact CD1-CG2 3.45Å; I111-I445 HydrophobicContact CG1-CG2 3.98Å; F121-I445 HydrophobicContact CE1-CD1 4.39Å; F121-I445 HydrophobicContact CE2-CD1 4.1Å; F121-I445 HydrophobicContact CZ-CD1 3.49Å; F121-I445 VanDerWaalsContact CZ-CD1 3.49Å; L419-I445 HydrophobicContact CD1-CD1 3.98Å; L419-I445 HydrophobicContact CD1-CG2 4.14Å; I432-I445 HydrophobicContact CB-CB 4.03Å; I432-I445 HydrophobicContact CG2-CD1 4.37Å; I432-I445 PolarHBondContact N-O 2.91Å; I432-I445 PolarHBondContact O-N 2.93Å; I434-I445 HydrophobicContact CD1-CD1 3.45Å; I434-I445 VanDerWaalsContact CD1-CD1 3.45Å; I434-I445 HydrophobicContact CD1-CG1 4.49Å; I434-I445 HydrophobicContact CG1-CD1 4.09Å; L443-I445 HydrophobicContact CD1-CG1 4.49Å; L443-I445 HydrophobicContact CD2-CD1 4.05Å; L443-I445 HydrophobicContact CD2-CG1 4.01Å; L443-I445 HydrophobicContact CG-CD1 4.44Å; L443-I445 HydrophobicContact CG-CG1 3.89Å; I445-L447 HydrophobicContact CG2-CB 4.43Å
446	R	97.7	Very high	90.3	Very high	121 Å²	121	27.9 Å²	27.9	46%	0.457	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	97.8	170	-62	-177.3	-173.3	-89.2	-5.7	108.7	E108 I109 M110 I111 L431	E108-R446 IonicContact OE1-CZ 3.87Å; E108-R446 VanDerWaalsContact OE1-CZ 3.23Å; E108-R446 IonicContact OE1-NE 2.61Å; E108-R446 PolarHBondContact OE1-NE 3.48Å; E108-R446 IonicContact OE1-NH2 2.91Å; E108-R446 PolarHBondContact OE1-NH2 2.99Å; I109-R446 PolarHBondContact O-N 3.1Å; M110-R446 WeakPolarHBondContact CA-O 3.41Å; M110-R446 HydrophobicContact CG-CB 4.47Å; I111-R446 PolarHBondContact N-O 3.22Å; L431-R446 HydrophobicContact CD1-CG 4.23Å
447	L	96.4	Very high	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.4	-179	170.2	66.4	0	0	0	110.2	I111 M113 V385 V421 E429 F430 I432 I445 V449	I111-L447 HydrophobicContact CB-CD1 4Å; I111-L447 HydrophobicContact CG2-CD1 3.65Å; I111-L447 CarbonylContact O-C 3.6Å; I111-L447 WeakPolarHBondContact O-CA 3.26Å; M113-L447 HydrophobicContact CB-CD1 4.03Å; V385-L447 HydrophobicContact CG1-CD2 3.99Å; V385-L447 HydrophobicContact CG2-CD2 3.98Å; V421-L447 HydrophobicContact CG2-CD2 4.11Å; E429-L447 CarbonylContact C-O 3.44Å; E429-L447 WeakPolarHBondContact CA-O 3.43Å; F430-L447 HydrophobicContact CB-CB 4.17Å; F430-L447 HydrophobicContact CB-CD2 4.38Å; F430-L447 HydrophobicContact CD2-CD2 4.22Å; F430-L447 HydrophobicContact CD2-CG 4.39Å; F430-L447 PolarHBondContact N-O 2.79Å; F430-L447 PolarHBondContact O-N 2.76Å; I432-L447 HydrophobicContact CD1-CB 4.32Å; I432-L447 HydrophobicContact CD1-CD2 3.9Å; I445-L447 HydrophobicContact CG2-CB 4.43Å; L447-V449 HydrophobicContact CD2-CG2 4.44Å; L447-V449 HydrophobicContact CG-CG2 4.24Å
448	N	95.5	Very high	87.7	Confident	53 Å²	53	36.4 Å²	36.4	28%	0.283	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.8	172.5	-67.7	-7.3	0	0	0	109.1	I111 T112 M113	I111-N448 PolarHBondContact O-N 3.45Å; T112-N448 CarbonylContact C-O 3.54Å; T112-N448 VanDerWaalsContact CA-O 3.27Å; T112-N448 WeakPolarHBondContact CA-O 3.32Å; T112-N448 HydrophobicContact CG2-CB 4.19Å; M113-N448 PolarHBondContact N-O 3.04Å
449	V	94.3	Very high	86.1	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123	-177.4	-174.1	0	0	0	0	110.6	M113 P115 V421 R428 F430 L447 C451	M113-V449 WeakPolarHBondContact O-CA 3.49Å; P115-V449 HydrophobicContact CG-CG1 4.48Å; V421-V449 HydrophobicContact CG1-CG1 3.7Å; V421-V449 HydrophobicContact CG1-CG2 4.31Å; V421-V449 HydrophobicContact CG2-CG1 4.36Å; V421-V449 HydrophobicContact CG2-CG2 3.87Å; R428-V449 PolarHBondContact O-N 2.84Å; F430-V449 HydrophobicContact CD2-CG2 3.92Å; F430-V449 HydrophobicContact CE2-CG2 3.65Å; L447-V449 HydrophobicContact CD2-CG2 4.44Å; L447-V449 HydrophobicContact CG-CG2 4.24Å; V449-C451 WeakPolarHBondContact CG1-SG 3.33Å; V449-C451 PolarHBondContact O-N 2.85Å; V449-C451 VanDerWaalsContact O-N 3.12Å
450	L	92.7	Very high	84.2	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	28%	0.275	C	S	.	.			trans	-84.1	83	-179.9	-60.8	174.6	0	0	0	110.5	P77 K78 M113 R114 P115	P77-L450 HydrophobicContact CB-CB 4.18Å; P77-L450 HydrophobicContact CB-CD1 3.87Å; P77-L450 HydrophobicContact CB-CG 4.47Å; K78-L450 WeakPolarHBondContact O-CD1 3.32Å; M113-L450 PolarHBondContact O-N 3.01Å; R114-L450 HydrophobicContact CG-CB 3.95Å; R114-L450 HydrophobicContact CG-CD1 4.32Å; P115-L450 WeakPolarHBondContact CD-O 3.28Å
451	C	90.3	Very high	82.5	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.007	31%	0.305	C	S	.	.			trans	-98.8	-18.8	177.3	-66.1	0	0	0	0	113.9	Q36 C424 R428 V449	Q36-C451 PolarHBondContact NE2-O 3.14Å; C424-C451 HydrophobicContact CB-CB 4Å; C424-C451 WeakPolarHBondContact CB-SG 3.35Å; C424-C451 WeakPolarHBondContact SG-CB 3.35Å; C424-C451 CovalentContact SG-SG 2.02Å; C424-C451 PolarHBondContact SG-SG 3.4Å; R428-C451 VanDerWaalsContact CZ-SG 3.59Å; R428-C451 PolarHBondContact NH1-SG 3.31Å; R428-C451 VanDerWaalsContact NH1-SG 3.38Å; R428-C451 VanDerWaalsContact NH2-CB 3.3Å; V449-C451 WeakPolarHBondContact CG1-SG 3.33Å; V449-C451 PolarHBondContact O-N 2.85Å; V449-C451 VanDerWaalsContact O-N 3.12Å
452	D	88.2	Confident	81.2	Confident	78 Å²	78	55.5 Å²	55.5	42%	0.417	30%	0.304	S	S	.	.	S	Bend	trans	-117.1	153.2	-168.2	-47.7	-47.7	0	0	0	109.9	R428	R428-D452 IonicContact CZ-OD1 2.79Å; R428-D452 IonicContact NE-OD2 2.76Å; R428-D452 IonicContact NH2-OD1 2.92Å; R428-D452 PolarHBondContact NH2-OD1 2.97Å; R428-D452 IonicContact NH2-OD2 2.75Å
453	C	88.9	Confident	80.3	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.027	31%	0.313	C	S	.	.			trans	-93.4	146.1	178.7	-68.6	0	0	0	0	112	C31 E75 C455 T456	C31-C453 HydrophobicContact CB-CB 3.76Å; C31-C453 WeakPolarHBondContact CB-SG 3.3Å; C31-C453 PolarHBondContact O-SG 3.07Å; C31-C453 VanDerWaalsContact O-SG 3.37Å; C31-C453 WeakPolarHBondContact SG-CB 3.24Å; C31-C453 CovalentContact SG-SG 2.02Å; C31-C453 PolarHBondContact SG-SG 2.9Å; E75-C453 HydrophobicContact CB-CB 4.36Å; E75-C453 HydrophobicContact CG-CB 4.2Å; C453-C455 WeakPolarHBondContact CB-SG 3.1Å; C453-C455 PolarHBondContact O-N 3.02Å; C453-T456 PolarHBondContact O-N 3.43Å; C453-T456 PolarHBondContact O-OG1 3.07Å
454	S	84.9	Confident	79.5	Confident	44 Å²	44	60.7 Å²	60.7	31%	0.308	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-65.9	-28.5	-177.7	80.7	0	0	0	0	112.2	E75 T456 S457 K458	E75-S454 PolarHBondContact OE1-OG 2.83Å; E75-S454 WeakPolarHBondContact OE2-CB 3.35Å; E75-S454 PolarHBondContact OE2-N 2.95Å; E75-S454 PolarHBondContact OE2-OG 3.01Å; S454-T456 PolarHBondContact O-N 2.95Å; S454-S457 PolarHBondContact O-N 3.05Å; S454-S457 VanDerWaalsContact O-N 3.15Å; S454-S457 PolarHBondContact O-OG 3.03Å; S454-K458 PolarHBondContact O-N 2.74Å; S454-K458 PolarHBondContact OG-NZ 3.15Å; S454-K458 VanDerWaalsContact OG-NZ 3.16Å
455	C	84.2	Confident	78.8	Confident	8 Å²	8	67.5 Å²	67.5	5%	0.054	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-50.9	-50.2	174.9	55.6	0	0	0	0	111.5	T45 E75 C453 S457 K458 S462 C478	T45-C455 HydrophobicContact CG2-CB 4.03Å; E75-C455 HydrophobicContact CG-CB 4.1Å; E75-C455 WeakPolarHBondContact OE1-CB 3.35Å; E75-C455 PolarHBondContact OE1-N 2.95Å; C453-C455 WeakPolarHBondContact CB-SG 3.1Å; C453-C455 PolarHBondContact O-N 3.02Å; C455-S457 PolarHBondContact O-N 3.29Å; C455-K458 PolarHBondContact O-N 3.35Å; C455-K458 VanDerWaalsContact O-N 3.08Å; C455-S462 VanDerWaalsContact C-CB 3.49Å; C455-S462 WeakPolarHBondContact O-CB 3.03Å; C455-S462 PolarHBondContact O-OG 3.45Å; C455-C478 HydrophobicContact CB-CB 3.93Å; C455-C478 WeakPolarHBondContact CB-SG 3.34Å; C455-C478 WeakPolarHBondContact SG-CB 3.48Å; C455-C478 CovalentContact SG-SG 2.02Å; C455-C478 PolarHBondContact SG-SG 3.41Å
456	T	74.1	Confident	78.3	Confident	61 Å²	61	69.3 Å²	69.3	37%	0.374	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23.4	-177	53.5	0	0	0	0	115	E32 C453 S454 V477	E32-T456 WeakPolarHBondContact OE1-CG2 3.46Å; C453-T456 PolarHBondContact O-N 3.43Å; C453-T456 PolarHBondContact O-OG1 3.07Å; S454-T456 PolarHBondContact O-N 2.95Å; T456-V477 HydrophobicContact CG2-CG1 4.1Å
457	S	66.3	Low	77.8	Confident	91 Å²	91	63.7 Å²	63.7	64%	0.636	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-93.7	-19.5	-179	69	0	0	0	0	115.1	S454 C455 P459	S454-S457 PolarHBondContact O-N 3.05Å; S454-S457 VanDerWaalsContact O-N 3.15Å; S454-S457 PolarHBondContact O-OG 3.03Å; C455-S457 PolarHBondContact O-N 3.29Å; S457-P459 WeakPolarHBondContact O-CD 3.12Å
458	K	56.7	Low	77.5	Confident	117 Å²	117	67.6 Å²	67.6	51%	0.509	38%	0.377	S	S	.	.			trans	-82.4	118.2	-174.3	-74.4	175.4	-175.7	161.6	0	111	S454 C455 L460 S462	S454-K458 PolarHBondContact O-N 2.74Å; S454-K458 PolarHBondContact OG-NZ 3.15Å; S454-K458 VanDerWaalsContact OG-NZ 3.16Å; C455-K458 PolarHBondContact O-N 3.35Å; C455-K458 VanDerWaalsContact O-N 3.08Å; K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 3.25Å; K458-S462 WeakPolarHBondContact O-CB 3.46Å; K458-S462 PolarHBondContact O-OG 2.03Å
459	P	50.8	Low	77.1	Confident	130 Å²	130	67.2 Å²	67.2	84%	0.844	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.5	-174.8	-13.2	20.6	0	0	0	114.9	S457	S457-P459 WeakPolarHBondContact O-CD 3.12Å
460	L	48	Very low	76.9	Confident	155 Å²	155	66.6 Å²	66.6	81%	0.812	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-21.9	-161.3	-139.5	80.3	0	0	0	115.1	K458	K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 3.25Å
461	N	50.8	Low	76.7	Confident	148 Å²	148	68.1 Å²	68.1	79%	0.791	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.9	3.9	-173.1	-79.2	-32.5	0	0	0	115.5
462	S	61.8	Low	76.7	Confident	12 Å²	12	75.8 Å²	75.8	8%	0.084	41%	0.406	C	S	.	.	S	Bend	trans	-104.7	-28	-161.6	66.4	0	0	0	0	117	C455 K458 L476 V477 C478	C455-S462 VanDerWaalsContact C-CB 3.49Å; C455-S462 WeakPolarHBondContact O-CB 3.03Å; C455-S462 PolarHBondContact O-OG 3.45Å; K458-S462 WeakPolarHBondContact O-CB 3.46Å; K458-S462 PolarHBondContact O-OG 2.03Å; S462-L476 CarbonylContact C-O 3.43Å; S462-V477 VanDerWaalsContact O-CA 3.25Å; S462-V477 WeakPolarHBondContact O-CA 3.36Å; S462-C478 PolarHBondContact O-N 2.98Å; S462-C478 VanDerWaalsContact O-N 3.1Å
463	L	73.1	Confident	76.8	Confident	83 Å²	83	73.7 Å²	73.7	44%	0.435	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	93.7	-179.6	-180	68.7	0	0	0	107.8	R465 D475 L476 V477	L463-R465 HydrophobicContact CG-CG 4.46Å; L463-D475 HydrophobicContact CD1-CB 3.85Å; L463-L476 VanDerWaalsContact CA-O 3.25Å; L463-L476 WeakPolarHBondContact CA-O 3.14Å; L463-V477 HydrophobicContact CD1-CG2 3.64Å
464	T	79.9	Confident	76.8	Confident	67 Å²	67	73.5 Å²	73.5	41%	0.411	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.4	169.3	-53.8	0	0	0	0	107.6	A467 D475 L476	T464-A467 HydrophobicContact CG2-CB 3.81Å; T464-A467 WeakPolarHBondContact O-CB 3.06Å; T464-D475 WeakPolarHBondContact O-CA 3.22Å; T464-L476 PolarHBondContact N-O 3.4Å; T464-L476 VanDerWaalsContact N-O 3.09Å; T464-L476 PolarHBondContact O-N 2.81Å
465	R	83.6	Confident	77	Confident	190 Å²	190	72.7 Å²	72.7	72%	0.717	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	140.3	175.6	-71.2	-172	-177.7	149.7	2	110.9	L463 A467 D475	L463-R465 HydrophobicContact CG-CG 4.46Å; R465-A467 PolarHBondContact O-N 3.09Å; R465-D475 WeakPolarHBondContact CA-OD1 3.47Å
466	A	86	Confident	77.2	Confident	38 Å²	38	73.2 Å²	73.2	31%	0.314	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	49	-176.4	0	0	0	0	0	111.2	S468 Y472 G474 D475 Y484	A466-S468 PolarHBondContact O-N 3.17Å; A466-Y472 WeakPolarHBondContact O-CD1 3.4Å; A466-G474 CarbonylContact C-O 3.59Å; A466-G474 WeakPolarHBondContact CA-O 3.45Å; A466-G474 PolarHBondContact N-O 3.48Å; A466-D475 PolarHBondContact N-OD1 2.92Å; A466-Y484 WeakPolarHBondContact CA-OH 3.38Å; A466-Y484 PolarHBondContact N-OH 3.34Å; A466-Y484 VanDerWaalsContact N-OH 3.1Å
467	A	87.6	Confident	77.9	Confident	3 Å²	3	71.7 Å²	71.7	3%	0.025	38%	0.379	C	S	.	.			trans	-61.4	136.8	-173.5	0	0	0	0	0	110.8	T464 R465 Y469 C470 N471 Y472 G474 L476	T464-A467 HydrophobicContact CG2-CB 3.81Å; T464-A467 WeakPolarHBondContact O-CB 3.06Å; R465-A467 PolarHBondContact O-N 3.09Å; A467-Y469 PolarHBondContact O-N 3.09Å; A467-C470 HydrophobicContact CB-CB 4.18Å; A467-C470 CarbonylContact O-C 3.46Å; A467-C470 VanDerWaalsContact O-C 3.31Å; A467-C470 WeakPolarHBondContact O-CA 3.35Å; A467-C470 PolarHBondContact O-N 2.82Å; A467-N471 PolarHBondContact O-N 2.86Å; A467-Y472 PolarHBondContact O-N 2.9Å; A467-G474 PolarHBondContact N-O 2.87Å; A467-L476 HydrophobicContact CB-CB 3.63Å
468	S	89.8	Confident	79	Confident	82 Å²	82	67.6 Å²	67.6	57%	0.573	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-58.5	-35.5	173.2	59.8	0	0	0	0	111.9	A466 C470 N471	A466-S468 PolarHBondContact O-N 3.17Å; S468-C470 PolarHBondContact O-N 2.86Å; S468-N471 PolarHBondContact O-N 2.92Å
469	Y	87.3	Confident	80.5	Confident	46 Å²	46	62.3 Å²	62.3	18%	0.18	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-59.8	-30.8	172.9	-175.2	-94.6	0	0	0	112.6	G48 D51 A467 N471 L476 R491	G48-Y469 VanDerWaalsContact CA-OH 3.25Å; G48-Y469 WeakPolarHBondContact CA-OH 3.49Å; G48-Y469 PolarHBondContact N-OH 3.26Å; G48-Y469 VanDerWaalsContact N-OH 3.12Å; D51-Y469 PolarHBondContact OD1-OH 3.4Å; A467-Y469 PolarHBondContact O-N 3.09Å; Y469-N471 VanDerWaalsContact C-N 3.34Å; Y469-L476 HydrophobicContact CD1-CD1 3.85Å; Y469-L476 HydrophobicContact CE1-CD1 4.29Å; Y469-R491 HydrophobicContact CE1-CG 4.17Å; Y469-R491 WeakPolarHBondContact O-CB 2.98Å; Y469-R491 WeakPolarHBondContact O-CG 3.5Å
470	C	89.6	Confident	82.2	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-96.8	26.4	175.4	-51	0	0	0	0	112.3	A467 S468 Y472 N473 C481 R491	A467-C470 HydrophobicContact CB-CB 4.18Å; A467-C470 CarbonylContact O-C 3.46Å; A467-C470 VanDerWaalsContact O-C 3.31Å; A467-C470 WeakPolarHBondContact O-CA 3.35Å; A467-C470 PolarHBondContact O-N 2.82Å; S468-C470 PolarHBondContact O-N 2.86Å; C470-Y472 PolarHBondContact O-N 2.86Å; C470-Y472 VanDerWaalsContact O-N 3.1Å; C470-N473 PolarHBondContact O-N 2.69Å; C470-C481 WeakPolarHBondContact CA-SG 3.3Å; C470-C481 HydrophobicContact CB-CB 3.84Å; C470-C481 WeakPolarHBondContact CB-SG 3.01Å; C470-C481 WeakPolarHBondContact SG-CB 3.48Å; C470-C481 CovalentContact SG-SG 2.04Å; C470-C481 PolarHBondContact SG-SG 2.88Å; C470-R491 CarbonylContact C-O 3.54Å; C470-R491 WeakPolarHBondContact CA-O 3.31Å; C470-R491 VanDerWaalsContact O-O 3.12Å
471	N	88.8	Confident	84.1	Confident	72 Å²	72	50.8 Å²	50.8	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	27.8	-178.6	-64.4	-71.8	0	0	0	114.8	A467 S468 Y469 N473 R491 E493	A467-N471 PolarHBondContact O-N 2.86Å; S468-N471 PolarHBondContact O-N 2.92Å; Y469-N471 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 2.67Å; N471-N473 VanDerWaalsContact O-N 3.11Å; N471-N473 PolarHBondContact O-ND2 3.18Å; N471-R491 PolarHBondContact ND2-O 2.84Å; N471-E493 WeakPolarHBondContact ND2-CA 3.27Å
472	Y	90.1	Very high	85.9	Confident	162 Å²	162	50 Å²	50	64%	0.635	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	12.4	-171.4	-51	-83.6	0	0	0	114.5	A466 A467 C470	A466-Y472 WeakPolarHBondContact O-CD1 3.4Å; A467-Y472 PolarHBondContact O-N 2.9Å; C470-Y472 PolarHBondContact O-N 2.86Å; C470-Y472 VanDerWaalsContact O-N 3.1Å
473	N	90.6	Very high	87.1	Confident	34 Å²	34	51.1 Å²	51.1	18%	0.182	27%	0.265	C	S	.	.	S	Bend	trans	-110	13.5	-174.5	-71.9	-38.9	0	0	0	112.7	C470 N471 Y484 R487 C492	C470-N473 PolarHBondContact O-N 2.69Å; N471-N473 PolarHBondContact O-N 2.67Å; N471-N473 VanDerWaalsContact O-N 3.11Å; N471-N473 PolarHBondContact O-ND2 3.18Å; N473-Y484 VanDerWaalsContact C-CD2 3.42Å; N473-Y484 WeakPolarHBondContact O-CD2 3.41Å; N473-Y484 PolarHBondContact O-N 2.03Å; N473-R487 HydrophobicContact CB-CB 4.39Å; N473-R487 HydrophobicContact CB-CG 3.9Å; N473-R487 VanDerWaalsContact CG-CZ 3.46Å; N473-R487 VanDerWaalsContact CG-NE 3.29Å; N473-R487 PolarHBondContact ND2-NE 3.27Å; N473-R487 PolarHBondContact ND2-NH1 2.71Å; N473-R487 PolarHBondContact ND2-NH2 2.94Å; N473-R487 PolarHBondContact OD1-NE 2.84Å; N473-R487 PolarHBondContact OD1-NH2 3.43Å; N473-C492 HydrophobicContact CB-CB 3.77Å; N473-C492 PolarHBondContact ND2-O 2.78Å
474	G	89.3	Confident	87.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	170.1	-179.7	0	0	0	0	0	112.1	A466 A467 Q482	A466-G474 CarbonylContact C-O 3.59Å; A466-G474 WeakPolarHBondContact CA-O 3.45Å; A466-G474 PolarHBondContact N-O 3.48Å; A467-G474 PolarHBondContact N-O 2.87Å; G474-Q482 CarbonylContact C-O 3.11Å; G474-Q482 WeakPolarHBondContact CA-O 2.99Å
475	D	89.5	Confident	87.8	Confident	27 Å²	27	56.1 Å²	56.1	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.9	178.3	-62.9	-18.6	0	0	0	109.4	L463 T464 R465 A466 V477 Q482 Y484	L463-D475 HydrophobicContact CD1-CB 3.85Å; T464-D475 WeakPolarHBondContact O-CA 3.22Å; R465-D475 WeakPolarHBondContact CA-OD1 3.47Å; A466-D475 PolarHBondContact N-OD1 2.92Å; D475-V477 HydrophobicContact CB-CG2 4.39Å; D475-V477 PolarHBondContact O-N 2.86Å; D475-Q482 PolarHBondContact N-O 2.98Å; D475-Q482 PolarHBondContact O-N 2.86Å; D475-Y484 WeakPolarHBondContact OD1-CE1 3.33Å; D475-Y484 PolarHBondContact OD1-OH 2.9Å
476	L	88.4	Confident	87.5	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.4	174.6	-178.3	66.5	0	0	0	108.6	P47 S462 L463 T464 A467 Y469	P47-L476 HydrophobicContact CG-CD2 4.44Å; S462-L476 CarbonylContact C-O 3.43Å; L463-L476 VanDerWaalsContact CA-O 3.25Å; L463-L476 WeakPolarHBondContact CA-O 3.14Å; T464-L476 PolarHBondContact N-O 3.4Å; T464-L476 VanDerWaalsContact N-O 3.09Å; T464-L476 PolarHBondContact O-N 2.81Å; A467-L476 HydrophobicContact CB-CB 3.63Å; Y469-L476 HydrophobicContact CD1-CD1 3.85Å; Y469-L476 HydrophobicContact CE1-CD1 4.29Å
477	V	88	Confident	87.4	Confident	30 Å²	30	53.3 Å²	53.3	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.5	-178.7	-172.8	0	0	0	0	109.7	T456 S462 L463 D475 G479 A480 Q482	T456-V477 HydrophobicContact CG2-CG1 4.1Å; S462-V477 VanDerWaalsContact O-CA 3.25Å; S462-V477 WeakPolarHBondContact O-CA 3.36Å; L463-V477 HydrophobicContact CD1-CG2 3.64Å; D475-V477 HydrophobicContact CB-CG2 4.39Å; D475-V477 PolarHBondContact O-N 2.86Å; V477-G479 PolarHBondContact O-N 2.74Å; V477-A480 PolarHBondContact N-O 2.97Å; V477-A480 PolarHBondContact O-N 2.81Å; V477-A480 VanDerWaalsContact O-O 3.06Å; V477-Q482 HydrophobicContact CG2-CB 4.25Å
478	C	89	Confident	86.9	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.027	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.1	177.1	-62	0	0	0	0	113.6	C31 W43 T45 C455 S462	C31-C478 HydrophobicContact CB-CB 4.05Å; W43-C478 PolarHBondContact NE1-O 2.97Å; T45-C478 WeakPolarHBondContact CA-O 3.28Å; T45-C478 HydrophobicContact CG2-CB 4.18Å; C455-C478 HydrophobicContact CB-CB 3.93Å; C455-C478 WeakPolarHBondContact CB-SG 3.34Å; C455-C478 WeakPolarHBondContact SG-CB 3.48Å; C455-C478 CovalentContact SG-SG 2.02Å; C455-C478 PolarHBondContact SG-SG 3.41Å; S462-C478 PolarHBondContact O-N 2.98Å; S462-C478 VanDerWaalsContact O-N 3.1Å
479	G	87.8	Confident	86.2	Confident	6 Å²	6	50.8 Å²	50.8	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9.8	179.4	0	0	0	0	0	116.2	T45 R57 V477	T45-G479 WeakPolarHBondContact O-CA 3.46Å; R57-G479 PolarHBondContact NH1-O 3.42Å; R57-G479 PolarHBondContact NH2-O 3.45Å; V477-G479 PolarHBondContact O-N 2.74Å
480	A	88.1	Confident	85.7	Confident	20 Å²	20	52.2 Å²	52.2	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150	176.8	0	0	0	0	0	111.6	W43 V477	W43-A480 HydrophobicContact CZ2-CB 4.03Å; V477-A480 PolarHBondContact N-O 2.97Å; V477-A480 PolarHBondContact O-N 2.81Å; V477-A480 VanDerWaalsContact O-O 3.06Å
481	C	87.6	Confident	85.6	Confident	24 Å²	24	56.5 Å²	56.5	16%	0.162	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.3	178.8	-67.1	0	0	0	0	111.9	C470 R490	C470-C481 WeakPolarHBondContact CA-SG 3.3Å; C470-C481 HydrophobicContact CB-CB 3.84Å; C470-C481 WeakPolarHBondContact CB-SG 3.01Å; C470-C481 WeakPolarHBondContact SG-CB 3.48Å; C470-C481 CovalentContact SG-SG 2.04Å; C470-C481 PolarHBondContact SG-SG 2.88Å; C481-R490 VanDerWaalsContact CB-O 3.3Å; C481-R490 WeakPolarHBondContact CB-O 3.38Å
482	Q	87.6	Confident	85.4	Confident	130 Å²	130	53.1 Å²	53.1	61%	0.607	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.8	163.1	-174.4	174.7	11.3	0	0	108.9	G474 D475 V477	G474-Q482 CarbonylContact C-O 3.11Å; G474-Q482 WeakPolarHBondContact CA-O 2.99Å; D475-Q482 PolarHBondContact N-O 2.98Å; D475-Q482 PolarHBondContact O-N 2.86Å; V477-Q482 HydrophobicContact CG2-CB 4.25Å
483	C	86.6	Confident	85.1	Confident	37 Å²	37	48.4 Å²	48.4	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	144	-175.1	-57	0	0	0	0	113	R487 C492	C483-R487 HydrophobicContact CB-CB 3.93Å; C483-R487 WeakPolarHBondContact CB-O 3.43Å; C483-C492 WeakPolarHBondContact CA-SG 2.99Å; C483-C492 HydrophobicContact CB-CB 3.76Å; C483-C492 WeakPolarHBondContact CB-SG 3.39Å; C483-C492 WeakPolarHBondContact SG-CA 3.25Å; C483-C492 WeakPolarHBondContact SG-CB 3.37Å; C483-C492 CovalentContact SG-SG 2.04Å; C483-C492 PolarHBondContact SG-SG 2.84Å
484	Y	87.4	Confident	84.7	Confident	98 Å²	98	48.2 Å²	48.2	38%	0.384	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.3	164.9	169.7	-58.6	-30.6	0	0	0	111.1	A466 N473 D475 N486 R487	A466-Y484 WeakPolarHBondContact CA-OH 3.38Å; A466-Y484 PolarHBondContact N-OH 3.34Å; A466-Y484 VanDerWaalsContact N-OH 3.1Å; N473-Y484 VanDerWaalsContact C-CD2 3.42Å; N473-Y484 WeakPolarHBondContact O-CD2 3.41Å; N473-Y484 PolarHBondContact O-N 2.03Å; D475-Y484 WeakPolarHBondContact OD1-CE1 3.33Å; D475-Y484 PolarHBondContact OD1-OH 2.9Å; Y484-N486 PolarHBondContact O-N 3.17Å; Y484-R487 WeakPolarHBondContact O-CB 3.44Å; Y484-R487 PolarHBondContact O-N 3.31Å
485	N	80.8	Confident	84.2	Confident	156 Å²	156	55 Å²	55	83%	0.834	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	137.2	-178.8	-66.6	-22.1	0	0	0	112	R487	N485-R487 PolarHBondContact O-N 2.88Å
486	N	78.4	Confident	83.2	Confident	95 Å²	95	54.1 Å²	54.1	51%	0.508	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	5.3	-175.2	-51.2	-48.5	0	0	0	116.1	Y484 A496 G498	Y484-N486 PolarHBondContact O-N 3.17Å; N486-A496 PolarHBondContact O-N 3.23Å; N486-G498 PolarHBondContact OD1-N 2.87Å
487	R	83.7	Confident	81.7	Confident	75 Å²	75	57.9 Å²	57.9	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.1	173.5	-64.6	-75	-166.5	173.3	-0.9	109.8	N473 C483 Y484 N485 C492 C494	N473-R487 HydrophobicContact CB-CB 4.39Å; N473-R487 HydrophobicContact CB-CG 3.9Å; N473-R487 VanDerWaalsContact CG-CZ 3.46Å; N473-R487 VanDerWaalsContact CG-NE 3.29Å; N473-R487 PolarHBondContact ND2-NE 3.27Å; N473-R487 PolarHBondContact ND2-NH1 2.71Å; N473-R487 PolarHBondContact ND2-NH2 2.94Å; N473-R487 PolarHBondContact OD1-NE 2.84Å; N473-R487 PolarHBondContact OD1-NH2 3.43Å; C483-R487 HydrophobicContact CB-CB 3.93Å; C483-R487 WeakPolarHBondContact CB-O 3.43Å; Y484-R487 WeakPolarHBondContact O-CB 3.44Å; Y484-R487 PolarHBondContact O-N 3.31Å; N485-R487 PolarHBondContact O-N 2.88Å; R487-C492 HydrophobicContact CB-CB 4.18Å; R487-C494 WeakPolarHBondContact CA-O 3.23Å
488	V	77.5	Confident	80.3	Confident	22 Å²	22	59.9 Å²	59.9	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	167.7	-178.6	-61.9	0	0	0	0	109.3	C492 E493 C494 A496 L504	V488-C492 CarbonylContact O-C 3.6Å; V488-E493 PolarHBondContact O-N 3.42Å; V488-C494 HydrophobicContact CG2-CB 3.83Å; V488-C494 PolarHBondContact N-O 3.4Å; V488-C494 WeakPolarHBondContact O-CB 3.46Å; V488-C494 PolarHBondContact O-N 2.87Å; V488-A496 HydrophobicContact CB-CB 4.47Å; V488-A496 HydrophobicContact CG1-CB 4Å; V488-A496 HydrophobicContact CG2-CB 3.62Å; V488-L504 HydrophobicContact CB-CD1 4.12Å; V488-L504 HydrophobicContact CG1-CD1 3.95Å; V488-L504 HydrophobicContact CG2-CD1 3.68Å; V488-L504 HydrophobicContact CG2-CD2 4.2Å
489	G	74.3	Confident	78.8	Confident	9 Å²	9	63.5 Å²	63.5	9%	0.093	34%	0.339	C	S	.	.	S	Bend	trans	108.3	167.1	-171.5	0	0	0	0	0	111.2	R491 E493	G489-R491 VanDerWaalsContact C-N 3.27Å; G489-E493 VanDerWaalsContact CA-OE1 3.29Å; G489-E493 WeakPolarHBondContact CA-OE1 3.48Å
490	R	77.8	Confident	77.5	Confident	76 Å²	76	66.5 Å²	66.5	29%	0.287	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.9	-178.9	-93.9	179.9	-97.7	-150.5	-29.4	112.9	D50 N53 C481 E493 D524	D50-R490 PolarHBondContact O-NH1 2.95Å; N53-R490 VanDerWaalsContact CG-NH1 3.31Å; N53-R490 PolarHBondContact ND2-NH2 3.42Å; N53-R490 PolarHBondContact OD1-NH1 3.27Å; N53-R490 PolarHBondContact OD1-NH2 3.01Å; C481-R490 VanDerWaalsContact CB-O 3.3Å; C481-R490 WeakPolarHBondContact CB-O 3.38Å; R490-E493 PolarHBondContact N-OE1 2.81Å; R490-E493 VanDerWaalsContact N-OE1 3.15Å; R490-E493 PolarHBondContact N-OE2 2.57Å; R490-D524 IonicContact NH2-OD2 2.71Å; R490-D524 PolarHBondContact NH2-OD2 3.47Å
491	R	85.8	Confident	76.3	Confident	91 Å²	91	67.1 Å²	67.1	34%	0.343	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	18	178.8	-63.9	-175.4	174	-164.9	-1.2	111.5	D51 Y469 C470 N471 G489 E493	D51-R491 IonicContact OD1-CZ 3.04Å; D51-R491 IonicContact OD1-NE 3.94Å; D51-R491 IonicContact OD1-NH2 3.58Å; D51-R491 PolarHBondContact OD1-NH2 3.15Å; D51-R491 IonicContact OD2-CZ 2.75Å; D51-R491 IonicContact OD2-NH2 3.72Å; D51-R491 PolarHBondContact OD2-NH2 3.45Å; Y469-R491 HydrophobicContact CE1-CG 4.17Å; Y469-R491 WeakPolarHBondContact O-CB 2.98Å; Y469-R491 WeakPolarHBondContact O-CG 3.5Å; C470-R491 CarbonylContact C-O 3.54Å; C470-R491 WeakPolarHBondContact CA-O 3.31Å; C470-R491 VanDerWaalsContact O-O 3.12Å; N471-R491 PolarHBondContact ND2-O 2.84Å; G489-R491 VanDerWaalsContact C-N 3.27Å; R491-E493 WeakPolarHBondContact CA-OE2 3.41Å; R491-E493 VanDerWaalsContact CB-OE2 3.27Å; R491-E493 WeakPolarHBondContact CB-OE2 3.46Å; R491-E493 PolarHBondContact N-OE2 3.07Å; R491-E493 PolarHBondContact O-N 3.03Å; R491-E493 VanDerWaalsContact O-N 3.15Å
492	C	86.3	Confident	75.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	55.5	31.1	-176.9	-44.2	0	0	0	0	113.5	N473 C483 R487 V488 C494	N473-C492 HydrophobicContact CB-CB 3.77Å; N473-C492 PolarHBondContact ND2-O 2.78Å; C483-C492 WeakPolarHBondContact CA-SG 2.99Å; C483-C492 HydrophobicContact CB-CB 3.76Å; C483-C492 WeakPolarHBondContact CB-SG 3.39Å; C483-C492 WeakPolarHBondContact SG-CA 3.25Å; C483-C492 WeakPolarHBondContact SG-CB 3.37Å; C483-C492 CovalentContact SG-SG 2.04Å; C483-C492 PolarHBondContact SG-SG 2.84Å; R487-C492 HydrophobicContact CB-CB 4.18Å; V488-C492 CarbonylContact O-C 3.6Å; C492-C494 VanDerWaalsContact C-N 3.29Å; C492-C494 PolarHBondContact O-N 2.8Å
493	E	83.6	Confident	74.3	Confident	64 Å²	64	64.9 Å²	64.9	30%	0.299	36%	0.358	S	S	.	.			trans	-72.3	-21	-175.4	61.7	-81.3	-167.5	0	0	112.8	N471 V488 G489 R490 R491	N471-E493 WeakPolarHBondContact ND2-CA 3.27Å; V488-E493 PolarHBondContact O-N 3.42Å; G489-E493 VanDerWaalsContact CA-OE1 3.29Å; G489-E493 WeakPolarHBondContact CA-OE1 3.48Å; R490-E493 PolarHBondContact N-OE1 2.81Å; R490-E493 VanDerWaalsContact N-OE1 3.15Å; R490-E493 PolarHBondContact N-OE2 2.57Å; R491-E493 WeakPolarHBondContact CA-OE2 3.41Å; R491-E493 VanDerWaalsContact CB-OE2 3.27Å; R491-E493 WeakPolarHBondContact CB-OE2 3.46Å; R491-E493 PolarHBondContact N-OE2 3.07Å; R491-E493 PolarHBondContact O-N 3.03Å; R491-E493 VanDerWaalsContact O-N 3.15Å
494	C	81.2	Confident	73.4	Confident	29 Å²	29	63.8 Å²	63.8	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	-171.9	-65.9	0	0	0	0	112.6	R487 V488 C492 C527	R487-C494 WeakPolarHBondContact CA-O 3.23Å; V488-C494 HydrophobicContact CG2-CB 3.83Å; V488-C494 PolarHBondContact N-O 3.4Å; V488-C494 WeakPolarHBondContact O-CB 3.46Å; V488-C494 PolarHBondContact O-N 2.87Å; C492-C494 VanDerWaalsContact C-N 3.29Å; C492-C494 PolarHBondContact O-N 2.8Å; C494-C527 HydrophobicContact CB-CB 3.74Å; C494-C527 WeakPolarHBondContact CB-SG 3.26Å; C494-C527 WeakPolarHBondContact SG-CB 3.44Å; C494-C527 CovalentContact SG-SG 2Å; C494-C527 PolarHBondContact SG-SG 3.44Å
495	E	78.7	Confident	72.7	Confident	144 Å²	144	60.6 Å²	60.6	67%	0.673	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.2	172.9	-169.6	172.6	-173.9	0	0	108.4
496	A	68	Low	72.4	Confident	7 Å²	7	56.7 Å²	56.7	6%	0.058	32%	0.317	C	S	.	.			trans	-121.1	84.4	176.7	0	0	0	0	0	108.2	N486 V488 G498 M499 L504	N486-A496 PolarHBondContact O-N 3.23Å; V488-A496 HydrophobicContact CB-CB 4.47Å; V488-A496 HydrophobicContact CG1-CB 4Å; V488-A496 HydrophobicContact CG2-CB 3.62Å; A496-G498 PolarHBondContact O-N 3.34Å; A496-M499 HydrophobicContact CB-CB 4.22Å; A496-L504 HydrophobicContact CB-CD1 3.89Å
497	P	58.2	Low	72.4	Confident	98 Å²	98	56.6 Å²	56.6	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	106.6	179.5	26.3	-30.7	0	0	0	109.1	M499	P497-M499 PolarHBondContact O-N 2.79Å
498	G	58.8	Low	72.4	Confident	73 Å²	73	53.1 Å²	53.1	75%	0.753	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	7.8	174.7	0	0	0	0	0	116.6	N486 A496	N486-G498 PolarHBondContact OD1-N 2.87Å; A496-G498 PolarHBondContact O-N 3.34Å
499	M	56.9	Low	72.7	Confident	80 Å²	80	54.3 Å²	54.3	39%	0.394	30%	0.303	S	S	.	.			trans	-90.8	123.4	170.8	-101.4	-173.8	-115.1	0	0	110.5	A496 P497 A503 L504 M507	A496-M499 HydrophobicContact CB-CB 4.22Å; P497-M499 PolarHBondContact O-N 2.79Å; M499-A503 HydrophobicContact CB-CB 3.99Å; M499-A503 HydrophobicContact CG-CB 3.48Å; M499-A503 VanDerWaalsContact CG-CB 3.48Å; M499-A503 HydrophobicContact SD-CB 3.86Å; M499-L504 HydrophobicContact CB-CD1 4.49Å; M499-M507 HydrophobicContact CE-CE 3.58Å; M499-M507 HydrophobicContact SD-CE 3.49Å; M499-M507 WeakPolarHBondContact SD-CE 3.5Å; M499-M507 HydrophobicContact SD-SD 4.47Å
500	S	60.5	Low	72.9	Confident	68 Å²	68	58.8 Å²	58.8	48%	0.476	32%	0.32	S	S	.	.			trans	-63.8	157.5	167.1	59.2	0	0	0	0	110.6	V502 A503 L504	S500-V502 PolarHBondContact O-N 2.69Å; S500-V502 VanDerWaalsContact O-N 3.14Å; S500-A503 WeakPolarHBondContact O-CB 3.02Å; S500-A503 PolarHBondContact O-N 2.02Å; S500-A503 PolarHBondContact OG-N 2.75Å; S500-L504 PolarHBondContact O-N 2.94Å
501	T	62.2	Low	72.7	Confident	33 Å²	33	60.9 Å²	60.9	20%	0.202	34%	0.337	C	S	.	.	H	α-helix	trans	-43.5	-42.4	167.5	46.8	0	0	0	0	111.9	E27 A503 L504 D505	E27-T501 HydrophobicContact CG-CG2 4.41Å; E27-T501 PolarHBondContact OE1-OG1 2.97Å; T501-A503 VanDerWaalsContact C-N 3.31Å; T501-A503 PolarHBondContact O-N 3.38Å; T501-L504 PolarHBondContact O-N 2.93Å; T501-D505 PolarHBondContact O-N 3.08Å
502	V	65.5	Low	71.8	Confident	82 Å²	82	62.2 Å²	62.2	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-39.2	176.6	-177.8	0	0	0	0	112.5	S500 D505 M506	S500-V502 PolarHBondContact O-N 2.69Å; S500-V502 VanDerWaalsContact O-N 3.14Å; V502-D505 PolarHBondContact O-N 3.27Å; V502-M506 WeakPolarHBondContact O-CG 3.29Å; V502-M506 PolarHBondContact O-N 3.14Å
503	A	67.4	Low	71.2	Confident	26 Å²	26	65.9 Å²	65.9	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-72.3	-35.8	-179.3	0	0	0	0	0	112.6	M499 S500 T501 M506 M507	M499-A503 HydrophobicContact CB-CB 3.99Å; M499-A503 HydrophobicContact CG-CB 3.48Å; M499-A503 VanDerWaalsContact CG-CB 3.48Å; M499-A503 HydrophobicContact SD-CB 3.86Å; S500-A503 WeakPolarHBondContact O-CB 3.02Å; S500-A503 PolarHBondContact O-N 2.02Å; S500-A503 PolarHBondContact OG-N 2.75Å; T501-A503 VanDerWaalsContact C-N 3.31Å; T501-A503 PolarHBondContact O-N 3.38Å; A503-M506 WeakPolarHBondContact O-CB 3.46Å; A503-M506 PolarHBondContact O-N 3.39Å; A503-M507 PolarHBondContact O-N 3.05Å
504	L	68.3	Low	70.5	Confident	14 Å²	14	67 Å²	67	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-68	-42.1	172.1	-74.8	130.7	0	0	0	111.5	V488 A496 M499 S500 T501 M506 M507 C525	V488-L504 HydrophobicContact CB-CD1 4.12Å; V488-L504 HydrophobicContact CG1-CD1 3.95Å; V488-L504 HydrophobicContact CG2-CD1 3.68Å; V488-L504 HydrophobicContact CG2-CD2 4.2Å; A496-L504 HydrophobicContact CB-CD1 3.89Å; M499-L504 HydrophobicContact CB-CD1 4.49Å; S500-L504 PolarHBondContact O-N 2.94Å; T501-L504 PolarHBondContact O-N 2.93Å; L504-M506 PolarHBondContact O-N 2.79Å; L504-M507 WeakPolarHBondContact O-CB 3.27Å; L504-M507 PolarHBondContact O-N 2.87Å; L504-C525 PolarHBondContact O-SG 2.9Å; L504-C525 VanDerWaalsContact O-SG 3.34Å
505	D	73.3	Confident	70.1	Confident	30 Å²	30	76.3 Å²	76.3	16%	0.16	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-32	175.8	-74.7	-7.1	0	0	0	111.7	R26 T501 V502 M507 C508 R509 I518	R26-D505 IonicContact NH1-OD1 3.11Å; T501-D505 PolarHBondContact O-N 3.08Å; V502-D505 PolarHBondContact O-N 3.27Å; D505-M507 VanDerWaalsContact C-N 3.34Å; D505-C508 PolarHBondContact O-N 2.95Å; D505-R509 WeakPolarHBondContact O-CG 3.24Å; D505-I518 HydrophobicContact CB-CD1 3.91Å; D505-I518 HydrophobicContact CB-CG1 4.42Å
506	M	73.6	Confident	70	Confident	75 Å²	75	70 Å²	70	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-37.3	171.6	-80.2	-167.2	175.2	0	0	112.6	V502 A503 L504 C508 R509	V502-M506 WeakPolarHBondContact O-CG 3.29Å; V502-M506 PolarHBondContact O-N 3.14Å; A503-M506 WeakPolarHBondContact O-CB 3.46Å; A503-M506 PolarHBondContact O-N 3.39Å; L504-M506 PolarHBondContact O-N 2.79Å; M506-C508 PolarHBondContact O-N 3.07Å; M506-C508 VanDerWaalsContact O-N 3.15Å; M506-R509 PolarHBondContact O-N 3.48Å
507	M	78	Confident	70.5	Confident	93 Å²	93	73 Å²	73	46%	0.458	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-17.8	176.5	-63.4	-177.9	168.9	0	0	113.5	M499 A503 L504 D505 F546	M499-M507 HydrophobicContact CE-CE 3.58Å; M499-M507 HydrophobicContact SD-CE 3.49Å; M499-M507 WeakPolarHBondContact SD-CE 3.5Å; M499-M507 HydrophobicContact SD-SD 4.47Å; A503-M507 PolarHBondContact O-N 3.05Å; L504-M507 WeakPolarHBondContact O-CB 3.27Å; L504-M507 PolarHBondContact O-N 2.87Å; D505-M507 VanDerWaalsContact C-N 3.34Å; M507-F546 WeakPolarHBondContact O-CE1 2.98Å
508	C	84.5	Confident	71.6	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	11.1	177.2	-68.2	0	0	0	0	113.1	D505 M506 I518 C519 C525 R529 C530	D505-C508 PolarHBondContact O-N 2.95Å; M506-C508 PolarHBondContact O-N 3.07Å; M506-C508 VanDerWaalsContact O-N 3.15Å; C508-I518 HydrophobicContact CB-CG2 4.01Å; C508-C519 PolarHBondContact O-N 3.3Å; C508-C525 HydrophobicContact CB-CB 3.44Å; C508-C525 VanDerWaalsContact CB-CB 3.44Å; C508-C525 WeakPolarHBondContact CB-SG 3Å; C508-C525 WeakPolarHBondContact SG-CA 3.44Å; C508-C525 WeakPolarHBondContact SG-CB 3.47Å; C508-C525 CovalentContact SG-SG 2.03Å; C508-C525 PolarHBondContact SG-SG 3.1Å; C508-R529 PolarHBondContact SG-N 3.38Å; C508-C530 VanDerWaalsContact CB-SG 3.58Å
509	R	84.5	Confident	73	Confident	47 Å²	47	67.2 Å²	67.2	18%	0.177	35%	0.354	C	S	.	.			trans	-115	122.4	177.3	-68.8	172.4	-170.7	-131.8	11.2	109.8	D505 M506 N511 N512 S514 A516 I518	D505-R509 WeakPolarHBondContact O-CG 3.24Å; M506-R509 PolarHBondContact O-N 3.48Å; R509-N511 VanDerWaalsContact C-N 3.28Å; R509-N511 PolarHBondContact O-N 2.84Å; R509-N511 VanDerWaalsContact O-N 3.17Å; R509-N512 PolarHBondContact O-N 2.93Å; R509-S514 PolarHBondContact NH1-O 2.79Å; R509-A516 WeakPolarHBondContact CD-O 3.46Å; R509-A516 VanDerWaalsContact CZ-O 3.29Å; R509-A516 PolarHBondContact NH1-O 3.12Å; R509-I518 HydrophobicContact CG-CG1 4.39Å
510	K	77	Confident	74.4	Confident	103 Å²	103	66.7 Å²	66.7	45%	0.448	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.4	-171.7	-172.7	173.7	178.2	174.1	0	114.6	F546	K510-F546 HydrophobicContact CB-CB 4.46Å; K510-F546 HydrophobicContact CB-CD1 4.42Å; K510-F546 HydrophobicContact CB-CD2 4.04Å; K510-F546 HydrophobicContact CB-CE2 4.38Å; K510-F546 HydrophobicContact CB-CG 4.05Å; K510-F546 HydrophobicContact CG-CD2 4.01Å; K510-F546 HydrophobicContact CG-CE2 4.26Å
511	N	75.1	Confident	75.4	Confident	121 Å²	121	65.8 Å²	65.8	65%	0.647	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	9.8	-173.2	-68.1	-14.3	0	0	0	114.4	R509 D513	R509-N511 VanDerWaalsContact C-N 3.28Å; R509-N511 PolarHBondContact O-N 2.84Å; R509-N511 VanDerWaalsContact O-N 3.17Å; N511-D513 HydrophobicContact CB-CB 4.34Å; N511-D513 PolarHBondContact O-N 3.05Å
512	N	66.8	Low	76.6	Confident	118 Å²	118	67.3 Å²	67.3	63%	0.631	35%	0.354	S	S	*	.			trans	51.1	15.2	-167.9	-75.4	-13.1	0	0	0	114.5	R509	R509-N512 PolarHBondContact O-N 2.93Å
513	D	72.9	Confident	77.4	Confident	77 Å²	77	63.7 Å²	63.7	41%	0.412	33%	0.333	S	S	.	.			trans	-81.6	125.4	177.7	-175.4	-7.9	0	0	0	109.2	N511 R515 A516	N511-D513 HydrophobicContact CB-CB 4.34Å; N511-D513 PolarHBondContact O-N 3.05Å; D513-R515 PolarHBondContact O-N 2.79Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 PolarHBondContact OD1-N 2.7Å; D513-A516 HydrophobicContact CB-CB 4.1Å; D513-A516 WeakPolarHBondContact O-CB 3.37Å; D513-A516 PolarHBondContact O-N 3.1Å
514	S	69.5	Low	77.9	Confident	87 Å²	87	64.4 Å²	64.4	61%	0.608	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.6	177.5	56.7	0	0	0	0	113.3	R509	R509-S514 PolarHBondContact NH1-O 2.79Å
515	R	73.6	Confident	78.4	Confident	225 Å²	225	64.2 Å²	64.2	85%	0.849	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-15.1	173.1	-64	-178.5	179.4	174	0.5	114.3	D513	D513-R515 PolarHBondContact O-N 2.79Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 PolarHBondContact OD1-N 2.7Å
516	A	74.8	Confident	78.4	Confident	12 Å²	12	65.8 Å²	65.8	10%	0.099	34%	0.341	C	S	.	.	S	Bend	trans	-68.9	134.5	178.6	0	0	0	0	0	110.3	R509 D513	R509-A516 WeakPolarHBondContact CD-O 3.46Å; R509-A516 VanDerWaalsContact CZ-O 3.29Å; R509-A516 PolarHBondContact NH1-O 3.12Å; D513-A516 HydrophobicContact CB-CB 4.1Å; D513-A516 WeakPolarHBondContact O-CB 3.37Å; D513-A516 PolarHBondContact O-N 3.1Å
517	P	79.5	Confident	78.4	Confident	71 Å²	71	64 Å²	64	46%	0.461	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.1	142.1	178.9	25.8	-32.7	0	0	0	110.8	C519 E520	P517-C519 PolarHBondContact O-N 2.95Å; P517-E520 PolarHBondContact O-N 3.47Å
518	I	81.4	Confident	78.2	Confident	49 Å²	49	60.3 Å²	60.3	25%	0.251	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-58.9	130.1	174.7	-65.7	172.9	0	0	0	108.4	D505 C508 R509 E520 G521 C525	D505-I518 HydrophobicContact CB-CD1 3.91Å; D505-I518 HydrophobicContact CB-CG1 4.42Å; C508-I518 HydrophobicContact CB-CG2 4.01Å; R509-I518 HydrophobicContact CG-CG1 4.39Å; I518-E520 PolarHBondContact O-N 2.04Å; I518-G521 PolarHBondContact O-N 3.24Å; I518-C525 HydrophobicContact CG2-CB 3.57Å
519	C	87.3	Confident	78.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	51.1	39.8	-179.6	-54.4	0	0	0	0	113.5	C508 P517 G521 R522 G523 D524 C530 F546	C508-C519 PolarHBondContact O-N 3.3Å; P517-C519 PolarHBondContact O-N 2.95Å; C519-G521 PolarHBondContact O-N 3.26Å; C519-R522 PolarHBondContact O-N 3.44Å; C519-G523 VanDerWaalsContact CB-C 3.49Å; C519-G523 WeakPolarHBondContact CB-O 3.11Å; C519-D524 VanDerWaalsContact SG-C 3.51Å; C519-C530 WeakPolarHBondContact CA-SG 3.11Å; C519-C530 HydrophobicContact CB-CB 3.63Å; C519-C530 WeakPolarHBondContact CB-SG 3.43Å; C519-C530 WeakPolarHBondContact SG-CA 3.13Å; C519-C530 WeakPolarHBondContact SG-CB 3.01Å; C519-C530 CovalentContact SG-SG 2.03Å; C519-C530 PolarHBondContact SG-SG 2.96Å; C519-F546 CarbonylContact C-O 3.55Å; C519-F546 VanDerWaalsContact CA-O 3.27Å; C519-F546 WeakPolarHBondContact CA-O 2.92Å
520	E	86.8	Confident	78.2	Confident	68 Å²	68	67.8 Å²	67.8	32%	0.318	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	54.1	19.7	-177	-62.3	-72.2	125	0	0	113.4	P517 I518 R522 F546 E548	P517-E520 PolarHBondContact O-N 3.47Å; I518-E520 PolarHBondContact O-N 2.04Å; E520-R522 PolarHBondContact O-N 3.13Å; E520-F546 HydrophobicContact CG-CB 4.36Å; E520-E548 HydrophobicContact CG-CB 4.13Å
521	G	82.6	Confident	78.5	Confident	49 Å²	49	66.1 Å²	66.1	51%	0.505	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	71.5	11.9	-173.7	0	0	0	0	0	114.9	I518 C519	I518-G521 PolarHBondContact O-N 3.24Å; C519-G521 PolarHBondContact O-N 3.26Å
522	R	85.8	Confident	79	Confident	66 Å²	66	61.7 Å²	61.7	25%	0.249	33%	0.329	C	S	.	.	S	Bend	trans	-117	8.1	-174.8	-63.5	171.4	-178.1	-155.6	0.4	113.3	C519 E520 F533 Y542 C547 D550	C519-R522 PolarHBondContact O-N 3.44Å; E520-R522 PolarHBondContact O-N 3.13Å; R522-F533 VanDerWaalsContact O-CD2 3.3Å; R522-F533 WeakPolarHBondContact O-CD2 3.22Å; R522-F533 PolarHBondContact O-N 3.48Å; R522-Y542 HydrophobicContact CB-CD1 4.23Å; R522-Y542 HydrophobicContact CB-CD2 4.5Å; R522-Y542 HydrophobicContact CB-CE1 4.42Å; R522-Y542 HydrophobicContact CB-CG 4.28Å; R522-Y542 HydrophobicContact CG-CD1 4.31Å; R522-Y542 HydrophobicContact CG-CE1 4.11Å; R522-C547 HydrophobicContact CB-CB 3.87Å; R522-C547 WeakPolarHBondContact CD-O 3.38Å; R522-D550 IonicContact CZ-OD2 2.98Å; R522-D550 IonicContact NH1-OD2 2.95Å; R522-D550 PolarHBondContact NH1-OD2 2.96Å; R522-D550 IonicContact NH2-OD2 3.3Å
523	G	82.5	Confident	79.7	Confident	5 Å²	5	59.8 Å²	59.8	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	-172.9	177.7	0	0	0	0	0	111.1	C519 V531	C519-G523 VanDerWaalsContact CB-C 3.49Å; C519-G523 WeakPolarHBondContact CB-O 3.11Å; G523-V531 CarbonylContact C-O 3.57Å; G523-V531 WeakPolarHBondContact CA-O 3.49Å
524	D	78.7	Confident	80	Confident	41 Å²	41	65 Å²	65	22%	0.219	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.5	-173	-104.9	47.1	0	0	0	111.1	N53 R490 C519 D526 C530 V531 F533	N53-D524 WeakPolarHBondContact ND2-CB 3.45Å; N53-D524 PolarHBondContact ND2-OD2 2.97Å; N53-D524 PolarHBondContact OD1-OD2 3.32Å; R490-D524 IonicContact NH2-OD2 2.71Å; R490-D524 PolarHBondContact NH2-OD2 3.47Å; C519-D524 VanDerWaalsContact SG-C 3.51Å; D524-D526 PolarHBondContact O-N 3.26Å; D524-D526 VanDerWaalsContact O-N 3.14Å; D524-C530 CarbonylContact O-C 3.31Å; D524-C530 WeakPolarHBondContact O-CA 3.05Å; D524-V531 PolarHBondContact N-O 3.07Å; D524-V531 PolarHBondContact O-N 2.87Å; D524-F533 HydrophobicContact CB-CE1 4.38Å; D524-F533 WeakPolarHBondContact OD1-CE1 3.34Å; D524-F533 WeakPolarHBondContact OD1-CZ 3.5Å
525	C	78.3	Confident	80.4	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	98.2	175.8	-167.6	0	0	0	0	110.8	L504 C508 I518	L504-C525 PolarHBondContact O-SG 2.9Å; L504-C525 VanDerWaalsContact O-SG 3.34Å; C508-C525 HydrophobicContact CB-CB 3.44Å; C508-C525 VanDerWaalsContact CB-CB 3.44Å; C508-C525 WeakPolarHBondContact CB-SG 3Å; C508-C525 WeakPolarHBondContact SG-CA 3.44Å; C508-C525 WeakPolarHBondContact SG-CB 3.47Å; C508-C525 CovalentContact SG-SG 2.03Å; C508-C525 PolarHBondContact SG-SG 3.1Å; I518-C525 HydrophobicContact CG2-CB 3.57Å
526	D	73.6	Confident	80.5	Confident	62 Å²	62	64.4 Å²	64.4	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.3	172.1	-166.3	19.1	0	0	0	109.5	D524 G528 R529 V531	D524-D526 PolarHBondContact O-N 3.26Å; D524-D526 VanDerWaalsContact O-N 3.14Å; D526-G528 VanDerWaalsContact C-N 3.29Å; D526-G528 PolarHBondContact O-N 3.15Å; D526-G528 VanDerWaalsContact O-N 3.17Å; D526-R529 PolarHBondContact N-O 3Å; D526-R529 PolarHBondContact O-N 2.93Å; D526-R529 VanDerWaalsContact O-O 3.05Å; D526-V531 HydrophobicContact CB-CG2 3.69Å
527	C	73.4	Confident	80.6	Confident	37 Å²	37	67.2 Å²	67.2	25%	0.25	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.3	179.6	-59.6	0	0	0	0	115.9	C494 R529	C494-C527 HydrophobicContact CB-CB 3.74Å; C494-C527 WeakPolarHBondContact CB-SG 3.26Å; C494-C527 WeakPolarHBondContact SG-CB 3.44Å; C494-C527 CovalentContact SG-SG 2Å; C494-C527 PolarHBondContact SG-SG 3.44Å; C527-R529 VanDerWaalsContact C-N 3.3Å; C527-R529 PolarHBondContact O-N 2.68Å
528	G	74.6	Confident	80.6	Confident	17 Å²	17	70.9 Å²	70.9	18%	0.175	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.7	-178.7	0	0	0	0	0	114.4	D526	D526-G528 VanDerWaalsContact C-N 3.29Å; D526-G528 PolarHBondContact O-N 3.15Å; D526-G528 VanDerWaalsContact O-N 3.17Å
529	R	82.9	Confident	80.5	Confident	192 Å²	192	74.3 Å²	74.3	73%	0.725	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.3	172	-174.7	-177.8	-62.6	174.6	2.2	110.6	C508 D526 C527 V531	C508-R529 PolarHBondContact SG-N 3.38Å; D526-R529 PolarHBondContact N-O 3Å; D526-R529 PolarHBondContact O-N 2.93Å; D526-R529 VanDerWaalsContact O-O 3.05Å; C527-R529 VanDerWaalsContact C-N 3.3Å; C527-R529 PolarHBondContact O-N 2.68Å; R529-V531 PolarHBondContact O-N 3.35Å
530	C	85.5	Confident	80.4	Confident	12 Å²	12	76.5 Å²	76.5	8%	0.081	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.7	174.6	-68	0	0	0	0	112.5	C508 C519 D524 Q545	C508-C530 VanDerWaalsContact CB-SG 3.58Å; C519-C530 WeakPolarHBondContact CA-SG 3.11Å; C519-C530 HydrophobicContact CB-CB 3.63Å; C519-C530 WeakPolarHBondContact CB-SG 3.43Å; C519-C530 WeakPolarHBondContact SG-CA 3.13Å; C519-C530 WeakPolarHBondContact SG-CB 3.01Å; C519-C530 CovalentContact SG-SG 2.03Å; C519-C530 PolarHBondContact SG-SG 2.96Å; D524-C530 CarbonylContact O-C 3.31Å; D524-C530 WeakPolarHBondContact O-CA 3.05Å; C530-Q545 VanDerWaalsContact CB-O 3.25Å; C530-Q545 WeakPolarHBondContact CB-O 3.42Å
531	V	82.8	Confident	80.3	Confident	69 Å²	69	77.6 Å²	77.6	42%	0.418	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	168.1	179.9	0	0	0	0	108	G523 D524 D526 R529	G523-V531 CarbonylContact C-O 3.57Å; G523-V531 WeakPolarHBondContact CA-O 3.49Å; D524-V531 PolarHBondContact N-O 3.07Å; D524-V531 PolarHBondContact O-N 2.87Å; D526-V531 HydrophobicContact CB-CG2 3.69Å; R529-V531 PolarHBondContact O-N 3.35Å
532	C	85.8	Confident	80.6	Confident	28 Å²	28	77.4 Å²	77.4	19%	0.189	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.5	-174.4	-47.6	0	0	0	0	112.4	Y542 C547	C532-Y542 WeakPolarHBondContact CB-O 3.42Å; C532-C547 WeakPolarHBondContact CA-SG 3.45Å; C532-C547 HydrophobicContact CB-CB 3.73Å; C532-C547 WeakPolarHBondContact CB-SG 3.34Å; C532-C547 PolarHBondContact N-SG 3.37Å; C532-C547 WeakPolarHBondContact SG-CA 3.33Å; C532-C547 WeakPolarHBondContact SG-CB 2.97Å; C532-C547 CovalentContact SG-SG 2.04Å; C532-C547 PolarHBondContact SG-SG 3.5Å
533	F	82.4	Confident	80.6	Confident	77 Å²	77	76.7 Å²	76.7	34%	0.338	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62.4	140.2	-179.7	-62.7	-45.5	0	0	0	111.2	N53 R522 D524 Y542	N53-F533 HydrophobicContact CB-CE1 4.22Å; R522-F533 VanDerWaalsContact O-CD2 3.3Å; R522-F533 WeakPolarHBondContact O-CD2 3.22Å; R522-F533 PolarHBondContact O-N 3.48Å; D524-F533 HydrophobicContact CB-CE1 4.38Å; D524-F533 WeakPolarHBondContact OD1-CE1 3.34Å; D524-F533 WeakPolarHBondContact OD1-CZ 3.5Å; F533-Y542 HydrophobicContact CB-CD2 4.39Å; F533-Y542 WeakPolarHBondContact O-CD2 3.05Å
534	K	77.6	Confident	80.8	Confident	187 Å²	187	78.2 Å²	78.2	81%	0.813	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-85.4	130.4	171	-65.6	180	179.6	176.4	0	108.5
535	R	78.7	Confident	81.2	Confident	95 Å²	95	82.7 Å²	82.7	36%	0.358	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-89.1	161.8	177.6	-66.7	-179	60.1	118.6	-0.4	110.9	N537 E540 Y542	R535-N537 VanDerWaalsContact C-N 3.28Å; R535-N537 PolarHBondContact O-N 2.68Å; R535-E540 HydrophobicContact CB-CB 4.16Å; R535-E540 IonicContact CZ-OE2 2.71Å; R535-E540 IonicContact NE-OE2 3.96Å; R535-E540 PolarHBondContact NE-OE2 2.92Å; R535-E540 IonicContact NH2-OE2 3.26Å; R535-E540 PolarHBondContact NH2-OE2 2.99Å; R535-Y542 HydrophobicContact CG-CD2 4.23Å; R535-Y542 HydrophobicContact CG-CE2 3.75Å; R535-Y542 PolarHBondContact NH1-OH 2.99Å
536	E	76.4	Confident	81.6	Confident	204 Å²	204	83.5 Å²	83.5	95%	0.953	42%	0.418	S	S	*	.	S	Bend	trans	-58.9	-41.4	176.8	-67.3	-179.9	171.6	0	0	111.8	I538	E536-I538 PolarHBondContact O-N 3.46Å
537	N	76.9	Confident	82.4	Confident	71 Å²	71	80.6 Å²	80.6	38%	0.38	40%	0.402	S	S	.	.	S	Bend	trans	-79.3	111.3	170.9	-173.5	-6	0	0	0	109.4	R535 N539 E540	R535-N537 VanDerWaalsContact C-N 3.28Å; R535-N537 PolarHBondContact O-N 2.68Å; N537-N539 PolarHBondContact O-N 2.91Å; N537-N539 VanDerWaalsContact O-N 3.1Å; N537-N539 WeakPolarHBondContact OD1-CB 3.49Å; N537-N539 PolarHBondContact OD1-N 3.11Å; N537-N539 VanDerWaalsContact OD1-N 3.16Å; N537-E540 HydrophobicContact CB-CB 4.27Å; N537-E540 HydrophobicContact CB-CG 3.95Å; N537-E540 PolarHBondContact ND2-OE1 3.46Å; N537-E540 WeakPolarHBondContact O-CB 3.47Å; N537-E540 PolarHBondContact O-N 3.03Å
538	I	78.1	Confident	83.1	Confident	149 Å²	149	81 Å²	81	76%	0.764	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.2	-179.1	-70.4	165.8	0	0	0	112.4	E536 E540	E536-I538 PolarHBondContact O-N 3.46Å; I538-E540 VanDerWaalsContact C-N 3.3Å
539	N	79.8	Confident	83.8	Confident	121 Å²	121	81 Å²	81	65%	0.647	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.2	177.9	-62.4	-32.5	0	0	0	113.1	N537 N551	N537-N539 PolarHBondContact O-N 2.91Å; N537-N539 VanDerWaalsContact O-N 3.1Å; N537-N539 WeakPolarHBondContact OD1-CB 3.49Å; N537-N539 PolarHBondContact OD1-N 3.11Å; N537-N539 VanDerWaalsContact OD1-N 3.16Å; N539-N551 PolarHBondContact O-ND2 2.72Å; N539-N551 PolarHBondContact O-OD1 3.39Å
540	E	84.8	Confident	84.1	Confident	45 Å²	45	71.9 Å²	71.9	21%	0.21	36%	0.363	C	S	.	.			trans	-96.3	110.3	178.3	-68	177.5	-175.1	0	0	110.3	R535 N537 I538 N551 F552	R535-E540 HydrophobicContact CB-CB 4.16Å; R535-E540 IonicContact CZ-OE2 2.71Å; R535-E540 IonicContact NE-OE2 3.96Å; R535-E540 PolarHBondContact NE-OE2 2.92Å; R535-E540 IonicContact NH2-OE2 3.26Å; R535-E540 PolarHBondContact NH2-OE2 2.99Å; N537-E540 HydrophobicContact CB-CB 4.27Å; N537-E540 HydrophobicContact CB-CG 3.95Å; N537-E540 PolarHBondContact ND2-OE1 3.46Å; N537-E540 WeakPolarHBondContact O-CB 3.47Å; N537-E540 PolarHBondContact O-N 3.03Å; I538-E540 VanDerWaalsContact C-N 3.3Å; E540-N551 WeakPolarHBondContact CA-OD1 3.44Å; E540-F552 HydrophobicContact CB-CD1 3.56Å; E540-F552 HydrophobicContact CB-CE1 3.94Å; E540-F552 HydrophobicContact CB-CG 4.27Å; E540-F552 HydrophobicContact CG-CB 4.02Å; E540-F552 HydrophobicContact CG-CD1 3.81Å; E540-F552 HydrophobicContact CG-CG 4.01Å
541	I	85.8	Confident	84.2	Confident	92 Å²	92	73.4 Å²	73.4	47%	0.472	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-123	125.3	-170.3	-58	171.9	0	0	0	109	D550 N551	I541-D550 WeakPolarHBondContact O-CA 3.33Å; I541-N551 PolarHBondContact N-OD1 2.87Å; I541-N551 PolarHBondContact O-N 3.25Å; I541-N551 PolarHBondContact O-OD1 3.47Å
542	Y	87.7	Confident	84.4	Confident	44 Å²	44	70.8 Å²	70.8	17%	0.173	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.4	160	-65.1	-61	0	0	0	109.1	R522 C532 F533 R535 C549 D550 F552	R522-Y542 HydrophobicContact CB-CD1 4.23Å; R522-Y542 HydrophobicContact CB-CD2 4.5Å; R522-Y542 HydrophobicContact CB-CE1 4.42Å; R522-Y542 HydrophobicContact CB-CG 4.28Å; R522-Y542 HydrophobicContact CG-CD1 4.31Å; R522-Y542 HydrophobicContact CG-CE1 4.11Å; C532-Y542 WeakPolarHBondContact CB-O 3.42Å; F533-Y542 HydrophobicContact CB-CD2 4.39Å; F533-Y542 WeakPolarHBondContact O-CD2 3.05Å; R535-Y542 HydrophobicContact CG-CD2 4.23Å; R535-Y542 HydrophobicContact CG-CE2 3.75Å; R535-Y542 PolarHBondContact NH1-OH 2.99Å; Y542-C549 CarbonylContact C-O 3.55Å; Y542-C549 VanDerWaalsContact CA-O 3.3Å; Y542-C549 WeakPolarHBondContact CA-O 3.49Å; Y542-D550 HydrophobicContact CD1-CB 3.79Å; Y542-D550 HydrophobicContact CE1-CB 4.05Å; Y542-F552 HydrophobicContact CD1-CE1 4.28Å; Y542-F552 HydrophobicContact CD1-CZ 4.17Å; Y542-F552 AromaticContact CE1-CE1 3.97Å; Y542-F552 HydrophobicContact CE1-CE1 3.97Å; Y542-F552 AromaticContact CE1-CZ 3.43Å; Y542-F552 HydrophobicContact CE1-CZ 3.43Å; Y542-F552 VanDerWaalsContact CE1-CZ 3.43Å; Y542-F552 AromaticContact CZ-CZ 3.69Å
543	S	87.1	Confident	84.5	Confident	51 Å²	51	73.3 Å²	73.3	36%	0.357	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	175	-177.2	62.6	0	0	0	0	111.3	C547 E548 C549	S543-C547 CarbonylContact O-C 3.52Å; S543-C547 WeakPolarHBondContact O-CA 3.45Å; S543-E548 PolarHBondContact O-N 3Å; S543-C549 PolarHBondContact N-O 3.02Å; S543-C549 WeakPolarHBondContact O-CA 3.42Å; S543-C549 VanDerWaalsContact O-CB 3.28Å; S543-C549 WeakPolarHBondContact O-CB 3.34Å; S543-C549 PolarHBondContact O-N 3.36Å; S543-C549 VanDerWaalsContact OG-CB 3.3Å; S543-C549 WeakPolarHBondContact OG-CB 3.3Å
544	G	86.7	Confident	84.8	Confident	38 Å²	38	70 Å²	70	39%	0.392	35%	0.351	S	S	.	.	S	Bend	trans	101.8	167.1	-176.2	0	0	0	0	0	112.9	F546 C547 E548	G544-F546 PolarHBondContact O-N 3.46Å; G544-C547 PolarHBondContact O-N 3.07Å; G544-E548 WeakPolarHBondContact CA-OE2 2.98Å
545	Q	85.8	Confident	85.3	Confident	135 Å²	135	62.7 Å²	62.7	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-28.6	-177.2	179.2	178.5	4	0	0	112	C530 E548	C530-Q545 VanDerWaalsContact CB-O 3.25Å; C530-Q545 WeakPolarHBondContact CB-O 3.42Å; Q545-E548 PolarHBondContact N-OE1 3.04Å; Q545-E548 PolarHBondContact N-OE2 2.76Å
546	F	87.6	Confident	85.8	Confident	28 Å²	28	64.8 Å²	64.8	12%	0.123	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	15.2	-178.9	-55.3	-79.3	0	0	0	112.1	M507 K510 C519 E520 G544 E548	M507-F546 WeakPolarHBondContact O-CE1 2.98Å; K510-F546 HydrophobicContact CB-CB 4.46Å; K510-F546 HydrophobicContact CB-CD1 4.42Å; K510-F546 HydrophobicContact CB-CD2 4.04Å; K510-F546 HydrophobicContact CB-CE2 4.38Å; K510-F546 HydrophobicContact CB-CG 4.05Å; K510-F546 HydrophobicContact CG-CD2 4.01Å; K510-F546 HydrophobicContact CG-CE2 4.26Å; C519-F546 CarbonylContact C-O 3.55Å; C519-F546 VanDerWaalsContact CA-O 3.27Å; C519-F546 WeakPolarHBondContact CA-O 2.92Å; E520-F546 HydrophobicContact CG-CB 4.36Å; G544-F546 PolarHBondContact O-N 3.46Å; F546-E548 VanDerWaalsContact C-OE2 3.26Å; F546-E548 VanDerWaalsContact CA-OE2 3.28Å; F546-E548 WeakPolarHBondContact CA-OE2 3.49Å; F546-E548 WeakPolarHBondContact CB-OE2 3.16Å; F546-E548 PolarHBondContact N-OE2 2.89Å; F546-E548 PolarHBondContact O-N 2.85Å
547	C	90	Very high	86.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	61.2	25.6	-173.9	-51.3	0	0	0	0	114.4	R522 C532 S543 G544 C549	R522-C547 HydrophobicContact CB-CB 3.87Å; R522-C547 WeakPolarHBondContact CD-O 3.38Å; C532-C547 WeakPolarHBondContact CA-SG 3.45Å; C532-C547 HydrophobicContact CB-CB 3.73Å; C532-C547 WeakPolarHBondContact CB-SG 3.34Å; C532-C547 PolarHBondContact N-SG 3.37Å; C532-C547 WeakPolarHBondContact SG-CA 3.33Å; C532-C547 WeakPolarHBondContact SG-CB 2.97Å; C532-C547 CovalentContact SG-SG 2.04Å; C532-C547 PolarHBondContact SG-SG 3.5Å; S543-C547 CarbonylContact O-C 3.52Å; S543-C547 WeakPolarHBondContact O-CA 3.45Å; G544-C547 PolarHBondContact O-N 3.07Å; C547-C549 VanDerWaalsContact C-N 3.31Å; C547-C549 PolarHBondContact O-N 3.22Å
548	E	87.2	Confident	86.4	Confident	47 Å²	47	63.9 Å²	63.9	22%	0.22	32%	0.322	C	S	.	.			trans	-73.4	-21.4	-176.8	71.1	-79.6	-168.6	0	0	113.6	E520 S543 G544 Q545 F546 Q571	E520-E548 HydrophobicContact CG-CB 4.13Å; S543-E548 PolarHBondContact O-N 3Å; G544-E548 WeakPolarHBondContact CA-OE2 2.98Å; Q545-E548 PolarHBondContact N-OE1 3.04Å; Q545-E548 PolarHBondContact N-OE2 2.76Å; F546-E548 VanDerWaalsContact C-OE2 3.26Å; F546-E548 VanDerWaalsContact CA-OE2 3.28Å; F546-E548 WeakPolarHBondContact CA-OE2 3.49Å; F546-E548 WeakPolarHBondContact CB-OE2 3.16Å; F546-E548 PolarHBondContact N-OE2 2.89Å; F546-E548 PolarHBondContact O-N 2.85Å; E548-Q571 PolarHBondContact O-NE2 2.77Å
549	C	90.1	Very high	86.7	Confident	16 Å²	16	66.4 Å²	66.4	11%	0.108	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	148.2	-179	-67.3	0	0	0	0	111.2	Y542 S543 C547 C570	Y542-C549 CarbonylContact C-O 3.55Å; Y542-C549 VanDerWaalsContact CA-O 3.3Å; Y542-C549 WeakPolarHBondContact CA-O 3.49Å; S543-C549 PolarHBondContact N-O 3.02Å; S543-C549 WeakPolarHBondContact O-CA 3.42Å; S543-C549 VanDerWaalsContact O-CB 3.28Å; S543-C549 WeakPolarHBondContact O-CB 3.34Å; S543-C549 PolarHBondContact O-N 3.36Å; S543-C549 VanDerWaalsContact OG-CB 3.3Å; S543-C549 WeakPolarHBondContact OG-CB 3.3Å; C547-C549 VanDerWaalsContact C-N 3.31Å; C547-C549 PolarHBondContact O-N 3.22Å; C549-C570 VanDerWaalsContact CA-SG 3.58Å; C549-C570 HydrophobicContact CB-CB 3.59Å; C549-C570 WeakPolarHBondContact CB-SG 3.46Å; C549-C570 WeakPolarHBondContact SG-CB 3.37Å; C549-C570 CovalentContact SG-SG 2.04Å; C549-C570 PolarHBondContact SG-SG 3.18Å
550	D	89.3	Confident	87.1	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.9	166	68.4	69.7	0	0	0	110	R522 I541 Y542 F552 N553 C570 Q571	R522-D550 IonicContact CZ-OD2 2.98Å; R522-D550 IonicContact NH1-OD2 2.95Å; R522-D550 PolarHBondContact NH1-OD2 2.96Å; R522-D550 IonicContact NH2-OD2 3.3Å; I541-D550 WeakPolarHBondContact O-CA 3.33Å; Y542-D550 HydrophobicContact CD1-CB 3.79Å; Y542-D550 HydrophobicContact CE1-CB 4.05Å; D550-F552 HydrophobicContact CB-CD1 4.08Å; D550-F552 HydrophobicContact CB-CE1 3.62Å; D550-F552 HydrophobicContact CB-CE2 4.37Å; D550-F552 HydrophobicContact CB-CZ 3.78Å; D550-F552 PolarHBondContact OD1-N 3.37Å; D550-N553 VanDerWaalsContact CG-ND2 3.33Å; D550-N553 WeakPolarHBondContact OD1-CA 3.41Å; D550-N553 WeakPolarHBondContact OD1-CB 3.23Å; D550-N553 PolarHBondContact OD1-N 2.84Å; D550-N553 PolarHBondContact OD1-ND2 3.27Å; D550-N553 PolarHBondContact OD2-ND2 3.32Å; D550-C570 WeakPolarHBondContact O-CA 3.38Å; D550-Q571 PolarHBondContact O-N 2.02Å
551	N	87.9	Confident	87.2	Confident	45 Å²	45	67.3 Å²	67.3	24%	0.241	33%	0.327	C	S	.	.	S	Bend	trans	-105	18.5	-178.4	73.4	-20.2	0	0	0	113.5	N539 E540 I541 L561 C568	N539-N551 PolarHBondContact O-ND2 2.72Å; N539-N551 PolarHBondContact O-OD1 3.39Å; E540-N551 WeakPolarHBondContact CA-OD1 3.44Å; I541-N551 PolarHBondContact N-OD1 2.87Å; I541-N551 PolarHBondContact O-N 3.25Å; I541-N551 PolarHBondContact O-OD1 3.47Å; N551-L561 WeakPolarHBondContact O-CD2 3.33Å; N551-C568 VanDerWaalsContact CA-SG 3.53Å; N551-C568 WeakPolarHBondContact CB-O 3.41Å; N551-C568 WeakPolarHBondContact O-CB 3.35Å; N551-C568 PolarHBondContact O-SG 3.15Å
552	F	86.9	Confident	87.4	Confident	13 Å²	13	62.9 Å²	62.9	6%	0.057	30%	0.304	C	S	.	.	S	Bend	trans	-134.8	-11.4	-173.9	56	-97.9	0	0	0	115	E540 Y542 D550 C554 R556	E540-F552 HydrophobicContact CB-CD1 3.56Å; E540-F552 HydrophobicContact CB-CE1 3.94Å; E540-F552 HydrophobicContact CB-CG 4.27Å; E540-F552 HydrophobicContact CG-CB 4.02Å; E540-F552 HydrophobicContact CG-CD1 3.81Å; E540-F552 HydrophobicContact CG-CG 4.01Å; Y542-F552 HydrophobicContact CD1-CE1 4.28Å; Y542-F552 HydrophobicContact CD1-CZ 4.17Å; Y542-F552 AromaticContact CE1-CE1 3.97Å; Y542-F552 HydrophobicContact CE1-CE1 3.97Å; Y542-F552 AromaticContact CE1-CZ 3.43Å; Y542-F552 HydrophobicContact CE1-CZ 3.43Å; Y542-F552 VanDerWaalsContact CE1-CZ 3.43Å; Y542-F552 AromaticContact CZ-CZ 3.69Å; D550-F552 HydrophobicContact CB-CD1 4.08Å; D550-F552 HydrophobicContact CB-CE1 3.62Å; D550-F552 HydrophobicContact CB-CE2 4.37Å; D550-F552 HydrophobicContact CB-CZ 3.78Å; D550-F552 PolarHBondContact OD1-N 3.37Å; F552-C554 VanDerWaalsContact C-N 3.32Å; F552-R556 PolarHBondContact O-NH1 3.32Å; F552-R556 PolarHBondContact O-NH2 3.21Å
553	N	87.9	Confident	87.4	Confident	82 Å²	82	61.3 Å²	61.3	44%	0.439	30%	0.3	S	S	.	.	S	Bend	trans	-93.5	30.8	170.2	-64.9	-42.6	0	0	0	113	D550 Q571	D550-N553 VanDerWaalsContact CG-ND2 3.33Å; D550-N553 WeakPolarHBondContact OD1-CA 3.41Å; D550-N553 WeakPolarHBondContact OD1-CB 3.23Å; D550-N553 PolarHBondContact OD1-N 2.84Å; D550-N553 PolarHBondContact OD1-ND2 3.27Å; D550-N553 PolarHBondContact OD2-ND2 3.32Å; N553-Q571 HydrophobicContact CB-CG 4.4Å
554	C	89.6	Confident	87.4	Confident	6 Å²	6	61 Å²	61	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-77	159.6	170.6	-75.6	0	0	0	0	113	F552 R556 L561 C568 Q571 Q572	F552-C554 VanDerWaalsContact C-N 3.32Å; C554-R556 PolarHBondContact O-N 3.47Å; C554-L561 HydrophobicContact CB-CD1 3.67Å; C554-L561 HydrophobicContact CB-CG 4.22Å; C554-C568 HydrophobicContact CB-CB 3.67Å; C554-C568 WeakPolarHBondContact CB-SG 3.03Å; C554-C568 WeakPolarHBondContact SG-CA 3.24Å; C554-C568 WeakPolarHBondContact SG-CB 3.4Å; C554-C568 CovalentContact SG-SG 2Å; C554-C568 PolarHBondContact SG-SG 2.94Å; C554-Q571 VanDerWaalsContact SG-CA 3.53Å; C554-Q572 PolarHBondContact SG-N 3.08Å; C554-Q572 PolarHBondContact SG-O 3.05Å; C554-Q572 VanDerWaalsContact SG-O 3.42Å
555	P	88.1	Confident	87.6	Confident	34 Å²	34	62 Å²	62	22%	0.221	30%	0.3	C	S	.	.			trans	-49.3	130.7	171.3	-28.5	36	0	0	0	112.6	C562 R582 A583	P555-C562 PolarHBondContact O-N 2.02Å; P555-R582 HydrophobicContact CG-CG 4.07Å; P555-A583 HydrophobicContact CB-CB 3.72Å
556	R	88.9	Confident	87.8	Confident	139 Å²	139	56.2 Å²	56.2	53%	0.525	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.3	177.8	-72.7	-179.7	163.3	87.8	-0.8	110	F552 C554 K560 L561	F552-R556 PolarHBondContact O-NH1 3.32Å; F552-R556 PolarHBondContact O-NH2 3.21Å; C554-R556 PolarHBondContact O-N 3.47Å; R556-K560 CarbonylContact C-O 3.53Å; R556-K560 VanDerWaalsContact CA-O 3.24Å; R556-K560 WeakPolarHBondContact CA-O 2.95Å; R556-L561 HydrophobicContact CG-CD1 4.21Å
557	H	82.3	Confident	88	Confident	80 Å²	80	59.3 Å²	59.3	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	169.2	-170.7	79.8	0	0	0	108.5	K559 K560 A563 A583 E585	H557-K559 VanDerWaalsContact C-N 3.25Å; H557-K559 PolarHBondContact O-N 3.4Å; H557-K560 PolarHBondContact N-O 3.45Å; H557-K560 PolarHBondContact O-N 3.5Å; H557-A563 HydrophobicContact CB-CB 3.93Å; H557-A583 HydrophobicContact CB-CB 4.28Å; H557-E585 HydrophobicContact CB-CB 4.28Å
558	K	82.3	Confident	88	Confident	177 Å²	177	60.1 Å²	60.1	77%	0.77	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	44.1	-173.3	-62.9	177	-177.3	177.4	0	113.5	K560	K558-K560 PolarHBondContact O-N 3.05Å; K558-K560 VanDerWaalsContact O-N 3.1Å
559	K	85.2	Confident	88.1	Confident	202 Å²	202	62 Å²	62	88%	0.878	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	2.1	-176.7	-54.3	179	178.7	179.2	0	115.7	H557	H557-K559 VanDerWaalsContact C-N 3.25Å; H557-K559 PolarHBondContact O-N 3.4Å
560	K	87.6	Confident	88	Confident	132 Å²	132	63.7 Å²	63.7	57%	0.574	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.7	174.5	-64.3	-175.5	179.8	-177.4	0	110.7	R556 H557 K558 C562 A563	R556-K560 CarbonylContact C-O 3.53Å; R556-K560 VanDerWaalsContact CA-O 3.24Å; R556-K560 WeakPolarHBondContact CA-O 2.95Å; H557-K560 PolarHBondContact N-O 3.45Å; H557-K560 PolarHBondContact O-N 3.5Å; K558-K560 PolarHBondContact O-N 3.05Å; K558-K560 VanDerWaalsContact O-N 3.1Å; K560-C562 PolarHBondContact O-N 2.7Å; K560-A563 PolarHBondContact O-N 2.89Å
561	L	87	Confident	87.9	Confident	52 Å²	52	67.5 Å²	67.5	27%	0.272	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.4	173.8	-165.9	73	0	0	0	109.1	N551 C554 R556 A563 G564 C568	N551-L561 WeakPolarHBondContact O-CD2 3.33Å; C554-L561 HydrophobicContact CB-CD1 3.67Å; C554-L561 HydrophobicContact CB-CG 4.22Å; R556-L561 HydrophobicContact CG-CD1 4.21Å; L561-A563 PolarHBondContact O-N 3.08Å; L561-A563 VanDerWaalsContact O-N 3.13Å; L561-G564 PolarHBondContact O-N 3.5Å; L561-C568 HydrophobicContact CD2-CB 3.69Å; L561-C568 HydrophobicContact CG-CB 4.16Å
562	C	90.5	Very high	88	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	50	38.5	-175.7	-53.7	0	0	0	0	113.3	P555 K560 G564 H565 G566 C573 A583	P555-C562 PolarHBondContact O-N 2.02Å; K560-C562 PolarHBondContact O-N 2.7Å; C562-G564 PolarHBondContact O-N 3.43Å; C562-H565 PolarHBondContact O-N 2.76Å; C562-G566 WeakPolarHBondContact CB-O 3.35Å; C562-G566 PolarHBondContact O-N 3.26Å; C562-C573 WeakPolarHBondContact CA-SG 2.97Å; C562-C573 HydrophobicContact CB-CB 3.72Å; C562-C573 WeakPolarHBondContact CB-SG 3.45Å; C562-C573 WeakPolarHBondContact SG-CA 3.02Å; C562-C573 WeakPolarHBondContact SG-CB 3.34Å; C562-C573 CovalentContact SG-SG 2.04Å; C562-C573 PolarHBondContact SG-SG 3.06Å; C562-A583 CarbonylContact C-O 2.98Å; C562-A583 WeakPolarHBondContact CA-O 3.27Å; C562-A583 VanDerWaalsContact O-O 3.11Å
563	A	87.6	Confident	88.2	Confident	10 Å²	10	72.9 Å²	72.9	8%	0.083	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	57.2	1.2	-175.3	0	0	0	0	0	115.5	H557 K560 L561 H565 A583	H557-A563 HydrophobicContact CB-CB 3.93Å; K560-A563 PolarHBondContact O-N 2.89Å; L561-A563 PolarHBondContact O-N 3.08Å; L561-A563 VanDerWaalsContact O-N 3.13Å; A563-H565 VanDerWaalsContact C-N 3.34Å; A563-A583 WeakPolarHBondContact CB-O 3.47Å; A563-A583 PolarHBondContact N-O 3.26Å; A563-A583 VanDerWaalsContact N-O 3.12Å
564	G	87.9	Confident	88.4	Confident	46 Å²	46	75.8 Å²	75.8	47%	0.474	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	82.7	8.2	-165.5	0	0	0	0	0	114.3	L561 C562	L561-G564 PolarHBondContact O-N 3.5Å; C562-G564 PolarHBondContact O-N 3.43Å
565	H	90.2	Very high	88.4	Confident	59 Å²	59	77.4 Å²	77.4	27%	0.273	39%	0.388	S	S	.	.	S	Bend	trans	-121.7	24	-175.9	-57.2	-57.6	0	0	0	112.7	C562 A563 H576 W579 C584	C562-H565 PolarHBondContact O-N 2.76Å; A563-H565 VanDerWaalsContact C-N 3.34Å; H565-H576 WeakPolarHBondContact O-CB 2.95Å; H565-H576 VanDerWaalsContact O-CG 3.29Å; H565-H576 PolarHBondContact O-N 2.99Å; H565-W579 HydrophobicContact CB-CB 4Å; H565-W579 HydrophobicContact CB-CD2 3.72Å; H565-W579 HydrophobicContact CB-CE3 4.28Å; H565-W579 HydrophobicContact CB-CG 3.55Å; H565-W579 AromaticContact CD2-CD2 3.66Å; H565-W579 AromaticContact CD2-CE2 3.72Å; H565-W579 AromaticContact CD2-CE3 3.6Å; H565-W579 AromaticContact CD2-CH2 3.72Å; H565-W579 AromaticContact CD2-CZ2 3.77Å; H565-W579 AromaticContact CD2-CZ3 3.63Å; H565-W579 AromaticContact CE1-CE2 3.69Å; H565-W579 AromaticContact CE1-CH2 3.9Å; H565-W579 AromaticContact CE1-CZ2 3.42Å; H565-W579 VanDerWaalsContact CE1-CZ2 3.42Å; H565-W579 WeakPolarHBondContact CE1-CZ2 3.26Å; H565-W579 AromaticContact CG-CD2 3.52Å; H565-W579 AromaticContact CG-CE2 3.5Å; H565-W579 AromaticContact CG-CE3 3.95Å; H565-W579 AromaticContact CG-CG 3.88Å; H565-W579 AromaticContact CG-CZ2 3.95Å; H565-W579 AromaticContact CG-NE1 3.8Å; H565-W579 AromaticContact ND1-CE2 3.49Å; H565-W579 AromaticContact ND1-CZ2 3.74Å; H565-W579 AromaticContact ND1-NE1 3.58Å; H565-W579 AromaticContact NE2-CE2 3.87Å; H565-W579 AromaticContact NE2-CH2 3.44Å; H565-W579 WeakPolarHBondContact NE2-CH2 3.39Å; H565-W579 AromaticContact NE2-CZ2 3.47Å; H565-W579 WeakPolarHBondContact NE2-CZ2 3.27Å; H565-W579 AromaticContact NE2-CZ3 3.84Å; H565-C584 HydrophobicContact CB-CB 4.11Å
566	G	90.6	Very high	88.6	Confident	12 Å²	12	79.2 Å²	79.2	12%	0.124	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	162.4	176	0	0	0	0	0	113.1	C562 K574	C562-G566 WeakPolarHBondContact CB-O 3.35Å; C562-G566 PolarHBondContact O-N 3.26Å; G566-K574 CarbonylContact C-O 3.59Å; G566-K574 WeakPolarHBondContact CA-O 2.83Å
567	D	91.1	Very high	88.7	Confident	94 Å²	94	78.8 Å²	78.8	50%	0.503	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.1	175.3	-63.3	-50.2	0	0	0	110	V569 K574 H576	D567-V569 HydrophobicContact CB-CG2 4.49Å; D567-V569 PolarHBondContact O-N 2.93Å; D567-K574 PolarHBondContact N-O 3.34Å; D567-K574 PolarHBondContact O-N 3.34Å; D567-H576 IonicContact OD1-NE2 3.93Å
568	C	89.7	Confident	88.9	Confident	17 Å²	17	76.9 Å²	76.9	12%	0.115	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	110.2	174.7	-178.9	0	0	0	0	110.3	N551 C554 L561	N551-C568 VanDerWaalsContact CA-SG 3.53Å; N551-C568 WeakPolarHBondContact CB-O 3.41Å; N551-C568 WeakPolarHBondContact O-CB 3.35Å; N551-C568 PolarHBondContact O-SG 3.15Å; C554-C568 HydrophobicContact CB-CB 3.67Å; C554-C568 WeakPolarHBondContact CB-SG 3.03Å; C554-C568 WeakPolarHBondContact SG-CA 3.24Å; C554-C568 WeakPolarHBondContact SG-CB 3.4Å; C554-C568 CovalentContact SG-SG 2Å; C554-C568 PolarHBondContact SG-SG 2.94Å; L561-C568 HydrophobicContact CD2-CB 3.69Å; L561-C568 HydrophobicContact CG-CB 4.16Å
569	V	88.9	Confident	89.2	Confident	87 Å²	87	72.3 Å²	72.3	53%	0.527	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.4	178.3	-175.5	0	0	0	0	108.3	D567 Q571 Q572 K574	D567-V569 HydrophobicContact CB-CG2 4.49Å; D567-V569 PolarHBondContact O-N 2.93Å; V569-Q571 PolarHBondContact O-N 2.86Å; V569-Q572 PolarHBondContact N-O 3.26Å; V569-Q572 PolarHBondContact O-N 3.25Å; V569-Q572 VanDerWaalsContact O-N 3.08Å; V569-K574 HydrophobicContact CG2-CB 4.45Å
570	C	89	Confident	89.5	Confident	50 Å²	50	66.3 Å²	66.3	34%	0.338	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	59.4	-179.6	-165.5	0	0	0	0	112.9	C549 D550 Q572	C549-C570 VanDerWaalsContact CA-SG 3.58Å; C549-C570 HydrophobicContact CB-CB 3.59Å; C549-C570 WeakPolarHBondContact CB-SG 3.46Å; C549-C570 WeakPolarHBondContact SG-CB 3.37Å; C549-C570 CovalentContact SG-SG 2.04Å; C549-C570 PolarHBondContact SG-SG 3.18Å; D550-C570 WeakPolarHBondContact O-CA 3.38Å; C570-Q572 PolarHBondContact O-N 3.41Å
571	Q	87.4	Confident	89.5	Confident	81 Å²	81	61.8 Å²	61.8	38%	0.379	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	7.8	178.7	-49.9	172.4	50.1	0	0	115.6	E548 D550 N553 C554 V569	E548-Q571 PolarHBondContact O-NE2 2.77Å; D550-Q571 PolarHBondContact O-N 2.02Å; N553-Q571 HydrophobicContact CB-CG 4.4Å; C554-Q571 VanDerWaalsContact SG-CA 3.53Å; V569-Q571 PolarHBondContact O-N 2.86Å
572	Q	89.4	Confident	89.6	Confident	149 Å²	149	69.5 Å²	69.5	70%	0.696	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	172.9	-61.7	-176.4	3.7	0	0	111.7	C554 V569 C570	C554-Q572 PolarHBondContact SG-N 3.08Å; C554-Q572 PolarHBondContact SG-O 3.05Å; C554-Q572 VanDerWaalsContact SG-O 3.42Å; V569-Q572 PolarHBondContact N-O 3.26Å; V569-Q572 PolarHBondContact O-N 3.25Å; V569-Q572 VanDerWaalsContact O-N 3.08Å; C570-Q572 PolarHBondContact O-N 3.41Å
573	C	90.6	Very high	89.5	Confident	22 Å²	22	69.9 Å²	69.9	15%	0.149	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.6	177.4	-70.9	0	0	0	0	111.4	C562	C562-C573 WeakPolarHBondContact CA-SG 2.97Å; C562-C573 HydrophobicContact CB-CB 3.72Å; C562-C573 WeakPolarHBondContact CB-SG 3.45Å; C562-C573 WeakPolarHBondContact SG-CA 3.02Å; C562-C573 WeakPolarHBondContact SG-CB 3.34Å; C562-C573 CovalentContact SG-SG 2.04Å; C562-C573 PolarHBondContact SG-SG 3.06Å
574	K	91.6	Very high	89.7	Confident	143 Å²	143	69.4 Å²	69.4	62%	0.622	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.6	166	-176.5	-174.8	177.9	-174	0	109	G566 D567 V569	G566-K574 CarbonylContact C-O 3.59Å; G566-K574 WeakPolarHBondContact CA-O 2.83Å; D567-K574 PolarHBondContact N-O 3.34Å; D567-K574 PolarHBondContact O-N 3.34Å; V569-K574 HydrophobicContact CG2-CB 4.45Å
575	C	91.4	Very high	89.8	Confident	39 Å²	39	70.2 Å²	70.2	26%	0.264	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.8	-174.9	-52.8	0	0	0	0	113.4	W579 G581 C584	C575-W579 HydrophobicContact CB-CB 4.34Å; C575-W579 WeakPolarHBondContact CB-O 3.5Å; C575-G581 PolarHBondContact SG-O 3.41Å; C575-C584 WeakPolarHBondContact CA-SG 3.25Å; C575-C584 HydrophobicContact CB-CB 3.64Å; C575-C584 WeakPolarHBondContact CB-SG 3.45Å; C575-C584 PolarHBondContact N-SG 2.61Å; C575-C584 WeakPolarHBondContact SG-CA 3.2Å; C575-C584 WeakPolarHBondContact SG-CB 3.04Å; C575-C584 CovalentContact SG-SG 2.03Å; C575-C584 PolarHBondContact SG-SG 2.91Å
576	H	92	Very high	89.6	Confident	72 Å²	72	68.3 Å²	68.3	33%	0.333	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.9	154	170	-60.5	162.8	0	0	0	110	H565 D567 G578 W579	H565-H576 WeakPolarHBondContact O-CB 2.95Å; H565-H576 VanDerWaalsContact O-CG 3.29Å; H565-H576 PolarHBondContact O-N 2.99Å; D567-H576 IonicContact OD1-NE2 3.93Å; H576-G578 PolarHBondContact O-N 3.22Å; H576-W579 PolarHBondContact O-N 3.14Å; H576-W579 VanDerWaalsContact O-N 3.08Å
577	P	89.8	Confident	89.4	Confident	130 Å²	130	69.8 Å²	69.8	84%	0.844	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	133.3	175.8	-26	34.6	0	0	0	112.1
578	G	86.6	Confident	89.1	Confident	41 Å²	41	69.5 Å²	69.5	42%	0.423	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-2.1	-177.2	0	0	0	0	0	115.1	H576 P587 V588	H576-G578 PolarHBondContact O-N 3.22Å; G578-P587 CarbonylContact O-C 3.5Å; G578-P587 WeakPolarHBondContact O-CA 2.67Å; G578-V588 WeakPolarHBondContact O-CG2 3.4Å; G578-V588 PolarHBondContact O-N 3.48Å
579	W	90.1	Very high	88.8	Confident	80 Å²	80	71.4 Å²	71.4	30%	0.303	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	176	-61.9	86.9	0	0	0	111.7	H565 C575 H576 C584 C586 P587	H565-W579 HydrophobicContact CB-CB 4Å; H565-W579 HydrophobicContact CB-CD2 3.72Å; H565-W579 HydrophobicContact CB-CE3 4.28Å; H565-W579 HydrophobicContact CB-CG 3.55Å; H565-W579 AromaticContact CD2-CD2 3.66Å; H565-W579 AromaticContact CD2-CE2 3.72Å; H565-W579 AromaticContact CD2-CE3 3.6Å; H565-W579 AromaticContact CD2-CH2 3.72Å; H565-W579 AromaticContact CD2-CZ2 3.77Å; H565-W579 AromaticContact CD2-CZ3 3.63Å; H565-W579 AromaticContact CE1-CE2 3.69Å; H565-W579 AromaticContact CE1-CH2 3.9Å; H565-W579 AromaticContact CE1-CZ2 3.42Å; H565-W579 VanDerWaalsContact CE1-CZ2 3.42Å; H565-W579 WeakPolarHBondContact CE1-CZ2 3.26Å; H565-W579 AromaticContact CG-CD2 3.52Å; H565-W579 AromaticContact CG-CE2 3.5Å; H565-W579 AromaticContact CG-CE3 3.95Å; H565-W579 AromaticContact CG-CG 3.88Å; H565-W579 AromaticContact CG-CZ2 3.95Å; H565-W579 AromaticContact CG-NE1 3.8Å; H565-W579 AromaticContact ND1-CE2 3.49Å; H565-W579 AromaticContact ND1-CZ2 3.74Å; H565-W579 AromaticContact ND1-NE1 3.58Å; H565-W579 AromaticContact NE2-CE2 3.87Å; H565-W579 AromaticContact NE2-CH2 3.44Å; H565-W579 WeakPolarHBondContact NE2-CH2 3.39Å; H565-W579 AromaticContact NE2-CZ2 3.47Å; H565-W579 WeakPolarHBondContact NE2-CZ2 3.27Å; H565-W579 AromaticContact NE2-CZ3 3.84Å; C575-W579 HydrophobicContact CB-CB 4.34Å; C575-W579 WeakPolarHBondContact CB-O 3.5Å; H576-W579 PolarHBondContact O-N 3.14Å; H576-W579 VanDerWaalsContact O-N 3.08Å; W579-C584 HydrophobicContact CB-CB 4.34Å; W579-C586 CarbonylContact C-O 3.54Å; W579-C586 VanDerWaalsContact CA-O 3.27Å; W579-C586 WeakPolarHBondContact CA-O 3.42Å; W579-P587 HydrophobicContact CH2-CB 4.47Å; W579-P587 HydrophobicContact CZ3-CB 4.24Å
580	V	89.6	Confident	88.5	Confident	77 Å²	77	71.9 Å²	71.9	47%	0.467	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172	178	-63.3	0	0	0	0	110	C584 E585 C586 V588	V580-C584 CarbonylContact O-C 3.54Å; V580-C584 WeakPolarHBondContact O-CA 3.33Å; V580-E585 PolarHBondContact O-N 3.17Å; V580-C586 HydrophobicContact CG2-CB 3.82Å; V580-C586 PolarHBondContact N-O 2.88Å; V580-C586 WeakPolarHBondContact O-CB 3.06Å; V580-C586 PolarHBondContact O-N 2.72Å; V580-V588 HydrophobicContact CG1-CG2 3.81Å; V580-V588 HydrophobicContact CG2-CG2 4.41Å
581	G	88.3	Confident	88.2	Confident	37 Å²	37	75.2 Å²	75.2	38%	0.381	40%	0.403	S	S	.	.	S	Bend	trans	108.8	166.5	-177.1	0	0	0	0	0	112.6	C575 A583 C584	C575-G581 PolarHBondContact SG-O 3.41Å; G581-A583 PolarHBondContact O-N 2.82Å; G581-C584 PolarHBondContact O-N 2.02Å
582	R	89.9	Confident	87.9	Confident	213 Å²	213	75 Å²	75	80%	0.804	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.5	-174	-172.6	-179	175	169.2	0.1	112	P555 E585	P555-R582 HydrophobicContact CG-CG 4.07Å; R582-E585 PolarHBondContact N-OE2 3.5Å
583	A	88.8	Confident	87.8	Confident	9 Å²	9	67.9 Å²	67.9	7%	0.074	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	15.6	174.8	0	0	0	0	0	112	P555 H557 C562 A563 G581 E585	P555-A583 HydrophobicContact CB-CB 3.72Å; H557-A583 HydrophobicContact CB-CB 4.28Å; C562-A583 CarbonylContact C-O 2.98Å; C562-A583 WeakPolarHBondContact CA-O 3.27Å; C562-A583 VanDerWaalsContact O-O 3.11Å; A563-A583 WeakPolarHBondContact CB-O 3.47Å; A563-A583 PolarHBondContact N-O 3.26Å; A563-A583 VanDerWaalsContact N-O 3.12Å; G581-A583 PolarHBondContact O-N 2.82Å; A583-E585 WeakPolarHBondContact CA-OE2 3Å; A583-E585 WeakPolarHBondContact CB-OE2 3.37Å; A583-E585 PolarHBondContact N-OE2 2.84Å; A583-E585 PolarHBondContact O-N 3.34Å
584	C	91.6	Very high	87.4	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	57.5	34.5	-174.7	-47.1	0	0	0	0	113.8	H565 C575 W579 V580 G581	H565-C584 HydrophobicContact CB-CB 4.11Å; C575-C584 WeakPolarHBondContact CA-SG 3.25Å; C575-C584 HydrophobicContact CB-CB 3.64Å; C575-C584 WeakPolarHBondContact CB-SG 3.45Å; C575-C584 PolarHBondContact N-SG 2.61Å; C575-C584 WeakPolarHBondContact SG-CA 3.2Å; C575-C584 WeakPolarHBondContact SG-CB 3.04Å; C575-C584 CovalentContact SG-SG 2.03Å; C575-C584 PolarHBondContact SG-SG 2.91Å; W579-C584 HydrophobicContact CB-CB 4.34Å; V580-C584 CarbonylContact O-C 3.54Å; V580-C584 WeakPolarHBondContact O-CA 3.33Å; G581-C584 PolarHBondContact O-N 2.02Å
585	E	88.3	Confident	86.8	Confident	62 Å²	62	64.3 Å²	64.3	29%	0.29	36%	0.364	S	S	.	.			trans	-83.1	-18.1	-173.3	67.8	-81.9	-162.1	0	0	114	H557 V580 R582 A583	H557-E585 HydrophobicContact CB-CB 4.28Å; V580-E585 PolarHBondContact O-N 3.17Å; R582-E585 PolarHBondContact N-OE2 3.5Å; A583-E585 WeakPolarHBondContact CA-OE2 3Å; A583-E585 WeakPolarHBondContact CB-OE2 3.37Å; A583-E585 PolarHBondContact N-OE2 2.84Å; A583-E585 PolarHBondContact O-N 3.34Å
586	C	87.3	Confident	86.1	Confident	19 Å²	19	68.9 Å²	68.9	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.6	-172.5	-62	0	0	0	0	112.1	W579 V580 C609	W579-C586 CarbonylContact C-O 3.54Å; W579-C586 VanDerWaalsContact CA-O 3.27Å; W579-C586 WeakPolarHBondContact CA-O 3.42Å; V580-C586 HydrophobicContact CG2-CB 3.82Å; V580-C586 PolarHBondContact N-O 2.88Å; V580-C586 WeakPolarHBondContact O-CB 3.06Å; V580-C586 PolarHBondContact O-N 2.72Å; C586-C609 WeakPolarHBondContact CA-SG 3.17Å; C586-C609 HydrophobicContact CB-CB 3.82Å; C586-C609 WeakPolarHBondContact CB-SG 2.98Å; C586-C609 WeakPolarHBondContact SG-CB 3.5Å; C586-C609 CovalentContact SG-SG 2.03Å; C586-C609 PolarHBondContact SG-SG 2.02Å
587	P	86.5	Confident	85.4	Confident	44 Å²	44	69.2 Å²	69.2	29%	0.286	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	147.7	168	31.1	-33.9	0	0	0	110.6	G578 W579	G578-P587 CarbonylContact O-C 3.5Å; G578-P587 WeakPolarHBondContact O-CA 2.67Å; W579-P587 HydrophobicContact CH2-CB 4.47Å; W579-P587 HydrophobicContact CZ3-CB 4.24Å
588	V	84.6	Confident	84.9	Confident	88 Å²	88	65.8 Å²	65.8	53%	0.533	39%	0.388	S	S	.	.	S	Bend	trans	-77.9	-26.9	171.4	175.4	0	0	0	0	111.3	G578 V580	G578-V588 WeakPolarHBondContact O-CG2 3.4Å; G578-V588 PolarHBondContact O-N 3.48Å; V580-V588 HydrophobicContact CG1-CG2 3.81Å; V580-V588 HydrophobicContact CG2-CG2 4.41Å
589	S	82.9	Confident	84.8	Confident	56 Å²	56	69.8 Å²	69.8	39%	0.392	39%	0.394	S	S	.	.			trans	-65.9	139.4	175.3	171.4	0	0	0	0	111.5	D591	S589-D591 PolarHBondContact OG-N 2.75Å; S589-D591 PolarHBondContact OG-OD2 2.76Å
590	Q	83.3	Confident	84.6	Confident	97 Å²	97	69.2 Å²	69.2	45%	0.453	40%	0.396	S	S	.	.			trans	-101.2	6.9	177	-62.7	-175.1	-45.6	0	0	113.1	S592 C593 C607	Q590-S592 PolarHBondContact O-N 2.97Å; Q590-C593 WeakPolarHBondContact O-CB 3.44Å; Q590-C593 PolarHBondContact O-N 3.37Å; Q590-C607 HydrophobicContact CG-CB 4.49Å
591	D	82.5	Confident	84.5	Confident	120 Å²	120	65.6 Å²	65.6	64%	0.642	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-57.8	-36	-171.8	-64.1	-32.6	0	0	0	112.6	S589 C593 I594	S589-D591 PolarHBondContact OG-N 2.75Å; S589-D591 PolarHBondContact OG-OD2 2.76Å; D591-C593 PolarHBondContact O-N 3.47Å; D591-C593 VanDerWaalsContact O-N 3.14Å; D591-I594 PolarHBondContact O-N 3.33Å
592	S	81.5	Confident	84.2	Confident	76 Å²	76	65.2 Å²	65.2	53%	0.531	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-65.9	-13.9	179.5	58.3	0	0	0	0	114.2	Q590 G610	Q590-S592 PolarHBondContact O-N 2.97Å; S592-G610 VanDerWaalsContact OG-CA 3.31Å; S592-G610 WeakPolarHBondContact OG-CA 3.1Å; S592-G610 PolarHBondContact OG-O 2.96Å
593	C	86.2	Confident	83.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-101.3	0.6	-178.8	-66.9	0	0	0	0	113.3	Q590 D591 A595 I600 C601 C607 C612	Q590-C593 WeakPolarHBondContact O-CB 3.44Å; Q590-C593 PolarHBondContact O-N 3.37Å; D591-C593 PolarHBondContact O-N 3.47Å; D591-C593 VanDerWaalsContact O-N 3.14Å; C593-A595 PolarHBondContact O-N 3.48Å; C593-I600 HydrophobicContact CB-CG2 4.14Å; C593-I600 WeakPolarHBondContact O-CA 3.5Å; C593-C601 PolarHBondContact O-N 2.81Å; C593-C607 HydrophobicContact CB-CB 3.45Å; C593-C607 VanDerWaalsContact CB-CB 3.45Å; C593-C607 WeakPolarHBondContact CB-SG 3.45Å; C593-C607 WeakPolarHBondContact SG-CB 3.44Å; C593-C607 CovalentContact SG-SG 2.03Å; C593-C607 PolarHBondContact SG-SG 3.1Å; C593-C612 VanDerWaalsContact CB-SG 3.54Å
594	I	82.8	Confident	83.6	Confident	84 Å²	84	62.1 Å²	62.1	43%	0.431	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-78.5	119.4	-179.2	-58.4	176.4	0	0	0	109.3	D591	D591-I594 PolarHBondContact O-N 3.33Å
595	A	79.2	Confident	83.4	Confident	6 Å²	6	62.6 Å²	62.6	5%	0.05	37%	0.37	C	S	.	.			trans	-77.4	167.4	175.6	0	0	0	0	0	112.2	C593 N597 G598 K599 N602 T627	C593-A595 PolarHBondContact O-N 3.48Å; A595-N597 WeakPolarHBondContact CB-OD1 3.21Å; A595-N597 PolarHBondContact O-N 3.36Å; A595-N597 VanDerWaalsContact O-N 3.1Å; A595-G598 PolarHBondContact O-N 3.41Å; A595-K599 WeakPolarHBondContact CB-O 3.16Å; A595-K599 PolarHBondContact N-O 2.81Å; A595-N602 HydrophobicContact CB-CB 4.28Å; A595-N602 VanDerWaalsContact CB-CG 3.49Å; A595-N602 WeakPolarHBondContact CB-OD1 3.17Å; A595-T627 HydrophobicContact CB-CG2 4.18Å
596	S	76.6	Confident	83.4	Confident	134 Å²	134	62.9 Å²	62.9	94%	0.937	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.1	177	53.3	0	0	0	0	114	G598	S596-G598 PolarHBondContact O-N 3.39Å
597	N	76.5	Confident	83.4	Confident	79 Å²	79	62.7 Å²	62.7	42%	0.422	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	6.1	173.8	67.6	8.8	0	0	0	114.2	A595 K599 N602	A595-N597 WeakPolarHBondContact CB-OD1 3.21Å; A595-N597 PolarHBondContact O-N 3.36Å; A595-N597 VanDerWaalsContact O-N 3.1Å; N597-K599 VanDerWaalsContact C-N 3.25Å; N597-K599 PolarHBondContact O-N 3.16Å; N597-K599 WeakPolarHBondContact OD1-CB 3.3Å; N597-K599 PolarHBondContact OD1-N 3.29Å; N597-N602 PolarHBondContact ND2-OD1 2.94Å
598	G	79.7	Confident	83.3	Confident	58 Å²	58	65 Å²	65	60%	0.598	38%	0.382	S	S	*	.	S	Bend	trans	76.5	1.9	-179.3	0	0	0	0	0	115	A595 S596	A595-G598 PolarHBondContact O-N 3.41Å; S596-G598 PolarHBondContact O-N 3.39Å
599	K	85.1	Confident	83.4	Confident	125 Å²	125	63.8 Å²	63.8	54%	0.543	38%	0.376	S	S	.	.	S	Bend	trans	-95.5	145.9	178.2	-59.8	-177.4	-179.7	179.5	0	111.1	A595 N597 C601 N602	A595-K599 WeakPolarHBondContact CB-O 3.16Å; A595-K599 PolarHBondContact N-O 2.81Å; N597-K599 VanDerWaalsContact C-N 3.25Å; N597-K599 PolarHBondContact O-N 3.16Å; N597-K599 WeakPolarHBondContact OD1-CB 3.3Å; N597-K599 PolarHBondContact OD1-N 3.29Å; K599-C601 PolarHBondContact O-N 3.28Å; K599-N602 PolarHBondContact O-N 2.98Å
600	I	84.8	Confident	83.3	Confident	69 Å²	69	61.8 Å²	61.8	35%	0.354	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-62.9	120.5	169.1	-62.7	171.4	0	0	0	108.1	C593 N602 G603 C607	C593-I600 HydrophobicContact CB-CG2 4.14Å; C593-I600 WeakPolarHBondContact O-CA 3.5Å; I600-N602 VanDerWaalsContact C-N 3.31Å; I600-N602 PolarHBondContact O-N 2.96Å; I600-G603 PolarHBondContact O-N 2.8Å; I600-C607 HydrophobicContact CG2-CB 3.76Å
601	C	87.3	Confident	83.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	53.2	42.9	178.2	-51.1	0	0	0	0	113.7	C593 K599 G603 R604 G605 C612 T627	C593-C601 PolarHBondContact O-N 2.81Å; K599-C601 PolarHBondContact O-N 3.28Å; C601-G603 PolarHBondContact O-N 3.35Å; C601-R604 CarbonylContact O-C 3.59Å; C601-R604 PolarHBondContact O-N 3.04Å; C601-G605 PolarHBondContact O-N 3.13Å; C601-C612 WeakPolarHBondContact CA-SG 3.11Å; C601-C612 HydrophobicContact CB-CB 3.68Å; C601-C612 WeakPolarHBondContact CB-SG 2.9Å; C601-C612 WeakPolarHBondContact SG-CA 2.97Å; C601-C612 WeakPolarHBondContact SG-CB 3.38Å; C601-C612 CovalentContact SG-SG 2.03Å; C601-C612 PolarHBondContact SG-SG 2.94Å; C601-T627 CarbonylContact C-O 3.55Å; C601-T627 WeakPolarHBondContact CA-O 3.39Å
602	N	83	Confident	83.5	Confident	29 Å²	29	56.8 Å²	56.8	16%	0.155	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	56.2	14.7	-174.7	-85	-59.2	0	0	0	114.8	A595 N597 K599 I600 R604 T627	A595-N602 HydrophobicContact CB-CB 4.28Å; A595-N602 VanDerWaalsContact CB-CG 3.49Å; A595-N602 WeakPolarHBondContact CB-OD1 3.17Å; N597-N602 PolarHBondContact ND2-OD1 2.94Å; K599-N602 PolarHBondContact O-N 2.98Å; I600-N602 VanDerWaalsContact C-N 3.31Å; I600-N602 PolarHBondContact O-N 2.96Å; N602-R604 PolarHBondContact O-N 3.3Å; N602-T627 WeakPolarHBondContact CB-O 3.01Å; N602-T627 PolarHBondContact N-O 2.69Å; N602-T627 PolarHBondContact ND2-O 3.37Å; N602-T627 PolarHBondContact ND2-OG1 2.92Å
603	G	82.7	Confident	83.8	Confident	50 Å²	50	58.6 Å²	58.6	52%	0.515	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	70.6	11.4	-169.3	0	0	0	0	0	113.9	I600 C601	I600-G603 PolarHBondContact O-N 2.8Å; C601-G603 PolarHBondContact O-N 3.35Å
604	R	83.9	Confident	83.8	Confident	107 Å²	107	60.4 Å²	60.4	40%	0.404	36%	0.356	S	S	.	.	S	Bend	trans	-119.5	27.5	-177.3	-65.2	178.9	172.3	167.8	-3.6	111.3	C601 N602 C614 F615 Y623 C628	C601-R604 CarbonylContact O-C 3.59Å; C601-R604 PolarHBondContact O-N 3.04Å; N602-R604 PolarHBondContact O-N 3.3Å; R604-C614 CarbonylContact O-C 3.57Å; R604-C614 WeakPolarHBondContact O-CA 3.4Å; R604-F615 VanDerWaalsContact C-CD2 3.47Å; R604-F615 PolarHBondContact O-N 3.31Å; R604-Y623 HydrophobicContact CB-CD2 4.3Å; R604-Y623 HydrophobicContact CG-CD2 4.44Å; R604-Y623 HydrophobicContact CG-CE2 4.48Å; R604-Y623 VanDerWaalsContact CZ-CE1 3.43Å; R604-Y623 VanDerWaalsContact CZ-CZ 3.48Å; R604-C628 HydrophobicContact CB-CB 4.26Å
605	G	85.8	Confident	83.7	Confident	10 Å²	10	61.6 Å²	61.6	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	175.8	178.7	0	0	0	0	0	113.9	C601 K613	C601-G605 PolarHBondContact O-N 3.13Å; G605-K613 CarbonylContact C-O 3.59Å; G605-K613 WeakPolarHBondContact CA-O 3.4Å
606	V	88.8	Confident	83.4	Confident	68 Å²	68	64.9 Å²	64.9	41%	0.412	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.7	173.6	168.9	0	0	0	0	109.4	E608 K613 F615	V606-E608 HydrophobicContact CG1-CG 4.04Å; V606-E608 PolarHBondContact O-N 3.37Å; V606-K613 PolarHBondContact N-O 2.95Å; V606-K613 PolarHBondContact O-N 3.15Å; V606-F615 HydrophobicContact CB-CZ 4.47Å; V606-F615 HydrophobicContact CG2-CE1 3.78Å; V606-F615 HydrophobicContact CG2-CE2 4.41Å; V606-F615 HydrophobicContact CG2-CZ 3.42Å; V606-F615 VanDerWaalsContact CG2-CZ 3.42Å
607	C	87.3	Confident	83	Confident	15 Å²	15	61 Å²	61	10%	0.101	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110.8	171.7	-172.2	0	0	0	0	109.9	Q590 C593 I600	Q590-C607 HydrophobicContact CG-CB 4.49Å; C593-C607 HydrophobicContact CB-CB 3.45Å; C593-C607 VanDerWaalsContact CB-CB 3.45Å; C593-C607 WeakPolarHBondContact CB-SG 3.45Å; C593-C607 WeakPolarHBondContact SG-CB 3.44Å; C593-C607 CovalentContact SG-SG 2.03Å; C593-C607 PolarHBondContact SG-SG 3.1Å; I600-C607 HydrophobicContact CG2-CB 3.76Å
608	E	85.4	Confident	82.7	Confident	93 Å²	93	63.7 Å²	63.7	44%	0.435	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.1	172.4	-71.9	-170.5	-151.9	0	0	109.7	V606 G610 V611 K613	V606-E608 HydrophobicContact CG1-CG 4.04Å; V606-E608 PolarHBondContact O-N 3.37Å; E608-G610 PolarHBondContact O-N 3.24Å; E608-V611 PolarHBondContact N-O 2.76Å; E608-V611 PolarHBondContact O-N 2.9Å; E608-V611 VanDerWaalsContact O-O 3.08Å; E608-K613 HydrophobicContact CG-CD 4.26Å; E608-K613 WeakPolarHBondContact OE1-CD 2.98Å; E608-K613 WeakPolarHBondContact OE1-CE 3.42Å; E608-K613 IonicContact OE1-NZ 2.64Å; E608-K613 PolarHBondContact OE1-NZ 3.38Å; E608-K613 WeakPolarHBondContact OE2-CE 3.43Å; E608-K613 IonicContact OE2-NZ 3.06Å; E608-K613 PolarHBondContact OE2-NZ 2.87Å
609	C	85.5	Confident	81.9	Confident	62 Å²	62	68.5 Å²	68.5	42%	0.419	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34.8	176.9	-158.7	0	0	0	0	113.7	C586 V611	C586-C609 WeakPolarHBondContact CA-SG 3.17Å; C586-C609 HydrophobicContact CB-CB 3.82Å; C586-C609 WeakPolarHBondContact CB-SG 2.98Å; C586-C609 WeakPolarHBondContact SG-CB 3.5Å; C586-C609 CovalentContact SG-SG 2.03Å; C586-C609 PolarHBondContact SG-SG 2.02Å; C609-V611 VanDerWaalsContact C-N 3.31Å; C609-V611 PolarHBondContact O-N 2.9Å
610	G	81	Confident	81.1	Confident	15 Å²	15	64.8 Å²	64.8	16%	0.155	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	7.8	-176.9	0	0	0	0	0	115.4	S592 E608	S592-G610 VanDerWaalsContact OG-CA 3.31Å; S592-G610 WeakPolarHBondContact OG-CA 3.1Å; S592-G610 PolarHBondContact OG-O 2.96Å; E608-G610 PolarHBondContact O-N 3.24Å
611	V	85	Confident	80.3	Confident	99 Å²	99	63.2 Å²	63.2	60%	0.6	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.7	179.8	-176.2	0	0	0	0	110.6	E608 C609 K613	E608-V611 PolarHBondContact N-O 2.76Å; E608-V611 PolarHBondContact O-N 2.9Å; E608-V611 VanDerWaalsContact O-O 3.08Å; C609-V611 VanDerWaalsContact C-N 3.31Å; C609-V611 PolarHBondContact O-N 2.9Å; V611-K613 PolarHBondContact O-N 3.08Å
612	C	86.4	Confident	79.6	Confident	13 Å²	13	71.7 Å²	71.7	9%	0.088	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.3	176.5	-77.6	0	0	0	0	112.8	C593 C601 P626	C593-C612 VanDerWaalsContact CB-SG 3.54Å; C601-C612 WeakPolarHBondContact CA-SG 3.11Å; C601-C612 HydrophobicContact CB-CB 3.68Å; C601-C612 WeakPolarHBondContact CB-SG 2.9Å; C601-C612 WeakPolarHBondContact SG-CA 2.97Å; C601-C612 WeakPolarHBondContact SG-CB 3.38Å; C601-C612 CovalentContact SG-SG 2.03Å; C601-C612 PolarHBondContact SG-SG 2.94Å; C612-P626 WeakPolarHBondContact CB-O 2.98Å
613	K	87	Confident	79.2	Confident	114 Å²	114	71.6 Å²	71.6	50%	0.496	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.5	162.6	-74.8	-165.6	-177.3	169.4	0	109.9	G605 V606 E608 V611	G605-K613 CarbonylContact C-O 3.59Å; G605-K613 WeakPolarHBondContact CA-O 3.4Å; V606-K613 PolarHBondContact N-O 2.95Å; V606-K613 PolarHBondContact O-N 3.15Å; E608-K613 HydrophobicContact CG-CD 4.26Å; E608-K613 WeakPolarHBondContact OE1-CD 2.98Å; E608-K613 WeakPolarHBondContact OE1-CE 3.42Å; E608-K613 IonicContact OE1-NZ 2.64Å; E608-K613 PolarHBondContact OE1-NZ 3.38Å; E608-K613 WeakPolarHBondContact OE2-CE 3.43Å; E608-K613 IonicContact OE2-NZ 3.06Å; E608-K613 PolarHBondContact OE2-NZ 2.87Å; V611-K613 PolarHBondContact O-N 3.08Å
614	C	85.2	Confident	79	Confident	38 Å²	38	71.5 Å²	71.5	26%	0.257	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.4	-177.3	-50.9	0	0	0	0	112.2	R604 Y623 C628	R604-C614 CarbonylContact O-C 3.57Å; R604-C614 WeakPolarHBondContact O-CA 3.4Å; C614-Y623 WeakPolarHBondContact CB-O 3.28Å; C614-C628 WeakPolarHBondContact CA-SG 3Å; C614-C628 HydrophobicContact CB-CB 3.69Å; C614-C628 WeakPolarHBondContact CB-SG 3.34Å; C614-C628 WeakPolarHBondContact SG-CA 3.01Å; C614-C628 WeakPolarHBondContact SG-CB 3.4Å; C614-C628 CovalentContact SG-SG 2.02Å; C614-C628 PolarHBondContact SG-SG 2.95Å
615	F	80.8	Confident	78.7	Confident	109 Å²	109	67.8 Å²	67.8	48%	0.478	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-72.5	155.9	172.4	-61.2	-41	0	0	0	111	R604 V606	R604-F615 VanDerWaalsContact C-CD2 3.47Å; R604-F615 PolarHBondContact O-N 3.31Å; V606-F615 HydrophobicContact CB-CZ 4.47Å; V606-F615 HydrophobicContact CG2-CE1 3.78Å; V606-F615 HydrophobicContact CG2-CE2 4.41Å; V606-F615 HydrophobicContact CG2-CZ 3.42Å; V606-F615 VanDerWaalsContact CG2-CZ 3.42Å
616	T	73.5	Confident	78.5	Confident	75 Å²	75	72.2 Å²	72.2	46%	0.46	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-93.9	128.6	164.2	-52.2	0	0	0	0	107.4	G620 I621 R622	T616-G620 VanDerWaalsContact CG2-C 3.44Å; T616-G620 WeakPolarHBondContact CG2-O 3.46Å; T616-I621 CarbonylContact C-O 3.57Å; T616-I621 WeakPolarHBondContact CA-O 3.47Å; T616-R622 HydrophobicContact CG2-CG 3.91Å
617	D	68.9	Low	78.2	Confident	53 Å²	53	70.4 Å²	70.4	28%	0.283	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58	150.7	176	-141.7	-44.4	0	0	0	110.4	E619 G620 I621 Y623	D617-E619 PolarHBondContact O-N 2.85Å; D617-G620 WeakPolarHBondContact O-CA 3.2Å; D617-G620 PolarHBondContact O-N 2.79Å; D617-I621 HydrophobicContact CB-CB 3.9Å; D617-I621 PolarHBondContact N-O 2.97Å; D617-Y623 HydrophobicContact CB-CE2 4Å; D617-Y623 PolarHBondContact OD2-OH 3.29Å
618	P	68.8	Low	78	Confident	135 Å²	135	69.7 Å²	69.7	88%	0.877	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-26.9	166	7.9	-27.4	0	0	0	115.5	G620	P618-G620 PolarHBondContact O-N 3.1Å
619	E	64.1	Low	77.4	Confident	159 Å²	159	69.4 Å²	69.4	74%	0.743	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	3.3	173.6	-64.7	-179.8	176.2	0	0	113.9	D617 I621	D617-E619 PolarHBondContact O-N 2.85Å; E619-I621 VanDerWaalsContact C-N 3.34Å; E619-I621 HydrophobicContact CB-CD1 4.27Å; E619-I621 HydrophobicContact CB-CG1 4.27Å
620	G	68.6	Low	76.7	Confident	48 Å²	48	70.6 Å²	70.6	50%	0.495	39%	0.392	S	S	.	.			trans	83.5	5	-179.5	0	0	0	0	0	114.8	T616 D617 P618 R622	T616-G620 VanDerWaalsContact CG2-C 3.44Å; T616-G620 WeakPolarHBondContact CG2-O 3.46Å; D617-G620 WeakPolarHBondContact O-CA 3.2Å; D617-G620 PolarHBondContact O-N 2.79Å; P618-G620 PolarHBondContact O-N 3.1Å; G620-R622 PolarHBondContact O-N 3.22Å
621	I	66.5	Low	76.2	Confident	36 Å²	36	71.5 Å²	71.5	19%	0.185	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-75.2	121.3	-177.4	-61.9	176.2	0	0	0	110.1	T616 D617 E619 Y623 C631 T633	T616-I621 CarbonylContact C-O 3.57Å; T616-I621 WeakPolarHBondContact CA-O 3.47Å; D617-I621 HydrophobicContact CB-CB 3.9Å; D617-I621 PolarHBondContact N-O 2.97Å; E619-I621 VanDerWaalsContact C-N 3.34Å; E619-I621 HydrophobicContact CB-CD1 4.27Å; E619-I621 HydrophobicContact CB-CG1 4.27Å; I621-Y623 HydrophobicContact CG2-CE1 4.07Å; I621-Y623 HydrophobicContact CG2-CE2 4.11Å; I621-C631 WeakPolarHBondContact CG2-SG 2.94Å; I621-T633 WeakPolarHBondContact CG2-OG1 3.35Å
622	R	72.6	Confident	75.1	Confident	177 Å²	177	71 Å²	71	67%	0.668	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-92.9	121.7	178.4	-74	-174.8	173.4	-178.8	0.3	110.8	T616 G620 P632	T616-R622 HydrophobicContact CG2-CG 3.91Å; G620-R622 PolarHBondContact O-N 3.22Å; R622-P632 WeakPolarHBondContact O-CD 3.38Å
623	Y	75.5	Confident	73.5	Confident	28 Å²	28	74.4 Å²	74.4	11%	0.11	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-91.1	147.7	171.6	-59	-80.1	0	0	0	111.1	R604 C614 D617 I621 I630 C631	R604-Y623 HydrophobicContact CB-CD2 4.3Å; R604-Y623 HydrophobicContact CG-CD2 4.44Å; R604-Y623 HydrophobicContact CG-CE2 4.48Å; R604-Y623 VanDerWaalsContact CZ-CE1 3.43Å; R604-Y623 VanDerWaalsContact CZ-CZ 3.48Å; C614-Y623 WeakPolarHBondContact CB-O 3.28Å; D617-Y623 HydrophobicContact CB-CE2 4Å; D617-Y623 PolarHBondContact OD2-OH 3.29Å; I621-Y623 HydrophobicContact CG2-CE1 4.07Å; I621-Y623 HydrophobicContact CG2-CE2 4.11Å; Y623-I630 CarbonylContact C-O 3.21Å; Y623-I630 VanDerWaalsContact CA-O 3.23Å; Y623-I630 WeakPolarHBondContact CA-O 2.99Å; Y623-C631 HydrophobicContact CD1-CB 4.16Å; Y623-C631 HydrophobicContact CE1-CB 4.14Å
624	S	78.7	Confident	72.4	Confident	48 Å²	48	72.5 Å²	72.5	34%	0.336	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-143.8	174.3	177.2	61.2	0	0	0	0	111.6	C628 E629 I630	S624-C628 CarbonylContact O-C 3.55Å; S624-C628 WeakPolarHBondContact O-CA 3.34Å; S624-E629 PolarHBondContact O-N 2.95Å; S624-I630 PolarHBondContact N-O 2.92Å; S624-I630 WeakPolarHBondContact O-CA 3.44Å; S624-I630 VanDerWaalsContact O-CB 3.3Å; S624-I630 WeakPolarHBondContact O-CB 3.33Å; S624-I630 PolarHBondContact O-N 2.82Å; S624-I630 WeakPolarHBondContact OG-CB 3.27Å
625	G	77.5	Confident	71	Confident	29 Å²	29	77.2 Å²	77.2	30%	0.299	45%	0.445	S	S	.	.	S	Bend	trans	108.7	167	-175.9	0	0	0	0	0	113.5	T627 C628 E629	G625-T627 PolarHBondContact O-N 2.88Å; G625-T627 VanDerWaalsContact O-N 3.08Å; G625-C628 PolarHBondContact O-N 2.68Å; G625-E629 WeakPolarHBondContact CA-OE1 3.34Å
626	P	81	Confident	70.2	Confident	103 Å²	103	75.4 Å²	75.4	67%	0.669	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	-176.4	-22.9	35.5	0	0	0	112.9	C612 E629	C612-P626 WeakPolarHBondContact CB-O 2.98Å; P626-E629 WeakPolarHBondContact CD-OE1 3.37Å
627	T	82.8	Confident	70.5	Confident	29 Å²	29	75.5 Å²	75.5	18%	0.178	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	15.4	179.9	64.4	0	0	0	0	113.6	A595 C601 N602 G625 E629	A595-T627 HydrophobicContact CB-CG2 4.18Å; C601-T627 CarbonylContact C-O 3.55Å; C601-T627 WeakPolarHBondContact CA-O 3.39Å; N602-T627 WeakPolarHBondContact CB-O 3.01Å; N602-T627 PolarHBondContact N-O 2.69Å; N602-T627 PolarHBondContact ND2-O 3.37Å; N602-T627 PolarHBondContact ND2-OG1 2.92Å; G625-T627 PolarHBondContact O-N 2.88Å; G625-T627 VanDerWaalsContact O-N 3.08Å; T627-E629 WeakPolarHBondContact CA-OE2 3.35Å; T627-E629 PolarHBondContact N-OE2 3.36Å; T627-E629 PolarHBondContact OG1-OE2 3.01Å
628	C	83.5	Confident	71.2	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	43%	0.428	C	S	.	.	S	Bend	trans	68.8	38.3	-177.7	-49.3	0	0	0	0	115.9	R604 C614 S624 G625	R604-C628 HydrophobicContact CB-CB 4.26Å; C614-C628 WeakPolarHBondContact CA-SG 3Å; C614-C628 HydrophobicContact CB-CB 3.69Å; C614-C628 WeakPolarHBondContact CB-SG 3.34Å; C614-C628 WeakPolarHBondContact SG-CA 3.01Å; C614-C628 WeakPolarHBondContact SG-CB 3.4Å; C614-C628 CovalentContact SG-SG 2.02Å; C614-C628 PolarHBondContact SG-SG 2.95Å; S624-C628 CarbonylContact O-C 3.55Å; S624-C628 WeakPolarHBondContact O-CA 3.34Å; G625-C628 PolarHBondContact O-N 2.68Å
629	E	73.4	Confident	72	Confident	88 Å²	88	72.2 Å²	72.2	41%	0.411	42%	0.417	S	S	.	.			trans	-89.7	-22.1	-178.5	69.2	-72.6	166.6	0	0	115.8	S624 G625 P626 T627	S624-E629 PolarHBondContact O-N 2.95Å; G625-E629 WeakPolarHBondContact CA-OE1 3.34Å; P626-E629 WeakPolarHBondContact CD-OE1 3.37Å; T627-E629 WeakPolarHBondContact CA-OE2 3.35Å; T627-E629 PolarHBondContact N-OE2 3.36Å; T627-E629 PolarHBondContact OG1-OE2 3.01Å
630	I	69.9	Low	72.8	Confident	87 Å²	87	70.1 Å²	70.1	45%	0.446	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-89.8	131.5	-172.4	-54.5	172.4	0	0	0	110.3	Y623 S624	Y623-I630 CarbonylContact C-O 3.21Å; Y623-I630 VanDerWaalsContact CA-O 3.23Å; Y623-I630 WeakPolarHBondContact CA-O 2.99Å; S624-I630 PolarHBondContact N-O 2.92Å; S624-I630 WeakPolarHBondContact O-CA 3.44Å; S624-I630 VanDerWaalsContact O-CB 3.3Å; S624-I630 WeakPolarHBondContact O-CB 3.33Å; S624-I630 PolarHBondContact O-N 2.82Å; S624-I630 WeakPolarHBondContact OG-CB 3.27Å
631	C	71.4	Confident	73.8	Confident	34 Å²	34	68.3 Å²	68.3	23%	0.23	39%	0.385	C	S	.	.			trans	-124.5	104.3	177.2	179.7	0	0	0	0	111.1	I621 Y623 T633 C634	I621-C631 WeakPolarHBondContact CG2-SG 2.94Å; Y623-C631 HydrophobicContact CD1-CB 4.16Å; Y623-C631 HydrophobicContact CE1-CB 4.14Å; C631-T633 VanDerWaalsContact C-N 3.34Å; C631-T633 PolarHBondContact O-N 3.32Å; C631-C634 PolarHBondContact SG-SG 2.85Å
632	P	60.3	Low	74.9	Confident	88 Å²	88	69.1 Å²	69.1	57%	0.571	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.2	-178.8	-17.7	32	0	0	0	114.7	R622	R622-P632 WeakPolarHBondContact O-CD 3.38Å
633	T	54.7	Low	75.6	Confident	85 Å²	85	61.7 Å²	61.7	52%	0.521	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.3	-174.9	46.8	0	0	0	0	114.1	I621 C631	I621-T633 WeakPolarHBondContact CG2-OG1 3.35Å; C631-T633 VanDerWaalsContact C-N 3.34Å; C631-T633 PolarHBondContact O-N 3.32Å
634	C	63.4	Low	76.3	Confident	74 Å²	74	60.6 Å²	60.6	50%	0.5	36%	0.358	S	S	.	.	S	Bend	trans	-57.4	138.4	165.2	-73.3	0	0	0	0	109	C631 T636	C631-C634 PolarHBondContact SG-SG 2.85Å; C634-T636 PolarHBondContact O-N 3.3Å; C634-T636 VanDerWaalsContact O-N 3.14Å
635	P	55.2	Low	76.9	Confident	137 Å²	137	58.3 Å²	58.3	89%	0.89	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-53.6	121.8	-178.1	-23.4	32	0	0	0	111.3
636	T	65	Low	77.4	Confident	71 Å²	71	57.3 Å²	57.3	44%	0.436	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-100.7	150.5	173.7	61	0	0	0	0	110	C634 C638 V681	C634-T636 PolarHBondContact O-N 3.3Å; C634-T636 VanDerWaalsContact O-N 3.14Å; T636-C638 PolarHBondContact O-N 3.47Å; T636-V681 HydrophobicContact CG2-CG1 4Å
637	K	78.8	Confident	77.8	Confident	77 Å²	77	53 Å²	53	34%	0.335	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	9.1	177.1	-66.5	-168.6	174.8	-177.2	0	113.3	V639 E640 Y641 Y698	K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 2.86Å; K637-E640 WeakPolarHBondContact O-CB 3.42Å; K637-E640 PolarHBondContact O-N 2.86Å; K637-E640 VanDerWaalsContact O-N 3.17Å; K637-Y641 HydrophobicContact CB-CD2 4.02Å; K637-Y641 HydrophobicContact CB-CE1 4.24Å; K637-Y641 HydrophobicContact CB-CE2 3.68Å; K637-Y641 HydrophobicContact CB-CG 4.45Å; K637-Y641 HydrophobicContact CD-CE1 4.14Å; K637-Y641 HydrophobicContact CD-CE2 4.16Å; K637-Y641 VanDerWaalsContact CD-OH 3.23Å; K637-Y641 WeakPolarHBondContact CD-OH 3.04Å; K637-Y641 PolarHBondContact O-N 2.03Å; K637-Y698 HydrophobicContact CB-CE1 4.41Å; K637-Y698 HydrophobicContact CB-CE2 4.42Å; K637-Y698 PolarHBondContact N-OH 2.98Å
638	C	84.3	Confident	78.1	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.081	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-43.2	-178.7	-75.5	0	0	0	0	113.3	T636 K642 C683 F685	T636-C638 PolarHBondContact O-N 3.47Å; C638-K642 PolarHBondContact O-N 2.8Å; C638-K642 VanDerWaalsContact O-N 3.09Å; C638-C683 WeakPolarHBondContact CA-SG 3.49Å; C638-C683 HydrophobicContact CB-CB 3.75Å; C638-C683 WeakPolarHBondContact CB-SG 3.2Å; C638-C683 WeakPolarHBondContact SG-CB 3.43Å; C638-C683 CovalentContact SG-SG 2.03Å; C638-C683 PolarHBondContact SG-SG 2.99Å; C638-F685 HydrophobicContact CB-CE2 4.22Å; C638-F685 HydrophobicContact CB-CZ 4.18Å; C638-F685 WeakPolarHBondContact O-CE2 3.47Å
639	V	83.9	Confident	78.4	Confident	107 Å²	107	56.7 Å²	56.7	65%	0.648	32%	0.318	S	S	*	.	H	α-helix	trans	-70.3	-35.7	-179.2	179.8	0	0	0	0	111.2	K637 F685	K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 2.86Å; V639-F685 HydrophobicContact CG2-CZ 4.28Å
640	E	82.3	Confident	79.1	Confident	115 Å²	115	54.3 Å²	54.3	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-39.9	177.8	-171.7	-175.7	162.8	0	0	111.7	K637 P643	K637-E640 WeakPolarHBondContact O-CB 3.42Å; K637-E640 PolarHBondContact O-N 2.86Å; K637-E640 VanDerWaalsContact O-N 3.17Å; E640-P643 WeakPolarHBondContact O-CD 3.44Å
641	Y	89.4	Confident	79.9	Confident	10 Å²	10	58.8 Å²	58.8	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-84.5	-18.2	-177.5	-64.5	-13.9	0	0	0	113.9	K637 C644 V645 P664 F665 Y698 V707	K637-Y641 HydrophobicContact CB-CD2 4.02Å; K637-Y641 HydrophobicContact CB-CE1 4.24Å; K637-Y641 HydrophobicContact CB-CE2 3.68Å; K637-Y641 HydrophobicContact CB-CG 4.45Å; K637-Y641 HydrophobicContact CD-CE1 4.14Å; K637-Y641 HydrophobicContact CD-CE2 4.16Å; K637-Y641 VanDerWaalsContact CD-OH 3.23Å; K637-Y641 WeakPolarHBondContact CD-OH 3.04Å; K637-Y641 PolarHBondContact O-N 2.03Å; Y641-C644 WeakPolarHBondContact O-CB 3.34Å; Y641-C644 PolarHBondContact O-N 3.01Å; Y641-C644 VanDerWaalsContact O-N 3.15Å; Y641-V645 WeakPolarHBondContact O-CG2 3.33Å; Y641-V645 PolarHBondContact O-N 2.96Å; Y641-P664 HydrophobicContact CE1-CG 4.38Å; Y641-F665 HydrophobicContact CD1-CD1 4.49Å; Y641-F665 AromaticContact CD1-CE1 3.39Å; Y641-F665 HydrophobicContact CD1-CE1 3.39Å; Y641-F665 AromaticContact CD1-CZ 3.92Å; Y641-F665 HydrophobicContact CD1-CZ 3.92Å; Y641-F665 HydrophobicContact CD2-CE1 4.04Å; Y641-F665 HydrophobicContact CD2-CZ 4.31Å; Y641-F665 HydrophobicContact CE1-CD1 4.39Å; Y641-F665 AromaticContact CE1-CE1 3.66Å; Y641-F665 HydrophobicContact CE1-CE1 3.66Å; Y641-F665 HydrophobicContact CE2-CE1 4.28Å; Y641-F665 AromaticContact CG-CE1 3.57Å; Y641-F665 HydrophobicContact CG-CE1 3.57Å; Y641-F665 AromaticContact CG-CZ 3.72Å; Y641-F665 HydrophobicContact CG-CZ 3.72Å; Y641-Y698 AromaticContact CD2-CD1 3.97Å; Y641-Y698 HydrophobicContact CD2-CD1 3.97Å; Y641-Y698 HydrophobicContact CD2-CD2 4.4Å; Y641-Y698 HydrophobicContact CD2-CE1 4.47Å; Y641-Y698 AromaticContact CD2-CG 3.93Å; Y641-Y698 HydrophobicContact CD2-CG 3.93Å; Y641-Y698 HydrophobicContact CE2-CD1 4.32Å; Y641-Y698 AromaticContact CE2-CD2 3.94Å; Y641-Y698 HydrophobicContact CE2-CD2 3.94Å; Y641-Y698 HydrophobicContact CE2-CE2 4.38Å; Y641-Y698 AromaticContact CE2-CG 3.93Å; Y641-Y698 HydrophobicContact CE2-CG 3.93Å; Y641-V707 HydrophobicContact CE2-CG2 3.69Å
642	K	88.7	Confident	80.6	Confident	53 Å²	53	58.6 Å²	58.6	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-48.4	-51.8	179.7	176.8	-166.2	177.8	-179	0	113.3	C638 C644 V645 M646 F685 F694	C638-K642 PolarHBondContact O-N 2.8Å; C638-K642 VanDerWaalsContact O-N 3.09Å; K642-C644 VanDerWaalsContact C-N 3.32Å; K642-C644 PolarHBondContact O-N 3.23Å; K642-V645 PolarHBondContact O-N 3.45Å; K642-M646 HydrophobicContact CD-SD 4.43Å; K642-M646 HydrophobicContact CG-CG 4.5Å; K642-M646 HydrophobicContact CG-SD 3.99Å; K642-M646 WeakPolarHBondContact O-CG 3.16Å; K642-M646 PolarHBondContact O-N 2.03Å; K642-F685 HydrophobicContact CB-CD2 4.01Å; K642-F685 HydrophobicContact CB-CE2 3.78Å; K642-F685 HydrophobicContact CB-CZ 4.16Å; K642-F685 HydrophobicContact CD-CB 4.3Å; K642-F685 HydrophobicContact CD-CD1 3.68Å; K642-F685 HydrophobicContact CD-CD2 4.05Å; K642-F685 HydrophobicContact CD-CE1 3.93Å; K642-F685 HydrophobicContact CD-CE2 4.27Å; K642-F685 HydrophobicContact CD-CG 3.74Å; K642-F685 HydrophobicContact CD-CZ 4.21Å; K642-F685 HydrophobicContact CG-CB 4.43Å; K642-F685 HydrophobicContact CG-CD1 4.35Å; K642-F685 HydrophobicContact CG-CD2 3.79Å; K642-F685 HydrophobicContact CG-CE2 4.06Å; K642-F685 HydrophobicContact CG-CG 3.93Å; K642-F685 HydrophobicContact CG-CZ 4.44Å; K642-F694 HydrophobicContact CG-CZ 4.08Å
643	P	88.2	Confident	81.8	Confident	21 Å²	21	56.4 Å²	56.4	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-36.3	-177.2	-21.6	35.5	0	0	0	113	E640 M646 C647 P654 Y655	E640-P643 WeakPolarHBondContact O-CD 3.44Å; P643-M646 PolarHBondContact O-N 3.28Å; P643-C647 WeakPolarHBondContact O-CB 3.34Å; P643-C647 PolarHBondContact O-N 2.75Å; P643-C647 PolarHBondContact O-SG 3.04Å; P643-P654 HydrophobicContact CB-CG 3.98Å; P643-P654 HydrophobicContact CG-CG 4.36Å; P643-Y655 HydrophobicContact CB-CD1 3.77Å; P643-Y655 HydrophobicContact CB-CD2 3.81Å; P643-Y655 HydrophobicContact CB-CE1 3.57Å; P643-Y655 HydrophobicContact CB-CE2 3.64Å; P643-Y655 HydrophobicContact CB-CG 3.88Å; P643-Y655 HydrophobicContact CG-CE1 4.17Å
644	C	90.3	Very high	83.2	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.034	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-43.6	176.1	-76.1	0	0	0	0	112	Y641 K642 C647 Q648 C663 F665	Y641-C644 WeakPolarHBondContact O-CB 3.34Å; Y641-C644 PolarHBondContact O-N 3.01Å; Y641-C644 VanDerWaalsContact O-N 3.15Å; K642-C644 VanDerWaalsContact C-N 3.32Å; K642-C644 PolarHBondContact O-N 3.23Å; C644-C647 PolarHBondContact O-N 3.32Å; C644-C647 PolarHBondContact O-SG 3.26Å; C644-Q648 WeakPolarHBondContact O-CB 3.25Å; C644-Q648 WeakPolarHBondContact O-CG 3.25Å; C644-Q648 PolarHBondContact O-N 2.9Å; C644-C663 WeakPolarHBondContact CA-SG 3.37Å; C644-C663 HydrophobicContact CB-CB 3.75Å; C644-C663 WeakPolarHBondContact CB-SG 3.5Å; C644-C663 WeakPolarHBondContact SG-CB 3.36Å; C644-C663 CovalentContact SG-SG 2.03Å; C644-C663 PolarHBondContact SG-SG 3.38Å; C644-F665 HydrophobicContact CB-CE2 4.06Å; C644-F665 HydrophobicContact CB-CZ 3.71Å
645	V	90.8	Very high	84.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-42.4	178.7	176.1	0	0	0	0	111.1	Y641 K642 Q649 F665 V667 F694 F696 V709 V711	Y641-V645 WeakPolarHBondContact O-CG2 3.33Å; Y641-V645 PolarHBondContact O-N 2.96Å; K642-V645 PolarHBondContact O-N 3.45Å; V645-Q649 WeakPolarHBondContact O-CB 3.24Å; V645-Q649 PolarHBondContact O-N 3.35Å; V645-Q649 VanDerWaalsContact O-N 3.13Å; V645-F665 HydrophobicContact CG2-CE2 4.28Å; V645-V667 HydrophobicContact CB-CG1 4.39Å; V645-V667 HydrophobicContact CG2-CG1 3.97Å; V645-F694 HydrophobicContact CG1-CD2 4.35Å; V645-F694 HydrophobicContact CG1-CE2 4.13Å; V645-F696 HydrophobicContact CB-CD1 4.21Å; V645-F696 HydrophobicContact CB-CE1 4.41Å; V645-F696 HydrophobicContact CB-CG 4.47Å; V645-F696 HydrophobicContact CG1-CB 4.08Å; V645-F696 HydrophobicContact CG1-CD1 3.94Å; V645-F696 HydrophobicContact CG1-CG 4.14Å; V645-F696 HydrophobicContact CG2-CB 4.37Å; V645-F696 HydrophobicContact CG2-CD1 4.01Å; V645-F696 HydrophobicContact CG2-CD2 3.95Å; V645-F696 HydrophobicContact CG2-CE1 4.17Å; V645-F696 HydrophobicContact CG2-CE2 4.12Å; V645-F696 HydrophobicContact CG2-CG 3.88Å; V645-F696 HydrophobicContact CG2-CZ 4.22Å; V645-V709 HydrophobicContact CG2-CG1 3.95Å; V645-V711 HydrophobicContact CG1-CB 4.06Å; V645-V711 HydrophobicContact CG1-CG2 3.54Å
646	M	88.6	Confident	85.7	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.039	29%	0.293	C	S	.	.	I	π-helix	trans	-62	-46.3	177.7	-68	179.3	73.6	0	0	112	K642 P643 F650 Q651 T652 D687 F694	K642-M646 HydrophobicContact CD-SD 4.43Å; K642-M646 HydrophobicContact CG-CG 4.5Å; K642-M646 HydrophobicContact CG-SD 3.99Å; K642-M646 WeakPolarHBondContact O-CG 3.16Å; K642-M646 PolarHBondContact O-N 2.03Å; P643-M646 PolarHBondContact O-N 3.28Å; M646-F650 CarbonylContact O-C 3.35Å; M646-F650 PolarHBondContact O-N 3.3Å; M646-Q651 PolarHBondContact O-N 3.05Å; M646-T652 CarbonylContact C-O 3.58Å; M646-T652 VanDerWaalsContact CB-O 3.3Å; M646-T652 WeakPolarHBondContact CB-O 3.3Å; M646-T652 PolarHBondContact O-N 2.03Å; M646-T652 VanDerWaalsContact O-N 3.16Å; M646-D687 HydrophobicContact CE-CB 4.26Å; M646-D687 VanDerWaalsContact CE-OD1 3.3Å; M646-D687 WeakPolarHBondContact CE-OD1 3.44Å; M646-F694 HydrophobicContact CE-CE1 4.34Å; M646-F694 HydrophobicContact CG-CE1 3.78Å; M646-F694 HydrophobicContact CG-CE2 4.03Å; M646-F694 HydrophobicContact CG-CZ 3.31Å; M646-F694 HydrophobicContact SD-CE1 3.99Å; M646-F694 HydrophobicContact SD-CZ 3.79Å
647	C	88.3	Confident	86.5	Confident	13 Å²	13	60.2 Å²	60.2	9%	0.088	31%	0.313	C	S	.	.	I	π-helix	trans	-73.3	-39.7	-176.1	77.8	0	0	0	0	112.7	P643 C644 Q651 T652 C660	P643-C647 WeakPolarHBondContact O-CB 3.34Å; P643-C647 PolarHBondContact O-N 2.75Å; P643-C647 PolarHBondContact O-SG 3.04Å; C644-C647 PolarHBondContact O-N 3.32Å; C644-C647 PolarHBondContact O-SG 3.26Å; C647-Q651 WeakPolarHBondContact O-CA 3.41Å; C647-Q651 PolarHBondContact O-N 3.47Å; C647-T652 WeakPolarHBondContact CA-O 3Å; C647-T652 PolarHBondContact N-O 3.15Å; C647-T652 VanDerWaalsContact N-O 3.15Å; C647-C660 HydrophobicContact CB-CB 3.81Å; C647-C660 WeakPolarHBondContact CB-SG 2.99Å; C647-C660 WeakPolarHBondContact SG-CA 3.32Å; C647-C660 WeakPolarHBondContact SG-CB 3.18Å; C647-C660 CovalentContact SG-SG 2.04Å; C647-C660 PolarHBondContact SG-SG 2.82Å
648	Q	90.3	Very high	86.7	Confident	55 Å²	55	59.7 Å²	59.7	26%	0.257	32%	0.319	S	S	.	.	I	π-helix	trans	-75.4	-37.5	-176.9	-70.4	-173.8	-2.4	0	0	112.6	C644 C660 F665 V667	C644-Q648 WeakPolarHBondContact O-CB 3.25Å; C644-Q648 WeakPolarHBondContact O-CG 3.25Å; C644-Q648 PolarHBondContact O-N 2.9Å; Q648-C660 WeakPolarHBondContact CG-SG 3.49Å; Q648-C660 PolarHBondContact N-SG 2.99Å; Q648-C660 VanDerWaalsContact N-SG 3.43Å; Q648-F665 PolarHBondContact NE2-O 2.77Å; Q648-F665 PolarHBondContact OE1-O 3.28Å; Q648-V667 HydrophobicContact CB-CG1 4.38Å; Q648-V667 HydrophobicContact CB-CG2 3.63Å
649	Q	89.6	Confident	86.7	Confident	51 Å²	51	63.1 Å²	63.1	24%	0.238	34%	0.335	C	S	.	.	I	π-helix	trans	-94.8	-48.1	-175	-177	58.9	26.1	0	0	113.6	V645 V667 V711	V645-Q649 WeakPolarHBondContact O-CB 3.24Å; V645-Q649 PolarHBondContact O-N 3.35Å; V645-Q649 VanDerWaalsContact O-N 3.13Å; Q649-V667 HydrophobicContact CB-CG2 4.2Å; Q649-V711 HydrophobicContact CB-CG1 3.94Å; Q649-V711 HydrophobicContact CB-CG2 4.25Å; Q649-V711 HydrophobicContact CG-CB 4.48Å; Q649-V711 HydrophobicContact CG-CG1 3.65Å; Q649-V711 HydrophobicContact CG-CG2 3.98Å
650	F	87.9	Confident	86.9	Confident	37 Å²	37	59 Å²	59	16%	0.162	31%	0.31	C	S	.	.	I	π-helix	trans	-104.8	-5.9	-170.5	-56.3	-66.9	0	0	0	112.8	M646 T652 F694 V711 R712 K715	M646-F650 CarbonylContact O-C 3.35Å; M646-F650 PolarHBondContact O-N 3.3Å; F650-T652 HydrophobicContact CB-CG2 4.32Å; F650-T652 PolarHBondContact O-N 2.87Å; F650-F694 HydrophobicContact CE2-CB 3.68Å; F650-F694 AromaticContact CE2-CD2 3.95Å; F650-F694 HydrophobicContact CE2-CD2 3.95Å; F650-F694 AromaticContact CE2-CG 3.89Å; F650-F694 HydrophobicContact CE2-CG 3.89Å; F650-F694 HydrophobicContact CZ-CB 3.89Å; F650-V711 HydrophobicContact CE2-CG2 3.96Å; F650-V711 HydrophobicContact CZ-CG2 4.08Å; F650-R712 WeakPolarHBondContact CZ-O 3.44Å; F650-K715 HydrophobicContact CD1-CG 4.38Å; F650-K715 HydrophobicContact CE1-CG 3.91Å; F650-K715 HydrophobicContact CZ-CG 4.21Å
651	Q	86.9	Confident	87	Confident	181 Å²	181	57.5 Å²	57.5	85%	0.846	32%	0.318	S	S	*	.	S	Bend	trans	56.3	31.3	-173.6	-57.9	170.2	-7.4	0	0	112.2	M646 C647	M646-Q651 PolarHBondContact O-N 3.05Å; C647-Q651 WeakPolarHBondContact O-CA 3.41Å; C647-Q651 PolarHBondContact O-N 3.47Å
652	T	85.3	Confident	87	Confident	31 Å²	31	64.5 Å²	64.5	19%	0.19	35%	0.351	C	S	.	.			trans	-119.8	176.4	178.6	61.1	0	0	0	0	111.3	M646 C647 F650 D687 A689	M646-T652 CarbonylContact C-O 3.58Å; M646-T652 VanDerWaalsContact CB-O 3.3Å; M646-T652 WeakPolarHBondContact CB-O 3.3Å; M646-T652 PolarHBondContact O-N 2.03Å; M646-T652 VanDerWaalsContact O-N 3.16Å; C647-T652 WeakPolarHBondContact CA-O 3Å; C647-T652 PolarHBondContact N-O 3.15Å; C647-T652 VanDerWaalsContact N-O 3.15Å; F650-T652 HydrophobicContact CB-CG2 4.32Å; F650-T652 PolarHBondContact O-N 2.87Å; T652-D687 WeakPolarHBondContact CB-OD2 2.97Å; T652-D687 WeakPolarHBondContact CG2-OD2 3.14Å; T652-D687 PolarHBondContact OG1-OD2 3.23Å; T652-A689 HydrophobicContact CG2-CB 4.12Å
653	G	84.9	Confident	86.9	Confident	42 Å²	42	62.8 Å²	62.8	43%	0.433	35%	0.345	S	S	.	.	S	Bend	trans	94	-173.4	175.7	0	0	0	0	0	114.1
654	P	84.7	Confident	86.8	Confident	100 Å²	100	66.3 Å²	66.3	65%	0.649	37%	0.368	S	S	*	.	S	Bend	trans	-83.3	-11.2	-168.4	32.7	-35.9	0	0	0	114.4	P643	P643-P654 HydrophobicContact CB-CG 3.98Å; P643-P654 HydrophobicContact CG-CG 4.36Å
655	Y	86.5	Confident	86.6	Confident	74 Å²	74	66.7 Å²	66.7	29%	0.29	37%	0.369	S	S	.	.			trans	-85.3	127.7	-177.2	-75.6	4.2	0	0	0	110.8	P643 M659	P643-Y655 HydrophobicContact CB-CD1 3.77Å; P643-Y655 HydrophobicContact CB-CD2 3.81Å; P643-Y655 HydrophobicContact CB-CE1 3.57Å; P643-Y655 HydrophobicContact CB-CE2 3.64Å; P643-Y655 HydrophobicContact CB-CG 3.88Å; P643-Y655 HydrophobicContact CG-CE1 4.17Å; Y655-M659 HydrophobicContact CD1-CB 4.22Å; Y655-M659 HydrophobicContact CD1-CE 3.88Å; Y655-M659 HydrophobicContact CD1-SD 4.31Å; Y655-M659 HydrophobicContact CD2-CB 4.18Å; Y655-M659 HydrophobicContact CE1-CE 3.76Å; Y655-M659 HydrophobicContact CG-CB 3.87Å
656	N	84.4	Confident	86.5	Confident	90 Å²	90	72.1 Å²	72.1	48%	0.481	40%	0.403	S	S	.	.			trans	-75	172.2	166.6	66	12.5	0	0	0	110.6	S658 M659 C660	N656-S658 PolarHBondContact ND2-OG 3.34Å; N656-S658 PolarHBondContact O-N 3.05Å; N656-S658 VanDerWaalsContact O-N 3.16Å; N656-S658 PolarHBondContact OD1-N 3.28Å; N656-S658 PolarHBondContact OD1-OG 3.36Å; N656-M659 PolarHBondContact O-N 2.87Å; N656-M659 VanDerWaalsContact O-N 3.09Å; N656-M659 WeakPolarHBondContact OD1-CB 3.22Å; N656-M659 VanDerWaalsContact OD1-CG 3.22Å; N656-M659 WeakPolarHBondContact OD1-CG 3.13Å; N656-M659 PolarHBondContact OD1-N 3.34Å; N656-C660 WeakPolarHBondContact O-CB 3.35Å; N656-C660 PolarHBondContact O-N 3.26Å
657	E	81.9	Confident	86.5	Confident	183 Å²	183	72.5 Å²	72.5	86%	0.855	41%	0.406	S	S	*	.	H	α-helix	trans	-52.9	-39.8	-178.8	-70.3	-179.6	173.8	0	0	113	C660 A661	E657-C660 PolarHBondContact O-N 2.98Å; E657-A661 PolarHBondContact O-N 3.43Å; E657-A661 VanDerWaalsContact O-N 3.11Å
658	S	83.9	Confident	86.6	Confident	66 Å²	66	75.4 Å²	75.4	46%	0.462	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-38.3	179.4	62.1	0	0	0	0	114	N656 Q662	N656-S658 PolarHBondContact ND2-OG 3.34Å; N656-S658 PolarHBondContact O-N 3.05Å; N656-S658 VanDerWaalsContact O-N 3.16Å; N656-S658 PolarHBondContact OD1-N 3.28Å; N656-S658 PolarHBondContact OD1-OG 3.36Å; S658-Q662 WeakPolarHBondContact O-CG 3.37Å; S658-Q662 PolarHBondContact O-NE2 2.03Å
659	M	84.8	Confident	86.4	Confident	84 Å²	84	75.6 Å²	75.6	41%	0.414	43%	0.426	S	S	.	.	H	α-helix	trans	-76.1	-33	177.4	-69.3	179	81.2	0	0	110.9	Y655 N656 A661 Q662	Y655-M659 HydrophobicContact CD1-CB 4.22Å; Y655-M659 HydrophobicContact CD1-CE 3.88Å; Y655-M659 HydrophobicContact CD1-SD 4.31Å; Y655-M659 HydrophobicContact CD2-CB 4.18Å; Y655-M659 HydrophobicContact CE1-CE 3.76Å; Y655-M659 HydrophobicContact CG-CB 3.87Å; N656-M659 PolarHBondContact O-N 2.87Å; N656-M659 VanDerWaalsContact O-N 3.09Å; N656-M659 WeakPolarHBondContact OD1-CB 3.22Å; N656-M659 VanDerWaalsContact OD1-CG 3.22Å; N656-M659 WeakPolarHBondContact OD1-CG 3.13Å; N656-M659 PolarHBondContact OD1-N 3.34Å; M659-A661 VanDerWaalsContact C-N 3.3Å; M659-A661 PolarHBondContact O-N 2.78Å; M659-Q662 PolarHBondContact O-N 2.8Å; M659-Q662 VanDerWaalsContact O-N 3.16Å
660	C	86.9	Confident	86.4	Confident	19 Å²	19	74.6 Å²	74.6	13%	0.128	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-36	176.4	-159.4	0	0	0	0	112.4	C647 Q648 N656 E657 Q662 C663	C647-C660 HydrophobicContact CB-CB 3.81Å; C647-C660 WeakPolarHBondContact CB-SG 2.99Å; C647-C660 WeakPolarHBondContact SG-CA 3.32Å; C647-C660 WeakPolarHBondContact SG-CB 3.18Å; C647-C660 CovalentContact SG-SG 2.04Å; C647-C660 PolarHBondContact SG-SG 2.82Å; Q648-C660 WeakPolarHBondContact CG-SG 3.49Å; Q648-C660 PolarHBondContact N-SG 2.99Å; Q648-C660 VanDerWaalsContact N-SG 3.43Å; N656-C660 WeakPolarHBondContact O-CB 3.35Å; N656-C660 PolarHBondContact O-N 3.26Å; E657-C660 PolarHBondContact O-N 2.98Å; C660-Q662 VanDerWaalsContact C-N 3.26Å; C660-Q662 PolarHBondContact O-N 3.5Å; C660-C663 WeakPolarHBondContact O-CB 3.01Å; C660-C663 PolarHBondContact O-N 3.28Å; C660-C663 PolarHBondContact O-SG 3.49Å; C660-C663 VanDerWaalsContact O-SG 3.35Å
661	A	85.7	Confident	86.3	Confident	85 Å²	85	78.1 Å²	78.1	70%	0.702	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.5	175.1	0	0	0	0	0	114	E657 M659	E657-A661 PolarHBondContact O-N 3.43Å; E657-A661 VanDerWaalsContact O-N 3.11Å; M659-A661 VanDerWaalsContact C-N 3.3Å; M659-A661 PolarHBondContact O-N 2.78Å
662	Q	87.6	Confident	86.1	Confident	156 Å²	156	77.5 Å²	77.5	73%	0.729	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	2.3	178.4	-68.8	174	33	0	0	113.3	S658 M659 C660	S658-Q662 WeakPolarHBondContact O-CG 3.37Å; S658-Q662 PolarHBondContact O-NE2 2.03Å; M659-Q662 PolarHBondContact O-N 2.8Å; M659-Q662 VanDerWaalsContact O-N 3.16Å; C660-Q662 VanDerWaalsContact C-N 3.26Å; C660-Q662 PolarHBondContact O-N 3.5Å
663	C	87.9	Confident	86.1	Confident	17 Å²	17	77.5 Å²	77.5	12%	0.115	44%	0.439	C	S	.	.			trans	-63.9	137.1	178.4	-71	0	0	0	0	111.2	C644 C660 F665	C644-C663 WeakPolarHBondContact CA-SG 3.37Å; C644-C663 HydrophobicContact CB-CB 3.75Å; C644-C663 WeakPolarHBondContact CB-SG 3.5Å; C644-C663 WeakPolarHBondContact SG-CB 3.36Å; C644-C663 CovalentContact SG-SG 2.03Å; C644-C663 PolarHBondContact SG-SG 3.38Å; C660-C663 WeakPolarHBondContact O-CB 3.01Å; C660-C663 PolarHBondContact O-N 3.28Å; C660-C663 PolarHBondContact O-SG 3.49Å; C660-C663 VanDerWaalsContact O-SG 3.35Å; C663-F665 PolarHBondContact O-N 2.89Å
664	P	85.6	Confident	85.9	Confident	96 Å²	96	77.6 Å²	77.6	62%	0.623	43%	0.432	S	S	*	.	S	Bend	trans	-71.6	0.8	-172.7	25	-29.2	0	0	0	114.1	Y641	Y641-P664 HydrophobicContact CE1-CG 4.38Å
665	F	87.1	Confident	85.3	Confident	12 Å²	12	81.4 Å²	81.4	5%	0.053	44%	0.441	C	S	.	.	S	Bend	trans	-149.7	165.9	-179.1	53.1	-91.4	0	0	0	111.1	Y641 C644 V645 Q648 C663 V667 V707 V709	Y641-F665 HydrophobicContact CD1-CD1 4.49Å; Y641-F665 AromaticContact CD1-CE1 3.39Å; Y641-F665 HydrophobicContact CD1-CE1 3.39Å; Y641-F665 AromaticContact CD1-CZ 3.92Å; Y641-F665 HydrophobicContact CD1-CZ 3.92Å; Y641-F665 HydrophobicContact CD2-CE1 4.04Å; Y641-F665 HydrophobicContact CD2-CZ 4.31Å; Y641-F665 HydrophobicContact CE1-CD1 4.39Å; Y641-F665 AromaticContact CE1-CE1 3.66Å; Y641-F665 HydrophobicContact CE1-CE1 3.66Å; Y641-F665 HydrophobicContact CE2-CE1 4.28Å; Y641-F665 AromaticContact CG-CE1 3.57Å; Y641-F665 HydrophobicContact CG-CE1 3.57Å; Y641-F665 AromaticContact CG-CZ 3.72Å; Y641-F665 HydrophobicContact CG-CZ 3.72Å; C644-F665 HydrophobicContact CB-CE2 4.06Å; C644-F665 HydrophobicContact CB-CZ 3.71Å; V645-F665 HydrophobicContact CG2-CE2 4.28Å; Q648-F665 PolarHBondContact NE2-O 2.77Å; Q648-F665 PolarHBondContact OE1-O 3.28Å; C663-F665 PolarHBondContact O-N 2.89Å; F665-V667 HydrophobicContact CD2-CG1 4.31Å; F665-V667 HydrophobicContact CE2-CG1 4.05Å; F665-V707 HydrophobicContact CB-CG1 3.72Å; F665-V707 HydrophobicContact CD1-CG1 3.41Å; F665-V707 VanDerWaalsContact CD1-CG1 3.41Å; F665-V707 HydrophobicContact CE1-CG1 4.38Å; F665-V707 HydrophobicContact CG-CG1 3.89Å; F665-V709 HydrophobicContact CB-CG2 4.37Å; F665-V709 HydrophobicContact CD1-CG2 4.02Å; F665-V709 HydrophobicContact CD2-CB 3.72Å; F665-V709 HydrophobicContact CD2-CG1 4.37Å; F665-V709 HydrophobicContact CD2-CG2 3.4Å; F665-V709 HydrophobicContact CE1-CG2 4.19Å; F665-V709 HydrophobicContact CE2-CB 3.92Å; F665-V709 HydrophobicContact CE2-CG1 4.07Å; F665-V709 HydrophobicContact CE2-CG2 3.58Å; F665-V709 HydrophobicContact CG-CB 4.38Å; F665-V709 HydrophobicContact CG-CG2 3.64Å; F665-V709 HydrophobicContact CZ-CG2 3.98Å
666	T	87.1	Confident	84.2	Confident	115 Å²	115	79.8 Å²	79.8	71%	0.706	44%	0.439	S	S	*	.			trans	-109.6	130.6	169.3	-40.8	0	0	0	0	108.8
667	V	88.6	Confident	83.1	Confident	16 Å²	16	84.1 Å²	84.1	10%	0.097	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141.3	178.6	-63.9	0	0	0	0	112.2	V645 Q648 Q649 F665 P669 V709 V711	V645-V667 HydrophobicContact CB-CG1 4.39Å; V645-V667 HydrophobicContact CG2-CG1 3.97Å; Q648-V667 HydrophobicContact CB-CG1 4.38Å; Q648-V667 HydrophobicContact CB-CG2 3.63Å; Q649-V667 HydrophobicContact CB-CG2 4.2Å; F665-V667 HydrophobicContact CD2-CG1 4.31Å; F665-V667 HydrophobicContact CE2-CG1 4.05Å; V667-P669 WeakPolarHBondContact O-CD 3.22Å; V667-V709 HydrophobicContact CG1-CG1 4.23Å; V667-V711 HydrophobicContact CB-CG1 3.9Å; V667-V711 HydrophobicContact CG2-CG1 4.14Å
668	I	90.4	Very high	81.7	Confident	74 Å²	74	83.4 Å²	83.4	38%	0.379	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.6	174.8	-56.3	173.3	0	0	0	108.6	V670 T708 V709 W710 V711	I668-V670 HydrophobicContact CG2-CG1 4.28Å; I668-V670 PolarHBondContact O-N 3.36Å; I668-T708 HydrophobicContact CD1-CG2 3.88Å; I668-V709 PolarHBondContact N-O 3.41Å; I668-W710 HydrophobicContact CB-CG 4.45Å; I668-W710 CarbonylContact O-C 3.03Å; I668-W710 WeakPolarHBondContact O-CA 3.06Å; I668-V711 PolarHBondContact O-N 2.8Å
669	P	87.9	Confident	80.9	Confident	59 Å²	59	85.9 Å²	85.9	38%	0.383	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.3	177.6	24.5	-30.2	0	0	0	111.9	V667 V711 K713	V667-P669 WeakPolarHBondContact O-CD 3.22Å; P669-V711 CarbonylContact C-O 3.49Å; P669-V711 WeakPolarHBondContact CA-O 2.97Å; P669-V711 HydrophobicContact CB-CG1 4.49Å; P669-K713 HydrophobicContact CB-CD 4.4Å; P669-K713 HydrophobicContact CB-CG 3.74Å
670	V	89	Confident	80.4	Confident	29 Å²	29	83 Å²	83	18%	0.176	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.3	178.1	-66	0	0	0	0	110.7	I668 E672 L673 W710 V711 R712 K713	I668-V670 HydrophobicContact CG2-CG1 4.28Å; I668-V670 PolarHBondContact O-N 3.36Å; V670-E672 WeakPolarHBondContact CB-O 2.98Å; V670-E672 VanDerWaalsContact CG2-O 3.22Å; V670-E672 WeakPolarHBondContact CG2-O 3.37Å; V670-L673 HydrophobicContact CG2-CD2 4.01Å; V670-W710 HydrophobicContact CG2-CB 4.09Å; V670-V711 WeakPolarHBondContact CG2-O 3.44Å; V670-V711 PolarHBondContact N-O 3.19Å; V670-R712 CarbonylContact O-C 3.38Å; V670-R712 VanDerWaalsContact O-CA 3.26Å; V670-R712 WeakPolarHBondContact O-CA 3.38Å; V670-K713 PolarHBondContact O-N 2.8Å
671	D	84.8	Confident	80.1	Confident	111 Å²	111	84 Å²	84	59%	0.594	47%	0.466	S	S	*	.	S	Bend	trans	-73.2	-36.8	176.5	-58.4	-44.2	0	0	0	110.8	R712 K713	D671-R712 VanDerWaalsContact O-CG 3.23Å; D671-R712 WeakPolarHBondContact O-CG 3.25Å; D671-K713 VanDerWaalsContact OD1-CD 3.28Å; D671-K713 WeakPolarHBondContact OD1-CD 2.84Å; D671-K713 WeakPolarHBondContact OD1-CE 3.33Å; D671-K713 IonicContact OD1-NZ 2.72Å; D671-K713 PolarHBondContact OD1-NZ 3.23Å; D671-K713 IonicContact OD2-NZ 3Å; D671-K713 PolarHBondContact OD2-NZ 3.41Å
672	E	82.4	Confident	80.1	Confident	169 Å²	169	86.2 Å²	86.2	79%	0.79	46%	0.46	S	S	*	.	S	Bend	trans	-131.3	141.3	172.4	-71	-178.3	166	0	0	110.3	V670	V670-E672 WeakPolarHBondContact CB-O 2.98Å; V670-E672 VanDerWaalsContact CG2-O 3.22Å; V670-E672 WeakPolarHBondContact CG2-O 3.37Å
673	L	85.1	Confident	80.1	Confident	30 Å²	30	79 Å²	79	16%	0.157	43%	0.426	C	S	.	.			trans	-68.8	131.5	178.7	-67.5	176	0	0	0	110.4	V670 L697 W710	V670-L673 HydrophobicContact CG2-CD2 4.01Å; L673-L697 HydrophobicContact CD1-CB 4.46Å; L673-L697 HydrophobicContact CD2-CB 4.31Å; L673-W710 HydrophobicContact CD2-CB 4.15Å; L673-W710 VanDerWaalsContact CD2-O 3.3Å; L673-W710 WeakPolarHBondContact CD2-O 3.3Å
674	P	81	Confident	80.1	Confident	44 Å²	44	83.7 Å²	83.7	29%	0.286	45%	0.447	S	S	.	.			trans	-63	149.6	-178.5	25	-32.9	0	0	0	112.2	W710	P674-W710 HydrophobicContact CG-CB 4.34Å; P674-W710 HydrophobicContact CG-CD2 3.85Å; P674-W710 HydrophobicContact CG-CE3 4.35Å; P674-W710 HydrophobicContact CG-CG 3.86Å
675	E	73.3	Confident	80.3	Confident	181 Å²	181	81.2 Å²	81.2	85%	0.846	43%	0.426	S	S	*	.			trans	-85.8	106.4	168.8	-65.9	-169.7	158.7	0	0	109.2
676	T	62.9	Low	80.3	Confident	40 Å²	40	84 Å²	84	25%	0.245	44%	0.444	C	S	.	.			trans	-92	131.2	178.5	70.5	0	0	0	0	110.1	R678 L697	T676-R678 PolarHBondContact OG1-O 3.4Å; T676-L697 HydrophobicContact CG2-CD2 3.55Å
677	N	60.3	Low	80.1	Confident	181 Å²	181	78.6 Å²	78.6	97%	0.968	41%	0.411	S	S	*	.	S	Bend	trans	-76.6	-14.4	170.8	-79.2	-22.4	0	0	0	112.9
678	R	54.3	Low	79.7	Confident	168 Å²	168	86.1 Å²	86.1	63%	0.634	45%	0.445	S	S	*	.	S	Bend	trans	-94.9	166.4	174.4	-70	177.1	179.5	-164.8	-1.1	109.7	T676 G680 E699	T676-R678 PolarHBondContact OG1-O 3.4Å; R678-G680 PolarHBondContact O-N 2.93Å; R678-E699 WeakPolarHBondContact CB-OE1 3.31Å; R678-E699 WeakPolarHBondContact CD-OE1 3.27Å
679	S	66.8	Low	79.2	Confident	118 Å²	118	86.2 Å²	86.2	83%	0.825	46%	0.457	S	S	*	.			trans	-61.5	47.1	-172.9	-48.6	0	0	0	0	115.7
680	G	73.7	Confident	78.9	Confident	22 Å²	22	86.9 Å²	86.9	23%	0.227	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.1	173.9	0	0	0	0	0	110.8	R678 Y698	R678-G680 PolarHBondContact O-N 2.93Å; G680-Y698 CarbonylContact C-O 3.52Å; G680-Y698 WeakPolarHBondContact CA-O 3.33Å
681	V	81.6	Confident	78.5	Confident	41 Å²	41	91.5 Å²	91.5	25%	0.248	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.9	-177.9	-178.9	0	0	0	0	108.8	T636 L697 Y698	T636-V681 HydrophobicContact CG2-CG1 4Å; V681-L697 WeakPolarHBondContact O-CA 3.01Å; V681-Y698 HydrophobicContact CB-CD1 4.1Å; V681-Y698 HydrophobicContact CB-CE1 3.56Å; V681-Y698 HydrophobicContact CB-CE2 4.27Å; V681-Y698 HydrophobicContact CG1-CE1 3.81Å; V681-Y698 HydrophobicContact CG2-CE1 4.27Å; V681-Y698 HydrophobicContact CG2-CE2 4.24Å; V681-Y698 PolarHBondContact N-O 2.95Å; V681-Y698 PolarHBondContact O-N 3.31Å; V681-Y698 VanDerWaalsContact O-N 3.08Å
682	K	85	Confident	78.7	Confident	132 Å²	132	86.6 Å²	86.6	57%	0.574	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.2	172	-66.4	-173.6	-179.6	-178.7	0	109.6	L697	K682-L697 HydrophobicContact CB-CD1 4.45Å; K682-L697 HydrophobicContact CD-CD1 4.31Å; K682-L697 HydrophobicContact CG-CB 4.41Å; K682-L697 HydrophobicContact CG-CD1 3.37Å; K682-L697 HydrophobicContact CG-CG 4.4Å
683	C	87.4	Confident	78.9	Confident	4 Å²	4	79.8 Å²	79.8	3%	0.027	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.2	177.8	-50.9	0	0	0	0	109.8	C638 F685 Y695 F696	C638-C683 WeakPolarHBondContact CA-SG 3.49Å; C638-C683 HydrophobicContact CB-CB 3.75Å; C638-C683 WeakPolarHBondContact CB-SG 3.2Å; C638-C683 WeakPolarHBondContact SG-CB 3.43Å; C638-C683 CovalentContact SG-SG 2.03Å; C638-C683 PolarHBondContact SG-SG 2.99Å; C683-F685 HydrophobicContact CB-CE2 4.13Å; C683-Y695 WeakPolarHBondContact O-CA 3.13Å; C683-F696 HydrophobicContact CB-CD1 3.8Å; C683-F696 HydrophobicContact CB-CD2 3.89Å; C683-F696 HydrophobicContact CB-CE1 3.47Å; C683-F696 VanDerWaalsContact CB-CE1 3.47Å; C683-F696 HydrophobicContact CB-CE2 3.56Å; C683-F696 HydrophobicContact CB-CG 4.02Å; C683-F696 HydrophobicContact CB-CZ 3.35Å; C683-F696 PolarHBondContact N-O 2.78Å; C683-F696 PolarHBondContact O-N 2.88Å; C683-F696 WeakPolarHBondContact SG-CE2 3.37Å; C683-F696 VanDerWaalsContact SG-CZ 3.57Å
684	Q	88.5	Confident	79.2	Confident	116 Å²	116	78.4 Å²	78.4	54%	0.542	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.9	-179.9	174.7	-176.2	1.4	0	0	109.5	T693 Y695	Q684-T693 HydrophobicContact CG-CG2 3.62Å; Q684-Y695 HydrophobicContact CB-CD1 3.79Å; Q684-Y695 HydrophobicContact CB-CE1 3.87Å; Q684-Y695 HydrophobicContact CG-CD1 3.76Å; Q684-Y695 HydrophobicContact CG-CE1 3.38Å; Q684-Y695 PolarHBondContact NE2-OH 2.71Å
685	F	90.1	Very high	79.6	Confident	43 Å²	43	79 Å²	79	19%	0.189	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.8	175.6	-66.2	-76.4	0	0	0	111.5	C638 V639 K642 C683 F694 F696	C638-F685 HydrophobicContact CB-CE2 4.22Å; C638-F685 HydrophobicContact CB-CZ 4.18Å; C638-F685 WeakPolarHBondContact O-CE2 3.47Å; V639-F685 HydrophobicContact CG2-CZ 4.28Å; K642-F685 HydrophobicContact CB-CD2 4.01Å; K642-F685 HydrophobicContact CB-CE2 3.78Å; K642-F685 HydrophobicContact CB-CZ 4.16Å; K642-F685 HydrophobicContact CD-CB 4.3Å; K642-F685 HydrophobicContact CD-CD1 3.68Å; K642-F685 HydrophobicContact CD-CD2 4.05Å; K642-F685 HydrophobicContact CD-CE1 3.93Å; K642-F685 HydrophobicContact CD-CE2 4.27Å; K642-F685 HydrophobicContact CD-CG 3.74Å; K642-F685 HydrophobicContact CD-CZ 4.21Å; K642-F685 HydrophobicContact CG-CB 4.43Å; K642-F685 HydrophobicContact CG-CD1 4.35Å; K642-F685 HydrophobicContact CG-CD2 3.79Å; K642-F685 HydrophobicContact CG-CE2 4.06Å; K642-F685 HydrophobicContact CG-CG 3.93Å; K642-F685 HydrophobicContact CG-CZ 4.44Å; C683-F685 HydrophobicContact CB-CE2 4.13Å; F685-F694 HydrophobicContact CB-CD1 4.31Å; F685-F694 HydrophobicContact CB-CE1 3.6Å; F685-F694 HydrophobicContact CB-CE2 4.16Å; F685-F694 HydrophobicContact CB-CZ 3.53Å; F685-F694 HydrophobicContact CD2-CE2 4.42Å; F685-F694 HydrophobicContact CD2-CZ 4.33Å; F685-F694 HydrophobicContact CG-CZ 4.32Å; F685-F694 PolarHBondContact N-O 3.3Å; F685-F694 VanDerWaalsContact O-CD1 3.23Å; F685-F694 WeakPolarHBondContact O-CD1 3.45Å; F685-F694 PolarHBondContact O-N 3.29Å; F685-F696 AromaticContact CD2-CE1 3.75Å; F685-F696 HydrophobicContact CD2-CE1 3.75Å; F685-F696 AromaticContact CE2-CE1 3.76Å; F685-F696 HydrophobicContact CE2-CE1 3.76Å; F685-F696 HydrophobicContact CE2-CZ 4.09Å
686	V	85.7	Confident	80.5	Confident	70 Å²	70	70.4 Å²	70.4	42%	0.424	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.9	170.5	-178.2	0	0	0	0	108.3
687	D	82.6	Confident	81.8	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	36%	0.363	C	S	.	.			trans	-80.9	124.5	168.7	-169.1	-15	0	0	0	108.9	M646 T652 A689 D690 D691 C692 F694 K715	M646-D687 HydrophobicContact CE-CB 4.26Å; M646-D687 VanDerWaalsContact CE-OD1 3.3Å; M646-D687 WeakPolarHBondContact CE-OD1 3.44Å; T652-D687 WeakPolarHBondContact CB-OD2 2.97Å; T652-D687 WeakPolarHBondContact CG2-OD2 3.14Å; T652-D687 PolarHBondContact OG1-OD2 3.23Å; D687-A689 PolarHBondContact O-N 2.94Å; D687-A689 WeakPolarHBondContact OD1-CB 3.33Å; D687-A689 PolarHBondContact OD1-N 3.23Å; D687-D690 WeakPolarHBondContact CB-OD1 3.37Å; D687-D691 WeakPolarHBondContact O-CA 3.3Å; D687-D691 PolarHBondContact O-N 2.79Å; D687-C692 PolarHBondContact N-O 3.19Å; D687-F694 HydrophobicContact CB-CD1 4.02Å; D687-F694 HydrophobicContact CB-CE1 4.21Å; D687-K715 HydrophobicContact CB-CD 4.49Å; D687-K715 VanDerWaalsContact CG-NZ 3.3Å; D687-K715 WeakPolarHBondContact OD2-CE 3.34Å; D687-K715 IonicContact OD2-NZ 3.66Å; D687-K715 PolarHBondContact OD2-NZ 2.66Å
688	Q	81.1	Confident	83.1	Confident	173 Å²	173	60.5 Å²	60.5	81%	0.808	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.1	-177.7	-66.7	177.1	-21.7	0	0	112.7
689	A	78.8	Confident	84.4	Confident	76 Å²	76	54 Å²	54	63%	0.628	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-34.8	179.6	0	0	0	0	0	113.3	T652 D687	T652-A689 HydrophobicContact CG2-CB 4.12Å; D687-A689 PolarHBondContact O-N 2.94Å; D687-A689 WeakPolarHBondContact OD1-CB 3.33Å; D687-A689 PolarHBondContact OD1-N 3.23Å
690	D	82.6	Confident	85	Confident	73 Å²	73	51.3 Å²	51.3	39%	0.39	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	4	-173.5	53.1	9.3	0	0	0	114.3	D687 C692 K715	D687-D690 WeakPolarHBondContact CB-OD1 3.37Å; D690-C692 PolarHBondContact O-N 2.7Å; D690-C692 PolarHBondContact O-SG 2.6Å; D690-C692 PolarHBondContact OD1-N 2.04Å; D690-K715 IonicContact OD1-NZ 2.86Å; D690-K715 PolarHBondContact OD1-NZ 2.64Å; D690-K715 VanDerWaalsContact OD2-CD 3.3Å; D690-K715 WeakPolarHBondContact OD2-CD 3.29Å; D690-K715 IonicContact OD2-NZ 3.96Å; D690-K715 PolarHBondContact OD2-NZ 2.99Å
691	D	81.2	Confident	85	Confident	127 Å²	127	52.8 Å²	52.8	68%	0.679	28%	0.275	S	S	*	.	S	Bend	trans	54.5	18.4	-172.6	-74.2	-31.1	0	0	0	113.6	D687	D687-D691 WeakPolarHBondContact O-CA 3.3Å; D687-D691 PolarHBondContact O-N 2.79Å
692	C	88	Confident	84.2	Confident	7 Å²	7	56 Å²	56	5%	0.047	30%	0.297	C	S	.	.			trans	-92.2	150	178.4	-56.6	0	0	0	0	110.7	D687 D690 K715 D716 C717	D687-C692 PolarHBondContact N-O 3.19Å; D690-C692 PolarHBondContact O-N 2.7Å; D690-C692 PolarHBondContact O-SG 2.6Å; D690-C692 PolarHBondContact OD1-N 2.04Å; C692-K715 HydrophobicContact CB-CB 3.59Å; C692-K715 HydrophobicContact CB-CD 3.89Å; C692-K715 HydrophobicContact CB-CG 4.42Å; C692-D716 WeakPolarHBondContact CA-O 3.43Å; C692-C717 HydrophobicContact CB-CB 4.23Å; C692-C717 WeakPolarHBondContact CB-SG 3.49Å; C692-C717 WeakPolarHBondContact SG-CB 3.02Å; C692-C717 CovalentContact SG-SG 2.04Å; C692-C717 PolarHBondContact SG-SG 2.96Å
693	T	87.5	Confident	83.4	Confident	26 Å²	26	56.9 Å²	56.9	16%	0.16	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.2	-177.3	-55.8	0	0	0	0	110.9	Q684 Y695 K715 D716	Q684-T693 HydrophobicContact CG-CG2 3.62Å; T693-Y695 HydrophobicContact CG2-CD2 4.4Å; T693-Y695 HydrophobicContact CG2-CE1 4.25Å; T693-Y695 HydrophobicContact CG2-CE2 3.65Å; T693-K715 WeakPolarHBondContact O-CA 3.35Å; T693-D716 PolarHBondContact N-O 3.15Å; T693-D716 PolarHBondContact O-N 3.32Å
694	F	90.2	Very high	82.7	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.4	174	73	-88.1	0	0	0	111.9	K642 V645 M646 F650 F685 D687 F696 K715	K642-F694 HydrophobicContact CG-CZ 4.08Å; V645-F694 HydrophobicContact CG1-CD2 4.35Å; V645-F694 HydrophobicContact CG1-CE2 4.13Å; M646-F694 HydrophobicContact CE-CE1 4.34Å; M646-F694 HydrophobicContact CG-CE1 3.78Å; M646-F694 HydrophobicContact CG-CE2 4.03Å; M646-F694 HydrophobicContact CG-CZ 3.31Å; M646-F694 HydrophobicContact SD-CE1 3.99Å; M646-F694 HydrophobicContact SD-CZ 3.79Å; F650-F694 HydrophobicContact CE2-CB 3.68Å; F650-F694 AromaticContact CE2-CD2 3.95Å; F650-F694 HydrophobicContact CE2-CD2 3.95Å; F650-F694 AromaticContact CE2-CG 3.89Å; F650-F694 HydrophobicContact CE2-CG 3.89Å; F650-F694 HydrophobicContact CZ-CB 3.89Å; F685-F694 HydrophobicContact CB-CD1 4.31Å; F685-F694 HydrophobicContact CB-CE1 3.6Å; F685-F694 HydrophobicContact CB-CE2 4.16Å; F685-F694 HydrophobicContact CB-CZ 3.53Å; F685-F694 HydrophobicContact CD2-CE2 4.42Å; F685-F694 HydrophobicContact CD2-CZ 4.33Å; F685-F694 HydrophobicContact CG-CZ 4.32Å; F685-F694 PolarHBondContact N-O 3.3Å; F685-F694 VanDerWaalsContact O-CD1 3.23Å; F685-F694 WeakPolarHBondContact O-CD1 3.45Å; F685-F694 PolarHBondContact O-N 3.29Å; D687-F694 HydrophobicContact CB-CD1 4.02Å; D687-F694 HydrophobicContact CB-CE1 4.21Å; F694-F696 HydrophobicContact CD2-CD1 4.38Å; F694-F696 HydrophobicContact CE2-CD1 4.05Å; F694-F696 HydrophobicContact CE2-CE1 4.26Å; F694-K715 HydrophobicContact CB-CG 4.29Å
695	Y	91	Very high	81.6	Confident	57 Å²	57	60.5 Å²	60.5	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.2	-173.4	-57.9	-97.3	0	0	0	110.4	C683 Q684 T693 R712 D716	C683-Y695 WeakPolarHBondContact O-CA 3.13Å; Q684-Y695 HydrophobicContact CB-CD1 3.79Å; Q684-Y695 HydrophobicContact CB-CE1 3.87Å; Q684-Y695 HydrophobicContact CG-CD1 3.76Å; Q684-Y695 HydrophobicContact CG-CE1 3.38Å; Q684-Y695 PolarHBondContact NE2-OH 2.71Å; T693-Y695 HydrophobicContact CG2-CD2 4.4Å; T693-Y695 HydrophobicContact CG2-CE1 4.25Å; T693-Y695 HydrophobicContact CG2-CE2 3.65Å; Y695-R712 VanDerWaalsContact CD2-NH2 3.33Å; Y695-R712 PolarHBondContact O-N 3.38Å; Y695-D716 WeakPolarHBondContact CE2-OD2 3.43Å
696	F	91.6	Very high	81	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.4	171.5	70.2	-90.7	0	0	0	111.3	V645 C683 F685 F694 Y698 V709 W710 V711	V645-F696 HydrophobicContact CB-CD1 4.21Å; V645-F696 HydrophobicContact CB-CE1 4.41Å; V645-F696 HydrophobicContact CB-CG 4.47Å; V645-F696 HydrophobicContact CG1-CB 4.08Å; V645-F696 HydrophobicContact CG1-CD1 3.94Å; V645-F696 HydrophobicContact CG1-CG 4.14Å; V645-F696 HydrophobicContact CG2-CB 4.37Å; V645-F696 HydrophobicContact CG2-CD1 4.01Å; V645-F696 HydrophobicContact CG2-CD2 3.95Å; V645-F696 HydrophobicContact CG2-CE1 4.17Å; V645-F696 HydrophobicContact CG2-CE2 4.12Å; V645-F696 HydrophobicContact CG2-CG 3.88Å; V645-F696 HydrophobicContact CG2-CZ 4.22Å; C683-F696 HydrophobicContact CB-CD1 3.8Å; C683-F696 HydrophobicContact CB-CD2 3.89Å; C683-F696 HydrophobicContact CB-CE1 3.47Å; C683-F696 VanDerWaalsContact CB-CE1 3.47Å; C683-F696 HydrophobicContact CB-CE2 3.56Å; C683-F696 HydrophobicContact CB-CG 4.02Å; C683-F696 HydrophobicContact CB-CZ 3.35Å; C683-F696 PolarHBondContact N-O 2.78Å; C683-F696 PolarHBondContact O-N 2.88Å; C683-F696 WeakPolarHBondContact SG-CE2 3.37Å; C683-F696 VanDerWaalsContact SG-CZ 3.57Å; F685-F696 AromaticContact CD2-CE1 3.75Å; F685-F696 HydrophobicContact CD2-CE1 3.75Å; F685-F696 AromaticContact CE2-CE1 3.76Å; F685-F696 HydrophobicContact CE2-CE1 3.76Å; F685-F696 HydrophobicContact CE2-CZ 4.09Å; F694-F696 HydrophobicContact CD2-CD1 4.38Å; F694-F696 HydrophobicContact CE2-CD1 4.05Å; F694-F696 HydrophobicContact CE2-CE1 4.26Å; F696-Y698 HydrophobicContact CE2-CD1 4.32Å; F696-V709 HydrophobicContact CB-CG1 4.42Å; F696-V709 HydrophobicContact CD2-CG1 3.89Å; F696-W710 CarbonylContact C-O 3.6Å; F696-W710 WeakPolarHBondContact CA-O 3.28Å; F696-W710 VanDerWaalsContact CB-O 3.24Å; F696-W710 WeakPolarHBondContact CB-O 3.44Å; F696-V711 HydrophobicContact CB-CB 4.23Å; F696-V711 HydrophobicContact CB-CG2 4.3Å
697	L	89.8	Confident	81	Confident	2 Å²	2	61 Å²	61	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	174.2	176.9	125.4	0	0	0	108.5	L673 T676 V681 K682 V709 W710	L673-L697 HydrophobicContact CD1-CB 4.46Å; L673-L697 HydrophobicContact CD2-CB 4.31Å; T676-L697 HydrophobicContact CG2-CD2 3.55Å; V681-L697 WeakPolarHBondContact O-CA 3.01Å; K682-L697 HydrophobicContact CB-CD1 4.45Å; K682-L697 HydrophobicContact CD-CD1 4.31Å; K682-L697 HydrophobicContact CG-CB 4.41Å; K682-L697 HydrophobicContact CG-CD1 3.37Å; K682-L697 HydrophobicContact CG-CG 4.4Å; L697-V709 CarbonylContact O-C 3.34Å; L697-V709 WeakPolarHBondContact O-CA 3.03Å; L697-W710 HydrophobicContact CD2-CD2 4.45Å; L697-W710 HydrophobicContact CD2-CE3 3.45Å; L697-W710 VanDerWaalsContact CD2-CE3 3.45Å; L697-W710 HydrophobicContact CD2-CZ3 3.58Å; L697-W710 PolarHBondContact N-O 2.98Å; L697-W710 PolarHBondContact O-N 3.49Å
698	Y	86.9	Confident	81.2	Confident	11 Å²	11	63.7 Å²	63.7	4%	0.043	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.5	169.8	78	-94.1	0	0	0	111.5	K637 Y641 G680 V681 F696 L700 V707 T708	K637-Y698 HydrophobicContact CB-CE1 4.41Å; K637-Y698 HydrophobicContact CB-CE2 4.42Å; K637-Y698 PolarHBondContact N-OH 2.98Å; Y641-Y698 AromaticContact CD2-CD1 3.97Å; Y641-Y698 HydrophobicContact CD2-CD1 3.97Å; Y641-Y698 HydrophobicContact CD2-CD2 4.4Å; Y641-Y698 HydrophobicContact CD2-CE1 4.47Å; Y641-Y698 AromaticContact CD2-CG 3.93Å; Y641-Y698 HydrophobicContact CD2-CG 3.93Å; Y641-Y698 HydrophobicContact CE2-CD1 4.32Å; Y641-Y698 AromaticContact CE2-CD2 3.94Å; Y641-Y698 HydrophobicContact CE2-CD2 3.94Å; Y641-Y698 HydrophobicContact CE2-CE2 4.38Å; Y641-Y698 AromaticContact CE2-CG 3.93Å; Y641-Y698 HydrophobicContact CE2-CG 3.93Å; G680-Y698 CarbonylContact C-O 3.52Å; G680-Y698 WeakPolarHBondContact CA-O 3.33Å; V681-Y698 HydrophobicContact CB-CD1 4.1Å; V681-Y698 HydrophobicContact CB-CE1 3.56Å; V681-Y698 HydrophobicContact CB-CE2 4.27Å; V681-Y698 HydrophobicContact CG1-CE1 3.81Å; V681-Y698 HydrophobicContact CG2-CE1 4.27Å; V681-Y698 HydrophobicContact CG2-CE2 4.24Å; V681-Y698 PolarHBondContact N-O 2.95Å; V681-Y698 PolarHBondContact O-N 3.31Å; V681-Y698 VanDerWaalsContact O-N 3.08Å; F696-Y698 HydrophobicContact CE2-CD1 4.32Å; Y698-L700 HydrophobicContact CD2-CG 4.32Å; Y698-L700 HydrophobicContact CE2-CD1 4.16Å; Y698-L700 HydrophobicContact CE2-CG 4.24Å; Y698-V707 HydrophobicContact CD2-CG2 4.12Å; Y698-V707 HydrophobicContact CG-CG2 4.43Å; Y698-T708 CarbonylContact C-O 3.6Å; Y698-T708 VanDerWaalsContact CA-O 3.25Å; Y698-T708 WeakPolarHBondContact CA-O 3.32Å
699	E	83.5	Confident	81.6	Confident	31 Å²	31	55.5 Å²	55.5	15%	0.145	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.6	173.1	-169.1	178.6	160.8	0	0	109	R678 V707 T708 W710	R678-E699 WeakPolarHBondContact CB-OE1 3.31Å; R678-E699 WeakPolarHBondContact CD-OE1 3.27Å; E699-V707 WeakPolarHBondContact O-CA 2.99Å; E699-T708 PolarHBondContact N-O 3.4Å; E699-T708 PolarHBondContact O-N 3.19Å; E699-W710 HydrophobicContact CB-CH2 4.37Å; E699-W710 HydrophobicContact CB-CZ3 3.94Å
700	L	78.1	Confident	82.2	Confident	62 Å²	62	54.2 Å²	54.2	33%	0.325	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.6	174.6	-69.7	163.3	0	0	0	108.3	Y698 P702 V707	Y698-L700 HydrophobicContact CD2-CG 4.32Å; Y698-L700 HydrophobicContact CE2-CD1 4.16Å; Y698-L700 HydrophobicContact CE2-CG 4.24Å; L700-P702 WeakPolarHBondContact O-CD 3.35Å; L700-V707 HydrophobicContact CD2-CB 3.92Å; L700-V707 HydrophobicContact CD2-CG2 4.13Å
701	D	73.7	Confident	82.6	Confident	53 Å²	53	50.7 Å²	50.7	28%	0.283	28%	0.275	S	S	.	.			trans	-73	115.3	170.7	-176	-2.4	0	0	0	109.3	D703 T704 D705 N706	D701-D703 PolarHBondContact O-N 3.48Å; D701-D703 VanDerWaalsContact O-N 3.15Å; D701-D703 PolarHBondContact OD1-N 3.33Å; D701-T704 WeakPolarHBondContact CB-OG1 3.46Å; D701-T704 VanDerWaalsContact CG-OG1 3.27Å; D701-T704 PolarHBondContact O-N 3.06Å; D701-T704 PolarHBondContact OD2-OG1 2.98Å; D701-D705 WeakPolarHBondContact O-CA 2.98Å; D701-D705 PolarHBondContact O-N 3.1Å; D701-N706 PolarHBondContact N-O 2.71Å
702	P	64.3	Low	83	Confident	109 Å²	109	46.8 Å²	46.8	71%	0.708	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	-175.9	23.4	-33.2	0	0	0	114.1	L700	L700-P702 WeakPolarHBondContact O-CD 3.35Å
703	D	69.9	Low	83	Confident	151 Å²	151	50.7 Å²	50.7	81%	0.807	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-29.7	-176.2	-65.8	-39.5	0	0	0	113.3	D701	D701-D703 PolarHBondContact O-N 3.48Å; D701-D703 VanDerWaalsContact O-N 3.15Å; D701-D703 PolarHBondContact OD1-N 3.33Å
704	T	71	Confident	82.8	Confident	72 Å²	72	56.9 Å²	56.9	44%	0.442	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-6.4	-173.6	64.8	0	0	0	0	114.4	D701 N706	D701-T704 WeakPolarHBondContact CB-OG1 3.46Å; D701-T704 VanDerWaalsContact CG-OG1 3.27Å; D701-T704 PolarHBondContact O-N 3.06Å; D701-T704 PolarHBondContact OD2-OG1 2.98Å; T704-N706 PolarHBondContact O-N 3.35Å; T704-N706 WeakPolarHBondContact OG1-CB 3.14Å; T704-N706 PolarHBondContact OG1-ND2 3.43Å; T704-N706 VanDerWaalsContact OG1-ND2 3.15Å
705	D	66.5	Low	82.7	Confident	123 Å²	123	58.6 Å²	58.6	66%	0.658	30%	0.301	S	S	*	.			trans	52.6	15.5	-170.9	-152	26.6	0	0	0	113.4	D701	D701-D705 WeakPolarHBondContact O-CA 2.98Å; D701-D705 PolarHBondContact O-N 3.1Å
706	N	78.1	Confident	82.3	Confident	105 Å²	105	59.9 Å²	59.9	56%	0.561	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-74.9	136	174.6	-77.3	-39.7	0	0	0	109.6	D701 T704	D701-N706 PolarHBondContact N-O 2.71Å; T704-N706 PolarHBondContact O-N 3.35Å; T704-N706 WeakPolarHBondContact OG1-CB 3.14Å; T704-N706 PolarHBondContact OG1-ND2 3.43Å; T704-N706 VanDerWaalsContact OG1-ND2 3.15Å
707	V	84.5	Confident	81.8	Confident	20 Å²	20	63.6 Å²	63.6	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.6	176.5	65.6	0	0	0	0	110.5	Y641 F665 Y698 E699 L700 V709	Y641-V707 HydrophobicContact CE2-CG2 3.69Å; F665-V707 HydrophobicContact CB-CG1 3.72Å; F665-V707 HydrophobicContact CD1-CG1 3.41Å; F665-V707 VanDerWaalsContact CD1-CG1 3.41Å; F665-V707 HydrophobicContact CE1-CG1 4.38Å; F665-V707 HydrophobicContact CG-CG1 3.89Å; Y698-V707 HydrophobicContact CD2-CG2 4.12Å; Y698-V707 HydrophobicContact CG-CG2 4.43Å; E699-V707 WeakPolarHBondContact O-CA 2.99Å; L700-V707 HydrophobicContact CD2-CB 3.92Å; L700-V707 HydrophobicContact CD2-CG2 4.13Å; V707-V709 HydrophobicContact CG2-CG2 3.88Å
708	T	86.9	Confident	81.2	Confident	58 Å²	58	68.8 Å²	68.8	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128	171	-51.1	0	0	0	0	108.8	I668 Y698 E699 W710	I668-T708 HydrophobicContact CD1-CG2 3.88Å; Y698-T708 CarbonylContact C-O 3.6Å; Y698-T708 VanDerWaalsContact CA-O 3.25Å; Y698-T708 WeakPolarHBondContact CA-O 3.32Å; E699-T708 PolarHBondContact N-O 3.4Å; E699-T708 PolarHBondContact O-N 3.19Å; T708-W710 HydrophobicContact CG2-CD2 4.17Å; T708-W710 HydrophobicContact CG2-CE3 4.15Å; T708-W710 HydrophobicContact CG2-CH2 3.45Å; T708-W710 VanDerWaalsContact CG2-CH2 3.45Å; T708-W710 HydrophobicContact CG2-CZ2 3.39Å; T708-W710 HydrophobicContact CG2-CZ3 3.82Å
709	V	89.9	Confident	80.4	Confident	1 Å²	1	74 Å²	74	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.5	-176.9	-175.1	0	0	0	0	110.7	V645 F665 V667 I668 F696 L697 V707	V645-V709 HydrophobicContact CG2-CG1 3.95Å; F665-V709 HydrophobicContact CB-CG2 4.37Å; F665-V709 HydrophobicContact CD1-CG2 4.02Å; F665-V709 HydrophobicContact CD2-CB 3.72Å; F665-V709 HydrophobicContact CD2-CG1 4.37Å; F665-V709 HydrophobicContact CD2-CG2 3.4Å; F665-V709 HydrophobicContact CE1-CG2 4.19Å; F665-V709 HydrophobicContact CE2-CB 3.92Å; F665-V709 HydrophobicContact CE2-CG1 4.07Å; F665-V709 HydrophobicContact CE2-CG2 3.58Å; F665-V709 HydrophobicContact CG-CB 4.38Å; F665-V709 HydrophobicContact CG-CG2 3.64Å; F665-V709 HydrophobicContact CZ-CG2 3.98Å; V667-V709 HydrophobicContact CG1-CG1 4.23Å; I668-V709 PolarHBondContact N-O 3.41Å; F696-V709 HydrophobicContact CB-CG1 4.42Å; F696-V709 HydrophobicContact CD2-CG1 3.89Å; L697-V709 CarbonylContact O-C 3.34Å; L697-V709 WeakPolarHBondContact O-CA 3.03Å; V707-V709 HydrophobicContact CG2-CG2 3.88Å
710	W	91.1	Very high	79.8	Confident	49 Å²	49	78.7 Å²	78.7	19%	0.186	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134	173.2	-60.4	-93.1	0	0	0	110	I668 V670 L673 P674 F696 L697 E699 T708	I668-W710 HydrophobicContact CB-CG 4.45Å; I668-W710 CarbonylContact O-C 3.03Å; I668-W710 WeakPolarHBondContact O-CA 3.06Å; V670-W710 HydrophobicContact CG2-CB 4.09Å; L673-W710 HydrophobicContact CD2-CB 4.15Å; L673-W710 VanDerWaalsContact CD2-O 3.3Å; L673-W710 WeakPolarHBondContact CD2-O 3.3Å; P674-W710 HydrophobicContact CG-CB 4.34Å; P674-W710 HydrophobicContact CG-CD2 3.85Å; P674-W710 HydrophobicContact CG-CE3 4.35Å; P674-W710 HydrophobicContact CG-CG 3.86Å; F696-W710 CarbonylContact C-O 3.6Å; F696-W710 WeakPolarHBondContact CA-O 3.28Å; F696-W710 VanDerWaalsContact CB-O 3.24Å; F696-W710 WeakPolarHBondContact CB-O 3.44Å; L697-W710 HydrophobicContact CD2-CD2 4.45Å; L697-W710 HydrophobicContact CD2-CE3 3.45Å; L697-W710 VanDerWaalsContact CD2-CE3 3.45Å; L697-W710 HydrophobicContact CD2-CZ3 3.58Å; L697-W710 PolarHBondContact N-O 2.98Å; L697-W710 PolarHBondContact O-N 3.49Å; E699-W710 HydrophobicContact CB-CH2 4.37Å; E699-W710 HydrophobicContact CB-CZ3 3.94Å; T708-W710 HydrophobicContact CG2-CD2 4.17Å; T708-W710 HydrophobicContact CG2-CE3 4.15Å; T708-W710 HydrophobicContact CG2-CH2 3.45Å; T708-W710 VanDerWaalsContact CG2-CH2 3.45Å; T708-W710 HydrophobicContact CG2-CZ2 3.39Å; T708-W710 HydrophobicContact CG2-CZ3 3.82Å
711	V	91.6	Very high	79.4	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.3	179.6	63	0	0	0	0	110.2	V645 Q649 F650 V667 I668 P669 V670 F696	V645-V711 HydrophobicContact CG1-CB 4.06Å; V645-V711 HydrophobicContact CG1-CG2 3.54Å; Q649-V711 HydrophobicContact CB-CG1 3.94Å; Q649-V711 HydrophobicContact CB-CG2 4.25Å; Q649-V711 HydrophobicContact CG-CB 4.48Å; Q649-V711 HydrophobicContact CG-CG1 3.65Å; Q649-V711 HydrophobicContact CG-CG2 3.98Å; F650-V711 HydrophobicContact CE2-CG2 3.96Å; F650-V711 HydrophobicContact CZ-CG2 4.08Å; V667-V711 HydrophobicContact CB-CG1 3.9Å; V667-V711 HydrophobicContact CG2-CG1 4.14Å; I668-V711 PolarHBondContact O-N 2.8Å; P669-V711 CarbonylContact C-O 3.49Å; P669-V711 WeakPolarHBondContact CA-O 2.97Å; P669-V711 HydrophobicContact CB-CG1 4.49Å; V670-V711 WeakPolarHBondContact CG2-O 3.44Å; V670-V711 PolarHBondContact N-O 3.19Å; F696-V711 HydrophobicContact CB-CB 4.23Å; F696-V711 HydrophobicContact CB-CG2 4.3Å
712	R	89.7	Confident	79.4	Confident	45 Å²	45	83.8 Å²	83.8	17%	0.17	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.3	175.7	-159.1	178.9	65.7	-172	-0.4	110.2	F650 V670 D671 Y695 E714 D716	F650-R712 WeakPolarHBondContact CZ-O 3.44Å; V670-R712 CarbonylContact O-C 3.38Å; V670-R712 VanDerWaalsContact O-CA 3.26Å; V670-R712 WeakPolarHBondContact O-CA 3.38Å; D671-R712 VanDerWaalsContact O-CG 3.23Å; D671-R712 WeakPolarHBondContact O-CG 3.25Å; Y695-R712 VanDerWaalsContact CD2-NH2 3.33Å; Y695-R712 PolarHBondContact O-N 3.38Å; R712-E714 PolarHBondContact NE-O 2.85Å; R712-E714 PolarHBondContact NH2-O 2.95Å; R712-E714 PolarHBondContact O-N 3.02Å; R712-D716 IonicContact CZ-OD1 3.94Å; R712-D716 IonicContact CZ-OD2 2.96Å; R712-D716 IonicContact NH1-OD1 3.57Å; R712-D716 IonicContact NH1-OD2 2.84Å; R712-D716 PolarHBondContact NH1-OD2 2.89Å; R712-D716 IonicContact NH2-OD1 3Å; R712-D716 PolarHBondContact NH2-OD1 2.04Å; R712-D716 IonicContact NH2-OD2 3.47Å; R712-D716 PolarHBondContact NH2-OD2 2.84Å
713	K	86.9	Confident	80.1	Confident	89 Å²	89	83.3 Å²	83.3	39%	0.387	47%	0.471	S	S	.	.	S	Bend	trans	-61.5	-42.2	-176.2	-73.4	-173.6	-153.9	145.5	0	113.4	P669 V670 D671	P669-K713 HydrophobicContact CB-CD 4.4Å; P669-K713 HydrophobicContact CB-CG 3.74Å; V670-K713 PolarHBondContact O-N 2.8Å; D671-K713 VanDerWaalsContact OD1-CD 3.28Å; D671-K713 WeakPolarHBondContact OD1-CD 2.84Å; D671-K713 WeakPolarHBondContact OD1-CE 3.33Å; D671-K713 IonicContact OD1-NZ 2.72Å; D671-K713 PolarHBondContact OD1-NZ 3.23Å; D671-K713 IonicContact OD2-NZ 3Å; D671-K713 PolarHBondContact OD2-NZ 3.41Å
714	E	84.6	Confident	80.8	Confident	155 Å²	155	82.5 Å²	82.5	72%	0.724	47%	0.466	S	S	*	.	S	Bend	trans	-106.3	141.6	-175.8	-63.1	-172	175.3	0	0	112.4	R712	R712-E714 PolarHBondContact NE-O 2.85Å; R712-E714 PolarHBondContact NH2-O 2.95Å; R712-E714 PolarHBondContact O-N 3.02Å
715	K	86.8	Confident	81.4	Confident	38 Å²	38	82.5 Å²	82.5	17%	0.165	47%	0.473	C	S	.	.			trans	-89.6	148.4	175.6	-55.5	179.9	-178.5	174	0	110.7	F650 D687 D690 C692 T693 F694	F650-K715 HydrophobicContact CD1-CG 4.38Å; F650-K715 HydrophobicContact CE1-CG 3.91Å; F650-K715 HydrophobicContact CZ-CG 4.21Å; D687-K715 HydrophobicContact CB-CD 4.49Å; D687-K715 VanDerWaalsContact CG-NZ 3.3Å; D687-K715 WeakPolarHBondContact OD2-CE 3.34Å; D687-K715 IonicContact OD2-NZ 3.66Å; D687-K715 PolarHBondContact OD2-NZ 2.66Å; D690-K715 IonicContact OD1-NZ 2.86Å; D690-K715 PolarHBondContact OD1-NZ 2.64Å; D690-K715 VanDerWaalsContact OD2-CD 3.3Å; D690-K715 WeakPolarHBondContact OD2-CD 3.29Å; D690-K715 IonicContact OD2-NZ 3.96Å; D690-K715 PolarHBondContact OD2-NZ 2.99Å; C692-K715 HydrophobicContact CB-CB 3.59Å; C692-K715 HydrophobicContact CB-CD 3.89Å; C692-K715 HydrophobicContact CB-CG 4.42Å; T693-K715 WeakPolarHBondContact O-CA 3.35Å; F694-K715 HydrophobicContact CB-CG 4.29Å
716	D	83.5	Confident	82.2	Confident	83 Å²	83	82.7 Å²	82.7	44%	0.444	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-91.9	123.9	174.9	-70	-34.1	0	0	0	111.1	C692 T693 Y695 R712	C692-D716 WeakPolarHBondContact CA-O 3.43Å; T693-D716 PolarHBondContact N-O 3.15Å; T693-D716 PolarHBondContact O-N 3.32Å; Y695-D716 WeakPolarHBondContact CE2-OD2 3.43Å; R712-D716 IonicContact CZ-OD1 3.94Å; R712-D716 IonicContact CZ-OD2 2.96Å; R712-D716 IonicContact NH1-OD1 3.57Å; R712-D716 IonicContact NH1-OD2 2.84Å; R712-D716 PolarHBondContact NH1-OD2 2.89Å; R712-D716 IonicContact NH2-OD1 3Å; R712-D716 PolarHBondContact NH2-OD1 2.04Å; R712-D716 IonicContact NH2-OD2 3.47Å; R712-D716 PolarHBondContact NH2-OD2 2.84Å
717	C	80.9	Confident	82.6	Confident	78 Å²	78	81.6 Å²	81.6	53%	0.527	47%	0.47	S	S	.	.			trans	-122.2	144.8	-179.5	-46.5	0	0	0	0	111.5	C692	C692-C717 HydrophobicContact CB-CB 4.23Å; C692-C717 WeakPolarHBondContact CB-SG 3.49Å; C692-C717 WeakPolarHBondContact SG-CB 3.02Å; C692-C717 CovalentContact SG-SG 2.04Å; C692-C717 PolarHBondContact SG-SG 2.96Å
718	P	76.8	Confident	82.8	Confident	112 Å²	112	85.8 Å²	85.8	73%	0.727	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-74	146.8	-176.7	27.7	-33.6	0	0	0	114.5
719	P	71.1	Confident	82.8	Confident	119 Å²	119	85.6 Å²	85.6	77%	0.773	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-83.3	152.9	179.6	32.2	-34.7	0	0	0	114.5
720	P	69.3	Low	82.8	Confident	130 Å²	130	90 Å²	90	84%	0.844	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-80.2	148.7	-178.8	30.6	-34.2	0	0	0	115
721	V	70	Confident	82.9	Confident	122 Å²	122	92.4 Å²	92.4	74%	0.739	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-90.8	131.7	-175.5	-176.9	0	0	0	0	113.2	V723	V721-V723 HydrophobicContact CG1-CG2 4.39Å; V721-V723 PolarHBondContact O-N 3.13Å
722	P	73.8	Confident	82.8	Confident	100 Å²	100	95.4 Å²	95.4	65%	0.649	57%	0.567	S	S	*	*			trans	-91	81.1	-177.4	35	-34.7	0	0	0	114.2	L724	P722-L724 PolarHBondContact O-N 3.12Å
723	V	80.2	Confident	82.8	Confident	100 Å²	100	95 Å²	95	61%	0.606	58%	0.577	S	S	*	*	H	α-helix	trans	-66	-34.7	-174.1	-178.7	0	0	0	0	114.7	V721 A725 I726	V721-V723 HydrophobicContact CG1-CG2 4.39Å; V721-V723 PolarHBondContact O-N 3.13Å; V723-A725 PolarHBondContact O-N 3.25Å; V723-I726 PolarHBondContact O-N 2Å
724	L	83.2	Confident	83.1	Confident	134 Å²	134	96.4 Å²	96.4	70%	0.702	59%	0.587	S	S	*	*	H	α-helix	trans	-64	-37.3	-171.4	-170.1	77.7	0	0	0	113.8	P722 I726 V727 L728	P722-L724 PolarHBondContact O-N 3.12Å; L724-I726 VanDerWaalsContact C-N 3.31Å; L724-I726 PolarHBondContact O-N 3.41Å; L724-V727 PolarHBondContact O-N 2.8Å; L724-L728 HydrophobicContact CG-CD1 4.34Å; L724-L728 PolarHBondContact O-N 2.04Å
725	A	83.4	Confident	83.6	Confident	72 Å²	72	93.2 Å²	93.2	60%	0.595	58%	0.578	S	S	*	*	H	α-helix	trans	-65.5	-34.6	-174.4	0	0	0	0	0	112.7	V723	V723-A725 PolarHBondContact O-N 3.25Å
726	I	83.5	Confident	83.9	Confident	127 Å²	127	96.7 Å²	96.7	65%	0.651	60%	0.598	S	S	*	*	H	α-helix	trans	-69	-41.6	-178.4	-61.8	171.6	0	0	0	110.5	V723 L724	V723-I726 PolarHBondContact O-N 2Å; L724-I726 VanDerWaalsContact C-N 3.31Å; L724-I726 PolarHBondContact O-N 3.41Å
727	V	87.8	Confident	84.3	Confident	81 Å²	81	97.8 Å²	97.8	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-67.1	-42.8	-176.4	178.6	0	0	0	0	111.8	L724 G729 V730 I731	L724-V727 PolarHBondContact O-N 2.8Å; V727-G729 PolarHBondContact O-N 3.35Å; V727-V730 PolarHBondContact O-N 3.44Å; V727-I731 HydrophobicContact CG1-CD1 4.17Å; V727-I731 PolarHBondContact O-N 3.35Å
728	L	88.1	Confident	84.9	Confident	109 Å²	109	95.7 Å²	95.7	57%	0.571	59%	0.594	S	S	*	*	H	α-helix	trans	-66.3	-36.4	-177.7	-73	172	0	0	0	113.1	L724 V730 I731 A732	L724-L728 HydrophobicContact CG-CD1 4.34Å; L724-L728 PolarHBondContact O-N 2.04Å; L728-V730 VanDerWaalsContact C-N 3.34Å; L728-V730 PolarHBondContact O-N 2.97Å; L728-I731 PolarHBondContact O-N 2.88Å; L728-A732 PolarHBondContact O-N 2.04Å
729	G	87.3	Confident	85.7	Confident	53 Å²	53	95.1 Å²	95.1	55%	0.546	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-37.6	179.6	0	0	0	0	0	113.4	V727 G733	V727-G729 PolarHBondContact O-N 3.35Å; G729-G733 PolarHBondContact O-N 3.48Å
730	V	89.6	Confident	86.8	Confident	93 Å²	93	93.5 Å²	93.5	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-70.1	-41.9	-179.1	177.9	0	0	0	0	111.5	V727 L728 A732 G733 I734	V727-V730 PolarHBondContact O-N 3.44Å; L728-V730 VanDerWaalsContact C-N 3.34Å; L728-V730 PolarHBondContact O-N 2.97Å; V730-A732 PolarHBondContact O-N 3.02Å; V730-G733 PolarHBondContact O-N 2.97Å; V730-I734 HydrophobicContact CG1-CD1 4.36Å; V730-I734 PolarHBondContact O-N 2.8Å
731	I	92.2	Very high	87.9	Confident	100 Å²	100	92.5 Å²	92.5	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-44.3	-179.2	-65.2	171.7	0	0	0	111	V727 L728 G733 I734 V735	V727-I731 HydrophobicContact CG1-CD1 4.17Å; V727-I731 PolarHBondContact O-N 3.35Å; L728-I731 PolarHBondContact O-N 2.88Å; I731-G733 VanDerWaalsContact C-N 3.31Å; I731-G733 PolarHBondContact O-N 3.49Å; I731-I734 PolarHBondContact O-N 3.14Å; I731-V735 PolarHBondContact O-N 2.84Å
732	A	89.6	Confident	89.1	Confident	64 Å²	64	91.9 Å²	91.9	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-38.5	179.7	0	0	0	0	0	112.8	L728 V730 L736	L728-A732 PolarHBondContact O-N 2.04Å; V730-A732 PolarHBondContact O-N 3.02Å; A732-L736 PolarHBondContact O-N 3.18Å
733	G	91.2	Very high	90	Very high	35 Å²	35	92.8 Å²	92.8	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-41.3	178.8	0	0	0	0	0	113.5	G729 V730 I731 I737	G729-G733 PolarHBondContact O-N 3.48Å; V730-G733 PolarHBondContact O-N 2.97Å; I731-G733 VanDerWaalsContact C-N 3.31Å; I731-G733 PolarHBondContact O-N 3.49Å; G733-I737 WeakPolarHBondContact O-CG1 3.41Å; G733-I737 PolarHBondContact O-N 2.99Å
734	I	92.6	Very high	90.7	Very high	120 Å²	120	92.2 Å²	92.2	62%	0.615	54%	0.539	S	S	*	.	H	α-helix	trans	-67.2	-42.6	-178.7	-64.4	171.4	0	0	0	111.2	V730 I731 L736 I737 G738	V730-I734 HydrophobicContact CG1-CD1 4.36Å; V730-I734 PolarHBondContact O-N 2.8Å; I731-I734 PolarHBondContact O-N 3.14Å; I734-L736 VanDerWaalsContact C-N 3.35Å; I734-L736 PolarHBondContact O-N 2.82Å; I734-I737 PolarHBondContact O-N 3.41Å; I734-G738 PolarHBondContact O-N 2.94Å
735	V	93.8	Very high	91.2	Very high	87 Å²	87	93.8 Å²	93.8	53%	0.527	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-39.5	-179.4	175.8	0	0	0	0	111.6	I731 I737 G738 L739	I731-V735 PolarHBondContact O-N 2.84Å; V735-I737 PolarHBondContact O-N 3.14Å; V735-G738 PolarHBondContact O-N 2.98Å; V735-L739 HydrophobicContact CG1-CD1 4.32Å; V735-L739 PolarHBondContact O-N 2.7Å
736	L	93.1	Very high	91.7	Very high	111 Å²	111	96.6 Å²	96.6	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-63.4	-43.2	-179.5	-163.5	85.6	0	0	0	112.1	A732 I734 G738 L739 I740	A732-L736 PolarHBondContact O-N 3.18Å; I734-L736 VanDerWaalsContact C-N 3.35Å; I734-L736 PolarHBondContact O-N 2.82Å; L736-G738 VanDerWaalsContact C-N 3.34Å; L736-G738 PolarHBondContact O-N 2.91Å; L736-L739 PolarHBondContact O-N 3.29Å; L736-I740 HydrophobicContact CD2-CD1 4.49Å; L736-I740 HydrophobicContact CG-CD1 4.38Å; L736-I740 WeakPolarHBondContact O-CG1 2.99Å; L736-I740 PolarHBondContact O-N 2.81Å; L736-I740 VanDerWaalsContact O-N 3.15Å
737	I	92.7	Very high	92.2	Very high	106 Å²	106	95.4 Å²	95.4	54%	0.544	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-42	179.4	-66.7	169.7	0	0	0	110.6	G733 I734 V735 L739 I740 L741	G733-I737 WeakPolarHBondContact O-CG1 3.41Å; G733-I737 PolarHBondContact O-N 2.99Å; I734-I737 PolarHBondContact O-N 3.41Å; V735-I737 PolarHBondContact O-N 3.14Å; I737-L739 PolarHBondContact O-N 3.46Å; I737-I740 PolarHBondContact O-N 2.84Å; I737-L741 HydrophobicContact CG2-CD1 4.32Å; I737-L741 PolarHBondContact O-N 3.33Å
738	G	92.9	Very high	92.5	Very high	34 Å²	34	96.7 Å²	96.7	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-42.5	176.7	0	0	0	0	0	113.2	I734 V735 L736 L741 L742	I734-G738 PolarHBondContact O-N 2.94Å; V735-G738 PolarHBondContact O-N 2.98Å; L736-G738 VanDerWaalsContact C-N 3.34Å; L736-G738 PolarHBondContact O-N 2.91Å; G738-L741 PolarHBondContact O-N 2.03Å; G738-L742 PolarHBondContact O-N 3.08Å; G738-L742 VanDerWaalsContact O-N 3.16Å
739	L	94.5	Very high	92.8	Very high	100 Å²	100	93.7 Å²	93.7	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-40.3	178.1	-77.3	169.2	0	0	0	112.8	V735 L736 I737 L741 L742 L743	V735-L739 HydrophobicContact CG1-CD1 4.32Å; V735-L739 PolarHBondContact O-N 2.7Å; L736-L739 PolarHBondContact O-N 3.29Å; I737-L739 PolarHBondContact O-N 3.46Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L739-L741 PolarHBondContact O-N 3.19Å; L739-L742 PolarHBondContact O-N 3.49Å; L739-L743 WeakPolarHBondContact O-CG 3.23Å; L739-L743 PolarHBondContact O-N 3.36Å
740	I	93.3	Very high	93.1	Very high	85 Å²	85	96.4 Å²	96.4	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-43.4	177.9	-68.8	168.2	0	0	0	110.5	L736 I737 L742 L743 I744	L736-I740 HydrophobicContact CD2-CD1 4.49Å; L736-I740 HydrophobicContact CG-CD1 4.38Å; L736-I740 WeakPolarHBondContact O-CG1 2.99Å; L736-I740 PolarHBondContact O-N 2.81Å; L736-I740 VanDerWaalsContact O-N 3.15Å; I737-I740 PolarHBondContact O-N 2.84Å; I740-L742 PolarHBondContact O-N 3.42Å; I740-L743 PolarHBondContact O-N 2.04Å; I740-I744 HydrophobicContact CG2-CD1 3.9Å; I740-I744 WeakPolarHBondContact O-CG1 3.25Å; I740-I744 PolarHBondContact O-N 3.46Å
741	L	93.8	Very high	93.2	Very high	110 Å²	110	95.7 Å²	95.7	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-64	-39.9	178.2	-71	171.6	0	0	0	112.3	I737 G738 L739 I744 W745	I737-L741 HydrophobicContact CG2-CD1 4.32Å; I737-L741 PolarHBondContact O-N 3.33Å; G738-L741 PolarHBondContact O-N 2.03Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L739-L741 PolarHBondContact O-N 3.19Å; L741-I744 PolarHBondContact O-N 3.38Å; L741-W745 WeakPolarHBondContact O-CB 3.02Å; L741-W745 PolarHBondContact O-N 3.47Å
742	L	94.7	Very high	93.2	Very high	108 Å²	108	96.1 Å²	96.1	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-38.6	175.5	-73.2	174.6	0	0	0	112.5	G738 L739 I740 W745 K746	G738-L742 PolarHBondContact O-N 3.08Å; G738-L742 VanDerWaalsContact O-N 3.16Å; L739-L742 PolarHBondContact O-N 3.49Å; I740-L742 PolarHBondContact O-N 3.42Å; L742-W745 PolarHBondContact O-N 3.3Å; L742-K746 WeakPolarHBondContact O-CB 3.22Å; L742-K746 PolarHBondContact O-N 3.41Å
743	L	93.4	Very high	93.4	Very high	120 Å²	120	97.9 Å²	97.9	63%	0.628	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-42.9	176.5	-74.4	172.4	0	0	0	112.1	L739 I740 K746 L747	L739-L743 WeakPolarHBondContact O-CG 3.23Å; L739-L743 PolarHBondContact O-N 3.36Å; I740-L743 PolarHBondContact O-N 2.04Å; L743-K746 PolarHBondContact O-N 3.17Å; L743-L747 WeakPolarHBondContact O-CB 3.5Å; L743-L747 PolarHBondContact O-N 3.31Å
744	I	93.8	Very high	93.4	Very high	88 Å²	88	105.9 Å²	105.9	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176	-67.7	168.3	0	0	0	110.2	I740 L741 K746 L747 L748	I740-I744 HydrophobicContact CG2-CD1 3.9Å; I740-I744 WeakPolarHBondContact O-CG1 3.25Å; I740-I744 PolarHBondContact O-N 3.46Å; L741-I744 PolarHBondContact O-N 3.38Å; I744-K746 PolarHBondContact O-N 2.82Å; I744-L747 PolarHBondContact O-N 2.84Å; I744-L748 HydrophobicContact CG2-CD1 4.08Å; I744-L748 WeakPolarHBondContact O-CG 3.49Å; I744-L748 PolarHBondContact O-N 3.1Å
745	W	94.6	Very high	93.4	Very high	166 Å²	166	108.9 Å²	108.9	63%	0.629	53%	0.534	S	S	*	.	H	α-helix	trans	-61.7	-43.3	177.6	178	71.2	0	0	0	112.3	L741 L742 L747 L748 T749	L741-W745 WeakPolarHBondContact O-CB 3.02Å; L741-W745 PolarHBondContact O-N 3.47Å; L742-W745 PolarHBondContact O-N 3.3Å; W745-L747 VanDerWaalsContact C-N 3.34Å; W745-L747 PolarHBondContact O-N 2.98Å; W745-L748 PolarHBondContact O-N 3.48Å; W745-T749 HydrophobicContact CD2-CG2 4.43Å; W745-T749 HydrophobicContact CZ2-CG2 4.19Å; W745-T749 WeakPolarHBondContact O-CG2 3.5Å; W745-T749 PolarHBondContact O-N 2.89Å; W745-T749 PolarHBondContact O-OG1 2.03Å
746	K	93.8	Very high	93.3	Very high	131 Å²	131	108.9 Å²	108.9	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-63.4	-37.1	175.9	-173.8	163.1	-176.3	168.4	0	112.8	L742 L743 I744 T749 M750	L742-K746 WeakPolarHBondContact O-CB 3.22Å; L742-K746 PolarHBondContact O-N 3.41Å; L743-K746 PolarHBondContact O-N 3.17Å; I744-K746 PolarHBondContact O-N 2.82Å; K746-T749 VanDerWaalsContact CA-OG1 3.29Å; K746-T749 WeakPolarHBondContact CA-OG1 3.19Å; K746-T749 PolarHBondContact O-OG1 2.98Å; K746-M750 HydrophobicContact CG-CE 4.41Å; K746-M750 VanDerWaalsContact O-CB 3.27Å; K746-M750 WeakPolarHBondContact O-CB 3.5Å; K746-M750 PolarHBondContact O-N 3.42Å
747	L	93.4	Very high	93.1	Very high	103 Å²	103	110.6 Å²	110.6	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-66.4	-45	176.1	-177.4	67	0	0	0	111.4	L743 I744 W745 M750 I751	L743-L747 WeakPolarHBondContact O-CB 3.5Å; L743-L747 PolarHBondContact O-N 3.31Å; I744-L747 PolarHBondContact O-N 2.84Å; W745-L747 VanDerWaalsContact C-N 3.34Å; W745-L747 PolarHBondContact O-N 2.98Å; L747-M750 PolarHBondContact O-N 3.39Å; L747-I751 HydrophobicContact CD1-CD1 4.42Å; L747-I751 HydrophobicContact CG-CD1 4.19Å; L747-I751 WeakPolarHBondContact O-CG1 3.09Å; L747-I751 PolarHBondContact O-N 3.39Å; L747-I751 VanDerWaalsContact O-N 3.08Å
748	L	94.1	Very high	93	Very high	107 Å²	107	108.5 Å²	108.5	56%	0.56	53%	0.526	S	S	*	.	H	α-helix	trans	-65.4	-43.9	179.9	-70.3	174.1	0	0	0	112.3	I744 W745 I751 H752	I744-L748 HydrophobicContact CG2-CD1 4.08Å; I744-L748 WeakPolarHBondContact O-CG 3.49Å; I744-L748 PolarHBondContact O-N 3.1Å; W745-L748 PolarHBondContact O-N 3.48Å; L748-I751 PolarHBondContact O-N 3.12Å; L748-H752 PolarHBondContact O-N 3.23Å
749	T	93.7	Very high	92.8	Very high	46 Å²	46	113.6 Å²	113.6	28%	0.282	54%	0.535	S	S	.	.	H	α-helix	trans	-62.6	-44	175.9	43.2	0	0	0	0	111.3	W745 K746 I751 H752 D753	W745-T749 HydrophobicContact CD2-CG2 4.43Å; W745-T749 HydrophobicContact CZ2-CG2 4.19Å; W745-T749 WeakPolarHBondContact O-CG2 3.5Å; W745-T749 PolarHBondContact O-N 2.89Å; W745-T749 PolarHBondContact O-OG1 2.03Å; K746-T749 VanDerWaalsContact CA-OG1 3.29Å; K746-T749 WeakPolarHBondContact CA-OG1 3.19Å; K746-T749 PolarHBondContact O-OG1 2.98Å; T749-I751 VanDerWaalsContact C-N 3.35Å; T749-I751 PolarHBondContact O-N 2.8Å; T749-H752 WeakPolarHBondContact O-CB 3.37Å; T749-H752 PolarHBondContact O-N 2.9Å; T749-H752 VanDerWaalsContact O-N 3.1Å; T749-D753 PolarHBondContact O-N 3.44Å
750	M	93.7	Very high	92.4	Very high	110 Å²	110	114.4 Å²	114.4	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-38.3	176.8	-167.4	-173.6	-46.4	0	0	113.4	K746 L747 R754	K746-M750 HydrophobicContact CG-CE 4.41Å; K746-M750 VanDerWaalsContact O-CB 3.27Å; K746-M750 WeakPolarHBondContact O-CB 3.5Å; K746-M750 PolarHBondContact O-N 3.42Å; L747-M750 PolarHBondContact O-N 3.39Å; M750-R754 VanDerWaalsContact O-CB 3.28Å; M750-R754 WeakPolarHBondContact O-CB 3.27Å; M750-R754 PolarHBondContact O-N 3.04Å; M750-R754 VanDerWaalsContact O-N 3.08Å
751	I	92.7	Very high	92.1	Very high	79 Å²	79	112.8 Å²	112.8	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-39	174.9	-68.2	166.8	0	0	0	110.8	L747 L748 T749 R755	L747-I751 HydrophobicContact CD1-CD1 4.42Å; L747-I751 HydrophobicContact CG-CD1 4.19Å; L747-I751 WeakPolarHBondContact O-CG1 3.09Å; L747-I751 PolarHBondContact O-N 3.39Å; L747-I751 VanDerWaalsContact O-N 3.08Å; L748-I751 PolarHBondContact O-N 3.12Å; T749-I751 VanDerWaalsContact C-N 3.35Å; T749-I751 PolarHBondContact O-N 2.8Å; I751-R755 WeakPolarHBondContact O-CG 3.38Å; I751-R755 PolarHBondContact O-N 2.92Å
752	H	92.2	Very high	91.7	Very high	109 Å²	109	113.9 Å²	113.9	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-67.4	-50.6	178.1	-172.8	68.9	0	0	0	111.6	L748 T749 R754 R755 E756	L748-H752 PolarHBondContact O-N 3.23Å; T749-H752 WeakPolarHBondContact O-CB 3.37Å; T749-H752 PolarHBondContact O-N 2.9Å; T749-H752 VanDerWaalsContact O-N 3.1Å; H752-R754 VanDerWaalsContact C-N 3.28Å; H752-R754 PolarHBondContact O-N 3.1Å; H752-R755 WeakPolarHBondContact O-CB 3.2Å; H752-R755 PolarHBondContact O-N 2.75Å; H752-E756 PolarHBondContact O-N 3.09Å
753	D	92.8	Very high	91.2	Very high	101 Å²	101	113.5 Å²	113.5	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-38.1	178.6	-69.2	-13.2	0	0	0	111.6	T749 R755 E756 Y757	T749-D753 PolarHBondContact O-N 3.44Å; D753-R755 VanDerWaalsContact C-N 3.3Å; D753-R755 PolarHBondContact O-N 3.04Å; D753-E756 PolarHBondContact O-N 3.16Å; D753-Y757 VanDerWaalsContact O-CB 3.28Å; D753-Y757 WeakPolarHBondContact O-CB 3.48Å; D753-Y757 PolarHBondContact O-N 2.96Å
754	R	92.8	Very high	90.6	Very high	203 Å²	203	114.9 Å²	114.9	77%	0.766	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-34.8	175.8	-169.8	176.9	-179.7	-177	0.7	112.4	M750 H752 A758	M750-R754 VanDerWaalsContact O-CB 3.28Å; M750-R754 WeakPolarHBondContact O-CB 3.27Å; M750-R754 PolarHBondContact O-N 3.04Å; M750-R754 VanDerWaalsContact O-N 3.08Å; H752-R754 VanDerWaalsContact C-N 3.28Å; H752-R754 PolarHBondContact O-N 3.1Å; R754-A758 WeakPolarHBondContact O-CB 3.06Å; R754-A758 PolarHBondContact O-N 2.04Å
755	R	92.2	Very high	89.8	Confident	182 Å²	182	116.7 Å²	116.7	69%	0.687	53%	0.527	S	S	*	.	H	α-helix	trans	-72.4	-43.6	175.6	-73.7	175.8	178.2	-178.5	0.7	111.3	I751 H752 D753 A758 R759	I751-R755 WeakPolarHBondContact O-CG 3.38Å; I751-R755 PolarHBondContact O-N 2.92Å; H752-R755 WeakPolarHBondContact O-CB 3.2Å; H752-R755 PolarHBondContact O-N 2.75Å; D753-R755 VanDerWaalsContact C-N 3.3Å; D753-R755 PolarHBondContact O-N 3.04Å; R755-A758 PolarHBondContact O-N 2.96Å; R755-R759 PolarHBondContact O-N 2.8Å
756	E	90.6	Very high	88.7	Confident	88 Å²	88	115.3 Å²	115.3	41%	0.411	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-42.6	175.9	-78.7	-60.3	133.2	0	0	111.7	H752 D753 A758 R759 F760	H752-E756 PolarHBondContact O-N 3.09Å; D753-E756 PolarHBondContact O-N 3.16Å; E756-A758 PolarHBondContact O-N 3.25Å; E756-R759 WeakPolarHBondContact O-CB 3.37Å; E756-R759 PolarHBondContact O-N 3.41Å; E756-F760 WeakPolarHBondContact O-CB 3.48Å; E756-F760 PolarHBondContact O-N 2.8Å
757	Y	90.5	Very high	87	Confident	147 Å²	147	111.5 Å²	111.5	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-43.9	176	-175.6	-96	0	0	0	112.4	D753 R759 F760 E761	D753-Y757 VanDerWaalsContact O-CB 3.28Å; D753-Y757 WeakPolarHBondContact O-CB 3.48Å; D753-Y757 PolarHBondContact O-N 2.96Å; Y757-R759 VanDerWaalsContact C-N 3.28Å; Y757-R759 PolarHBondContact O-N 2.7Å; Y757-F760 PolarHBondContact O-N 3.15Å; Y757-E761 HydrophobicContact CD1-CG 4.36Å; Y757-E761 HydrophobicContact CE1-CG 3.79Å; Y757-E761 WeakPolarHBondContact O-CB 3.44Å; Y757-E761 PolarHBondContact O-N 3.3Å
758	A	89.8	Confident	84.9	Confident	61 Å²	61	115.6 Å²	115.6	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-34.4	176.7	0	0	0	0	0	112.4	R754 R755 E756 K762	R754-A758 WeakPolarHBondContact O-CB 3.06Å; R754-A758 PolarHBondContact O-N 2.04Å; R755-A758 PolarHBondContact O-N 2.96Å; E756-A758 PolarHBondContact O-N 3.25Å; A758-K762 PolarHBondContact O-N 2.9Å
759	R	88.6	Confident	82.7	Confident	142 Å²	142	121.4 Å²	121.4	54%	0.536	55%	0.55	S	S	.	*	H	α-helix	trans	-68.7	-46.9	174	-175.7	-176.2	177.5	172.2	4.6	111.4	R755 E756 Y757 K762 E763	R755-R759 PolarHBondContact O-N 2.8Å; E756-R759 WeakPolarHBondContact O-CB 3.37Å; E756-R759 PolarHBondContact O-N 3.41Å; Y757-R759 VanDerWaalsContact C-N 3.28Å; Y757-R759 PolarHBondContact O-N 2.7Å; R759-K762 WeakPolarHBondContact O-CB 3.47Å; R759-K762 PolarHBondContact O-N 2.99Å; R759-E763 IonicContact CZ-OE1 2.66Å; R759-E763 IonicContact NE-OE1 3.43Å; R759-E763 PolarHBondContact NE-OE1 2Å; R759-E763 VanDerWaalsContact NE-OE1 3.09Å; R759-E763 IonicContact NH2-OE1 3.01Å; R759-E763 WeakPolarHBondContact O-CG 3.33Å; R759-E763 PolarHBondContact O-N 2.59Å
760	F	86.9	Confident	80.4	Confident	116 Å²	116	126.3 Å²	126.3	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-43.6	177.7	177.2	-101.3	0	0	0	112.4	E756 Y757 K762 E763 R764	E756-F760 WeakPolarHBondContact O-CB 3.48Å; E756-F760 PolarHBondContact O-N 2.8Å; Y757-F760 PolarHBondContact O-N 3.15Å; F760-K762 VanDerWaalsContact C-N 3.3Å; F760-K762 PolarHBondContact O-N 3.1Å; F760-E763 PolarHBondContact O-N 2.89Å; F760-R764 WeakPolarHBondContact O-CB 2.99Å; F760-R764 PolarHBondContact O-N 3.47Å
761	E	86	Confident	78.3	Confident	52 Å²	52	127.6 Å²	127.6	24%	0.243	59%	0.589	C	S	.	*	H	α-helix	trans	-57	-43.9	173.4	-95.1	-80.4	122.9	0	0	111.7	Y757 R764 L765	Y757-E761 HydrophobicContact CD1-CG 4.36Å; Y757-E761 HydrophobicContact CE1-CG 3.79Å; Y757-E761 WeakPolarHBondContact O-CB 3.44Å; Y757-E761 PolarHBondContact O-N 3.3Å; E761-R764 PolarHBondContact O-N 3.42Å; E761-R764 IonicContact OE1-CZ 3.33Å; E761-R764 IonicContact OE1-NE 3.55Å; E761-R764 IonicContact OE1-NH2 2.64Å; E761-R764 PolarHBondContact OE1-NH2 3.33Å; E761-L765 WeakPolarHBondContact O-CG 3.46Å; E761-L765 PolarHBondContact O-N 3.11Å
762	K	85.1	Confident	76.3	Confident	133 Å²	133	126.5 Å²	126.5	58%	0.578	60%	0.597	S	S	*	*	H	α-helix	trans	-63.9	-43.9	177.4	-173	179.5	177.9	-178.2	0	111.8	A758 R759 F760 L765 M766	A758-K762 PolarHBondContact O-N 2.9Å; R759-K762 WeakPolarHBondContact O-CB 3.47Å; R759-K762 PolarHBondContact O-N 2.99Å; F760-K762 VanDerWaalsContact C-N 3.3Å; F760-K762 PolarHBondContact O-N 3.1Å; K762-L765 PolarHBondContact O-N 3.17Å; K762-M766 HydrophobicContact CD-CE 4.28Å; K762-M766 VanDerWaalsContact CE-CE 3.42Å; K762-M766 HydrophobicContact CG-CE 3.87Å; K762-M766 HydrophobicContact CG-SD 4.49Å; K762-M766 VanDerWaalsContact O-CG 3.3Å; K762-M766 WeakPolarHBondContact O-CG 3.42Å; K762-M766 PolarHBondContact O-N 3.41Å; K762-M766 VanDerWaalsContact O-N 3.12Å
763	E	84.3	Confident	74.2	Confident	99 Å²	99	129.6 Å²	129.6	46%	0.463	61%	0.612	S	S	.	*	H	α-helix	trans	-65.4	-40.8	176.6	-72.3	175	-171.7	0	0	111.5	R759 F760 L765 M766 A767	R759-E763 IonicContact CZ-OE1 2.66Å; R759-E763 IonicContact NE-OE1 3.43Å; R759-E763 PolarHBondContact NE-OE1 2Å; R759-E763 VanDerWaalsContact NE-OE1 3.09Å; R759-E763 IonicContact NH2-OE1 3.01Å; R759-E763 WeakPolarHBondContact O-CG 3.33Å; R759-E763 PolarHBondContact O-N 2.59Å; F760-E763 PolarHBondContact O-N 2.89Å; E763-L765 PolarHBondContact O-N 3.25Å; E763-M766 CarbonylContact O-C 3.59Å; E763-M766 PolarHBondContact O-N 3.1Å; E763-A767 WeakPolarHBondContact O-CB 3.49Å; E763-A767 PolarHBondContact O-N 3.01Å
764	R	80.1	Confident	72.6	Confident	149 Å²	149	129.4 Å²	129.4	56%	0.562	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-39.3	176.6	-167.8	178.6	71.5	153.1	2.5	112.7	F760 E761 M766 A767	F760-R764 WeakPolarHBondContact O-CB 2.99Å; F760-R764 PolarHBondContact O-N 3.47Å; E761-R764 PolarHBondContact O-N 3.42Å; E761-R764 IonicContact OE1-CZ 3.33Å; E761-R764 IonicContact OE1-NE 3.55Å; E761-R764 IonicContact OE1-NH2 2.64Å; E761-R764 PolarHBondContact OE1-NH2 3.33Å; R764-M766 VanDerWaalsContact C-N 3.31Å; R764-A767 PolarHBondContact O-N 3.36Å
765	L	77.3	Confident	71.3	Confident	127 Å²	127	125.8 Å²	125.8	67%	0.665	61%	0.613	S	S	*	*	H	α-helix	trans	-67.5	-33	174.9	-74.4	168.7	0	0	0	112.3	E761 K762 E763	E761-L765 WeakPolarHBondContact O-CG 3.46Å; E761-L765 PolarHBondContact O-N 3.11Å; K762-L765 PolarHBondContact O-N 3.17Å; E763-L765 PolarHBondContact O-N 3.25Å
766	M	72.2	Confident	70.1	Confident	137 Å²	137	123.9 Å²	123.9	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-77.3	-27	175	-70.3	-177.5	-177.4	0	0	112.5	K762 E763 R764 K768	K762-M766 HydrophobicContact CD-CE 4.28Å; K762-M766 VanDerWaalsContact CE-CE 3.42Å; K762-M766 HydrophobicContact CG-CE 3.87Å; K762-M766 HydrophobicContact CG-SD 4.49Å; K762-M766 VanDerWaalsContact O-CG 3.3Å; K762-M766 WeakPolarHBondContact O-CG 3.42Å; K762-M766 PolarHBondContact O-N 3.41Å; K762-M766 VanDerWaalsContact O-N 3.12Å; E763-M766 CarbonylContact O-C 3.59Å; E763-M766 PolarHBondContact O-N 3.1Å; R764-M766 VanDerWaalsContact C-N 3.31Å; M766-K768 PolarHBondContact O-N 2.74Å
767	A	58.6	Low	69.1	Low	50 Å²	50	126.5 Å²	126.5	41%	0.413	63%	0.626	S	S	.	*			trans	-79.3	56	172.1	0	0	0	0	0	111.8	E763 R764 W769	E763-A767 WeakPolarHBondContact O-CB 3.49Å; E763-A767 PolarHBondContact O-N 3.01Å; R764-A767 PolarHBondContact O-N 3.36Å; A767-W769 PolarHBondContact O-N 3.18Å
768	K	48.8	Very low	67.9	Low	189 Å²	189	127.6 Å²	127.6	82%	0.822	64%	0.636	S	S	*	*			trans	-71.9	105.1	147.9	-85.4	-175.1	176.7	179.8	0	105.8	M766 D770	M766-K768 PolarHBondContact O-N 2.74Å; K768-D770 PolarHBondContact O-N 3.08Å
769	W	47	Very low	67	Low	230 Å²	230	127.9 Å²	127.9	87%	0.871	63%	0.632	S	S	*	*			trans	-58.3	101.5	176.5	-63.7	79.2	0	0	0	109	A767 T771	A767-W769 PolarHBondContact O-N 3.18Å; W769-T771 PolarHBondContact O-N 2.84Å
770	D	46.9	Very low	66.2	Low	149 Å²	149	126.3 Å²	126.3	80%	0.797	65%	0.65	S	S	*	*			trans	-70.9	114.8	162.4	-154.5	-3.3	0	0	0	105.9	K768 G772	K768-D770 PolarHBondContact O-N 3.08Å; D770-G772 PolarHBondContact O-N 3.34Å
771	T	48.3	Very low	64.9	Low	136 Å²	136	126.3 Å²	126.3	83%	0.834	66%	0.66	S	S	*	*			trans	-73.8	42.6	175.2	48	0	0	0	0	110.7	W769	W769-T771 PolarHBondContact O-N 2.84Å
772	G	51.9	Low	64	Low	56 Å²	56	128.5 Å²	128.5	58%	0.577	68%	0.677	S	S	*	*			trans	-81.8	112.4	172.4	0	0	0	0	0	108.7	D770	D770-G772 PolarHBondContact O-N 3.34Å
773	E	48.2	Very low	63.2	Low	174 Å²	174	128.8 Å²	128.8	81%	0.813	69%	0.69	S	S	*	*			trans	-50.3	142	169	-70.6	179.1	150.2	0	0	110.5
774	N	59.5	Low	62.4	Low	97 Å²	97	132.2 Å²	132.2	52%	0.519	70%	0.704	S	S	.	*			trans	-53.8	123.9	-179.2	178.4	-10.8	0	0	0	110.4	I776 F777	N774-I776 PolarHBondContact O-N 2.79Å; N774-I776 WeakPolarHBondContact OD1-CG1 3.45Å; N774-I776 PolarHBondContact OD1-N 3.4Å; N774-F777 HydrophobicContact CB-CB 4.34Å; N774-F777 PolarHBondContact O-N 2.9Å
775	P	63.7	Low	61.2	Low	127 Å²	127	136.7 Å²	136.7	83%	0.825	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-10	-177.4	23.4	-33.6	0	0	0	114.8
776	I	68	Low	60.3	Low	143 Å²	143	135.5 Å²	135.5	73%	0.733	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-11.3	178	-42.3	175.4	0	0	0	111.8	N774 H778	N774-I776 PolarHBondContact O-N 2.79Å; N774-I776 WeakPolarHBondContact OD1-CG1 3.45Å; N774-I776 PolarHBondContact OD1-N 3.4Å; I776-H778 PolarHBondContact O-N 2.87Å
777	F	70.2	Confident	59.6	Low	142 Å²	142	135.2 Å²	135.2	62%	0.623	72%	0.723	S	S	*	*			trans	-88.6	107.5	-176.7	-175.9	-102.5	0	0	0	111.7	N774 P779	N774-F777 HydrophobicContact CB-CB 4.34Å; N774-F777 PolarHBondContact O-N 2.9Å; F777-P779 HydrophobicContact CE1-CB 3.92Å; F777-P779 HydrophobicContact CE1-CG 4.45Å; F777-P779 WeakPolarHBondContact O-CD 3.14Å
778	H	65.2	Low	59.5	Low	170 Å²	170	136.8 Å²	136.8	79%	0.787	74%	0.736	S	S	*	*			trans	-92.6	110.5	165.8	-72.2	-66.3	0	0	0	109.8	I776 A780	I776-H778 PolarHBondContact O-N 2.87Å; H778-A780 PolarHBondContact O-N 3.34Å
779	P	70.4	Confident	59.5	Low	67 Å²	67	135.6 Å²	135.6	44%	0.435	73%	0.727	S	S	.	*			trans	-64.4	136.3	171.9	22.9	-29.5	0	0	0	110.4	F777 T781	F777-P779 HydrophobicContact CE1-CB 3.92Å; F777-P779 HydrophobicContact CE1-CG 4.45Å; F777-P779 WeakPolarHBondContact O-CD 3.14Å; P779-T781 PolarHBondContact O-N 3.28Å
780	A	71.7	Confident	59.6	Low	110 Å²	110	128.4 Å²	128.4	91%	0.909	73%	0.725	S	S	*	*	S	Bend	trans	-65.6	-7.4	-178.7	0	0	0	0	0	114.3	H778	H778-A780 PolarHBondContact O-N 3.34Å
781	T	58.7	Low	59.4	Low	116 Å²	116	123.3 Å²	123.3	71%	0.712	71%	0.707	S	S	*	*			trans	-116.9	107.9	179.3	7.1	0	0	0	0	109.5	P779	P779-T781 PolarHBondContact O-N 3.28Å
782	T	67	Low	59.2	Low	97 Å²	97	125 Å²	125	60%	0.595	71%	0.711	S	S	*	*			trans	-95.6	123.2	172.2	44.7	0	0	0	0	109.1	F784	T782-F784 WeakPolarHBondContact OG1-CE2 3.39Å; T782-F784 WeakPolarHBondContact OG1-CZ 3.04Å
783	T	69.4	Low	58.5	Low	140 Å²	140	132 Å²	132	86%	0.859	72%	0.72	S	S	*	*			trans	-98.5	107.9	177.8	-46.4	0	0	0	0	108.5
784	F	67.4	Low	58.2	Low	171 Å²	171	135.3 Å²	135.3	75%	0.75	74%	0.743	S	S	*	*			trans	-92.1	119.8	176.6	-50.6	-86.4	0	0	0	109.3	T782 N786	T782-F784 WeakPolarHBondContact OG1-CE2 3.39Å; T782-F784 WeakPolarHBondContact OG1-CZ 3.04Å; F784-N786 PolarHBondContact O-N 3.44Å
785	R	53.9	Low	58.2	Low	242 Å²	242	137.3 Å²	137.3	91%	0.913	75%	0.754	S	S	*	*			trans	-74.7	105.7	166.1	-85.4	-173.9	175.5	-178.1	-0.1	108.1	P787	R785-P787 WeakPolarHBondContact O-CD 3.21Å
786	N	59.1	Low	57.9	Low	102 Å²	102	137.8 Å²	137.8	55%	0.545	75%	0.75	S	S	.	*			trans	-71.2	112.6	174.7	-176.5	-6.4	0	0	0	110	F784 A788 Y789	F784-N786 PolarHBondContact O-N 3.44Å; N786-A788 PolarHBondContact O-N 3.02Å; N786-A788 VanDerWaalsContact OD1-CB 3.31Å; N786-A788 WeakPolarHBondContact OD1-CB 3.49Å; N786-A788 PolarHBondContact OD1-N 3.36Å; N786-Y789 PolarHBondContact O-N 2.95Å
787	P	58.8	Low	57.3	Low	132 Å²	132	137.5 Å²	137.5	86%	0.857	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-12.7	-179.9	29.4	-33.8	0	0	0	113.4	R785 Y789	R785-P787 WeakPolarHBondContact O-CD 3.21Å; P787-Y789 VanDerWaalsContact C-N 3.28Å; P787-Y789 PolarHBondContact O-N 3.32Å
788	A	55.9	Low	56.6	Low	82 Å²	82	137.2 Å²	137.2	68%	0.678	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.4	176.5	0	0	0	0	0	113.7	N786 G790	N786-A788 PolarHBondContact O-N 3.02Å; N786-A788 VanDerWaalsContact OD1-CB 3.31Å; N786-A788 WeakPolarHBondContact OD1-CB 3.49Å; N786-A788 PolarHBondContact OD1-N 3.36Å; A788-G790 PolarHBondContact O-N 3.48Å; A788-G790 VanDerWaalsContact O-N 3.17Å
789	Y	48.8	Very low	56	Low	164 Å²	164	135.2 Å²	135.2	64%	0.643	76%	0.757	S	S	*	*			trans	-89.3	53.3	174.1	-126.4	-94	0	0	0	111.7	N786 P787 G791	N786-Y789 PolarHBondContact O-N 2.95Å; P787-Y789 VanDerWaalsContact C-N 3.28Å; P787-Y789 PolarHBondContact O-N 3.32Å; Y789-G791 VanDerWaalsContact C-N 3.33Å; Y789-G791 PolarHBondContact O-N 3.39Å
790	G	49.5	Very low	55.1	Low	79 Å²	79	139.7 Å²	139.7	81%	0.814	78%	0.778	S	S	*	*			trans	-80.6	86.4	151.9	0	0	0	0	0	107.6	A788	A788-G790 PolarHBondContact O-N 3.48Å; A788-G790 VanDerWaalsContact O-N 3.17Å
791	G	42.5	Very low	53.9	Low	42 Å²	42	141.9 Å²	141.9	43%	0.433	77%	0.769	S	S	.	*			trans	-146.8	78.6	-173.5	0	0	0	0	0	111.9	Y789 R793	Y789-G791 VanDerWaalsContact C-N 3.33Å; Y789-G791 PolarHBondContact O-N 3.39Å; G791-R793 PolarHBondContact O-N 3.28Å
792	N	43.9	Very low	53.5	Low	172 Å²	172	143.8 Å²	143.8	92%	0.92	77%	0.773	S	S	*	*			trans	-54.1	104.5	137.5	-86.3	-10.9	0	0	0	106.1
793	R	36.7	Very low	52.4	Low	203 Å²	203	147.8 Å²	147.8	77%	0.766	79%	0.788	S	S	*	*			trans	-70.3	125.3	160.8	-84.4	179.5	167.2	179.7	-4.2	107.2	G791	G791-R793 PolarHBondContact O-N 3.28Å
794	L	42.8	Very low	50.8	Low	244 Å²	244	148.5 Å²	148.5	100%	1.277	78%	0.782	S	S	*	*			trans	66	0	162.1	-69.8	158.9	0	0	0	116.8

Retrieved 794 of 794 residues in 159.4 ms (Link to these results)

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