A0A077Z6Z2_TRITR Loading...

Williams Beuren syndrome chromosomal region 16

AlphaFold DB , UniProt , Accession A0A077Z6Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 526 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	33.3	Very low	28.3	Very low	245 Å²	245	160.9 Å²	160.9	100%	1.207	86%	0.855	S	S	*	*				0	122.2	0	-80.2	171.8	174.6	0	0	106.9
2	H	29.7	Very low	28.1	Very low	202 Å²	202	157.8 Å²	157.8	94%	0.935	85%	0.846	S	S	*	*			trans	-58.1	147.2	-175.8	-86.1	-77.6	0	0	0	112.1
3	G	26.2	Very low	27.9	Very low	69 Å²	69	153.5 Å²	153.5	71%	0.711	83%	0.829	S	S	*	*			trans	-85.6	-179	-167.7	0	0	0	0	0	115.8
4	T	31.8	Very low	27.7	Very low	135 Å²	135	160.5 Å²	160.5	83%	0.828	84%	0.837	S	S	*	*			trans	-157.2	110.8	156.8	40	0	0	0	0	107.2	E6	T4-E6 PolarHBondContact O-N 2.96Å
5	D	27.1	Very low	27.6	Very low	170 Å²	170	155.7 Å²	155.7	91%	0.909	82%	0.823	S	S	*	*			trans	-59.7	107.7	155.3	-82	-46.6	0	0	0	108.3
6	E	27	Very low	27.7	Very low	176 Å²	176	156.4 Å²	156.4	82%	0.822	82%	0.82	S	S	*	*			trans	-166.6	96.4	163.8	-114.5	178	-154.5	0	0	109.1	T4	T4-E6 PolarHBondContact O-N 2.96Å
7	Q	31.8	Very low	27.6	Very low	167 Å²	167	154 Å²	154	78%	0.78	81%	0.813	S	S	*	*			trans	-177.6	71.3	140.7	-98.4	169.3	32.5	0	0	109.8	L9	Q7-L9 HydrophobicContact CB-CD1 4.23Å; Q7-L9 HydrophobicContact CG-CD1 3.96Å; Q7-L9 PolarHBondContact O-N 3.5Å
8	N	26	Very low	27.6	Very low	163 Å²	163	153.1 Å²	153.1	87%	0.872	80%	0.804	S	S	*	*			trans	-66.7	78	147.1	-81.7	-37	0	0	0	107.4	F10	N8-F10 PolarHBondContact O-N 3.23Å
9	L	28.8	Very low	27.7	Very low	135 Å²	135	149.7 Å²	149.7	71%	0.707	79%	0.79	S	S	*	*			trans	-70.3	102	169.1	-111.9	136.4	0	0	0	107	Q7 C11	Q7-L9 HydrophobicContact CB-CD1 4.23Å; Q7-L9 HydrophobicContact CG-CD1 3.96Å; Q7-L9 PolarHBondContact O-N 3.5Å; L9-C11 PolarHBondContact O-N 2.72Å
10	F	26	Very low	28	Very low	190 Å²	190	147.9 Å²	147.9	83%	0.833	78%	0.78	S	S	*	*			trans	-27.9	114.9	172.2	-82.1	-102.5	0	0	0	112.2	N8 V12	N8-F10 PolarHBondContact O-N 3.23Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.16Å
11	C	23.3	Very low	28.4	Very low	118 Å²	118	143.7 Å²	143.7	80%	0.797	76%	0.762	S	S	*	*			trans	-56	100.4	158	-66.2	0	0	0	0	107.8	L9 T13	L9-C11 PolarHBondContact O-N 2.72Å; C11-T13 VanDerWaalsContact C-N 3.26Å; C11-T13 PolarHBondContact O-N 3.23Å
12	V	26.3	Very low	28.9	Very low	124 Å²	124	137 Å²	137	75%	0.752	73%	0.731	S	S	*	*			trans	-62.3	98.7	159.3	178.7	0	0	0	0	105.3	F10 R14	F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.16Å; V12-R14 PolarHBondContact O-N 3.21Å
13	T	25.5	Very low	29.5	Very low	101 Å²	101	128.1 Å²	128.1	62%	0.62	69%	0.691	S	S	*	*			trans	-55.9	123	175.9	47.2	0	0	0	0	107.7	C11 S15	C11-T13 VanDerWaalsContact C-N 3.26Å; C11-T13 PolarHBondContact O-N 3.23Å; T13-S15 PolarHBondContact O-N 2.98Å
14	R	24.5	Very low	30.2	Very low	252 Å²	252	128.9 Å²	128.9	95%	0.951	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	31.5	-176.3	-135.4	179.1	-169.7	-178	3	114	V12	V12-R14 PolarHBondContact O-N 3.21Å
15	S	27	Very low	30.7	Very low	89 Å²	89	124.1 Å²	124.1	62%	0.622	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-1.8	-177.8	56	0	0	0	0	114.4	T13 V17	T13-S15 PolarHBondContact O-N 2.98Å; S15-V17 VanDerWaalsContact C-N 3.28Å; S15-V17 PolarHBondContact O-N 3.06Å
16	E	28.3	Very low	31.7	Very low	167 Å²	167	116.7 Å²	116.7	78%	0.78	61%	0.606	S	S	*	*	S	Bend	trans	-81.5	2	179.3	-71.6	-164.8	147.6	0	0	115.2
17	V	26.7	Very low	32.7	Very low	115 Å²	115	108.3 Å²	108.3	70%	0.697	57%	0.567	S	S	*	*			trans	-114.2	65.3	170.8	-163.3	0	0	0	0	109.2	S15 T19	S15-V17 VanDerWaalsContact C-N 3.28Å; S15-V17 PolarHBondContact O-N 3.06Å; V17-T19 VanDerWaalsContact C-N 3.26Å; V17-T19 HydrophobicContact CG1-CG2 3.92Å; V17-T19 PolarHBondContact O-N 3.04Å; V17-T19 VanDerWaalsContact O-N 3.13Å
18	Q	27.8	Very low	33.5	Very low	137 Å²	137	105 Å²	105	64%	0.64	55%	0.551	S	S	*	*			trans	-63.2	107.7	140.4	-82.9	-174.3	-10.1	0	0	104.4	L20	Q18-L20 PolarHBondContact O-N 3.11Å
19	T	28.8	Very low	34.9	Very low	89 Å²	89	103.5 Å²	103.5	55%	0.546	53%	0.533	S	S	.	.			trans	-57.6	93.2	169.5	37.8	0	0	0	0	106.9	V17	V17-T19 VanDerWaalsContact C-N 3.26Å; V17-T19 HydrophobicContact CG1-CG2 3.92Å; V17-T19 PolarHBondContact O-N 3.04Å; V17-T19 VanDerWaalsContact O-N 3.13Å
20	L	34.4	Very low	36.1	Very low	113 Å²	113	97.6 Å²	97.6	59%	0.592	50%	0.502	S	S	*	.			trans	-49.8	127.9	160.2	-73.3	168.8	0	0	0	104.9	Q18 D22 Y204	Q18-L20 PolarHBondContact O-N 3.11Å; L20-D22 PolarHBondContact O-N 2.9Å; L20-Y204 HydrophobicContact CD1-CD2 4.27Å
21	P	36.4	Very low	37.5	Very low	61 Å²	61	89.5 Å²	89.5	40%	0.396	47%	0.467	S	S	.	.			trans	-54.2	144.7	-179.4	3.3	-2.1	0	0	0	108.3	V23 V26	P21-V23 PolarHBondContact O-N 3.06Å; P21-V23 VanDerWaalsContact O-N 3.09Å; P21-V26 HydrophobicContact CB-CG2 3.49Å; P21-V26 VanDerWaalsContact CB-CG2 3.49Å; P21-V26 HydrophobicContact CG-CG2 3.51Å
22	D	42.9	Very low	38.8	Very low	104 Å²	104	88.5 Å²	88.5	56%	0.556	45%	0.45	S	S	*	.			trans	-40.2	123	-178.4	174.1	3.8	0	0	0	109.3	L20 Y24 S25 V26	L20-D22 PolarHBondContact O-N 2.9Å; D22-Y24 PolarHBondContact O-N 3.17Å; D22-Y24 PolarHBondContact OD1-N 2.91Å; D22-S25 CarbonylContact O-C 3.59Å; D22-S25 VanDerWaalsContact O-CA 3.23Å; D22-S25 WeakPolarHBondContact O-CA 3.45Å; D22-S25 VanDerWaalsContact O-CB 3.24Å; D22-S25 WeakPolarHBondContact O-CB 3.43Å; D22-S25 PolarHBondContact O-N 2.91Å; D22-S25 PolarHBondContact O-OG 3.29Å; D22-V26 PolarHBondContact O-N 3.3Å
23	V	43.4	Very low	40	Very low	15 Å²	15	84.5 Å²	84.5	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-58.5	-41	-168.5	179.5	0	0	0	0	110.3	P21 S25 V26 Q27 A185 Q203 Y204	P21-V23 PolarHBondContact O-N 3.06Å; P21-V23 VanDerWaalsContact O-N 3.09Å; V23-S25 VanDerWaalsContact C-N 3.34Å; V23-V26 PolarHBondContact O-N 3.23Å; V23-Q27 WeakPolarHBondContact O-CB 3.32Å; V23-Q27 PolarHBondContact O-N 2.92Å; V23-A185 HydrophobicContact CG1-CB 3.48Å; V23-A185 VanDerWaalsContact CG1-CB 3.48Å; V23-Q203 HydrophobicContact CG1-CB 4.03Å; V23-Q203 HydrophobicContact CG2-CB 4.29Å; V23-Y204 WeakPolarHBondContact CA-OH 3.48Å; V23-Y204 HydrophobicContact CB-CE2 3.96Å; V23-Y204 HydrophobicContact CG1-CE2 3.75Å; V23-Y204 HydrophobicContact CG2-CD2 4.18Å; V23-Y204 HydrophobicContact CG2-CE2 3.38Å
24	Y	39.8	Very low	41.2	Very low	85 Å²	85	80.3 Å²	80.3	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-61.8	-42.7	171.1	-74.6	-75.4	0	0	0	110.4	D22 V26 Q28 T264	D22-Y24 PolarHBondContact O-N 3.17Å; D22-Y24 PolarHBondContact OD1-N 2.91Å; Y24-V26 PolarHBondContact O-N 2.7Å; Y24-Q28 VanDerWaalsContact O-CA 3.26Å; Y24-Q28 WeakPolarHBondContact O-CA 3.4Å; Y24-Q28 WeakPolarHBondContact O-CB 3.4Å; Y24-Q28 PolarHBondContact O-N 3.04Å; Y24-T264 HydrophobicContact CE2-CG2 4.31Å; Y24-T264 WeakPolarHBondContact OH-CG2 3.25Å
25	S	42.1	Very low	42.2	Very low	36 Å²	36	72 Å²	72	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-32.1	176.5	88	0	0	0	0	115	D22 V23 R29	D22-S25 CarbonylContact O-C 3.59Å; D22-S25 VanDerWaalsContact O-CA 3.23Å; D22-S25 WeakPolarHBondContact O-CA 3.45Å; D22-S25 VanDerWaalsContact O-CB 3.24Å; D22-S25 WeakPolarHBondContact O-CB 3.43Å; D22-S25 PolarHBondContact O-N 2.91Å; D22-S25 PolarHBondContact O-OG 3.29Å; V23-S25 VanDerWaalsContact C-N 3.34Å; S25-R29 WeakPolarHBondContact O-CB 3.4Å; S25-R29 WeakPolarHBondContact O-CG 3.34Å; S25-R29 PolarHBondContact O-N 3.22Å; S25-R29 PolarHBondContact O-NE 3.13Å; S25-R29 VanDerWaalsContact O-NE 3.12Å; S25-R29 PolarHBondContact OG-NH2 3.05Å
26	V	48	Very low	43	Very low	13 Å²	13	71.8 Å²	71.8	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-80.7	-46.6	179.8	178.8	0	0	0	0	110.1	P21 D22 V23 Y24 R29 H30 T119	P21-V26 HydrophobicContact CB-CG2 3.49Å; P21-V26 VanDerWaalsContact CB-CG2 3.49Å; P21-V26 HydrophobicContact CG-CG2 3.51Å; D22-V26 PolarHBondContact O-N 3.3Å; V23-V26 PolarHBondContact O-N 3.23Å; Y24-V26 PolarHBondContact O-N 2.7Å; V26-R29 CarbonylContact O-C 3.38Å; V26-R29 WeakPolarHBondContact O-CB 3.4Å; V26-R29 PolarHBondContact O-N 3.13Å; V26-H30 PolarHBondContact O-N 2.85Å; V26-H30 PolarHBondContact O-ND1 2.76Å; V26-T119 HydrophobicContact CG1-CG2 4.04Å
27	Q	49.1	Very low	44	Very low	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-40.3	176.5	-169.8	174	13.2	0	0	110.5	V23 R29 H30 F31 V183 Y186	V23-Q27 WeakPolarHBondContact O-CB 3.32Å; V23-Q27 PolarHBondContact O-N 2.92Å; Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 3.09Å; Q27-H30 CarbonylContact O-C 3.59Å; Q27-H30 WeakPolarHBondContact O-CA 3.43Å; Q27-H30 WeakPolarHBondContact O-CB 3.38Å; Q27-H30 PolarHBondContact O-N 3.03Å; Q27-F31 HydrophobicContact CG-CD1 3.98Å; Q27-F31 HydrophobicContact CG-CD2 4.16Å; Q27-F31 HydrophobicContact CG-CE1 3.43Å; Q27-F31 VanDerWaalsContact CG-CE1 3.43Å; Q27-F31 HydrophobicContact CG-CE2 3.67Å; Q27-F31 HydrophobicContact CG-CG 4.33Å; Q27-F31 HydrophobicContact CG-CZ 3.3Å; Q27-F31 WeakPolarHBondContact O-CB 3.32Å; Q27-F31 VanDerWaalsContact O-CD1 3.28Å; Q27-F31 WeakPolarHBondContact O-CD1 3.46Å; Q27-F31 WeakPolarHBondContact O-CG 3.22Å; Q27-F31 PolarHBondContact O-N 3.47Å; Q27-V183 HydrophobicContact CB-CG1 4.17Å; Q27-V183 HydrophobicContact CG-CG1 3.93Å; Q27-Y186 VanDerWaalsContact OE1-CE2 3.31Å
28	Q	49	Very low	44.9	Very low	98 Å²	98	60.3 Å²	60.3	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-32.5	170.1	-170.5	162.3	-23.4	0	0	111.2	Y24 F31 E32	Y24-Q28 VanDerWaalsContact O-CA 3.26Å; Y24-Q28 WeakPolarHBondContact O-CA 3.4Å; Y24-Q28 WeakPolarHBondContact O-CB 3.4Å; Y24-Q28 PolarHBondContact O-N 3.04Å; Q28-F31 PolarHBondContact O-N 3.45Å; Q28-E32 HydrophobicContact CG-CG 3.84Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.33Å; Q28-E32 PolarHBondContact NE2-OE1 3.14Å; Q28-E32 WeakPolarHBondContact O-CA 3.33Å; Q28-E32 WeakPolarHBondContact O-CB 3.44Å; Q28-E32 WeakPolarHBondContact O-CG 3.34Å; Q28-E32 PolarHBondContact O-N 3.25Å
29	R	55.3	Low	45.5	Very low	131 Å²	131	59.7 Å²	59.7	49%	0.494	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-38.7	167.2	-91.2	179.5	-92.9	-175.2	-10	112.6	S25 V26 Q27 Y33	S25-R29 WeakPolarHBondContact O-CB 3.4Å; S25-R29 WeakPolarHBondContact O-CG 3.34Å; S25-R29 PolarHBondContact O-N 3.22Å; S25-R29 PolarHBondContact O-NE 3.13Å; S25-R29 VanDerWaalsContact O-NE 3.12Å; S25-R29 PolarHBondContact OG-NH2 3.05Å; V26-R29 CarbonylContact O-C 3.38Å; V26-R29 WeakPolarHBondContact O-CB 3.4Å; V26-R29 PolarHBondContact O-N 3.13Å; Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 3.09Å; R29-Y33 WeakPolarHBondContact O-CA 3.45Å; R29-Y33 WeakPolarHBondContact O-CB 3.42Å; R29-Y33 PolarHBondContact O-N 2.97Å
30	H	53.1	Low	45.9	Very low	11 Å²	11	60.3 Å²	60.3	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-71	-32.6	174.1	-72.4	72.1	0	0	0	112.1	V26 Q27 A34 Y116 V161	V26-H30 PolarHBondContact O-N 2.85Å; V26-H30 PolarHBondContact O-ND1 2.76Å; Q27-H30 CarbonylContact O-C 3.59Å; Q27-H30 WeakPolarHBondContact O-CA 3.43Å; Q27-H30 WeakPolarHBondContact O-CB 3.38Å; Q27-H30 PolarHBondContact O-N 3.03Å; H30-A34 WeakPolarHBondContact O-CB 3.38Å; H30-A34 PolarHBondContact O-N 3.4Å; H30-Y116 AromaticContact CE1-CE1 3.51Å; H30-Y116 AromaticContact NE2-CD1 3.48Å; H30-Y116 WeakPolarHBondContact NE2-CD1 3.12Å; H30-Y116 AromaticContact NE2-CE1 3.42Å; H30-Y116 WeakPolarHBondContact NE2-CE1 3.26Å; H30-V161 HydrophobicContact CB-CG1 3.42Å; H30-V161 VanDerWaalsContact CB-CG1 3.42Å
31	F	56.2	Low	46.2	Very low	20 Å²	20	57.6 Å²	57.6	9%	0.088	29%	0.287	C	S	.	.	H	α-helix	trans	-74.6	-51.5	177.3	-66.4	-13.7	0	0	0	111.7	Q27 Q28 Y33 A34 D35 V161 Y186 K230 A231	Q27-F31 HydrophobicContact CG-CD1 3.98Å; Q27-F31 HydrophobicContact CG-CD2 4.16Å; Q27-F31 HydrophobicContact CG-CE1 3.43Å; Q27-F31 VanDerWaalsContact CG-CE1 3.43Å; Q27-F31 HydrophobicContact CG-CE2 3.67Å; Q27-F31 HydrophobicContact CG-CG 4.33Å; Q27-F31 HydrophobicContact CG-CZ 3.3Å; Q27-F31 WeakPolarHBondContact O-CB 3.32Å; Q27-F31 VanDerWaalsContact O-CD1 3.28Å; Q27-F31 WeakPolarHBondContact O-CD1 3.46Å; Q27-F31 WeakPolarHBondContact O-CG 3.22Å; Q27-F31 PolarHBondContact O-N 3.47Å; Q28-F31 PolarHBondContact O-N 3.45Å; F31-Y33 VanDerWaalsContact C-N 3.3Å; F31-A34 CarbonylContact O-C 3.56Å; F31-A34 WeakPolarHBondContact O-CB 3.32Å; F31-A34 PolarHBondContact O-N 3.45Å; F31-D35 WeakPolarHBondContact O-CB 3.46Å; F31-D35 PolarHBondContact O-N 3.09Å; F31-V161 HydrophobicContact CD1-CG1 4Å; F31-V161 HydrophobicContact CE1-CB 4.37Å; F31-V161 HydrophobicContact CE1-CG1 4.23Å; F31-Y186 AromaticContact CE2-CE2 3.78Å; F31-Y186 HydrophobicContact CE2-CE2 3.78Å; F31-Y186 AromaticContact CZ-CE2 3.94Å; F31-Y186 HydrophobicContact CZ-CE2 3.94Å; F31-K230 HydrophobicContact CD1-CD 3.95Å; F31-K230 HydrophobicContact CD1-CG 3.45Å; F31-K230 VanDerWaalsContact CD1-CG 3.45Å; F31-K230 VanDerWaalsContact CD2-CE 3.46Å; F31-K230 HydrophobicContact CE1-CB 4.45Å; F31-K230 HydrophobicContact CE1-CD 4.04Å; F31-K230 HydrophobicContact CE1-CG 3.2Å; F31-K230 WeakPolarHBondContact CE1-O 3.24Å; F31-K230 HydrophobicContact CG-CD 4.27Å; F31-K230 HydrophobicContact CG-CG 4.24Å; F31-K230 HydrophobicContact CZ-CD 4.41Å; F31-K230 HydrophobicContact CZ-CG 3.79Å; F31-A231 HydrophobicContact CE1-CB 4.46Å; F31-A231 HydrophobicContact CZ-CB 3.79Å
32	E	50	Low	46.4	Very low	97 Å²	97	57 Å²	57	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-47.7	169.4	-75	174.6	-173.3	0	0	107.7	Q28 A34 D35 L36	Q28-E32 HydrophobicContact CG-CG 3.84Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.33Å; Q28-E32 PolarHBondContact NE2-OE1 3.14Å; Q28-E32 WeakPolarHBondContact O-CA 3.33Å; Q28-E32 WeakPolarHBondContact O-CB 3.44Å; Q28-E32 WeakPolarHBondContact O-CG 3.34Å; Q28-E32 PolarHBondContact O-N 3.25Å; E32-A34 PolarHBondContact O-N 2.98Å; E32-D35 CarbonylContact O-C 3.57Å; E32-D35 PolarHBondContact O-N 2.9Å; E32-L36 VanDerWaalsContact O-CA 3.25Å; E32-L36 WeakPolarHBondContact O-CA 3.5Å; E32-L36 WeakPolarHBondContact O-CB 3.41Å; E32-L36 PolarHBondContact O-N 3.32Å
33	Y	51.1	Low	46	Very low	40 Å²	40	59.9 Å²	59.9	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-46	174.7	179.7	-94	0	0	0	111.8	R29 F31 D35 V37 R466 E468 F469	R29-Y33 WeakPolarHBondContact O-CA 3.45Å; R29-Y33 WeakPolarHBondContact O-CB 3.42Å; R29-Y33 PolarHBondContact O-N 2.97Å; F31-Y33 VanDerWaalsContact C-N 3.3Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.3Å; Y33-V37 HydrophobicContact CD1-CG2 4.16Å; Y33-V37 HydrophobicContact CD2-CG2 4.34Å; Y33-V37 HydrophobicContact CE1-CG2 4.29Å; Y33-V37 HydrophobicContact CE2-CG2 4.47Å; Y33-V37 HydrophobicContact CG-CG2 4.23Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.13Å; Y33-V37 PolarHBondContact O-N 3.44Å; Y33-R466 PolarHBondContact OH-NE 3.44Å; Y33-R466 VanDerWaalsContact OH-NE 3.09Å; Y33-R466 PolarHBondContact OH-NH1 3.11Å; Y33-R466 PolarHBondContact OH-NH2 3.14Å; Y33-E468 PolarHBondContact OH-OE2 3.31Å; Y33-F469 HydrophobicContact CE1-CE2 4.13Å; Y33-F469 HydrophobicContact CE2-CE2 4.33Å; Y33-F469 HydrophobicContact CE2-CZ 4.45Å; Y33-F469 AromaticContact CZ-CE2 3.71Å; Y33-F469 WeakPolarHBondContact OH-CE2 3.24Å
34	A	50.8	Low	45.5	Very low	12 Å²	12	64.4 Å²	64.4	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-39.8	176.6	0	0	0	0	0	113.6	H30 F31 E32 G38 M286 L449	H30-A34 WeakPolarHBondContact O-CB 3.38Å; H30-A34 PolarHBondContact O-N 3.4Å; F31-A34 CarbonylContact O-C 3.56Å; F31-A34 WeakPolarHBondContact O-CB 3.32Å; F31-A34 PolarHBondContact O-N 3.45Å; E32-A34 PolarHBondContact O-N 2.98Å; A34-G38 PolarHBondContact O-N 3.44Å; A34-M286 HydrophobicContact CB-CE 3.43Å; A34-M286 VanDerWaalsContact CB-CE 3.43Å; A34-L449 HydrophobicContact CB-CD1 4.44Å
35	D	46.4	Very low	45.7	Very low	77 Å²	77	65.5 Å²	65.5	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-79.2	-47.5	-178.3	-175.3	46.1	0	0	0	112.1	F31 E32 Y33 V37 G38 K39	F31-D35 WeakPolarHBondContact O-CB 3.46Å; F31-D35 PolarHBondContact O-N 3.09Å; E32-D35 CarbonylContact O-C 3.57Å; E32-D35 PolarHBondContact O-N 2.9Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.3Å; D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 2.97Å; D35-G38 CarbonylContact O-C 3.56Å; D35-G38 WeakPolarHBondContact O-CA 3.3Å; D35-G38 PolarHBondContact O-N 2.76Å; D35-G38 VanDerWaalsContact O-N 3.09Å; D35-K39 WeakPolarHBondContact O-CB 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.45Å; D35-K39 PolarHBondContact O-N 3.19Å; D35-K39 WeakPolarHBondContact OD1-CE 3.38Å; D35-K39 IonicContact OD1-NZ 2.75Å; D35-K39 PolarHBondContact OD1-NZ 3.33Å; D35-K39 IonicContact OD2-NZ 2.97Å; D35-K39 PolarHBondContact OD2-NZ 2.83Å
36	L	44.4	Very low	45.3	Very low	85 Å²	85	67.2 Å²	67.2	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-32.3	170.4	-170.1	86	0	0	0	111	E32 K39 M40	E32-L36 VanDerWaalsContact O-CA 3.25Å; E32-L36 WeakPolarHBondContact O-CA 3.5Å; E32-L36 WeakPolarHBondContact O-CB 3.41Å; E32-L36 PolarHBondContact O-N 3.32Å; L36-K39 PolarHBondContact O-N 3.26Å; L36-M40 HydrophobicContact CD1-CG 3.88Å; L36-M40 HydrophobicContact CD1-SD 4.09Å; L36-M40 HydrophobicContact CD2-CG 4.24Å; L36-M40 HydrophobicContact CD2-SD 3.38Å; L36-M40 WeakPolarHBondContact CD2-SD 3.16Å; L36-M40 HydrophobicContact CG-CG 3.64Å; L36-M40 HydrophobicContact CG-SD 3.48Å; L36-M40 WeakPolarHBondContact CG-SD 3.13Å; L36-M40 WeakPolarHBondContact O-CA 3.07Å; L36-M40 WeakPolarHBondContact O-CB 3.5Å; L36-M40 PolarHBondContact O-N 3.05Å
37	V	48.6	Very low	44.8	Very low	15 Å²	15	72.8 Å²	72.8	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-37.3	174	167.1	0	0	0	0	111.4	Y33 D35 H41 M450	Y33-V37 HydrophobicContact CD1-CG2 4.16Å; Y33-V37 HydrophobicContact CD2-CG2 4.34Å; Y33-V37 HydrophobicContact CE1-CG2 4.29Å; Y33-V37 HydrophobicContact CE2-CG2 4.47Å; Y33-V37 HydrophobicContact CG-CG2 4.23Å; Y33-V37 WeakPolarHBondContact O-CB 3.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.13Å; Y33-V37 PolarHBondContact O-N 3.44Å; D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 2.97Å; V37-H41 PolarHBondContact O-ND1 3.41Å; V37-M450 HydrophobicContact CG1-CE 4.23Å; V37-M450 HydrophobicContact CG1-CG 4.09Å
38	G	44.7	Very low	44.1	Very low	27 Å²	27	79.6 Å²	79.6	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-41.2	167.7	0	0	0	0	0	112.6	A34 D35 Y359	A34-G38 PolarHBondContact O-N 3.44Å; D35-G38 CarbonylContact O-C 3.56Å; D35-G38 WeakPolarHBondContact O-CA 3.3Å; D35-G38 PolarHBondContact O-N 2.76Å; D35-G38 VanDerWaalsContact O-N 3.09Å; G38-Y359 PolarHBondContact O-OH 3.09Å
39	K	40.8	Very low	43.6	Very low	123 Å²	123	79.1 Å²	79.1	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-89.6	-36.9	-171	-68.7	171.1	179.5	167.9	0	116.3	D35 L36 H41 A42 M43	D35-K39 WeakPolarHBondContact O-CB 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.45Å; D35-K39 PolarHBondContact O-N 3.19Å; D35-K39 WeakPolarHBondContact OD1-CE 3.38Å; D35-K39 IonicContact OD1-NZ 2.75Å; D35-K39 PolarHBondContact OD1-NZ 3.33Å; D35-K39 IonicContact OD2-NZ 2.97Å; D35-K39 PolarHBondContact OD2-NZ 2.83Å; L36-K39 PolarHBondContact O-N 3.26Å; K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 3.4Å; K39-A42 VanDerWaalsContact O-CB 3.3Å; K39-A42 WeakPolarHBondContact O-CB 3.48Å; K39-A42 PolarHBondContact O-N 3.11Å; K39-A42 VanDerWaalsContact O-N 3.14Å; K39-M43 PolarHBondContact O-N 3.44Å
40	M	37.1	Very low	42.9	Very low	102 Å²	102	76.8 Å²	76.8	50%	0.502	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-34.9	-177.4	-94.5	176.2	96.3	0	0	112.4	L36	L36-M40 HydrophobicContact CD1-CG 3.88Å; L36-M40 HydrophobicContact CD1-SD 4.09Å; L36-M40 HydrophobicContact CD2-CG 4.24Å; L36-M40 HydrophobicContact CD2-SD 3.38Å; L36-M40 WeakPolarHBondContact CD2-SD 3.16Å; L36-M40 HydrophobicContact CG-CG 3.64Å; L36-M40 HydrophobicContact CG-SD 3.48Å; L36-M40 WeakPolarHBondContact CG-SD 3.13Å; L36-M40 WeakPolarHBondContact O-CA 3.07Å; L36-M40 WeakPolarHBondContact O-CB 3.5Å; L36-M40 PolarHBondContact O-N 3.05Å
41	H	40.9	Very low	42.4	Very low	56 Å²	56	80.8 Å²	80.8	26%	0.259	45%	0.449	S	S	.	.	H	α-helix	trans	-80.9	-23.7	177.3	-65.7	91.2	0	0	0	112.3	V37 K39 M43 M44 Y408	V37-H41 PolarHBondContact O-ND1 3.41Å; K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 3.4Å; H41-M43 VanDerWaalsContact C-N 3.27Å; H41-M43 PolarHBondContact O-N 2.9Å; H41-M44 HydrophobicContact CB-CE 4.22Å; H41-M44 WeakPolarHBondContact CD2-CE 3.41Å; H41-M44 PolarHBondContact O-N 3Å; H41-Y408 HydrophobicContact CB-CE1 3.7Å; H41-Y408 AromaticContact CD2-CE1 3.91Å; H41-Y408 AromaticContact CD2-CZ 3.91Å; H41-Y408 PolarHBondContact CD2-OH 2.86Å; H41-Y408 AromaticContact CG-CE1 3.82Å
42	A	41.8	Very low	41.5	Very low	48 Å²	48	82.8 Å²	82.8	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-35.7	171.6	0	0	0	0	0	111.3	K39 M44 R45 Y359	K39-A42 VanDerWaalsContact O-CB 3.3Å; K39-A42 WeakPolarHBondContact O-CB 3.48Å; K39-A42 PolarHBondContact O-N 3.11Å; K39-A42 VanDerWaalsContact O-N 3.14Å; A42-M44 VanDerWaalsContact C-N 3.33Å; A42-M44 PolarHBondContact O-N 3.45Å; A42-R45 PolarHBondContact O-N 2.82Å; A42-Y359 PolarHBondContact N-OH 3.27Å; A42-Y359 VanDerWaalsContact N-OH 3.15Å
43	M	32.5	Very low	41.2	Very low	166 Å²	166	81.6 Å²	81.6	82%	0.818	46%	0.457	S	S	*	.	H	α-helix	trans	-70.7	-26.5	178.3	-145.2	174.5	-161.4	0	0	113.2	K39 H41 R45	K39-M43 PolarHBondContact O-N 3.44Å; H41-M43 VanDerWaalsContact C-N 3.27Å; H41-M43 PolarHBondContact O-N 2.9Å; M43-R45 PolarHBondContact O-N 3.14Å; M43-R45 VanDerWaalsContact O-N 3.1Å
44	M	34.6	Very low	40.6	Very low	110 Å²	110	84.1 Å²	84.1	54%	0.542	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	5.5	178.5	-71.1	-165.1	-76.1	0	0	114.3	H41 A42	H41-M44 HydrophobicContact CB-CE 4.22Å; H41-M44 WeakPolarHBondContact CD2-CE 3.41Å; H41-M44 PolarHBondContact O-N 3Å; A42-M44 VanDerWaalsContact C-N 3.33Å; A42-M44 PolarHBondContact O-N 3.45Å
45	R	42.3	Very low	40	Very low	107 Å²	107	88.1 Å²	88.1	40%	0.404	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	8.4	-174.8	-67.4	-174.8	-175.4	-157.2	-4.8	116.5	A42 M43 S47 Y359	A42-R45 PolarHBondContact O-N 2.82Å; M43-R45 PolarHBondContact O-N 3.14Å; M43-R45 VanDerWaalsContact O-N 3.1Å; R45-S47 PolarHBondContact O-N 2.82Å; R45-Y359 VanDerWaalsContact CZ-CD1 3.48Å
46	S	34.8	Very low	39.5	Very low	73 Å²	73	93 Å²	93	51%	0.51	52%	0.517	S	S	.	.	S	Bend	trans	-69.1	122.2	165.8	90.4	0	0	0	0	108.3	K48	S46-K48 PolarHBondContact O-N 2.96Å
47	S	37.8	Very low	39.2	Very low	129 Å²	129	93.5 Å²	93.5	90%	0.902	52%	0.519	S	S	*	.			trans	-66.6	52.1	-172.7	49	0	0	0	0	114.6	R45	R45-S47 PolarHBondContact O-N 2.82Å
48	K	34.4	Very low	38.6	Very low	145 Å²	145	94.9 Å²	94.9	63%	0.63	54%	0.536	S	S	*	.			trans	-98.4	152.7	175.2	-69.4	-172.1	179.6	-178.8	0	110.9	S46 F53	S46-K48 PolarHBondContact O-N 2.96Å; K48-F53 HydrophobicContact CB-CE2 4.2Å; K48-F53 WeakPolarHBondContact O-CE2 3.1Å
49	P	37.5	Very low	38.4	Very low	88 Å²	88	98.2 Å²	98.2	57%	0.571	55%	0.551	S	S	*	*			trans	-73.2	144.3	-176.3	24.8	-31.6	0	0	0	113.4	S51 T52 F53	P49-S51 PolarHBondContact O-N 3.45Å; P49-T52 PolarHBondContact O-N 2.82Å; P49-T52 VanDerWaalsContact O-N 3.09Å; P49-T52 PolarHBondContact O-OG1 3.35Å; P49-F53 WeakPolarHBondContact O-CD2 3.23Å
50	A	42.2	Very low	38.2	Very low	81 Å²	81	98.5 Å²	98.5	67%	0.669	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-22.2	-172.5	0	0	0	0	0	116.1	T52 F53	A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 3.02Å; A50-F53 WeakPolarHBondContact O-CB 3.22Å; A50-F53 PolarHBondContact O-N 3.35Å; A50-F53 VanDerWaalsContact O-N 3.14Å
51	S	41.3	Very low	38	Very low	95 Å²	95	99.5 Å²	99.5	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-30.7	178	58.8	0	0	0	0	113.2	P49 F53	P49-S51 PolarHBondContact O-N 3.45Å; S51-F53 VanDerWaalsContact C-N 3.31Å
52	T	37.9	Very low	38	Very low	63 Å²	63	99.9 Å²	99.9	39%	0.387	57%	0.57	S	S	.	*	H	α-helix	trans	-76.1	-18.7	173.1	48	0	0	0	0	112.8	P49 A50 Y56	P49-T52 PolarHBondContact O-N 2.82Å; P49-T52 VanDerWaalsContact O-N 3.09Å; P49-T52 PolarHBondContact O-OG1 3.35Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 3.02Å; T52-Y56 WeakPolarHBondContact O-CD2 2.9Å
53	F	42.7	Very low	37.9	Very low	72 Å²	72	100.8 Å²	100.8	32%	0.316	57%	0.571	S	S	.	*	H	α-helix	trans	-72.5	-37.9	-176.7	-78.7	-111.4	0	0	0	112.8	K48 P49 A50 S51 V55 Y56 I57	K48-F53 HydrophobicContact CB-CE2 4.2Å; K48-F53 WeakPolarHBondContact O-CE2 3.1Å; P49-F53 WeakPolarHBondContact O-CD2 3.23Å; A50-F53 WeakPolarHBondContact O-CB 3.22Å; A50-F53 PolarHBondContact O-N 3.35Å; A50-F53 VanDerWaalsContact O-N 3.14Å; S51-F53 VanDerWaalsContact C-N 3.31Å; F53-V55 PolarHBondContact O-N 3.37Å; F53-Y56 PolarHBondContact O-N 2.77Å; F53-I57 HydrophobicContact CB-CD1 4.17Å; F53-I57 VanDerWaalsContact O-CB 3.29Å; F53-I57 WeakPolarHBondContact O-CB 3.15Å; F53-I57 WeakPolarHBondContact O-CD1 3.29Å; F53-I57 WeakPolarHBondContact O-CG1 3.29Å; F53-I57 PolarHBondContact O-N 3.17Å
54	S	39.1	Very low	38.2	Very low	93 Å²	93	95.1 Å²	95.1	65%	0.65	55%	0.546	S	S	*	.	H	α-helix	trans	-61.6	-35.6	-178.7	-163.8	0	0	0	0	112.2	G58	S54-G58 PolarHBondContact O-N 3.29Å
55	V	38.2	Very low	38.4	Very low	96 Å²	96	92.5 Å²	92.5	58%	0.582	54%	0.538	S	S	*	.	H	α-helix	trans	-74.8	-45	-178.3	-174.7	0	0	0	0	111.7	F53 G58 V59	F53-V55 PolarHBondContact O-N 3.37Å; V55-G58 PolarHBondContact O-N 3.42Å; V55-V59 VanDerWaalsContact O-CG2 3.31Å; V55-V59 WeakPolarHBondContact O-CG2 3.38Å; V55-V59 PolarHBondContact O-N 2.89Å
56	Y	35.8	Very low	38.2	Very low	180 Å²	180	89.9 Å²	89.9	71%	0.706	54%	0.536	S	S	*	.	H	α-helix	trans	-71.7	-37.2	178.6	-83.2	-81.5	0	0	0	112.9	T52 F53 G58 V59 F60	T52-Y56 WeakPolarHBondContact O-CD2 2.9Å; F53-Y56 PolarHBondContact O-N 2.77Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; Y56-V59 PolarHBondContact O-N 3.24Å; Y56-F60 VanDerWaalsContact O-CB 3.26Å; Y56-F60 WeakPolarHBondContact O-CB 3.31Å; Y56-F60 PolarHBondContact O-N 3.27Å
57	I	39	Very low	38.3	Very low	95 Å²	95	95.8 Å²	95.8	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-44.1	172.8	-67.6	166.8	0	0	0	109.6	F53 M61	F53-I57 HydrophobicContact CB-CD1 4.17Å; F53-I57 VanDerWaalsContact O-CB 3.29Å; F53-I57 WeakPolarHBondContact O-CB 3.15Å; F53-I57 WeakPolarHBondContact O-CD1 3.29Å; F53-I57 WeakPolarHBondContact O-CG1 3.29Å; F53-I57 PolarHBondContact O-N 3.17Å; I57-M61 HydrophobicContact CG2-CG 4.06Å; I57-M61 WeakPolarHBondContact O-CB 3.43Å; I57-M61 VanDerWaalsContact O-CG 3.23Å; I57-M61 WeakPolarHBondContact O-CG 3.47Å; I57-M61 PolarHBondContact O-N 3.02Å
58	G	34.8	Very low	38.2	Very low	44 Å²	44	95.2 Å²	95.2	45%	0.454	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-48	177.2	0	0	0	0	0	113.2	S54 V55 Y56 A62	S54-G58 PolarHBondContact O-N 3.29Å; V55-G58 PolarHBondContact O-N 3.42Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; G58-A62 VanDerWaalsContact O-CB 3.29Å; G58-A62 WeakPolarHBondContact O-CB 3.07Å; G58-A62 PolarHBondContact O-N 2.78Å
59	V	40.8	Very low	38.2	Very low	97 Å²	97	92.2 Å²	92.2	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-71.1	-39.7	-177.5	175.9	0	0	0	0	112.1	V55 Y56 A62 T63	V55-V59 VanDerWaalsContact O-CG2 3.31Å; V55-V59 WeakPolarHBondContact O-CG2 3.38Å; V55-V59 PolarHBondContact O-N 2.89Å; Y56-V59 PolarHBondContact O-N 3.24Å; V59-A62 PolarHBondContact O-N 3.23Å; V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.06Å
60	F	35.7	Very low	38	Very low	128 Å²	128	97.4 Å²	97.4	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-79.3	-38.5	-178.3	-162.9	-104.4	0	0	0	112.7	Y56 A62 T63 V64	Y56-F60 VanDerWaalsContact O-CB 3.26Å; Y56-F60 WeakPolarHBondContact O-CB 3.31Å; Y56-F60 PolarHBondContact O-N 3.27Å; F60-A62 VanDerWaalsContact C-N 3.27Å; F60-A62 PolarHBondContact O-N 3.47Å; F60-T63 WeakPolarHBondContact CA-OG1 3.32Å; F60-T63 PolarHBondContact O-N 3.03Å; F60-T63 VanDerWaalsContact O-N 3.13Å; F60-T63 PolarHBondContact O-OG1 3.41Å; F60-V64 HydrophobicContact CD1-CG2 3.8Å; F60-V64 HydrophobicContact CE1-CG2 3.41Å; F60-V64 VanDerWaalsContact CE1-CG2 3.41Å; F60-V64 HydrophobicContact CE2-CG2 4.25Å; F60-V64 HydrophobicContact CG-CG2 4.38Å; F60-V64 HydrophobicContact CZ-CG2 3.66Å; F60-V64 PolarHBondContact O-N 3.06Å
61	M	34.6	Very low	37.6	Very low	124 Å²	124	97.8 Å²	97.8	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-60.4	-39.6	168.8	-75.5	-68.1	-148.9	0	0	110.2	I57 T63 S65	I57-M61 HydrophobicContact CG2-CG 4.06Å; I57-M61 WeakPolarHBondContact O-CB 3.43Å; I57-M61 VanDerWaalsContact O-CG 3.23Å; I57-M61 WeakPolarHBondContact O-CG 3.47Å; I57-M61 PolarHBondContact O-N 3.02Å; M61-T63 VanDerWaalsContact C-N 3.3Å; M61-T63 PolarHBondContact O-N 3.37Å; M61-S65 WeakPolarHBondContact O-CA 3.02Å; M61-S65 WeakPolarHBondContact O-CB 3.43Å; M61-S65 PolarHBondContact O-N 3.44Å
62	A	39.6	Very low	37.1	Very low	63 Å²	63	95.3 Å²	95.3	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-34.7	174.9	0	0	0	0	0	113.1	G58 V59 F60 S66	G58-A62 VanDerWaalsContact O-CB 3.29Å; G58-A62 WeakPolarHBondContact O-CB 3.07Å; G58-A62 PolarHBondContact O-N 2.78Å; V59-A62 PolarHBondContact O-N 3.23Å; F60-A62 VanDerWaalsContact C-N 3.27Å; F60-A62 PolarHBondContact O-N 3.47Å; A62-S66 WeakPolarHBondContact O-CB 3.4Å; A62-S66 PolarHBondContact O-N 3.09Å; A62-S66 PolarHBondContact O-OG 2.7Å
63	T	39.7	Very low	36.7	Very low	67 Å²	67	100.2 Å²	100.2	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-80.4	-40	179.4	16.2	0	0	0	0	113.4	V59 F60 M61 S66 R67	V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.06Å; F60-T63 WeakPolarHBondContact CA-OG1 3.32Å; F60-T63 PolarHBondContact O-N 3.03Å; F60-T63 VanDerWaalsContact O-N 3.13Å; F60-T63 PolarHBondContact O-OG1 3.41Å; M61-T63 VanDerWaalsContact C-N 3.3Å; M61-T63 PolarHBondContact O-N 3.37Å; T63-S66 PolarHBondContact O-OG 3.37Å; T63-R67 WeakPolarHBondContact O-CG 3.5Å; T63-R67 PolarHBondContact O-N 2.71Å
64	V	39.3	Very low	36.3	Very low	48 Å²	48	103.5 Å²	103.5	29%	0.291	54%	0.544	S	S	.	.	H	α-helix	trans	-77.4	-41.1	177.9	174.7	0	0	0	0	111.2	F60 S66 R67 L68	F60-V64 HydrophobicContact CD1-CG2 3.8Å; F60-V64 HydrophobicContact CE1-CG2 3.41Å; F60-V64 VanDerWaalsContact CE1-CG2 3.41Å; F60-V64 HydrophobicContact CE2-CG2 4.25Å; F60-V64 HydrophobicContact CG-CG2 4.38Å; F60-V64 HydrophobicContact CZ-CG2 3.66Å; F60-V64 PolarHBondContact O-N 3.06Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.78Å; V64-R67 PolarHBondContact O-N 2.88Å; V64-L68 HydrophobicContact CG1-CD1 3.59Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.42Å; V64-L68 PolarHBondContact O-N 2.96Å
65	S	39.5	Very low	36	Very low	54 Å²	54	105.8 Å²	105.8	38%	0.378	54%	0.543	S	S	.	.	H	α-helix	trans	-59.7	-44.3	170.4	-173.2	0	0	0	0	110	M61 R67 L69	M61-S65 WeakPolarHBondContact O-CA 3.02Å; M61-S65 WeakPolarHBondContact O-CB 3.43Å; M61-S65 PolarHBondContact O-N 3.44Å; S65-R67 PolarHBondContact O-N 3.29Å; S65-L69 WeakPolarHBondContact O-CA 3.49Å; S65-L69 WeakPolarHBondContact O-CB 3.35Å; S65-L69 VanDerWaalsContact O-CD1 3.22Å; S65-L69 WeakPolarHBondContact O-CD1 3.39Å; S65-L69 PolarHBondContact O-N 2.92Å; S65-L69 WeakPolarHBondContact OG-CD1 3.49Å
66	S	37.3	Very low	35.6	Very low	52 Å²	52	106.8 Å²	106.8	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-67.9	-33	176.8	65.1	0	0	0	0	114.1	A62 T63 V64 R70	A62-S66 WeakPolarHBondContact O-CB 3.4Å; A62-S66 PolarHBondContact O-N 3.09Å; A62-S66 PolarHBondContact O-OG 2.7Å; T63-S66 PolarHBondContact O-OG 3.37Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.78Å; S66-R70 WeakPolarHBondContact O-CB 3.48Å; S66-R70 WeakPolarHBondContact O-CG 3.25Å; S66-R70 PolarHBondContact O-N 2.6Å
67	R	35.9	Very low	35.5	Very low	197 Å²	197	109.5 Å²	109.5	74%	0.743	55%	0.553	S	S	*	*	H	α-helix	trans	-73.5	-43.1	175.1	-76.5	-176.6	178.2	-170.3	-0	112.5	T63 V64 S65 V71	T63-R67 WeakPolarHBondContact O-CG 3.5Å; T63-R67 PolarHBondContact O-N 2.71Å; V64-R67 PolarHBondContact O-N 2.88Å; S65-R67 PolarHBondContact O-N 3.29Å; R67-V71 WeakPolarHBondContact O-CG2 3.27Å; R67-V71 PolarHBondContact O-N 3.36Å
68	L	36.2	Very low	35.3	Very low	118 Å²	118	109.5 Å²	109.5	62%	0.618	56%	0.558	S	S	*	*	H	α-helix	trans	-72.5	-37	176.1	-75.8	163.9	0	0	0	112.2	V64 S72	V64-L68 HydrophobicContact CG1-CD1 3.59Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.42Å; V64-L68 PolarHBondContact O-N 2.96Å; L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 3.2Å; L68-S72 PolarHBondContact O-OG 3.21Å
69	L	34.6	Very low	35.2	Very low	81 Å²	81	110 Å²	110	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-74.6	-31	175.6	-86.9	123.3	0	0	0	113.7	S65 V71 S72 K73	S65-L69 WeakPolarHBondContact O-CA 3.49Å; S65-L69 WeakPolarHBondContact O-CB 3.35Å; S65-L69 VanDerWaalsContact O-CD1 3.22Å; S65-L69 WeakPolarHBondContact O-CD1 3.39Å; S65-L69 PolarHBondContact O-N 2.92Å; S65-L69 WeakPolarHBondContact OG-CD1 3.49Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-S72 WeakPolarHBondContact CA-OG 3.4Å; L69-S72 PolarHBondContact O-OG 2.99Å; L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 VanDerWaalsContact O-CG 3.31Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 3.38Å; L69-K73 VanDerWaalsContact O-N 3.09Å
70	R	33	Very low	35.2	Very low	198 Å²	198	114.1 Å²	114.1	75%	0.747	56%	0.563	S	S	*	*	H	α-helix	trans	-69.1	-34.1	174	-83	-179	176	-173.5	0.1	111.8	S66	S66-R70 WeakPolarHBondContact O-CB 3.48Å; S66-R70 WeakPolarHBondContact O-CG 3.25Å; S66-R70 PolarHBondContact O-N 2.6Å
71	V	33.7	Very low	35.3	Very low	89 Å²	89	109.9 Å²	109.9	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-85.3	-34.7	178.4	-178.6	0	0	0	0	111.7	R67 L69 K73 L74	R67-V71 WeakPolarHBondContact O-CG2 3.27Å; R67-V71 PolarHBondContact O-N 3.36Å; L69-V71 VanDerWaalsContact C-N 3.33Å; V71-K73 VanDerWaalsContact C-N 3.33Å; V71-K73 PolarHBondContact O-N 2.8Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-L74 VanDerWaalsContact O-N 3.16Å
72	S	32	Very low	35.5	Very low	42 Å²	42	106.6 Å²	106.6	29%	0.294	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-34.4	174.3	75.6	0	0	0	0	112.1	L68 L69 L74 F75 L76	L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 3.2Å; L68-S72 PolarHBondContact O-OG 3.21Å; L69-S72 WeakPolarHBondContact CA-OG 3.4Å; L69-S72 PolarHBondContact O-OG 2.99Å; S72-L74 PolarHBondContact O-N 3.42Å; S72-F75 PolarHBondContact O-N 3.04Å; S72-L76 WeakPolarHBondContact O-CB 3.38Å; S72-L76 WeakPolarHBondContact O-CD1 3.24Å; S72-L76 VanDerWaalsContact O-CG 3.24Å; S72-L76 WeakPolarHBondContact O-CG 3.23Å; S72-L76 PolarHBondContact O-N 2.91Å
73	K	29.9	Very low	35.1	Very low	166 Å²	166	108.6 Å²	108.6	72%	0.722	55%	0.546	S	S	*	.	H	α-helix	trans	-64.5	-23.3	173.3	-81.2	-177.2	178.4	-175.7	0	113.9	L69 V71	L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 VanDerWaalsContact O-CG 3.31Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 3.38Å; L69-K73 VanDerWaalsContact O-N 3.09Å; V71-K73 VanDerWaalsContact C-N 3.33Å; V71-K73 PolarHBondContact O-N 2.8Å
74	L	34.1	Very low	34.8	Very low	142 Å²	142	108.5 Å²	108.5	74%	0.743	55%	0.549	S	S	*	.	H	α-helix	trans	-80.3	-23.1	177.8	-127.9	94.2	0	0	0	113	V71 S72	V71-L74 PolarHBondContact O-N 3.49Å; V71-L74 VanDerWaalsContact O-N 3.16Å; S72-L74 PolarHBondContact O-N 3.42Å
75	F	33.2	Very low	34.2	Very low	141 Å²	141	115.4 Å²	115.4	62%	0.618	58%	0.575	S	S	*	*	H	α-helix	trans	-124.2	-0.3	-174.7	-82.2	-83.7	0	0	0	115.4	S72 R77	S72-F75 PolarHBondContact O-N 3.04Å; F75-R77 PolarHBondContact O-N 2.94Å
76	L	29.2	Very low	33.8	Very low	117 Å²	117	119.6 Å²	119.6	61%	0.613	59%	0.588	S	S	*	*			trans	-75.9	61.5	170.7	-83.3	160.4	0	0	0	111.7	S72 T78	S72-L76 WeakPolarHBondContact O-CB 3.38Å; S72-L76 WeakPolarHBondContact O-CD1 3.24Å; S72-L76 VanDerWaalsContact O-CG 3.24Å; S72-L76 WeakPolarHBondContact O-CG 3.23Å; S72-L76 PolarHBondContact O-N 2.91Å; L76-T78 PolarHBondContact O-N 2.85Å
77	R	33.8	Very low	33.4	Very low	237 Å²	237	126.3 Å²	126.3	89%	0.894	61%	0.614	S	S	*	*	S	Bend	trans	-80.7	80.5	142.9	-84.4	-172.4	167.4	-173.3	-3	107.2	F75 A79	F75-R77 PolarHBondContact O-N 2.94Å; R77-A79 PolarHBondContact O-N 3.39Å
78	T	34.9	Very low	33.3	Very low	95 Å²	95	128.1 Å²	128.1	58%	0.583	62%	0.621	S	S	*	*			trans	34.5	69.9	159.9	59.5	0	0	0	0	116.1	L76	L76-T78 PolarHBondContact O-N 2.85Å
79	A	33	Very low	33.2	Very low	55 Å²	55	131 Å²	131	46%	0.455	63%	0.631	S	S	.	*			trans	-68.2	129	156.5	0	0	0	0	0	108.2	R77	R77-A79 PolarHBondContact O-N 3.39Å
80	R	39	Very low	33.4	Very low	182 Å²	182	132.8 Å²	132.8	69%	0.687	65%	0.65	S	S	*	*			trans	-113.3	136.4	-179	-76.4	-178.1	175.4	170.8	0.5	110.2
81	A	38.1	Very low	33.6	Very low	39 Å²	39	131.1 Å²	131.1	32%	0.322	65%	0.651	S	S	.	*			trans	-68.8	147.9	161.6	0	0	0	0	0	109.8	T83 F139	A81-T83 VanDerWaalsContact C-N 3.34Å; A81-T83 PolarHBondContact O-N 3.1Å; A81-F139 HydrophobicContact CB-CE2 4.02Å; A81-F139 HydrophobicContact CB-CZ 4.12Å
82	S	39	Very low	33.9	Very low	55 Å²	55	136.5 Å²	136.5	39%	0.385	67%	0.67	S	S	.	*			trans	-60.5	93.4	170.3	161.5	0	0	0	0	110	H141	S82-H141 PolarHBondContact O-NE2 3.34Å
83	T	32.5	Very low	34.6	Very low	105 Å²	105	141.2 Å²	141.2	64%	0.644	69%	0.689	S	S	*	*			trans	-107.6	96.3	169.3	54.6	0	0	0	0	108.1	A81 K85	A81-T83 VanDerWaalsContact C-N 3.34Å; A81-T83 PolarHBondContact O-N 3.1Å; T83-K85 PolarHBondContact O-N 2.81Å
84	S	32.4	Very low	35	Very low	66 Å²	66	137.6 Å²	137.6	46%	0.462	68%	0.683	S	S	.	*			trans	-65.5	104.9	158.4	65.8	0	0	0	0	106.3	H86	S84-H86 VanDerWaalsContact C-N 3.25Å; S84-H86 PolarHBondContact O-N 2.82Å
85	K	27.8	Very low	35.2	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	69%	0.688	S	S	*	*			trans	-65.4	89.9	167	-81.3	-173.5	173.9	-172.5	0	108.3	T83	T83-K85 PolarHBondContact O-N 2.81Å
86	H	30	Very low	35.6	Very low	142 Å²	142	138.7 Å²	138.7	66%	0.657	69%	0.688	S	S	*	*			trans	-124.6	96.9	155.3	-75.2	-64.8	0	0	0	105.7	S84	S84-H86 VanDerWaalsContact C-N 3.25Å; S84-H86 PolarHBondContact O-N 2.82Å
87	E	29	Very low	35.9	Very low	192 Å²	192	141 Å²	141	90%	0.897	70%	0.695	S	S	*	*			trans	-55.2	141.2	163.7	-96.9	163.5	146.6	0	0	109.3	E89	E87-E89 PolarHBondContact O-N 3Å
88	W	34.1	Very low	36.2	Very low	235 Å²	235	138.3 Å²	138.3	89%	0.89	69%	0.686	S	S	*	*			trans	-81.6	96.5	-174.6	-60	81.7	0	0	0	109	S90	W88-S90 PolarHBondContact O-N 2.94Å
89	E	33.5	Very low	36.4	Very low	179 Å²	179	139.4 Å²	139.4	84%	0.836	69%	0.692	S	S	*	*			trans	-83.7	104.8	150.7	-76.7	-177.6	168.4	0	0	106.9	E87 E91	E87-E89 PolarHBondContact O-N 3Å; E89-E91 PolarHBondContact O-N 3.03Å
90	S	39.1	Very low	36.8	Very low	118 Å²	118	141 Å²	141	83%	0.825	70%	0.698	S	S	*	*			trans	-72.8	74.2	172	56.3	0	0	0	0	109.3	W88	W88-S90 PolarHBondContact O-N 2.94Å
91	E	38.6	Very low	36.9	Very low	164 Å²	164	140.3 Å²	140.3	77%	0.766	70%	0.703	S	S	*	*			trans	-94.9	137	152.2	-70.3	-162.2	162.5	0	0	108.1	E89 M93	E89-E91 PolarHBondContact O-N 3.03Å; E91-M93 VanDerWaalsContact C-N 3.29Å; E91-M93 PolarHBondContact O-N 3.01Å
92	E	39.8	Very low	37	Very low	201 Å²	201	149.1 Å²	149.1	94%	0.939	73%	0.734	S	S	*	*			trans	-52.9	86.2	-178.2	-67.1	179.2	153.5	0	0	111	P94	E92-P94 WeakPolarHBondContact O-CD 3.31Å
93	M	46.6	Very low	37.4	Very low	142 Å²	142	148.6 Å²	148.6	70%	0.7	74%	0.737	S	S	*	*			trans	-71.7	125.7	171.8	-94.4	-171.1	-80.5	0	0	108.6	E91 I95	E91-M93 VanDerWaalsContact C-N 3.29Å; E91-M93 PolarHBondContact O-N 3.01Å; M93-I95 PolarHBondContact O-N 3.5Å
94	P	36.9	Very low	38	Very low	89 Å²	89	153.8 Å²	153.8	58%	0.578	75%	0.751	S	S	*	*			trans	-61.8	125.7	174.3	22	-29.8	0	0	0	110	E92 F96	E92-P94 WeakPolarHBondContact O-CD 3.31Å; P94-F96 HydrophobicContact CB-CE2 4.2Å; P94-F96 HydrophobicContact CB-CZ 4.22Å; P94-F96 HydrophobicContact CG-CE2 3.73Å; P94-F96 HydrophobicContact CG-CZ 3.85Å; P94-F96 WeakPolarHBondContact O-CD2 3.34Å; P94-F96 PolarHBondContact O-N 3.25Å; P94-F96 VanDerWaalsContact O-N 3.16Å
95	I	39.5	Very low	39	Very low	166 Å²	166	154.3 Å²	154.3	85%	0.851	75%	0.746	S	S	*	*			trans	-73.5	102.7	170.6	-60.7	172.9	0	0	0	106.8	M93 E97	M93-I95 PolarHBondContact O-N 3.5Å; I95-E97 PolarHBondContact O-N 3.26Å
96	F	40.3	Very low	40.5	Very low	141 Å²	141	155.8 Å²	155.8	62%	0.618	75%	0.746	S	S	*	*			trans	-77.9	101.9	169.7	-65.3	-78.7	0	0	0	109	P94 Y98	P94-F96 HydrophobicContact CB-CE2 4.2Å; P94-F96 HydrophobicContact CB-CZ 4.22Å; P94-F96 HydrophobicContact CG-CE2 3.73Å; P94-F96 HydrophobicContact CG-CZ 3.85Å; P94-F96 WeakPolarHBondContact O-CD2 3.34Å; P94-F96 PolarHBondContact O-N 3.25Å; P94-F96 VanDerWaalsContact O-N 3.16Å; F96-Y98 PolarHBondContact O-N 2.72Å
97	E	36.5	Very low	42.4	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	74%	0.737	S	S	*	*			trans	-70.4	111.2	159.4	-173.3	172	-167.7	0	0	107.2	I95 V99	I95-E97 PolarHBondContact O-N 3.26Å; E97-V99 PolarHBondContact O-N 3.05Å
98	Y	40	Very low	44.9	Very low	181 Å²	181	149.1 Å²	149.1	71%	0.71	71%	0.709	S	S	*	*			trans	-67	98.8	173.8	-128.1	-91.6	0	0	0	107.9	F96 P100	F96-Y98 PolarHBondContact O-N 2.72Å; Y98-P100 VanDerWaalsContact O-CD 3.32Å; Y98-P100 WeakPolarHBondContact O-CD 3.29Å
99	V	38	Very low	47.4	Very low	117 Å²	117	139.7 Å²	139.7	71%	0.709	68%	0.677	S	S	*	*			trans	-75.1	112.9	165.7	-177.6	0	0	0	0	106	E97 E101	E97-V99 PolarHBondContact O-N 3.05Å; V99-E101 PolarHBondContact O-N 3.24Å
100	P	42.3	Very low	50.1	Low	89 Å²	89	132 Å²	132	58%	0.578	64%	0.641	S	S	*	*			trans	-61.5	123.5	-175.3	21.1	-29.4	0	0	0	110.1	Y98	Y98-P100 VanDerWaalsContact O-CD 3.32Å; Y98-P100 WeakPolarHBondContact O-CD 3.29Å
101	E	40.7	Very low	52.7	Low	167 Å²	167	126.4 Å²	126.4	78%	0.78	60%	0.602	S	S	*	*			trans	-56.9	148.9	164.4	-97.3	-174.8	154.8	0	0	109	V99 G103	V99-E101 PolarHBondContact O-N 3.24Å; E101-G103 PolarHBondContact O-N 2.97Å
102	K	41.5	Very low	55.3	Low	225 Å²	225	118.7 Å²	118.7	98%	0.978	57%	0.565	S	S	*	*	S	Bend	trans	-70	55.8	179.2	-67.1	178.2	178.4	175.3	0	111.5
103	G	45.8	Very low	57.9	Low	44 Å²	44	109.1 Å²	109.1	45%	0.454	52%	0.521	S	S	.	.	S	Bend	trans	-107.9	150.4	169.1	0	0	0	0	0	109.8	E101 H105	E101-G103 PolarHBondContact O-N 2.97Å; G103-H105 PolarHBondContact O-CD2 2.94Å; G103-H105 PolarHBondContact O-N 2.82Å
104	K	46.5	Very low	60.2	Low	214 Å²	214	102.4 Å²	102.4	93%	0.93	49%	0.487	S	S	*	.			trans	-65.1	69.6	-177.2	-67.1	175	178.5	171	0	112.7	R106	K104-R106 PolarHBondContact O-N 2.91Å; K104-R106 VanDerWaalsContact O-N 3.13Å
105	H	52.2	Low	63	Low	77 Å²	77	98.1 Å²	98.1	36%	0.356	46%	0.46	S	S	.	.			trans	-70.7	103	173.3	-69.8	-57.2	0	0	0	109.1	G103 R107 L526	G103-H105 PolarHBondContact O-CD2 2.94Å; G103-H105 PolarHBondContact O-N 2.82Å; H105-R107 PolarHBondContact O-N 2.93Å; H105-L526 WeakPolarHBondContact CA-O 3.27Å; H105-L526 WeakPolarHBondContact CB-O 3.15Å; H105-L526 PolarHBondContact CE1-OXT 2.81Å; H105-L526 PolarHBondContact ND1-O 3.38Å; H105-L526 PolarHBondContact ND1-OXT 2.9Å
106	R	60.8	Low	65.6	Low	224 Å²	224	91.6 Å²	91.6	85%	0.845	43%	0.425	S	S	*	.			trans	-73.2	120.6	174.4	-79.8	-176.4	169.7	177.8	-2.1	108.2	K104 K108	K104-R106 PolarHBondContact O-N 2.91Å; K104-R106 VanDerWaalsContact O-N 3.13Å; R106-K108 PolarHBondContact O-N 2.86Å
107	R	69.8	Low	68	Low	123 Å²	123	85 Å²	85	46%	0.464	40%	0.396	S	S	.	.			trans	-51.1	116.7	169.8	-69.5	-171.2	-179.5	178.3	2.6	109.4	H105 Q523 W525	H105-R107 PolarHBondContact O-N 2.93Å; R107-Q523 HydrophobicContact CB-CG 3.93Å; R107-Q523 VanDerWaalsContact CD-CD 3.44Å; R107-Q523 HydrophobicContact CG-CG 4.32Å; R107-W525 HydrophobicContact CG-CD2 3.94Å; R107-W525 HydrophobicContact CG-CE3 3.52Å; R107-W525 HydrophobicContact CG-CH2 3.95Å; R107-W525 HydrophobicContact CG-CZ2 4.28Å; R107-W525 HydrophobicContact CG-CZ3 3.5Å; R107-W525 VanDerWaalsContact CZ-CZ2 3.49Å
108	K	80.7	Confident	70.6	Confident	70 Å²	70	78.6 Å²	78.6	30%	0.304	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.5	176.7	-163.7	178.6	178.8	-173.4	0	109.3	R106 R110 D150 T524 L526	R106-K108 PolarHBondContact O-N 2.86Å; K108-R110 VanDerWaalsContact NZ-NH1 3.2Å; K108-D150 WeakPolarHBondContact CE-O 3.26Å; K108-D150 PolarHBondContact NZ-O 2.85Å; K108-T524 PolarHBondContact N-O 3.15Å; K108-T524 PolarHBondContact O-N 3.45Å; K108-T524 PolarHBondContact O-OG1 3.41Å; K108-L526 HydrophobicContact CB-CD1 3.7Å; K108-L526 HydrophobicContact CB-CG 4.29Å; K108-L526 HydrophobicContact CD-CD1 3.55Å; K108-L526 HydrophobicContact CG-CD1 4.22Å
109	V	86.4	Confident	73	Confident	38 Å²	38	70.1 Å²	70.1	23%	0.23	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.3	169.2	-179.6	0	0	0	0	107.8	R521 C522	V109-R521 HydrophobicContact CG1-CG 3.89Å; V109-C522 WeakPolarHBondContact CA-O 3.21Å
110	R	89.5	Confident	75.6	Confident	18 Å²	18	64.7 Å²	64.7	7%	0.068	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.5	174.6	-66.1	-66.6	-165.8	-171.2	12.1	109.1	K108 Y112 D150 C522 T524	K108-R110 VanDerWaalsContact NZ-NH1 3.2Å; R110-Y112 HydrophobicContact CB-CD2 4.3Å; R110-Y112 HydrophobicContact CB-CE2 3.68Å; R110-D150 WeakPolarHBondContact CD-OD1 3.2Å; R110-D150 IonicContact CZ-OD1 4Å; R110-D150 IonicContact CZ-OD2 3.91Å; R110-D150 IonicContact NE-OD1 3.47Å; R110-D150 IonicContact NH1-OD1 3.87Å; R110-D150 PolarHBondContact NH1-OD1 3.46Å; R110-D150 IonicContact NH1-OD2 3.3Å; R110-D150 PolarHBondContact NH1-OD2 3.09Å; R110-C522 PolarHBondContact N-O 3.5Å; R110-C522 PolarHBondContact O-N 3.04Å; R110-T524 HydrophobicContact CB-CG2 4.46Å; R110-T524 HydrophobicContact CG-CG2 4.09Å; R110-T524 WeakPolarHBondContact CG-OG1 3.31Å
111	L	93.5	Very high	78.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.3	174.3	-177.9	65.5	0	0	0	108.5	I146 V154 I157 F166	L111-I146 HydrophobicContact CB-CB 4.32Å; L111-I146 HydrophobicContact CD2-CB 3.85Å; L111-I146 HydrophobicContact CD2-CD1 3.98Å; L111-I146 HydrophobicContact CD2-CG1 4.49Å; L111-I146 HydrophobicContact CD2-CG2 3.81Å; L111-I146 HydrophobicContact CG-CB 3.96Å; L111-I146 HydrophobicContact CG-CD1 3.99Å; L111-I146 HydrophobicContact CG-CG1 4.4Å; L111-I146 HydrophobicContact CG-CG2 4.48Å; L111-I146 PolarHBondContact O-N 2.85Å; L111-V154 HydrophobicContact CD2-CG2 4.3Å; L111-I157 HydrophobicContact CD1-CG2 3.85Å; L111-F166 HydrophobicContact CD2-CD1 3.77Å; L111-F166 HydrophobicContact CD2-CE1 3.59Å; L111-F166 HydrophobicContact CD2-CZ 4.29Å
112	Y	93.9	Very high	80.7	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.1	173	-66.4	-96.5	0	0	0	109.6	R110 P143 C144 I145 T488 L519 A520 C522	R110-Y112 HydrophobicContact CB-CD2 4.3Å; R110-Y112 HydrophobicContact CB-CE2 3.68Å; Y112-P143 HydrophobicContact CD1-CB 4.28Å; Y112-C144 CarbonylContact C-O 3.56Å; Y112-C144 WeakPolarHBondContact CA-O 3.38Å; Y112-I145 HydrophobicContact CD1-CG1 3.95Å; Y112-I145 HydrophobicContact CE1-CD1 4.31Å; Y112-I145 HydrophobicContact CE1-CG1 3.42Å; Y112-I145 VanDerWaalsContact CE1-CG1 3.42Å; Y112-T488 HydrophobicContact CG-CG2 4.43Å; Y112-L519 CarbonylContact O-C 3.48Å; Y112-L519 WeakPolarHBondContact O-CA 3.5Å; Y112-A520 PolarHBondContact N-O 3.24Å; Y112-A520 PolarHBondContact O-N 3.44Å; Y112-C522 HydrophobicContact CD2-CB 4.19Å; Y112-C522 VanDerWaalsContact CD2-SG 3.56Å; Y112-C522 HydrophobicContact CE2-CB 4.07Å
113	G	94.8	Very high	83.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.5	171	0	0	0	0	0	111.8	C144 T518	G113-C144 PolarHBondContact N-O 3.09Å; G113-C144 PolarHBondContact O-N 3Å; G113-C144 PolarHBondContact O-SG 3.09Å; G113-T518 CarbonylContact C-O 3.59Å; G113-T518 VanDerWaalsContact CA-O 3.27Å; G113-T518 WeakPolarHBondContact CA-O 3.29Å
114	W	95.6	Very high	85.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	173.3	174.8	58.1	88.1	0	0	0	111.4	T140 K142 P143 L461 M463 N471 L472 G473 V486 H517 T518 A520	W114-T140 HydrophobicContact CB-CG2 3.99Å; W114-K142 WeakPolarHBondContact CB-O 3.42Å; W114-P143 HydrophobicContact CD2-CB 4.28Å; W114-P143 HydrophobicContact CD2-CG 4.05Å; W114-P143 HydrophobicContact CE3-CB 3.56Å; W114-P143 HydrophobicContact CE3-CG 3.75Å; W114-P143 HydrophobicContact CZ3-CB 3.89Å; W114-P143 HydrophobicContact CZ3-CG 4.04Å; W114-L461 HydrophobicContact CH2-CD2 3.71Å; W114-L461 HydrophobicContact CZ2-CD2 3.98Å; W114-M463 HydrophobicContact CZ2-SD 3.65Å; W114-N471 VanDerWaalsContact CD1-C 3.46Å; W114-N471 VanDerWaalsContact CD1-O 3.32Å; W114-N471 PolarHBondContact NE1-O 2.86Å; W114-L472 VanDerWaalsContact NE1-C 3.3Å; W114-G473 VanDerWaalsContact CD1-CA 3.41Å; W114-V486 HydrophobicContact CH2-CG1 4.46Å; W114-V486 HydrophobicContact CZ2-CG1 4.33Å; W114-H517 CarbonylContact O-C 3.47Å; W114-H517 VanDerWaalsContact O-CA 3.3Å; W114-H517 WeakPolarHBondContact O-CA 3.09Å; W114-H517 WeakPolarHBondContact O-CB 3.27Å; W114-T518 HydrophobicContact CH2-CG2 4Å; W114-T518 HydrophobicContact CZ2-CG2 3.35Å; W114-T518 PolarHBondContact N-O 3.21Å; W114-T518 PolarHBondContact O-N 2.78Å; W114-A520 HydrophobicContact CH2-CB 3.57Å; W114-A520 HydrophobicContact CZ3-CB 3.75Å
115	G	94.7	Very high	87.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.7	-148.7	-171	0	0	0	0	0	111.6	F139 T140 F469	G115-F139 CarbonylContact O-C 3.54Å; G115-F139 VanDerWaalsContact O-CA 3.23Å; G115-F139 WeakPolarHBondContact O-CA 3.18Å; G115-F139 WeakPolarHBondContact O-CB 3.35Å; G115-T140 PolarHBondContact N-O 2.92Å; G115-T140 PolarHBondContact O-N 2.92Å; G115-F469 CarbonylContact C-O 3.58Å; G115-F469 VanDerWaalsContact CA-O 3.29Å; G115-F469 WeakPolarHBondContact CA-O 3.5Å
116	Y	94	Very high	89.6	Confident	28 Å²	28	35.7 Å²	35.7	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	145.6	178.9	-159.6	-104	0	0	0	111	H30 A118 T119 E121 E138 F139 F469 C516	H30-Y116 AromaticContact CE1-CE1 3.51Å; H30-Y116 AromaticContact NE2-CD1 3.48Å; H30-Y116 WeakPolarHBondContact NE2-CD1 3.12Å; H30-Y116 AromaticContact NE2-CE1 3.42Å; H30-Y116 WeakPolarHBondContact NE2-CE1 3.26Å; Y116-A118 HydrophobicContact CD1-CB 4.38Å; Y116-A118 HydrophobicContact CE1-CB 3.61Å; Y116-A118 HydrophobicContact CE2-CB 4.28Å; Y116-T119 HydrophobicContact CD1-CG2 4.39Å; Y116-T119 HydrophobicContact CE1-CG2 3.96Å; Y116-E121 WeakPolarHBondContact CA-OE1 3.33Å; Y116-E121 WeakPolarHBondContact CB-OE1 3.44Å; Y116-E121 VanDerWaalsContact CD1-OE1 3.27Å; Y116-E121 WeakPolarHBondContact CD1-OE1 3.25Å; Y116-E121 WeakPolarHBondContact O-CG 3.23Å; Y116-E138 HydrophobicContact CD2-CG 4.34Å; Y116-E138 HydrophobicContact CE2-CG 3.59Å; Y116-F139 HydrophobicContact CD2-CB 4.3Å; Y116-F469 HydrophobicContact CD2-CB 4.22Å; Y116-F469 AromaticContact CD2-CD1 3.52Å; Y116-F469 HydrophobicContact CD2-CD1 3.52Å; Y116-F469 HydrophobicContact CD2-CD2 4.49Å; Y116-F469 AromaticContact CD2-CE1 3.96Å; Y116-F469 HydrophobicContact CD2-CE1 3.96Å; Y116-F469 AromaticContact CD2-CG 3.82Å; Y116-F469 HydrophobicContact CD2-CG 3.82Å; Y116-F469 HydrophobicContact CE2-CD1 4.03Å; Y116-F469 HydrophobicContact CE2-CE1 4.06Å; Y116-F469 HydrophobicContact CG-CD1 4.48Å; Y116-F469 HydrophobicContact CG-CG 4.39Å; Y116-C516 PolarHBondContact N-O 3.05Å
117	A	91.8	Very high	91	Very high	3 Å²	3	27 Å²	27	3%	0.025	13%	0.128	C	C	.	.			trans	-140.1	-19.6	-171.4	0	0	0	0	0	112.8	T119 G120 L122 F127 E138	A117-T119 PolarHBondContact O-N 2.82Å; A117-G120 PolarHBondContact O-N 3.07Å; A117-L122 HydrophobicContact CB-CD1 3.83Å; A117-L122 HydrophobicContact CB-CG 4.27Å; A117-F127 HydrophobicContact CB-CD2 4.03Å; A117-E138 PolarHBondContact N-O 2.86Å
118	A	90	Very high	92	Very high	31 Å²	31	22.6 Å²	22.6	26%	0.256	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.5	-173.6	0	0	0	0	0	114.2	Y116 L128 E138	Y116-A118 HydrophobicContact CD1-CB 4.38Å; Y116-A118 HydrophobicContact CE1-CB 3.61Å; Y116-A118 HydrophobicContact CE2-CB 4.28Å; A118-L128 VanDerWaalsContact O-CD2 3.31Å; A118-L128 WeakPolarHBondContact O-CD2 3.11Å; A118-E138 HydrophobicContact CB-CG 4.14Å; A118-E138 PolarHBondContact N-O 3.25Å
119	T	90.1	Very high	92.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	178.7	47	0	0	0	0	114.1	V26 Y116 A117 E121 G162 G182 V183 Y204	V26-T119 HydrophobicContact CG1-CG2 4.04Å; Y116-T119 HydrophobicContact CD1-CG2 4.39Å; Y116-T119 HydrophobicContact CE1-CG2 3.96Å; A117-T119 PolarHBondContact O-N 2.82Å; T119-E121 PolarHBondContact OG1-OE1 2.87Å; T119-G162 PolarHBondContact OG1-O 2.97Å; T119-G182 CarbonylContact O-C 3.56Å; T119-G182 VanDerWaalsContact O-C 3.32Å; T119-G182 WeakPolarHBondContact O-CA 3.32Å; T119-V183 HydrophobicContact CG2-CG2 3.7Å; T119-Y204 HydrophobicContact CG2-CE1 4.3Å; T119-Y204 WeakPolarHBondContact O-CD1 3.18Å
120	G	92.3	Very high	92.4	Very high	3 Å²	3	28 Å²	28	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	87.1	8.3	-175.7	0	0	0	0	0	114.1	A117 L122 G123 T181 G182	A117-G120 PolarHBondContact O-N 3.07Å; G120-L122 PolarHBondContact O-N 3.31Å; G120-G123 PolarHBondContact O-N 2.96Å; G120-T181 WeakPolarHBondContact O-CG2 3.46Å; G120-T181 PolarHBondContact O-OG1 2.91Å; G120-G182 VanDerWaalsContact C-CA 3.47Å; G120-G182 PolarHBondContact O-N 2.89Å
121	E	95.2	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.4	-175	68.6	-160.6	146.8	0	0	115	Y116 T119 G162 S164 T181 H517	Y116-E121 WeakPolarHBondContact CA-OE1 3.33Å; Y116-E121 WeakPolarHBondContact CB-OE1 3.44Å; Y116-E121 VanDerWaalsContact CD1-OE1 3.27Å; Y116-E121 WeakPolarHBondContact CD1-OE1 3.25Å; Y116-E121 WeakPolarHBondContact O-CG 3.23Å; T119-E121 PolarHBondContact OG1-OE1 2.87Å; E121-G162 VanDerWaalsContact OE2-C 3.27Å; E121-G162 WeakPolarHBondContact OE2-CA 3.49Å; E121-G162 PolarHBondContact OE2-N 3.19Å; E121-S164 VanDerWaalsContact O-CB 3.24Å; E121-S164 WeakPolarHBondContact O-CB 3.41Å; E121-S164 PolarHBondContact O-OG 3.07Å; E121-T181 WeakPolarHBondContact O-CG2 3.26Å; E121-H517 HydrophobicContact CG-CB 4.11Å; E121-H517 IonicContact OE2-CE1 3.74Å; E121-H517 PolarHBondContact OE2-CE1 3.46Å; E121-H517 IonicContact OE2-CG 3.27Å; E121-H517 IonicContact OE2-ND1 3.04Å; E121-H517 PolarHBondContact OE2-ND1 3.25Å; E121-H517 VanDerWaalsContact OE2-ND1 3.14Å; E121-H517 IonicContact OE2-NE2 3.42Å
122	L	95.2	Very high	91.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.1	171.6	-57.9	-174.1	0	0	0	113.1	A117 G120 I124 F127 T140 I146 H517 L519	A117-L122 HydrophobicContact CB-CD1 3.83Å; A117-L122 HydrophobicContact CB-CG 4.27Å; G120-L122 PolarHBondContact O-N 3.31Å; L122-I124 VanDerWaalsContact C-N 3.26Å; L122-I124 HydrophobicContact CB-CD1 4.4Å; L122-I124 HydrophobicContact CB-CG1 4.5Å; L122-I124 PolarHBondContact O-N 3.34Å; L122-F127 HydrophobicContact CD1-CD2 4.28Å; L122-F127 HydrophobicContact CD1-CE2 3.98Å; L122-T140 HydrophobicContact CD1-CG2 3.74Å; L122-I146 WeakPolarHBondContact O-CD1 3.14Å; L122-I146 WeakPolarHBondContact O-CG1 2.77Å; L122-I146 WeakPolarHBondContact O-CG2 3.32Å; L122-H517 HydrophobicContact CD2-CB 4.3Å; L122-L519 HydrophobicContact CD2-CD2 4.35Å
123	G	95.3	Very high	90	Very high	7 Å²	7	50.7 Å²	50.7	7%	0.072	24%	0.237	C	C	.	.			trans	64.1	27.9	179.3	0	0	0	0	0	114.7	G120 T181 I206 P208	G120-G123 PolarHBondContact O-N 2.96Å; G123-T181 VanDerWaalsContact CA-OG1 3.24Å; G123-T181 WeakPolarHBondContact CA-OG1 3.35Å; G123-I206 CarbonylContact C-O 3.53Å; G123-P208 WeakPolarHBondContact O-CD 3.43Å
124	I	94.4	Very high	89.4	Confident	14 Å²	14	57 Å²	57	7%	0.072	27%	0.266	C	S	.	.			trans	-108.7	96.5	176.3	-58.6	169.6	0	0	0	107.3	L122 E126 F127 I146	L122-I124 VanDerWaalsContact C-N 3.26Å; L122-I124 HydrophobicContact CB-CD1 4.4Å; L122-I124 HydrophobicContact CB-CG1 4.5Å; L122-I124 PolarHBondContact O-N 3.34Å; I124-E126 HydrophobicContact CG2-CB 4.3Å; I124-E126 PolarHBondContact O-N 2.87Å; I124-F127 HydrophobicContact CB-CD1 4.4Å; I124-F127 HydrophobicContact CB-CD2 3.89Å; I124-F127 HydrophobicContact CB-CE2 4.17Å; I124-F127 HydrophobicContact CB-CG 4.03Å; I124-F127 HydrophobicContact CD1-CD2 4.1Å; I124-F127 HydrophobicContact CD1-CE1 4.46Å; I124-F127 HydrophobicContact CD1-CE2 3.5Å; I124-F127 VanDerWaalsContact CD1-CE2 3.5Å; I124-F127 HydrophobicContact CD1-CZ 3.71Å; I124-F127 HydrophobicContact CG1-CE2 4.39Å; I124-F127 HydrophobicContact CG2-CD1 3.75Å; I124-F127 HydrophobicContact CG2-CD2 4.14Å; I124-F127 HydrophobicContact CG2-CE1 3.94Å; I124-F127 HydrophobicContact CG2-CE2 4.33Å; I124-F127 HydrophobicContact CG2-CG 3.86Å; I124-F127 HydrophobicContact CG2-CZ 4.23Å; I124-F127 WeakPolarHBondContact O-CB 3.33Å; I124-F127 PolarHBondContact O-N 2.88Å; I124-I146 HydrophobicContact CD1-CG1 4.2Å; I124-I146 HydrophobicContact CG1-CG1 4.45Å
125	K	92.6	Very high	88.9	Confident	96 Å²	96	59.2 Å²	59.2	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-32.2	-175.5	66.5	-179.1	-179.5	-176.6	0	112.4	F127 L128 R129 I206	K125-F127 PolarHBondContact O-N 3.01Å; K125-L128 PolarHBondContact O-N 3.46Å; K125-L128 VanDerWaalsContact O-N 3.07Å; K125-R129 PolarHBondContact O-N 3.44Å; K125-I206 WeakPolarHBondContact CA-O 3.34Å; K125-I206 HydrophobicContact CB-CD1 4.07Å; K125-I206 HydrophobicContact CB-CG1 4.14Å; K125-I206 PolarHBondContact N-O 2.96Å
126	E	91.5	Very high	88.5	Confident	88 Å²	88	61.1 Å²	61.1	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-23.7	179.9	-64.7	73.5	-160.2	0	0	112.3	I124 L128 R129 P130	I124-E126 HydrophobicContact CG2-CB 4.3Å; I124-E126 PolarHBondContact O-N 2.87Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-R129 CarbonylContact O-C 3.06Å; E126-P130 WeakPolarHBondContact O-CA 3.4Å; E126-P130 WeakPolarHBondContact O-CB 3.24Å
127	F	90.2	Very high	88.3	Confident	43 Å²	43	60.9 Å²	60.9	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-31.6	173.8	-71.9	-4.6	0	0	0	112.1	A117 L122 I124 K125 P136 L137 T140 C144	A117-F127 HydrophobicContact CB-CD2 4.03Å; L122-F127 HydrophobicContact CD1-CD2 4.28Å; L122-F127 HydrophobicContact CD1-CE2 3.98Å; I124-F127 HydrophobicContact CB-CD1 4.4Å; I124-F127 HydrophobicContact CB-CD2 3.89Å; I124-F127 HydrophobicContact CB-CE2 4.17Å; I124-F127 HydrophobicContact CB-CG 4.03Å; I124-F127 HydrophobicContact CD1-CD2 4.1Å; I124-F127 HydrophobicContact CD1-CE1 4.46Å; I124-F127 HydrophobicContact CD1-CE2 3.5Å; I124-F127 VanDerWaalsContact CD1-CE2 3.5Å; I124-F127 HydrophobicContact CD1-CZ 3.71Å; I124-F127 HydrophobicContact CG1-CE2 4.39Å; I124-F127 HydrophobicContact CG2-CD1 3.75Å; I124-F127 HydrophobicContact CG2-CD2 4.14Å; I124-F127 HydrophobicContact CG2-CE1 3.94Å; I124-F127 HydrophobicContact CG2-CE2 4.33Å; I124-F127 HydrophobicContact CG2-CG 3.86Å; I124-F127 HydrophobicContact CG2-CZ 4.23Å; I124-F127 WeakPolarHBondContact O-CB 3.33Å; I124-F127 PolarHBondContact O-N 2.88Å; K125-F127 PolarHBondContact O-N 3.01Å; F127-P136 CarbonylContact O-C 3.6Å; F127-P136 VanDerWaalsContact O-CA 3.32Å; F127-P136 WeakPolarHBondContact O-CA 3.21Å; F127-L137 HydrophobicContact CB-CB 4.11Å; F127-L137 HydrophobicContact CD1-CD2 3.87Å; F127-L137 HydrophobicContact CD2-CD2 3.91Å; F127-L137 HydrophobicContact CE1-CD2 3.95Å; F127-L137 HydrophobicContact CE2-CD2 3.97Å; F127-L137 HydrophobicContact CG-CB 4.32Å; F127-L137 HydrophobicContact CG-CD2 3.86Å; F127-L137 HydrophobicContact CZ-CD2 3.99Å; F127-L137 PolarHBondContact O-N 3.1Å; F127-T140 HydrophobicContact CE2-CG2 4.35Å; F127-C144 HydrophobicContact CZ-CB 4.21Å
128	L	89.8	Confident	88.1	Confident	29 Å²	29	64.2 Å²	64.2	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-99.5	-27.9	-177.9	-62.7	176.4	0	0	0	112.9	A118 K125 E126 P130 I206	A118-L128 VanDerWaalsContact O-CD2 3.31Å; A118-L128 WeakPolarHBondContact O-CD2 3.11Å; K125-L128 PolarHBondContact O-N 3.46Å; K125-L128 VanDerWaalsContact O-N 3.07Å; E126-L128 VanDerWaalsContact C-N 3.32Å; L128-P130 VanDerWaalsContact C-CD 3.48Å; L128-I206 HydrophobicContact CB-CG2 4.45Å; L128-I206 HydrophobicContact CD1-CB 3.8Å; L128-I206 HydrophobicContact CD1-CG2 3.33Å
129	R	89.2	Confident	88.1	Confident	189 Å²	189	64.8 Å²	64.8	71%	0.713	31%	0.306	S	S	*	.	S	Bend	trans	-126.9	69.5	176.6	-64.3	-175.4	178.8	-177.2	-2	108.9	K125 E126 I206	K125-R129 PolarHBondContact O-N 3.44Å; E126-R129 CarbonylContact O-C 3.06Å; R129-I206 HydrophobicContact CG-CD1 4.21Å
130	P	86.2	Confident	88.2	Confident	33 Å²	33	65 Å²	65	21%	0.214	31%	0.308	C	S	.	.			trans	-67.6	157	-179.2	31.6	-37.7	0	0	0	111	E126 L128 E134	E126-P130 WeakPolarHBondContact O-CA 3.4Å; E126-P130 WeakPolarHBondContact O-CB 3.24Å; L128-P130 VanDerWaalsContact C-CD 3.48Å; P130-E134 HydrophobicContact CB-CB 3.86Å; P130-E134 HydrophobicContact CG-CB 4.05Å; P130-E134 WeakPolarHBondContact CG-O 3.01Å
131	T	84.9	Confident	88.1	Confident	88 Å²	88	66 Å²	66	54%	0.54	31%	0.312	S	S	.	.	S	Bend	trans	-87.1	161	172.8	53.1	0	0	0	0	109.7
132	Y	78.8	Confident	87.9	Confident	206 Å²	206	69.4 Å²	69.4	81%	0.808	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	45.1	171.7	-51.2	-77.1	0	0	0	117.5	E134	Y132-E134 PolarHBondContact O-N 3.1Å
133	H	63.2	Low	87.7	Confident	203 Å²	203	70.2 Å²	70.2	94%	0.94	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	16.8	174.1	-54.3	-73.3	0	0	0	115.5
134	E	81.3	Confident	87.5	Confident	132 Å²	132	71 Å²	71	62%	0.617	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-68.9	156.2	171	-62.4	-178.3	163.8	0	0	110.9	P130 Y132	P130-E134 HydrophobicContact CB-CB 3.86Å; P130-E134 HydrophobicContact CG-CB 4.05Å; P130-E134 WeakPolarHBondContact CG-O 3.01Å; Y132-E134 PolarHBondContact O-N 3.1Å
135	S	85.1	Confident	87.4	Confident	47 Å²	47	72 Å²	72	33%	0.329	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-79.8	142.3	173.5	56.2	0	0	0	0	110.4	L137	S135-L137 PolarHBondContact O-N 2.9Å
136	P	87.7	Confident	87.4	Confident	39 Å²	39	67.4 Å²	67.4	25%	0.253	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-50.7	139.3	169	-26.7	35	0	0	0	112	F127	F127-P136 CarbonylContact O-C 3.6Å; F127-P136 VanDerWaalsContact O-CA 3.32Å; F127-P136 WeakPolarHBondContact O-CA 3.21Å
137	L	88.5	Confident	87.4	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.12	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-84.9	120.1	179.3	-174.1	70	0	0	0	109.9	F127 S135 F139	F127-L137 HydrophobicContact CB-CB 4.11Å; F127-L137 HydrophobicContact CD1-CD2 3.87Å; F127-L137 HydrophobicContact CD2-CD2 3.91Å; F127-L137 HydrophobicContact CE1-CD2 3.95Å; F127-L137 HydrophobicContact CE2-CD2 3.97Å; F127-L137 HydrophobicContact CG-CB 4.32Å; F127-L137 HydrophobicContact CG-CD2 3.86Å; F127-L137 HydrophobicContact CZ-CD2 3.99Å; F127-L137 PolarHBondContact O-N 3.1Å; S135-L137 PolarHBondContact O-N 2.9Å; L137-F139 WeakPolarHBondContact CD1-O 3.38Å; L137-F139 WeakPolarHBondContact CG-O 3.34Å
138	E	88.3	Confident	87.6	Confident	74 Å²	74	65.1 Å²	65.1	35%	0.346	32%	0.316	S	S	.	.			trans	-76.1	-42	179.5	-170.6	179.7	-175.2	0	0	112.2	Y116 A117 A118	Y116-E138 HydrophobicContact CD2-CG 4.34Å; Y116-E138 HydrophobicContact CE2-CG 3.59Å; A117-E138 PolarHBondContact N-O 2.86Å; A118-E138 HydrophobicContact CB-CG 4.14Å; A118-E138 PolarHBondContact N-O 3.25Å
139	F	91.1	Very high	87.7	Confident	42 Å²	42	63.8 Å²	63.8	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157.6	-179.9	58.8	-94.1	0	0	0	111.6	A81 G115 Y116 L137 F469	A81-F139 HydrophobicContact CB-CE2 4.02Å; A81-F139 HydrophobicContact CB-CZ 4.12Å; G115-F139 CarbonylContact O-C 3.54Å; G115-F139 VanDerWaalsContact O-CA 3.23Å; G115-F139 WeakPolarHBondContact O-CA 3.18Å; G115-F139 WeakPolarHBondContact O-CB 3.35Å; Y116-F139 HydrophobicContact CD2-CB 4.3Å; L137-F139 WeakPolarHBondContact CD1-O 3.38Å; L137-F139 WeakPolarHBondContact CG-O 3.34Å; F139-F469 HydrophobicContact CB-CB 4.33Å; F139-F469 WeakPolarHBondContact CB-O 3.31Å
140	T	92.1	Very high	87.7	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.043	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.6	172.1	179.9	0	0	0	0	111.6	W114 G115 L122 F127 K142 C144	W114-T140 HydrophobicContact CB-CG2 3.99Å; G115-T140 PolarHBondContact N-O 2.92Å; G115-T140 PolarHBondContact O-N 2.92Å; L122-T140 HydrophobicContact CD1-CG2 3.74Å; F127-T140 HydrophobicContact CE2-CG2 4.35Å; T140-K142 VanDerWaalsContact C-N 3.28Å; T140-K142 PolarHBondContact O-N 2.92Å; T140-K142 PolarHBondContact OG1-N 3.24Å; T140-K142 PolarHBondContact OG1-O 3.27Å; T140-C144 WeakPolarHBondContact CG2-SG 3.17Å
141	H	90.3	Very high	87.8	Confident	25 Å²	25	60.7 Å²	60.7	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-4.4	175.4	65.3	158.7	0	0	0	115	S82 G473 L474 G475	S82-H141 PolarHBondContact O-NE2 3.34Å; H141-G473 CarbonylContact O-C 3.59Å; H141-G473 VanDerWaalsContact O-CA 3.3Å; H141-G473 WeakPolarHBondContact O-CA 3.35Å; H141-L474 PolarHBondContact O-N 2.89Å; H141-G475 PolarHBondContact CE1-O 2.76Å; H141-G475 WeakPolarHBondContact ND1-CA 3.09Å; H141-G475 PolarHBondContact ND1-O 3.14Å; H141-G475 WeakPolarHBondContact O-CA 3.46Å; H141-G475 PolarHBondContact O-N 2.81Å
142	K	89.9	Confident	88.2	Confident	71 Å²	71	57.8 Å²	57.8	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.7	-177.8	-71.2	171	-175.9	161.3	0	109.6	W114 T140 C144	W114-K142 WeakPolarHBondContact CB-O 3.42Å; T140-K142 VanDerWaalsContact C-N 3.28Å; T140-K142 PolarHBondContact O-N 2.92Å; T140-K142 PolarHBondContact OG1-N 3.24Å; T140-K142 PolarHBondContact OG1-O 3.27Å; K142-C144 PolarHBondContact O-N 2.66Å
143	P	92.1	Very high	88.8	Confident	18 Å²	18	51.6 Å²	51.6	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	124.9	170.9	-25.5	34.7	0	0	0	111.4	Y112 W114 G473 V486 T488	Y112-P143 HydrophobicContact CD1-CB 4.28Å; W114-P143 HydrophobicContact CD2-CB 4.28Å; W114-P143 HydrophobicContact CD2-CG 4.05Å; W114-P143 HydrophobicContact CE3-CB 3.56Å; W114-P143 HydrophobicContact CE3-CG 3.75Å; W114-P143 HydrophobicContact CZ3-CB 3.89Å; W114-P143 HydrophobicContact CZ3-CG 4.04Å; P143-G473 WeakPolarHBondContact CD-O 2.76Å; P143-V486 HydrophobicContact CG-CG1 3.57Å; P143-T488 HydrophobicContact CB-CG2 3.91Å; P143-T488 HydrophobicContact CG-CG2 4.05Å
144	C	90.4	Very high	90.4	Very high	24 Å²	24	42.1 Å²	42.1	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.1	171.3	40.9	0	0	0	0	110.3	Y112 G113 F127 T140 K142 I146	Y112-C144 CarbonylContact C-O 3.56Å; Y112-C144 WeakPolarHBondContact CA-O 3.38Å; G113-C144 PolarHBondContact N-O 3.09Å; G113-C144 PolarHBondContact O-N 3Å; G113-C144 PolarHBondContact O-SG 3.09Å; F127-C144 HydrophobicContact CZ-CB 4.21Å; T140-C144 WeakPolarHBondContact CG2-SG 3.17Å; K142-C144 PolarHBondContact O-N 2.66Å; C144-I146 PolarHBondContact O-N 2.93Å
145	I	91	Very high	91	Very high	34 Å²	34	38.7 Å²	38.7	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.2	174.8	-64.4	171.9	0	0	0	108.1	Y112 P147	Y112-I145 HydrophobicContact CD1-CG1 3.95Å; Y112-I145 HydrophobicContact CE1-CD1 4.31Å; Y112-I145 HydrophobicContact CE1-CG1 3.42Å; Y112-I145 VanDerWaalsContact CE1-CG1 3.42Å; I145-P147 WeakPolarHBondContact O-CD 3.22Å
146	I	93.1	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.			trans	-90.7	109.1	169.7	-63.7	175.8	0	0	0	107.3	L111 L122 I124 C144 F148 G149 L519	L111-I146 HydrophobicContact CB-CB 4.32Å; L111-I146 HydrophobicContact CD2-CB 3.85Å; L111-I146 HydrophobicContact CD2-CD1 3.98Å; L111-I146 HydrophobicContact CD2-CG1 4.49Å; L111-I146 HydrophobicContact CD2-CG2 3.81Å; L111-I146 HydrophobicContact CG-CB 3.96Å; L111-I146 HydrophobicContact CG-CD1 3.99Å; L111-I146 HydrophobicContact CG-CG1 4.4Å; L111-I146 HydrophobicContact CG-CG2 4.48Å; L111-I146 PolarHBondContact O-N 2.85Å; L122-I146 WeakPolarHBondContact O-CD1 3.14Å; L122-I146 WeakPolarHBondContact O-CG1 2.77Å; L122-I146 WeakPolarHBondContact O-CG2 3.32Å; I124-I146 HydrophobicContact CD1-CG1 4.2Å; I124-I146 HydrophobicContact CG1-CG1 4.45Å; C144-I146 PolarHBondContact O-N 2.93Å; I146-F148 HydrophobicContact CG2-CB 4.01Å; I146-F148 PolarHBondContact O-N 3.28Å; I146-G149 PolarHBondContact O-N 3.24Å; I146-L519 HydrophobicContact CD1-CD2 3.42Å; I146-L519 VanDerWaalsContact CD1-CD2 3.42Å
147	P	92.3	Very high	92.1	Very high	61 Å²	61	35.9 Å²	35.9	40%	0.396	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.9	-172.6	-26.5	35.9	0	0	0	114	I145 G149 D150	I145-P147 WeakPolarHBondContact O-CD 3.22Å; P147-G149 VanDerWaalsContact C-N 3.28Å; P147-G149 PolarHBondContact O-N 2.87Å; P147-D150 WeakPolarHBondContact O-CB 3.35Å; P147-D150 PolarHBondContact O-N 2.85Å; P147-D150 VanDerWaalsContact O-N 3.07Å
148	F	93.9	Very high	92.5	Very high	22 Å²	22	35.2 Å²	35.2	10%	0.096	20%	0.196	C	C	.	.	H	α-helix	trans	-52.5	-45.1	174.8	177.6	-99.5	0	0	0	112.5	I146 D150 N151 H152 V154 F166 A168 Y179 P208	I146-F148 HydrophobicContact CG2-CB 4.01Å; I146-F148 PolarHBondContact O-N 3.28Å; F148-D150 PolarHBondContact O-N 3.04Å; F148-N151 PolarHBondContact O-N 3.41Å; F148-H152 HydrophobicContact CD1-CB 4.39Å; F148-H152 HydrophobicContact CD2-CB 4.5Å; F148-H152 AromaticContact CD2-CD2 3.39Å; F148-H152 WeakPolarHBondContact CD2-CD2 3.36Å; F148-H152 HydrophobicContact CE1-CB 3.94Å; F148-H152 HydrophobicContact CE2-CB 4.05Å; F148-H152 AromaticContact CE2-CD2 3.26Å; F148-H152 WeakPolarHBondContact CE2-CD2 3.22Å; F148-H152 AromaticContact CE2-CG 3.62Å; F148-H152 AromaticContact CE2-NE2 3.88Å; F148-H152 HydrophobicContact CZ-CB 3.73Å; F148-H152 AromaticContact CZ-CD2 3.88Å; F148-H152 AromaticContact CZ-CG 3.78Å; F148-H152 WeakPolarHBondContact O-CB 3.07Å; F148-H152 PolarHBondContact O-CD2 3.27Å; F148-H152 PolarHBondContact O-N 3.19Å; F148-V154 HydrophobicContact CD1-CG2 4.48Å; F148-V154 HydrophobicContact CE1-CG2 4.4Å; F148-F166 HydrophobicContact CD1-CD2 4.28Å; F148-F166 HydrophobicContact CE1-CB 4.18Å; F148-F166 HydrophobicContact CE1-CD2 4.2Å; F148-F166 HydrophobicContact CE1-CG 4.36Å; F148-A168 HydrophobicContact CE1-CB 3.8Å; F148-A168 HydrophobicContact CZ-CB 3.99Å; F148-Y179 HydrophobicContact CE1-CD2 4.39Å; F148-Y179 HydrophobicContact CE1-CG 4.3Å; F148-Y179 AromaticContact CE2-CD1 3.87Å; F148-Y179 HydrophobicContact CE2-CD1 3.87Å; F148-Y179 HydrophobicContact CE2-CD2 4.5Å; F148-Y179 HydrophobicContact CE2-CE1 4.3Å; F148-Y179 HydrophobicContact CE2-CG 4.01Å; F148-Y179 AromaticContact CZ-CD1 3.75Å; F148-Y179 HydrophobicContact CZ-CD1 3.75Å; F148-Y179 AromaticContact CZ-CD2 3.61Å; F148-Y179 HydrophobicContact CZ-CD2 3.61Å; F148-Y179 HydrophobicContact CZ-CE1 4.29Å; F148-Y179 HydrophobicContact CZ-CE2 4.1Å; F148-Y179 AromaticContact CZ-CG 3.41Å; F148-Y179 HydrophobicContact CZ-CG 3.41Å; F148-Y179 VanDerWaalsContact CZ-CG 3.41Å; F148-P208 HydrophobicContact CB-CB 4.49Å; F148-P208 HydrophobicContact CB-CG 3.78Å; F148-P208 HydrophobicContact CD1-CB 4.27Å; F148-P208 HydrophobicContact CD1-CG 4.22Å; F148-P208 HydrophobicContact CD2-CB 3.64Å; F148-P208 HydrophobicContact CD2-CG 3.86Å; F148-P208 HydrophobicContact CE1-CB 4.46Å; F148-P208 HydrophobicContact CE2-CB 3.86Å; F148-P208 HydrophobicContact CG-CB 3.87Å; F148-P208 HydrophobicContact CG-CG 3.68Å; F148-P208 HydrophobicContact CZ-CB 4.28Å
149	G	92.1	Very high	93	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-17	-178.6	0	0	0	0	0	114.4	I146 P147	I146-G149 PolarHBondContact O-N 3.24Å; P147-G149 VanDerWaalsContact C-N 3.28Å; P147-G149 PolarHBondContact O-N 2.87Å
150	D	88.7	Confident	93.2	Very high	35 Å²	35	30.5 Å²	30.5	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-78.2	-27.5	177.6	-75.4	-5.6	0	0	0	113	K108 R110 P147 F148	K108-D150 WeakPolarHBondContact CE-O 3.26Å; K108-D150 PolarHBondContact NZ-O 2.85Å; R110-D150 WeakPolarHBondContact CD-OD1 3.2Å; R110-D150 IonicContact CZ-OD1 4Å; R110-D150 IonicContact CZ-OD2 3.91Å; R110-D150 IonicContact NE-OD1 3.47Å; R110-D150 IonicContact NH1-OD1 3.87Å; R110-D150 PolarHBondContact NH1-OD1 3.46Å; R110-D150 IonicContact NH1-OD2 3.3Å; R110-D150 PolarHBondContact NH1-OD2 3.09Å; P147-D150 WeakPolarHBondContact O-CB 3.35Å; P147-D150 PolarHBondContact O-N 2.85Å; P147-D150 VanDerWaalsContact O-N 3.07Å; F148-D150 PolarHBondContact O-N 3.04Å
151	N	89.9	Confident	93.2	Very high	121 Å²	121	30.3 Å²	30.3	65%	0.647	18%	0.176	S	C	*	.	H	α-helix	trans	-100.9	-26.2	-179.6	-63.8	-32.6	0	0	0	111.9	F148	F148-N151 PolarHBondContact O-N 3.41Å
152	H	92.7	Very high	93.3	Very high	28 Å²	28	29.2 Å²	29.2	13%	0.13	17%	0.17	C	C	.	.	S	Bend	trans	-121.5	108.1	-177.1	-60.7	-76.6	0	0	0	109.8	F148 V154 A168 K169 S171	F148-H152 HydrophobicContact CD1-CB 4.39Å; F148-H152 HydrophobicContact CD2-CB 4.5Å; F148-H152 AromaticContact CD2-CD2 3.39Å; F148-H152 WeakPolarHBondContact CD2-CD2 3.36Å; F148-H152 HydrophobicContact CE1-CB 3.94Å; F148-H152 HydrophobicContact CE2-CB 4.05Å; F148-H152 AromaticContact CE2-CD2 3.26Å; F148-H152 WeakPolarHBondContact CE2-CD2 3.22Å; F148-H152 AromaticContact CE2-CG 3.62Å; F148-H152 AromaticContact CE2-NE2 3.88Å; F148-H152 HydrophobicContact CZ-CB 3.73Å; F148-H152 AromaticContact CZ-CD2 3.88Å; F148-H152 AromaticContact CZ-CG 3.78Å; F148-H152 WeakPolarHBondContact O-CB 3.07Å; F148-H152 PolarHBondContact O-CD2 3.27Å; F148-H152 PolarHBondContact O-N 3.19Å; H152-V154 WeakPolarHBondContact O-CG2 3.47Å; H152-V154 PolarHBondContact O-N 3.24Å; H152-A168 HydrophobicContact CB-CB 3.94Å; H152-K169 WeakPolarHBondContact CB-O 3.41Å; H152-K169 PolarHBondContact ND1-O 2.83Å; H152-S171 PolarHBondContact CE1-OG 2.98Å
153	P	92	Very high	93.7	Very high	76 Å²	76	25.8 Å²	25.8	49%	0.494	16%	0.156	S	C	.	.			trans	-56.9	107.4	175.5	-25.6	33.9	0	0	0	111.2	A168 K169	P153-A168 WeakPolarHBondContact O-CA 3.44Å; P153-K169 PolarHBondContact O-N 2.72Å
154	V	95.2	Very high	94	Very high	4 Å²	4	25 Å²	25	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.4	-179.6	-176.6	0	0	0	0	109.9	L111 F148 H152 S156 I157 F166 V167 A168 R521	L111-V154 HydrophobicContact CD2-CG2 4.3Å; F148-V154 HydrophobicContact CD1-CG2 4.48Å; F148-V154 HydrophobicContact CE1-CG2 4.4Å; H152-V154 WeakPolarHBondContact O-CG2 3.47Å; H152-V154 PolarHBondContact O-N 3.24Å; V154-S156 WeakPolarHBondContact CG1-O 3.24Å; V154-I157 HydrophobicContact CG1-CG2 3.7Å; V154-F166 HydrophobicContact CG1-CB 4.38Å; V154-V167 CarbonylContact C-O 3.59Å; V154-V167 WeakPolarHBondContact CA-O 3.35Å; V154-A168 HydrophobicContact CG2-CB 4.1Å; V154-R521 WeakPolarHBondContact O-CD 3.47Å
155	S	95.2	Very high	94.4	Very high	59 Å²	59	23.8 Å²	23.8	41%	0.413	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-27	176.7	54.2	0	0	0	0	113.8	V167	S155-V167 PolarHBondContact N-O 3.35Å; S155-V167 WeakPolarHBondContact OG-CG1 3.43Å; S155-V167 PolarHBondContact OG-O 2.74Å
156	S	96.8	Very high	94.7	Very high	20 Å²	20	22.2 Å²	22.2	14%	0.14	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.2	176.6	-165.6	0	0	0	0	111.7	V154 F166 V167 Q510	V154-S156 WeakPolarHBondContact CG1-O 3.24Å; S156-F166 WeakPolarHBondContact O-CA 3.29Å; S156-V167 PolarHBondContact N-O 3.1Å; S156-V167 PolarHBondContact O-N 2.85Å; S156-Q510 PolarHBondContact OG-NE2 3.04Å
157	I	98.2	Very high	94.9	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.036	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.9	-178.5	54.7	171.5	0	0	0	110.2	L111 V154 V165 F166 Q510 A512 L519 R521	L111-I157 HydrophobicContact CD1-CG2 3.85Å; V154-I157 HydrophobicContact CG1-CG2 3.7Å; I157-V165 CarbonylContact C-O 3.53Å; I157-V165 WeakPolarHBondContact CA-O 3.44Å; I157-F166 HydrophobicContact CG2-CD1 4.02Å; I157-Q510 HydrophobicContact CD1-CB 4.45Å; I157-Q510 HydrophobicContact CD1-CG 4.16Å; I157-Q510 HydrophobicContact CG1-CB 4.49Å; I157-Q510 HydrophobicContact CG1-CG 3.82Å; I157-A512 HydrophobicContact CB-CB 4.2Å; I157-A512 HydrophobicContact CD1-CB 3.94Å; I157-A512 HydrophobicContact CG1-CB 3.82Å; I157-L519 HydrophobicContact CB-CD1 4.44Å; I157-L519 HydrophobicContact CD1-CB 3.89Å; I157-L519 WeakPolarHBondContact CD1-O 3.44Å; I157-R521 HydrophobicContact CD1-CB 4.18Å
158	A	98.3	Very high	95.1	Very high	9 Å²	9	19.3 Å²	19.3	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.3	172.8	0	0	0	0	0	110.2	S164 V165 V226 C228	A158-S164 WeakPolarHBondContact O-CA 3.46Å; A158-V165 PolarHBondContact N-O 2.82Å; A158-V165 PolarHBondContact O-N 2.77Å; A158-V226 HydrophobicContact CB-CG2 3.92Å; A158-C228 HydrophobicContact CB-CB 4.3Å; A158-C228 VanDerWaalsContact CB-SG 3.56Å
159	C	97.3	Very high	95.1	Very high	15 Å²	15	23 Å²	23	10%	0.101	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.2	179.6	-67.5	0	0	0	0	108.9	C228 A512 G514	C159-C228 VanDerWaalsContact C-CB 3.49Å; C159-A512 HydrophobicContact CB-CB 4.36Å; C159-A512 VanDerWaalsContact SG-C 3.58Å; C159-A512 VanDerWaalsContact SG-CB 3.57Å; C159-A512 PolarHBondContact SG-O 2.62Å; C159-A512 VanDerWaalsContact SG-O 3.39Å; C159-G514 VanDerWaalsContact CB-N 3.27Å
160	G	94.9	Very high	94.8	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	14%	0.137	C	C	.	.			trans	-106.6	-163.3	169.5	0	0	0	0	0	111.5	G162 Y163 G229 P515 H517	G160-G162 PolarHBondContact O-N 3.49Å; G160-Y163 PolarHBondContact N-O 3.43Å; G160-G229 WeakPolarHBondContact CA-O 3.36Å; G160-P515 WeakPolarHBondContact O-CD 3.45Å; G160-H517 PolarHBondContact O-CE1 2.8Å
161	V	93.2	Very high	94.4	Very high	3 Å²	3	27 Å²	27	2%	0.018	16%	0.164	C	C	.	.	S	Bend	trans	-82.7	98.6	176.1	-177.7	0	0	0	0	109.9	H30 F31 Y163 G229 K230 M286 P515	H30-V161 HydrophobicContact CB-CG1 3.42Å; H30-V161 VanDerWaalsContact CB-CG1 3.42Å; F31-V161 HydrophobicContact CD1-CG1 4Å; F31-V161 HydrophobicContact CE1-CB 4.37Å; F31-V161 HydrophobicContact CE1-CG1 4.23Å; V161-Y163 WeakPolarHBondContact O-CD1 3.46Å; V161-G229 PolarHBondContact N-O 2.84Å; V161-K230 HydrophobicContact CG2-CB 4.19Å; V161-K230 HydrophobicContact CG2-CG 4.21Å; V161-M286 HydrophobicContact CG2-SD 4.41Å; V161-P515 HydrophobicContact CB-CG 4.23Å; V161-P515 HydrophobicContact CG1-CG 4.4Å; V161-P515 HydrophobicContact CG2-CG 3.66Å
162	G	92.8	Very high	93.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	85.7	9	178.5	0	0	0	0	0	114.5	T119 E121 G160 G182 V183	T119-G162 PolarHBondContact OG1-O 2.97Å; E121-G162 VanDerWaalsContact OE2-C 3.27Å; E121-G162 WeakPolarHBondContact OE2-CA 3.49Å; E121-G162 PolarHBondContact OE2-N 3.19Å; G160-G162 PolarHBondContact O-N 3.49Å; G162-G182 WeakPolarHBondContact O-CA 3.27Å; G162-V183 VanDerWaalsContact O-CG2 3.3Å; G162-V183 WeakPolarHBondContact O-CG2 3.48Å; G162-V183 PolarHBondContact O-N 3.44Å
163	Y	97	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.1	-178.7	71.2	-81	0	0	0	112.5	G160 V161 V165 T181 Q188 L189 C228 G229 H232 T233 H517	G160-Y163 PolarHBondContact N-O 3.43Å; V161-Y163 WeakPolarHBondContact O-CD1 3.46Å; Y163-V165 HydrophobicContact CD2-CG2 4.23Å; Y163-V165 HydrophobicContact CE2-CG2 4.25Å; Y163-T181 CarbonylContact C-O 3.58Å; Y163-T181 VanDerWaalsContact CA-O 3.28Å; Y163-T181 WeakPolarHBondContact CA-O 2.93Å; Y163-T181 VanDerWaalsContact CB-O 3.32Å; Y163-T181 WeakPolarHBondContact CB-O 3.2Å; Y163-Q188 HydrophobicContact CD1-CG 4.22Å; Y163-Q188 HydrophobicContact CD2-CG 4.3Å; Y163-Q188 HydrophobicContact CE1-CG 4.03Å; Y163-Q188 HydrophobicContact CE2-CG 4.07Å; Y163-Q188 HydrophobicContact CG-CG 4.37Å; Y163-L189 HydrophobicContact CD2-CD2 3.56Å; Y163-L189 HydrophobicContact CD2-CG 4.3Å; Y163-L189 HydrophobicContact CE2-CD2 4.2Å; Y163-L189 HydrophobicContact CG-CD2 4.38Å; Y163-C228 HydrophobicContact CE2-CB 3.71Å; Y163-C228 WeakPolarHBondContact OH-CB 3.27Å; Y163-G229 WeakPolarHBondContact CE1-O 3.49Å; Y163-G229 PolarHBondContact OH-N 2.94Å; Y163-G229 PolarHBondContact OH-O 3.25Å; Y163-H232 PolarHBondContact OH-O 3.05Å; Y163-T233 WeakPolarHBondContact CE2-OG1 3.46Å; Y163-H517 PolarHBondContact O-CE1 3.16Å; Y163-H517 PolarHBondContact O-NE2 3.37Å
164	S	98.5	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.5	180	-63.4	0	0	0	0	111.1	E121 A158 G180 T181 H517	E121-S164 VanDerWaalsContact O-CB 3.24Å; E121-S164 WeakPolarHBondContact O-CB 3.41Å; E121-S164 PolarHBondContact O-OG 3.07Å; A158-S164 WeakPolarHBondContact O-CA 3.46Å; S164-G180 WeakPolarHBondContact O-CA 3.47Å; S164-T181 PolarHBondContact N-O 3.41Å; S164-T181 PolarHBondContact O-N 3.13Å; S164-H517 PolarHBondContact OG-CD2 3.07Å; S164-H517 PolarHBondContact OG-NE2 3.15Å
165	V	98.6	Very high	92.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.1	173.5	179.8	0	0	0	0	109.8	I157 A158 Y163 A178 Y179 L189 I211 V226 C228 T233	I157-V165 CarbonylContact C-O 3.53Å; I157-V165 WeakPolarHBondContact CA-O 3.44Å; A158-V165 PolarHBondContact N-O 2.82Å; A158-V165 PolarHBondContact O-N 2.77Å; Y163-V165 HydrophobicContact CD2-CG2 4.23Å; Y163-V165 HydrophobicContact CE2-CG2 4.25Å; V165-A178 HydrophobicContact CG1-CB 4.49Å; V165-Y179 CarbonylContact C-O 3.58Å; V165-Y179 VanDerWaalsContact CA-O 3.3Å; V165-Y179 WeakPolarHBondContact CA-O 3.38Å; V165-L189 HydrophobicContact CG2-CD2 3.63Å; V165-I211 HydrophobicContact CG1-CD1 3.96Å; V165-I211 HydrophobicContact CG2-CD1 4.11Å; V165-V226 HydrophobicContact CG1-CB 3.98Å; V165-V226 HydrophobicContact CG1-CG1 3.89Å; V165-V226 HydrophobicContact CG1-CG2 4.19Å; V165-C228 WeakPolarHBondContact CG2-SG 3.27Å; V165-T233 HydrophobicContact CG1-CG2 4.46Å; V165-T233 HydrophobicContact CG2-CG2 3.95Å
166	F	98	Very high	92.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	-179.7	-40.9	-76.4	0	0	0	109.2	L111 F148 V154 S156 I157 A178 Y179 T181 P208 L519	L111-F166 HydrophobicContact CD2-CD1 3.77Å; L111-F166 HydrophobicContact CD2-CE1 3.59Å; L111-F166 HydrophobicContact CD2-CZ 4.29Å; F148-F166 HydrophobicContact CD1-CD2 4.28Å; F148-F166 HydrophobicContact CE1-CB 4.18Å; F148-F166 HydrophobicContact CE1-CD2 4.2Å; F148-F166 HydrophobicContact CE1-CG 4.36Å; V154-F166 HydrophobicContact CG1-CB 4.38Å; S156-F166 WeakPolarHBondContact O-CA 3.29Å; I157-F166 HydrophobicContact CG2-CD1 4.02Å; F166-A178 CarbonylContact O-C 3.59Å; F166-A178 WeakPolarHBondContact O-CA 3.34Å; F166-Y179 PolarHBondContact N-O 3.27Å; F166-Y179 PolarHBondContact O-N 2.92Å; F166-T181 HydrophobicContact CE2-CG2 3.67Å; F166-T181 HydrophobicContact CZ-CG2 3.9Å; F166-P208 HydrophobicContact CD2-CB 4.2Å; F166-P208 HydrophobicContact CD2-CG 4.35Å; F166-P208 HydrophobicContact CE2-CB 4.06Å; F166-P208 HydrophobicContact CE2-CG 3.79Å; F166-L519 HydrophobicContact CD1-CD1 4.24Å; F166-L519 HydrophobicContact CE1-CD1 3.5Å; F166-L519 HydrophobicContact CE1-CD2 4.34Å; F166-L519 HydrophobicContact CZ-CD1 4.29Å
167	V	97.9	Very high	92.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.2	162.7	-176.7	0	0	0	0	107.2	V154 S155 S156 P176 T177 V223 V226	V154-V167 CarbonylContact C-O 3.59Å; V154-V167 WeakPolarHBondContact CA-O 3.35Å; S155-V167 PolarHBondContact N-O 3.35Å; S155-V167 WeakPolarHBondContact OG-CG1 3.43Å; S155-V167 PolarHBondContact OG-O 2.74Å; S156-V167 PolarHBondContact N-O 3.1Å; S156-V167 PolarHBondContact O-N 2.85Å; V167-P176 HydrophobicContact CG1-CB 3.7Å; V167-T177 CarbonylContact C-O 3.56Å; V167-T177 WeakPolarHBondContact CA-O 3.41Å; V167-V223 HydrophobicContact CG1-CB 4.15Å; V167-V223 HydrophobicContact CG1-CG1 4.03Å; V167-V223 HydrophobicContact CG2-CG1 3.68Å; V167-V226 HydrophobicContact CG2-CB 4.22Å; V167-V226 HydrophobicContact CG2-CG1 3.46Å; V167-V226 VanDerWaalsContact CG2-CG1 3.46Å; V167-V226 HydrophobicContact CG2-CG2 3.73Å
168	A	96.5	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.8	-175.5	0	0	0	0	0	112.1	F148 H152 P153 V154 P176 T177 Y179	F148-A168 HydrophobicContact CE1-CB 3.8Å; F148-A168 HydrophobicContact CZ-CB 3.99Å; H152-A168 HydrophobicContact CB-CB 3.94Å; P153-A168 WeakPolarHBondContact O-CA 3.44Å; V154-A168 HydrophobicContact CG2-CB 4.1Å; A168-P176 WeakPolarHBondContact O-CA 3.15Å; A168-T177 PolarHBondContact N-O 3.23Å; A168-T177 PolarHBondContact O-N 3.48Å; A168-Y179 HydrophobicContact CB-CD2 4Å; A168-Y179 HydrophobicContact CB-CE2 4.16Å; A168-Y179 WeakPolarHBondContact O-CE2 3.32Å
169	K	93.2	Very high	92.5	Very high	99 Å²	99	39.4 Å²	39.4	43%	0.43	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.1	170.9	-65.5	-175.9	178.6	-173.4	0	110.1	H152 P153 P176	H152-K169 WeakPolarHBondContact CB-O 3.41Å; H152-K169 PolarHBondContact ND1-O 2.83Å; P153-K169 PolarHBondContact O-N 2.72Å; K169-P176 HydrophobicContact CG-CG 4.05Å
170	G	86.2	Confident	92.5	Very high	13 Å²	13	38.7 Å²	38.7	13%	0.134	19%	0.189	C	C	.	.			trans	-70.2	169	174	0	0	0	0	0	112.7	K172 N173 Y179	G170-K172 VanDerWaalsContact C-N 3.34Å; G170-N173 PolarHBondContact N-O 3.02Å; G170-N173 VanDerWaalsContact O-O 3.14Å; G170-Y179 WeakPolarHBondContact CA-OH 3.3Å
171	S	80.8	Confident	92.7	Very high	109 Å²	109	38.5 Å²	38.5	76%	0.762	19%	0.187	S	C	*	.	S	Bend	trans	-70.6	-33.2	172.3	-50.3	0	0	0	0	111.9	H152	H152-S171 PolarHBondContact CE1-OG 2.98Å
172	K	77.4	Confident	92.8	Very high	195 Å²	195	38.4 Å²	38.4	85%	0.848	19%	0.186	S	C	*	.	S	Bend	trans	-92.3	-40.3	176.9	-63.1	-177.8	-179.5	179.1	0	112	G170	G170-K172 VanDerWaalsContact C-N 3.34Å
173	N	74.1	Confident	92.9	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	19%	0.186	S	C	.	.			trans	-84.4	118.7	-174.7	-60.9	-9.7	0	0	0	110.3	G170 L175 E210	G170-N173 PolarHBondContact N-O 3.02Å; G170-N173 VanDerWaalsContact O-O 3.14Å; N173-L175 PolarHBondContact O-N 2.84Å; N173-E210 PolarHBondContact ND2-OE1 3.13Å; N173-E210 PolarHBondContact ND2-OE2 3.18Å
174	R	84.9	Confident	92.7	Very high	228 Å²	228	38.3 Å²	38.3	86%	0.86	19%	0.186	S	C	*	.	S	Bend	trans	-70	-25.1	176.4	-68.4	-174.9	179	-175.2	1.1	112.6
175	L	93.3	Very high	92.2	Very high	56 Å²	56	38.4 Å²	38.4	29%	0.293	19%	0.186	S	C	.	.	S	Bend	trans	-96.2	147.1	-178.5	-61.7	-178.7	0	0	0	111.5	N173 T177 D219 S220 R222	N173-L175 PolarHBondContact O-N 2.84Å; L175-T177 PolarHBondContact O-N 3.23Å; L175-D219 VanDerWaalsContact CD1-O 3.27Å; L175-D219 WeakPolarHBondContact CD1-O 3.39Å; L175-S220 VanDerWaalsContact CD1-C 3.49Å; L175-R222 HydrophobicContact CB-CB 4.31Å
176	P	96.1	Very high	91.9	Very high	24 Å²	24	40 Å²	40	16%	0.156	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.1	173.3	-20.8	30.8	0	0	0	112.3	V167 A168 K169 V223	V167-P176 HydrophobicContact CG1-CB 3.7Å; A168-P176 WeakPolarHBondContact O-CA 3.15Å; K169-P176 HydrophobicContact CG-CG 4.05Å; P176-V223 PolarHBondContact O-N 3.42Å
177	T	96.4	Very high	91.7	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.08	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	172	175.8	-172.6	0	0	0	0	109.7	V167 A168 L175 Y179 E210	V167-T177 CarbonylContact C-O 3.56Å; V167-T177 WeakPolarHBondContact CA-O 3.41Å; A168-T177 PolarHBondContact N-O 3.23Å; A168-T177 PolarHBondContact O-N 3.48Å; L175-T177 PolarHBondContact O-N 3.23Å; T177-Y179 HydrophobicContact CG2-CD2 4.05Å; T177-Y179 HydrophobicContact CG2-CE2 3.22Å; T177-Y179 VanDerWaalsContact CG2-CZ 3.5Å; T177-Y179 WeakPolarHBondContact CG2-OH 3.29Å; T177-E210 HydrophobicContact CG2-CG 4.11Å; T177-E210 WeakPolarHBondContact CG2-OE1 3.19Å; T177-E210 PolarHBondContact OG1-OE1 3.44Å; T177-E210 VanDerWaalsContact OG1-OE1 3.06Å
178	A	97.4	Very high	91.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.3	-179.3	0	0	0	0	0	111.4	V165 F166 E210 I211 V223 V226 I235	V165-A178 HydrophobicContact CG1-CB 4.49Å; F166-A178 CarbonylContact O-C 3.59Å; F166-A178 WeakPolarHBondContact O-CA 3.34Å; A178-E210 CarbonylContact O-C 3.57Å; A178-E210 WeakPolarHBondContact O-CA 3.4Å; A178-I211 HydrophobicContact CB-CB 4.24Å; A178-I211 HydrophobicContact CB-CD1 4.16Å; A178-I211 HydrophobicContact CB-CG1 4.4Å; A178-I211 PolarHBondContact O-N 2.77Å; A178-V223 HydrophobicContact CB-CG1 4.42Å; A178-V223 HydrophobicContact CB-CG2 4.38Å; A178-V226 HydrophobicContact CB-CG1 4.45Å; A178-I235 HydrophobicContact CB-CD1 3.69Å; A178-I235 HydrophobicContact CB-CG2 4.35Å
179	Y	97.9	Very high	91.5	Very high	17 Å²	17	40.3 Å²	40.3	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136	174.4	-66.2	-94.9	0	0	0	109.7	F148 V165 F166 A168 G170 T177 R209 E210	F148-Y179 HydrophobicContact CE1-CD2 4.39Å; F148-Y179 HydrophobicContact CE1-CG 4.3Å; F148-Y179 AromaticContact CE2-CD1 3.87Å; F148-Y179 HydrophobicContact CE2-CD1 3.87Å; F148-Y179 HydrophobicContact CE2-CD2 4.5Å; F148-Y179 HydrophobicContact CE2-CE1 4.3Å; F148-Y179 HydrophobicContact CE2-CG 4.01Å; F148-Y179 AromaticContact CZ-CD1 3.75Å; F148-Y179 HydrophobicContact CZ-CD1 3.75Å; F148-Y179 AromaticContact CZ-CD2 3.61Å; F148-Y179 HydrophobicContact CZ-CD2 3.61Å; F148-Y179 HydrophobicContact CZ-CE1 4.29Å; F148-Y179 HydrophobicContact CZ-CE2 4.1Å; F148-Y179 AromaticContact CZ-CG 3.41Å; F148-Y179 HydrophobicContact CZ-CG 3.41Å; F148-Y179 VanDerWaalsContact CZ-CG 3.41Å; V165-Y179 CarbonylContact C-O 3.58Å; V165-Y179 VanDerWaalsContact CA-O 3.3Å; V165-Y179 WeakPolarHBondContact CA-O 3.38Å; F166-Y179 PolarHBondContact N-O 3.27Å; F166-Y179 PolarHBondContact O-N 2.92Å; A168-Y179 HydrophobicContact CB-CD2 4Å; A168-Y179 HydrophobicContact CB-CE2 4.16Å; A168-Y179 WeakPolarHBondContact O-CE2 3.32Å; G170-Y179 WeakPolarHBondContact CA-OH 3.3Å; T177-Y179 HydrophobicContact CG2-CD2 4.05Å; T177-Y179 HydrophobicContact CG2-CE2 3.22Å; T177-Y179 VanDerWaalsContact CG2-CZ 3.5Å; T177-Y179 WeakPolarHBondContact CG2-OH 3.29Å; Y179-R209 CarbonylContact C-O 3.5Å; Y179-R209 WeakPolarHBondContact CA-O 3.42Å; Y179-E210 HydrophobicContact CD1-CB 4Å; Y179-E210 HydrophobicContact CE1-CB 3.68Å; Y179-E210 HydrophobicContact CE1-CG 4.35Å
180	G	98	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.4	-179	0	0	0	0	0	112.6	S164 P208 R209	S164-G180 WeakPolarHBondContact O-CA 3.47Å; G180-P208 CarbonylContact O-C 3.33Å; G180-P208 WeakPolarHBondContact O-CA 3.41Å; G180-R209 PolarHBondContact N-O 2.87Å; G180-R209 PolarHBondContact O-N 2.87Å
181	T	98	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.2	170.2	-165.2	0	0	0	0	110.4	G120 E121 G123 Y163 S164 F166 L189 L205 P208	G120-T181 WeakPolarHBondContact O-CG2 3.46Å; G120-T181 PolarHBondContact O-OG1 2.91Å; E121-T181 WeakPolarHBondContact O-CG2 3.26Å; G123-T181 VanDerWaalsContact CA-OG1 3.24Å; G123-T181 WeakPolarHBondContact CA-OG1 3.35Å; Y163-T181 CarbonylContact C-O 3.58Å; Y163-T181 VanDerWaalsContact CA-O 3.28Å; Y163-T181 WeakPolarHBondContact CA-O 2.93Å; Y163-T181 VanDerWaalsContact CB-O 3.32Å; Y163-T181 WeakPolarHBondContact CB-O 3.2Å; S164-T181 PolarHBondContact N-O 3.41Å; S164-T181 PolarHBondContact O-N 3.13Å; F166-T181 HydrophobicContact CE2-CG2 3.67Å; F166-T181 HydrophobicContact CZ-CG2 3.9Å; T181-L189 VanDerWaalsContact C-CD1 3.5Å; T181-L205 PolarHBondContact OG1-O 3.24Å; T181-P208 HydrophobicContact CG2-CG 4.37Å
182	G	96.5	Very high	92.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.8	-152.2	178.9	0	0	0	0	0	114	T119 G120 G162 N184 Y204 L205	T119-G182 CarbonylContact O-C 3.56Å; T119-G182 VanDerWaalsContact O-C 3.32Å; T119-G182 WeakPolarHBondContact O-CA 3.32Å; G120-G182 VanDerWaalsContact C-CA 3.47Å; G120-G182 PolarHBondContact O-N 2.89Å; G162-G182 WeakPolarHBondContact O-CA 3.27Å; G182-N184 PolarHBondContact O-N 3.05Å; G182-Y204 WeakPolarHBondContact O-CA 3.48Å; G182-L205 WeakPolarHBondContact CA-O 3.3Å; G182-L205 PolarHBondContact N-O 3.07Å; G182-L205 PolarHBondContact O-N 2.88Å
183	V	93.5	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	131.9	175.2	-178.6	0	0	0	0	110.3	Q27 T119 G162 A185 Q188 Y204	Q27-V183 HydrophobicContact CB-CG1 4.17Å; Q27-V183 HydrophobicContact CG-CG1 3.93Å; T119-V183 HydrophobicContact CG2-CG2 3.7Å; G162-V183 VanDerWaalsContact O-CG2 3.3Å; G162-V183 WeakPolarHBondContact O-CG2 3.48Å; G162-V183 PolarHBondContact O-N 3.44Å; V183-A185 HydrophobicContact CG1-CB 4.36Å; V183-Q188 PolarHBondContact O-NE2 2.96Å; V183-Y204 HydrophobicContact CB-CE1 4.43Å; V183-Y204 HydrophobicContact CG2-CD1 4.34Å; V183-Y204 HydrophobicContact CG2-CE1 3.82Å
184	N	93.4	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.			trans	-136.6	24.2	178.6	-163.5	40.3	0	0	0	112.5	G182 Y186 H187 Q188 L189 G190 I202 Q203	G182-N184 PolarHBondContact O-N 3.05Å; N184-Y186 PolarHBondContact O-N 2.99Å; N184-Y186 VanDerWaalsContact O-N 3.16Å; N184-H187 WeakPolarHBondContact O-CA 3.33Å; N184-H187 PolarHBondContact O-CD2 2.78Å; N184-H187 VanDerWaalsContact O-CD2 3.32Å; N184-H187 PolarHBondContact O-N 2.61Å; N184-H187 VanDerWaalsContact OD1-C 3.23Å; N184-H187 WeakPolarHBondContact OD1-CA 3.11Å; N184-Q188 PolarHBondContact OD1-N 2.7Å; N184-L189 HydrophobicContact CB-CB 4.5Å; N184-L189 HydrophobicContact CB-CD1 4.32Å; N184-L189 WeakPolarHBondContact OD1-CA 3.25Å; N184-L189 VanDerWaalsContact OD1-CB 3.28Å; N184-L189 WeakPolarHBondContact OD1-CB 3.42Å; N184-L189 PolarHBondContact OD1-N 3.33Å; N184-G190 PolarHBondContact ND2-O 3.48Å; N184-I202 WeakPolarHBondContact CB-O 3.08Å; N184-I202 PolarHBondContact ND2-O 2.89Å; N184-Q203 CarbonylContact C-O 3.47Å; N184-Q203 WeakPolarHBondContact CA-O 3.38Å; N184-Q203 PolarHBondContact N-O 2.86Å
185	A	88.7	Confident	93.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21	-175.5	0	0	0	0	0	114.2	V23 V183	V23-A185 HydrophobicContact CG1-CB 3.48Å; V23-A185 VanDerWaalsContact CG1-CB 3.48Å; V183-A185 HydrophobicContact CG1-CB 4.36Å
186	Y	91.3	Very high	93	Very high	35 Å²	35	29.8 Å²	29.8	14%	0.137	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.9	174	-67.2	-98.7	0	0	0	112.4	Q27 F31 N184 Q188 A231 G246 Y263	Q27-Y186 VanDerWaalsContact OE1-CE2 3.31Å; F31-Y186 AromaticContact CE2-CE2 3.78Å; F31-Y186 HydrophobicContact CE2-CE2 3.78Å; F31-Y186 AromaticContact CZ-CE2 3.94Å; F31-Y186 HydrophobicContact CZ-CE2 3.94Å; N184-Y186 PolarHBondContact O-N 2.99Å; N184-Y186 VanDerWaalsContact O-N 3.16Å; Y186-Q188 PolarHBondContact O-N 2.82Å; Y186-A231 HydrophobicContact CD2-CB 3.93Å; Y186-A231 HydrophobicContact CE2-CB 4.34Å; Y186-A231 HydrophobicContact CG-CB 4.03Å; Y186-G246 WeakPolarHBondContact O-CA 3.25Å; Y186-Y263 AromaticContact CD1-CD1 4Å; Y186-Y263 HydrophobicContact CD1-CD1 4Å; Y186-Y263 AromaticContact CD1-CD2 3.43Å; Y186-Y263 HydrophobicContact CD1-CD2 3.43Å; Y186-Y263 VanDerWaalsContact CD1-CD2 3.43Å; Y186-Y263 HydrophobicContact CD1-CE1 4.42Å; Y186-Y263 AromaticContact CD1-CE2 3.91Å; Y186-Y263 HydrophobicContact CD1-CE2 3.91Å; Y186-Y263 AromaticContact CD1-CG 3.48Å; Y186-Y263 HydrophobicContact CD1-CG 3.48Å; Y186-Y263 VanDerWaalsContact CD1-CG 3.48Å; Y186-Y263 AromaticContact CE1-CD2 3.67Å; Y186-Y263 HydrophobicContact CE1-CD2 3.67Å; Y186-Y263 HydrophobicContact CE1-CE2 4.02Å; Y186-Y263 HydrophobicContact CE1-CG 4.2Å; Y186-Y263 HydrophobicContact CG-CG 4.31Å
187	H	93.5	Very high	92.4	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	16%	0.155	C	C	.	.			trans	55.2	33.2	-168.7	-61.5	154.3	0	0	0	113.7	N184 L189 G190 F191 Q200 Y263 T264 C266	N184-H187 WeakPolarHBondContact O-CA 3.33Å; N184-H187 PolarHBondContact O-CD2 2.78Å; N184-H187 VanDerWaalsContact O-CD2 3.32Å; N184-H187 PolarHBondContact O-N 2.61Å; N184-H187 VanDerWaalsContact OD1-C 3.23Å; N184-H187 WeakPolarHBondContact OD1-CA 3.11Å; H187-L189 PolarHBondContact O-N 2.98Å; H187-L189 VanDerWaalsContact O-N 3.14Å; H187-G190 WeakPolarHBondContact O-CA 3.27Å; H187-G190 PolarHBondContact O-N 2.85Å; H187-F191 AromaticContact CE1-CD2 3.38Å; H187-F191 WeakPolarHBondContact CE1-CD2 3.14Å; H187-F191 AromaticContact CE1-CE2 3.84Å; H187-F191 AromaticContact ND1-CD2 3.68Å; H187-Q200 PolarHBondContact NE2-O 2.83Å; H187-Y263 PolarHBondContact CE1-O 2.87Å; H187-Y263 PolarHBondContact ND1-O 2.65Å; H187-T264 VanDerWaalsContact CE1-C 3.42Å; H187-T264 PolarHBondContact CE1-O 2.86Å; H187-C266 WeakPolarHBondContact CB-O 3.19Å; H187-C266 PolarHBondContact ND1-O 3.22Å
188	Q	94.7	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	1.6	174.8	72.4	-89.6	27.4	0	0	114.5	Y163 V183 N184 Y186 A231 T233 L245	Y163-Q188 HydrophobicContact CD1-CG 4.22Å; Y163-Q188 HydrophobicContact CD2-CG 4.3Å; Y163-Q188 HydrophobicContact CE1-CG 4.03Å; Y163-Q188 HydrophobicContact CE2-CG 4.07Å; Y163-Q188 HydrophobicContact CG-CG 4.37Å; V183-Q188 PolarHBondContact O-NE2 2.96Å; N184-Q188 PolarHBondContact OD1-N 2.7Å; Y186-Q188 PolarHBondContact O-N 2.82Å; Q188-A231 VanDerWaalsContact CB-O 3.26Å; Q188-A231 WeakPolarHBondContact CB-O 3.39Å; Q188-T233 VanDerWaalsContact O-CB 3.28Å; Q188-T233 WeakPolarHBondContact O-CB 3.47Å; Q188-T233 PolarHBondContact O-OG1 3.15Å; Q188-L245 WeakPolarHBondContact O-CD1 3.1Å
189	L	96.1	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	16.5	168.2	-53.3	174.6	0	0	0	111	Y163 V165 T181 N184 H187 H192 L205 I211	Y163-L189 HydrophobicContact CD2-CD2 3.56Å; Y163-L189 HydrophobicContact CD2-CG 4.3Å; Y163-L189 HydrophobicContact CE2-CD2 4.2Å; Y163-L189 HydrophobicContact CG-CD2 4.38Å; V165-L189 HydrophobicContact CG2-CD2 3.63Å; T181-L189 VanDerWaalsContact C-CD1 3.5Å; N184-L189 HydrophobicContact CB-CB 4.5Å; N184-L189 HydrophobicContact CB-CD1 4.32Å; N184-L189 WeakPolarHBondContact OD1-CA 3.25Å; N184-L189 VanDerWaalsContact OD1-CB 3.28Å; N184-L189 WeakPolarHBondContact OD1-CB 3.42Å; N184-L189 PolarHBondContact OD1-N 3.33Å; H187-L189 PolarHBondContact O-N 2.98Å; H187-L189 VanDerWaalsContact O-N 3.14Å; L189-H192 PolarHBondContact O-NE2 2.76Å; L189-L205 HydrophobicContact CB-CD1 3.82Å; L189-L205 HydrophobicContact CD1-CB 4.47Å; L189-L205 HydrophobicContact CD1-CD1 3.84Å; L189-L205 HydrophobicContact CD1-CG 4.42Å; L189-I211 HydrophobicContact CD2-CD1 4.33Å
190	G	94.1	Very high	90.3	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.021	21%	0.211	C	C	.	.			trans	86.1	167.6	-176.6	0	0	0	0	0	113.9	N184 H187 H192	N184-G190 PolarHBondContact ND2-O 3.48Å; H187-G190 WeakPolarHBondContact O-CA 3.27Å; H187-G190 PolarHBondContact O-N 2.85Å; G190-H192 PolarHBondContact O-CD2 2.96Å; G190-H192 VanDerWaalsContact O-CD2 3.26Å
191	F	92.5	Very high	89.6	Confident	56 Å²	56	40.8 Å²	40.8	25%	0.246	21%	0.213	C	C	.	.			trans	-82	120.6	175.6	-175.8	-88.7	0	0	0	110.2	H187 P193 P198	H187-F191 AromaticContact CE1-CD2 3.38Å; H187-F191 WeakPolarHBondContact CE1-CD2 3.14Å; H187-F191 AromaticContact CE1-CE2 3.84Å; H187-F191 AromaticContact ND1-CD2 3.68Å; F191-P193 HydrophobicContact CE1-CB 4.26Å; F191-P198 WeakPolarHBondContact CZ-O 2.83Å
192	H	92	Very high	89.1	Confident	20 Å²	20	41.9 Å²	41.9	9%	0.093	22%	0.219	C	C	.	.			trans	-120.9	116.8	174.5	-63	-85.1	0	0	0	107.7	L189 G190 H194 G201 I202 E210	L189-H192 PolarHBondContact O-NE2 2.76Å; G190-H192 PolarHBondContact O-CD2 2.96Å; G190-H192 VanDerWaalsContact O-CD2 3.26Å; H192-H194 PolarHBondContact O-N 2.88Å; H192-G201 CarbonylContact O-C 3.53Å; H192-G201 WeakPolarHBondContact O-CA 3.15Å; H192-I202 HydrophobicContact CB-CB 4.2Å; H192-I202 HydrophobicContact CB-CD1 3.98Å; H192-I202 HydrophobicContact CB-CG1 4.28Å; H192-I202 WeakPolarHBondContact O-CG1 3.33Å; H192-I202 PolarHBondContact O-N 2.87Å; H192-E210 PolarHBondContact CE1-O 2.9Å; H192-E210 VanDerWaalsContact CE1-O 3.27Å
193	P	88.6	Confident	88.7	Confident	81 Å²	81	44.1 Å²	44.1	53%	0.526	23%	0.23	S	C	.	.			trans	-63.1	134.1	-176.7	24.9	-33	0	0	0	111	F191	F191-P193 HydrophobicContact CE1-CB 4.26Å
194	H	84	Confident	88.6	Confident	66 Å²	66	45.7 Å²	45.7	31%	0.306	24%	0.236	S	C	.	.			trans	-84.1	149.5	173.6	-175.5	-115.9	0	0	0	110.4	H192 I196 S197 P198 I202	H192-H194 PolarHBondContact O-N 2.88Å; H194-I196 PolarHBondContact ND1-N 2.85Å; H194-I196 PolarHBondContact O-N 2.9Å; H194-S197 PolarHBondContact ND1-N 3.07Å; H194-S197 PolarHBondContact ND1-OG 2.98Å; H194-P198 WeakPolarHBondContact O-CA 3.47Å; H194-P198 WeakPolarHBondContact O-CG 3.42Å; H194-I202 HydrophobicContact CB-CG1 4.01Å
195	N	85.3	Confident	88.6	Confident	161 Å²	161	45.8 Å²	45.8	86%	0.861	24%	0.236	S	C	*	.	S	Bend	trans	-68.8	-33.3	-177.7	-70.2	-13.8	0	0	0	113
196	I	84.6	Confident	88.8	Confident	145 Å²	145	47.4 Å²	47.4	74%	0.744	24%	0.244	S	C	*	.	S	Bend	trans	-95.9	-33.9	-175.5	-54.8	174.8	0	0	0	111.6	H194	H194-I196 PolarHBondContact ND1-N 2.85Å; H194-I196 PolarHBondContact O-N 2.9Å
197	S	83.3	Confident	89	Confident	21 Å²	21	49.2 Å²	49.2	15%	0.147	25%	0.254	C	S	.	.			trans	-132	67.9	-178.1	48	0	0	0	0	110.3	H194 E199 Q200	H194-S197 PolarHBondContact ND1-N 3.07Å; H194-S197 PolarHBondContact ND1-OG 2.98Å; S197-E199 WeakPolarHBondContact CB-OE1 3.29Å; S197-E199 PolarHBondContact O-N 2.92Å; S197-Q200 PolarHBondContact O-N 2.98Å
198	P	83.7	Confident	89.2	Confident	66 Å²	66	50 Å²	50	43%	0.429	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-54	-31.5	-173.7	-24.4	33.3	0	0	0	113.5	F191 H194	F191-P198 WeakPolarHBondContact CZ-O 2.83Å; H194-P198 WeakPolarHBondContact O-CA 3.47Å; H194-P198 WeakPolarHBondContact O-CG 3.42Å
199	E	83.9	Confident	89.2	Confident	107 Å²	107	54.1 Å²	54.1	50%	0.5	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.4	-32.1	179	67.6	-68.3	158.5	0	0	114.2	S197 R265	S197-E199 WeakPolarHBondContact CB-OE1 3.29Å; S197-E199 PolarHBondContact O-N 2.92Å; E199-R265 WeakPolarHBondContact O-CG 3.36Å
200	Q	79.7	Confident	89.2	Confident	86 Å²	86	57.8 Å²	57.8	40%	0.402	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-87.8	-8	-176.6	-66.6	-177.8	-13.6	0	0	113.8	H187 S197 T264	H187-Q200 PolarHBondContact NE2-O 2.83Å; S197-Q200 PolarHBondContact O-N 2.98Å; Q200-T264 CarbonylContact C-O 3.14Å; Q200-T264 VanDerWaalsContact CA-O 3.29Å; Q200-T264 WeakPolarHBondContact CA-O 2.77Å
201	G	84.1	Confident	89.3	Confident	4 Å²	4	57.8 Å²	57.8	4%	0.041	29%	0.292	C	S	.	.			trans	59.9	176	-174	0	0	0	0	0	114.4	H192	H192-G201 CarbonylContact O-C 3.53Å; H192-G201 WeakPolarHBondContact O-CA 3.15Å
202	I	87.9	Confident	89.3	Confident	24 Å²	24	58 Å²	58	12%	0.123	30%	0.299	C	S	.	.			trans	-87.5	120.7	177.1	-62.2	170.9	0	0	0	109	N184 H192 H194 Y204 L205	N184-I202 WeakPolarHBondContact CB-O 3.08Å; N184-I202 PolarHBondContact ND2-O 2.89Å; H192-I202 HydrophobicContact CB-CB 4.2Å; H192-I202 HydrophobicContact CB-CD1 3.98Å; H192-I202 HydrophobicContact CB-CG1 4.28Å; H192-I202 WeakPolarHBondContact O-CG1 3.33Å; H192-I202 PolarHBondContact O-N 2.87Å; H194-I202 HydrophobicContact CB-CG1 4.01Å; I202-Y204 WeakPolarHBondContact CG2-O 3.48Å; I202-L205 HydrophobicContact CB-CD2 4.29Å; I202-L205 HydrophobicContact CG2-CD2 3.85Å
203	Q	88.3	Confident	89.4	Confident	47 Å²	47	58.5 Å²	58.5	22%	0.22	30%	0.302	C	S	.	.	S	Bend	trans	-86.3	-16.6	-178.7	-64	-178.4	-2.8	0	0	114.4	V23 N184	V23-Q203 HydrophobicContact CG1-CB 4.03Å; V23-Q203 HydrophobicContact CG2-CB 4.29Å; N184-Q203 CarbonylContact C-O 3.47Å; N184-Q203 WeakPolarHBondContact CA-O 3.38Å; N184-Q203 PolarHBondContact N-O 2.86Å
204	Y	90.3	Very high	89.6	Confident	32 Å²	32	58.4 Å²	58.4	13%	0.125	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.7	173.8	-69.4	-77.7	0	0	0	110.9	L20 V23 T119 G182 V183 I202	L20-Y204 HydrophobicContact CD1-CD2 4.27Å; V23-Y204 WeakPolarHBondContact CA-OH 3.48Å; V23-Y204 HydrophobicContact CB-CE2 3.96Å; V23-Y204 HydrophobicContact CG1-CE2 3.75Å; V23-Y204 HydrophobicContact CG2-CD2 4.18Å; V23-Y204 HydrophobicContact CG2-CE2 3.38Å; T119-Y204 HydrophobicContact CG2-CE1 4.3Å; T119-Y204 WeakPolarHBondContact O-CD1 3.18Å; G182-Y204 WeakPolarHBondContact O-CA 3.48Å; V183-Y204 HydrophobicContact CB-CE1 4.43Å; V183-Y204 HydrophobicContact CG2-CD1 4.34Å; V183-Y204 HydrophobicContact CG2-CE1 3.82Å; I202-Y204 WeakPolarHBondContact CG2-O 3.48Å
205	L	94.3	Very high	90.1	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112	170.6	-63.9	-178.3	0	0	0	108.5	T181 G182 L189 I202 E207 R209	T181-L205 PolarHBondContact OG1-O 3.24Å; G182-L205 WeakPolarHBondContact CA-O 3.3Å; G182-L205 PolarHBondContact N-O 3.07Å; G182-L205 PolarHBondContact O-N 2.88Å; L189-L205 HydrophobicContact CB-CD1 3.82Å; L189-L205 HydrophobicContact CD1-CB 4.47Å; L189-L205 HydrophobicContact CD1-CD1 3.84Å; L189-L205 HydrophobicContact CD1-CG 4.42Å; I202-L205 HydrophobicContact CB-CD2 4.29Å; I202-L205 HydrophobicContact CG2-CD2 3.85Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-R209 HydrophobicContact CD1-CB 4.22Å; L205-R209 HydrophobicContact CD2-CG 4.18Å
206	I	93.6	Very high	90.6	Very high	35 Å²	35	58.8 Å²	58.8	18%	0.179	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-4.7	178.8	67.3	173.1	0	0	0	113	G123 K125 L128 R129	G123-I206 CarbonylContact C-O 3.53Å; K125-I206 WeakPolarHBondContact CA-O 3.34Å; K125-I206 HydrophobicContact CB-CD1 4.07Å; K125-I206 HydrophobicContact CB-CG1 4.14Å; K125-I206 PolarHBondContact N-O 2.96Å; L128-I206 HydrophobicContact CB-CG2 4.45Å; L128-I206 HydrophobicContact CD1-CB 3.8Å; L128-I206 HydrophobicContact CD1-CG2 3.33Å; R129-I206 HydrophobicContact CG-CD1 4.21Å
207	E	94.6	Very high	91	Very high	73 Å²	73	57.6 Å²	57.6	34%	0.341	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.1	176.5	66.2	-170.3	171.3	0	0	108.5	L205 R209	L205-E207 VanDerWaalsContact C-N 3.33Å; E207-R209 HydrophobicContact CG-CG 4.47Å; E207-R209 PolarHBondContact O-N 3.27Å; E207-R209 IonicContact OE1-CZ 3.95Å; E207-R209 IonicContact OE1-NE 3.42Å; E207-R209 IonicContact OE1-NH2 3.36Å; E207-R209 PolarHBondContact OE1-NH2 3.04Å
208	P	96.8	Very high	91.4	Very high	21 Å²	21	60.2 Å²	60.2	14%	0.136	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.1	179.3	-24.6	37.1	0	0	0	112.4	G123 F148 F166 G180 T181	G123-P208 WeakPolarHBondContact O-CD 3.43Å; F148-P208 HydrophobicContact CB-CB 4.49Å; F148-P208 HydrophobicContact CB-CG 3.78Å; F148-P208 HydrophobicContact CD1-CB 4.27Å; F148-P208 HydrophobicContact CD1-CG 4.22Å; F148-P208 HydrophobicContact CD2-CB 3.64Å; F148-P208 HydrophobicContact CD2-CG 3.86Å; F148-P208 HydrophobicContact CE1-CB 4.46Å; F148-P208 HydrophobicContact CE2-CB 3.86Å; F148-P208 HydrophobicContact CG-CB 3.87Å; F148-P208 HydrophobicContact CG-CG 3.68Å; F148-P208 HydrophobicContact CZ-CB 4.28Å; F166-P208 HydrophobicContact CD2-CB 4.2Å; F166-P208 HydrophobicContact CD2-CG 4.35Å; F166-P208 HydrophobicContact CE2-CB 4.06Å; F166-P208 HydrophobicContact CE2-CG 3.79Å; G180-P208 CarbonylContact O-C 3.33Å; G180-P208 WeakPolarHBondContact O-CA 3.41Å; T181-P208 HydrophobicContact CG2-CG 4.37Å
209	R	95.8	Very high	91.8	Very high	87 Å²	87	64 Å²	64	33%	0.328	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.4	174	-60.5	-163	176.1	-174.3	-5.6	111	Y179 G180 L205 E207 I211	Y179-R209 CarbonylContact C-O 3.5Å; Y179-R209 WeakPolarHBondContact CA-O 3.42Å; G180-R209 PolarHBondContact N-O 2.87Å; G180-R209 PolarHBondContact O-N 2.87Å; L205-R209 HydrophobicContact CD1-CB 4.22Å; L205-R209 HydrophobicContact CD2-CG 4.18Å; E207-R209 HydrophobicContact CG-CG 4.47Å; E207-R209 PolarHBondContact O-N 3.27Å; E207-R209 IonicContact OE1-CZ 3.95Å; E207-R209 IonicContact OE1-NE 3.42Å; E207-R209 IonicContact OE1-NH2 3.36Å; E207-R209 PolarHBondContact OE1-NH2 3.04Å; R209-I211 PolarHBondContact O-N 3.09Å
210	E	95.3	Very high	92.2	Very high	78 Å²	78	61.2 Å²	61.2	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132	178.1	-175.2	164.6	-171.7	0	0	110.1	N173 T177 A178 Y179 H192 P212	N173-E210 PolarHBondContact ND2-OE1 3.13Å; N173-E210 PolarHBondContact ND2-OE2 3.18Å; T177-E210 HydrophobicContact CG2-CG 4.11Å; T177-E210 WeakPolarHBondContact CG2-OE1 3.19Å; T177-E210 PolarHBondContact OG1-OE1 3.44Å; T177-E210 VanDerWaalsContact OG1-OE1 3.06Å; A178-E210 CarbonylContact O-C 3.57Å; A178-E210 WeakPolarHBondContact O-CA 3.4Å; Y179-E210 HydrophobicContact CD1-CB 4Å; Y179-E210 HydrophobicContact CE1-CB 3.68Å; Y179-E210 HydrophobicContact CE1-CG 4.35Å; H192-E210 PolarHBondContact CE1-O 2.9Å; H192-E210 VanDerWaalsContact CE1-O 3.27Å; E210-P212 VanDerWaalsContact O-CD 3.3Å; E210-P212 WeakPolarHBondContact O-CD 3.43Å
211	I	95.9	Very high	93	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.289	C	S	.	.			trans	-81.5	113	176.9	-58	-179.9	0	0	0	107.3	V165 A178 L189 R209 L213 I235 L245	V165-I211 HydrophobicContact CG1-CD1 3.96Å; V165-I211 HydrophobicContact CG2-CD1 4.11Å; A178-I211 HydrophobicContact CB-CB 4.24Å; A178-I211 HydrophobicContact CB-CD1 4.16Å; A178-I211 HydrophobicContact CB-CG1 4.4Å; A178-I211 PolarHBondContact O-N 2.77Å; L189-I211 HydrophobicContact CD2-CD1 4.33Å; R209-I211 PolarHBondContact O-N 3.09Å; I211-L213 PolarHBondContact O-N 2.84Å; I211-I235 HydrophobicContact CB-CD1 4.35Å; I211-I235 HydrophobicContact CD1-CD1 4.06Å; I211-I235 HydrophobicContact CG2-CD1 3.99Å; I211-L245 HydrophobicContact CG2-CD1 3.96Å; I211-L245 HydrophobicContact CG2-CD2 3.69Å
212	P	92.6	Very high	93.6	Very high	61 Å²	61	62.9 Å²	62.9	40%	0.396	31%	0.308	S	S	.	.			trans	-66.4	127.4	-179	27.3	-34.1	0	0	0	110.4	E210 S269	E210-P212 VanDerWaalsContact O-CD 3.3Å; E210-P212 WeakPolarHBondContact O-CD 3.43Å; P212-S269 PolarHBondContact O-OG 2.84Å
213	L	94.3	Very high	94	Very high	29 Å²	29	62 Å²	62	15%	0.152	30%	0.304	C	S	.	.			trans	-119.6	139.8	176.6	-69	177.5	0	0	0	110.3	I211 L215 V223 I235 Y243 L245	I211-L213 PolarHBondContact O-N 2.84Å; L213-L215 HydrophobicContact CB-CD1 4.29Å; L213-L215 HydrophobicContact CB-CD2 3.99Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 HydrophobicContact CD1-CD2 4.46Å; L213-L215 PolarHBondContact O-N 2.83Å; L213-V223 HydrophobicContact CD1-CG2 4.2Å; L213-I235 HydrophobicContact CD1-CD1 4.45Å; L213-I235 HydrophobicContact CD1-CG2 4.04Å; L213-I235 HydrophobicContact CD2-CD1 4.24Å; L213-Y243 HydrophobicContact CD2-CD1 4.42Å; L213-Y243 HydrophobicContact CD2-CG 4.03Å; L213-L245 HydrophobicContact CD2-CD2 4.07Å
214	P	94	Very high	94.4	Very high	79 Å²	79	61.5 Å²	61.5	51%	0.513	30%	0.304	S	S	.	.			trans	-79.3	66.6	177.2	31.9	-32.1	0	0	0	110.1	Y243	P214-Y243 HydrophobicContact CG-CD1 4.18Å; P214-Y243 HydrophobicContact CG-CE1 3.87Å; P214-Y243 PolarHBondContact O-OH 2.96Å
215	L	94.1	Very high	94.7	Very high	34 Å²	34	63 Å²	63	18%	0.178	31%	0.312	C	S	.	.			trans	-81.7	137.4	177.9	-59.1	-177.7	0	0	0	110	L213 P218 T221 T237 E240 Y243	L213-L215 HydrophobicContact CB-CD1 4.29Å; L213-L215 HydrophobicContact CB-CD2 3.99Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 HydrophobicContact CD1-CD2 4.46Å; L213-L215 PolarHBondContact O-N 2.83Å; L215-P218 HydrophobicContact CB-CB 4.28Å; L215-P218 HydrophobicContact CD1-CB 4.42Å; L215-T221 HydrophobicContact CD1-CG2 4.15Å; L215-T221 HydrophobicContact CD2-CG2 4.17Å; L215-T237 HydrophobicContact CD2-CG2 4.2Å; L215-E240 WeakPolarHBondContact CB-OE1 3.39Å; L215-E240 HydrophobicContact CD2-CB 4.26Å; L215-Y243 HydrophobicContact CD2-CE2 3.71Å
216	R	95.3	Very high	94.9	Very high	201 Å²	201	63.4 Å²	63.4	76%	0.758	32%	0.315	S	S	*	.	S	Bend	trans	-74.6	-34.1	172.8	-170.9	-180	-66.2	-174.1	-0.2	111.3	E240	R216-E240 WeakPolarHBondContact CA-OE2 3.37Å; R216-E240 WeakPolarHBondContact CB-OE2 3.31Å; R216-E240 PolarHBondContact N-OE1 3.45Å; R216-E240 PolarHBondContact N-OE2 3.11Å
217	F	94	Very high	95.2	Very high	120 Å²	120	62.1 Å²	62.1	53%	0.526	31%	0.309	S	S	.	.	S	Bend	trans	-131.4	64.9	-176.7	-51.7	-71.9	0	0	0	111.9	D219 S220 T221 E240	F217-D219 PolarHBondContact O-N 3.02Å; F217-D219 VanDerWaalsContact O-N 3.12Å; F217-S220 WeakPolarHBondContact CB-OG 3.34Å; F217-S220 PolarHBondContact O-N 2.86Å; F217-S220 PolarHBondContact O-OG 3.49Å; F217-T221 PolarHBondContact O-N 3.01Å; F217-T221 VanDerWaalsContact O-N 3.12Å; F217-T221 PolarHBondContact O-OG1 3.45Å; F217-T221 VanDerWaalsContact O-OG1 3.06Å; F217-E240 PolarHBondContact N-OE1 2.76Å
218	P	91.3	Very high	95.3	Very high	77 Å²	77	59.3 Å²	59.3	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.7	-172.4	22.2	-34	0	0	0	114	L215 S220	L215-P218 HydrophobicContact CB-CB 4.28Å; L215-P218 HydrophobicContact CD1-CB 4.42Å; P218-S220 PolarHBondContact O-N 2.84Å
219	D	91.4	Very high	95.3	Very high	144 Å²	144	58.6 Å²	58.6	77%	0.77	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-10	179.5	-63.1	-44.4	0	0	0	114.2	L175 F217	L175-D219 VanDerWaalsContact CD1-O 3.27Å; L175-D219 WeakPolarHBondContact CD1-O 3.39Å; F217-D219 PolarHBondContact O-N 3.02Å; F217-D219 VanDerWaalsContact O-N 3.12Å
220	S	93.5	Very high	95.1	Very high	50 Å²	50	56.4 Å²	56.4	35%	0.35	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-1.3	-175.5	83.1	0	0	0	0	114.7	L175 F217 P218 K239	L175-S220 VanDerWaalsContact CD1-C 3.49Å; F217-S220 WeakPolarHBondContact CB-OG 3.34Å; F217-S220 PolarHBondContact O-N 2.86Å; F217-S220 PolarHBondContact O-OG 3.49Å; P218-S220 PolarHBondContact O-N 2.84Å; S220-K239 PolarHBondContact O-NZ 3.28Å
221	T	95.6	Very high	95	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.043	27%	0.27	C	S	.	.			trans	-107.9	132.2	-178.4	-62	0	0	0	0	108.9	L215 F217 T237 E240	L215-T221 HydrophobicContact CD1-CG2 4.15Å; L215-T221 HydrophobicContact CD2-CG2 4.17Å; F217-T221 PolarHBondContact O-N 3.01Å; F217-T221 VanDerWaalsContact O-N 3.12Å; F217-T221 PolarHBondContact O-OG1 3.45Å; F217-T221 VanDerWaalsContact O-OG1 3.06Å; T221-T237 HydrophobicContact CG2-CG2 3.96Å; T221-E240 WeakPolarHBondContact CB-OE1 3.48Å; T221-E240 HydrophobicContact CG2-CB 4.17Å; T221-E240 HydrophobicContact CG2-CG 3.88Å; T221-E240 WeakPolarHBondContact OG1-CG 3.45Å; T221-E240 PolarHBondContact OG1-OE1 2.72Å
222	R	95.8	Very high	95	Very high	117 Å²	117	52.7 Å²	52.7	44%	0.442	27%	0.27	S	S	.	.			trans	-113.4	140.1	175.7	80.8	-163.7	-177.4	-102.1	1.4	110.2	L175 T224 T237 D238	L175-R222 HydrophobicContact CB-CB 4.31Å; R222-T224 HydrophobicContact CG-CG2 4.09Å; R222-T237 WeakPolarHBondContact O-CA 3.44Å; R222-D238 HydrophobicContact CG-CB 3.81Å; R222-D238 IonicContact CZ-OD2 3.72Å; R222-D238 PolarHBondContact N-OD1 3.49Å; R222-D238 IonicContact NE-OD2 2.65Å; R222-D238 VanDerWaalsContact NH1-CB 3.3Å; R222-D238 IonicContact NH1-OD2 2.98Å; R222-D238 PolarHBondContact NH1-OD2 2.78Å; R222-D238 PolarHBondContact O-N 3.3Å
223	V	97.3	Very high	95.3	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.2	166.8	173.8	0	0	0	0	108.7	V167 P176 A178 L213 V226 I235	V167-V223 HydrophobicContact CG1-CB 4.15Å; V167-V223 HydrophobicContact CG1-CG1 4.03Å; V167-V223 HydrophobicContact CG2-CG1 3.68Å; P176-V223 PolarHBondContact O-N 3.42Å; A178-V223 HydrophobicContact CB-CG1 4.42Å; A178-V223 HydrophobicContact CB-CG2 4.38Å; L213-V223 HydrophobicContact CD1-CG2 4.2Å; V223-V226 HydrophobicContact CG1-CG1 4Å; V223-I235 HydrophobicContact CB-CG2 4.3Å; V223-I235 HydrophobicContact CG1-CG2 3.49Å; V223-I235 VanDerWaalsContact CG1-CG2 3.49Å; V223-I235 HydrophobicContact CG2-CG2 3.85Å
224	T	96.7	Very high	95.5	Very high	35 Å²	35	48.4 Å²	48.4	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-45.6	-176.1	51.3	0	0	0	0	112.1	R222 A236 D238	R222-T224 HydrophobicContact CG-CG2 4.09Å; T224-A236 PolarHBondContact N-O 2.69Å; T224-A236 PolarHBondContact OG1-O 3.28Å; T224-A236 VanDerWaalsContact OG1-O 3.13Å; T224-D238 HydrophobicContact CG2-CB 3.85Å
225	H	97.2	Very high	95.7	Very high	63 Å²	63	44.7 Å²	44.7	29%	0.292	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.1	-176.2	-50.1	-77.3	0	0	0	111.3	I235 A236 T280 V282	H225-I235 WeakPolarHBondContact O-CA 3.48Å; H225-A236 HydrophobicContact CB-CB 4.12Å; H225-A236 PolarHBondContact N-O 3.09Å; H225-A236 PolarHBondContact O-N 2.94Å; H225-T280 PolarHBondContact CE1-O 2.82Å; H225-T280 PolarHBondContact NE2-O 2.71Å; H225-V282 HydrophobicContact CB-CG1 4.44Å; H225-V282 HydrophobicContact CB-CG2 3.72Å
226	V	98.4	Very high	95.9	Very high	12 Å²	12	43 Å²	43	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.7	175.3	-67.7	0	0	0	0	109	A158 V165 V167 A178 V223 V234 I235	A158-V226 HydrophobicContact CB-CG2 3.92Å; V165-V226 HydrophobicContact CG1-CB 3.98Å; V165-V226 HydrophobicContact CG1-CG1 3.89Å; V165-V226 HydrophobicContact CG1-CG2 4.19Å; V167-V226 HydrophobicContact CG2-CB 4.22Å; V167-V226 HydrophobicContact CG2-CG1 3.46Å; V167-V226 VanDerWaalsContact CG2-CG1 3.46Å; V167-V226 HydrophobicContact CG2-CG2 3.73Å; A178-V226 HydrophobicContact CB-CG1 4.45Å; V223-V226 HydrophobicContact CG1-CG1 4Å; V226-V234 CarbonylContact C-O 3.49Å; V226-V234 VanDerWaalsContact CA-O 3.3Å; V226-V234 WeakPolarHBondContact CA-O 3.24Å; V226-I235 HydrophobicContact CG1-CG1 4.23Å; V226-I235 HydrophobicContact CG1-CG2 4.18Å
227	A	98.3	Very high	96	Very high	8 Å²	8	34 Å²	34	7%	0.066	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.5	169.5	0	0	0	0	0	109.9	T233 V234 V282 C284	A227-T233 WeakPolarHBondContact O-CA 3.48Å; A227-V234 PolarHBondContact N-O 2.94Å; A227-V234 PolarHBondContact O-N 3.21Å; A227-V282 HydrophobicContact CB-CB 4.36Å; A227-V282 HydrophobicContact CB-CG2 3.8Å; A227-V282 WeakPolarHBondContact CB-O 3.26Å; A227-C284 HydrophobicContact CB-CB 4.15Å; A227-C284 VanDerWaalsContact CB-SG 3.56Å
228	C	97.9	Very high	96.1	Very high	14 Å²	14	29.8 Å²	29.8	10%	0.095	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125	-175.5	-63.3	0	0	0	0	108.5	A158 C159 Y163 V165 C284	A158-C228 HydrophobicContact CB-CB 4.3Å; A158-C228 VanDerWaalsContact CB-SG 3.56Å; C159-C228 VanDerWaalsContact C-CB 3.49Å; Y163-C228 HydrophobicContact CE2-CB 3.71Å; Y163-C228 WeakPolarHBondContact OH-CB 3.27Å; V165-C228 WeakPolarHBondContact CG2-SG 3.27Å; C228-C284 VanDerWaalsContact C-CB 3.43Å
229	G	95.6	Very high	96.1	Very high	5 Å²	5	32.7 Å²	32.7	5%	0.052	17%	0.165	C	C	.	.			trans	-99.7	-152.2	170.4	0	0	0	0	0	111.6	G160 V161 Y163 H232 C284 G285	G160-G229 WeakPolarHBondContact CA-O 3.36Å; V161-G229 PolarHBondContact N-O 2.84Å; Y163-G229 WeakPolarHBondContact CE1-O 3.49Å; Y163-G229 PolarHBondContact OH-N 2.94Å; Y163-G229 PolarHBondContact OH-O 3.25Å; G229-H232 PolarHBondContact N-O 3.02Å; G229-C284 VanDerWaalsContact N-CB 3.32Å; G229-G285 WeakPolarHBondContact CA-O 3.49Å
230	K	92.8	Very high	96.3	Very high	42 Å²	42	26.8 Å²	26.8	18%	0.183	13%	0.133	C	C	.	.	S	Bend	trans	-61.6	-49.8	179.1	178.3	179.2	172.8	-173.8	0	113	F31 V161 M286 D287	F31-K230 HydrophobicContact CD1-CD 3.95Å; F31-K230 HydrophobicContact CD1-CG 3.45Å; F31-K230 VanDerWaalsContact CD1-CG 3.45Å; F31-K230 VanDerWaalsContact CD2-CE 3.46Å; F31-K230 HydrophobicContact CE1-CB 4.45Å; F31-K230 HydrophobicContact CE1-CD 4.04Å; F31-K230 HydrophobicContact CE1-CG 3.2Å; F31-K230 WeakPolarHBondContact CE1-O 3.24Å; F31-K230 HydrophobicContact CG-CD 4.27Å; F31-K230 HydrophobicContact CG-CG 4.24Å; F31-K230 HydrophobicContact CZ-CD 4.41Å; F31-K230 HydrophobicContact CZ-CG 3.79Å; V161-K230 HydrophobicContact CG2-CB 4.19Å; V161-K230 HydrophobicContact CG2-CG 4.21Å; K230-M286 HydrophobicContact CB-CB 4.37Å; K230-M286 WeakPolarHBondContact CB-O 3.49Å; K230-M286 HydrophobicContact CB-SD 4.19Å; K230-M286 PolarHBondContact N-O 3.48Å; K230-D287 IonicContact NZ-OD2 2.98Å
231	A	92.9	Very high	96.5	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	13%	0.128	C	C	.	.	S	Bend	trans	-142.3	17.6	-175.3	0	0	0	0	0	112.5	F31 Y186 Q188 G246 G247	F31-A231 HydrophobicContact CE1-CB 4.46Å; F31-A231 HydrophobicContact CZ-CB 3.79Å; Y186-A231 HydrophobicContact CD2-CB 3.93Å; Y186-A231 HydrophobicContact CE2-CB 4.34Å; Y186-A231 HydrophobicContact CG-CB 4.03Å; Q188-A231 VanDerWaalsContact CB-O 3.26Å; Q188-A231 WeakPolarHBondContact CB-O 3.39Å; A231-G246 CarbonylContact O-C 3.58Å; A231-G246 VanDerWaalsContact O-CA 3.31Å; A231-G246 WeakPolarHBondContact O-CA 3.44Å; A231-G247 PolarHBondContact O-N 3.22Å
232	H	95.8	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.4	-175.9	71.8	-78.1	0	0	0	110.9	Y163 G229 L245 Q252 C284 M286 T289	Y163-H232 PolarHBondContact OH-O 3.05Å; G229-H232 PolarHBondContact N-O 3.02Å; H232-L245 CarbonylContact C-O 3.56Å; H232-L245 VanDerWaalsContact CA-O 3.31Å; H232-L245 WeakPolarHBondContact CA-O 3.31Å; H232-Q252 HydrophobicContact CB-CG 4.24Å; H232-C284 PolarHBondContact NE2-SG 3.45Å; H232-M286 PolarHBondContact CE1-O 3.46Å; H232-T289 PolarHBondContact NE2-OG1 3.12Å
233	T	98.4	Very high	96.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.6	177.1	-63.9	0	0	0	0	108.8	Y163 V165 Q188 A227 I235 S244 L245	Y163-T233 WeakPolarHBondContact CE2-OG1 3.46Å; V165-T233 HydrophobicContact CG1-CG2 4.46Å; V165-T233 HydrophobicContact CG2-CG2 3.95Å; Q188-T233 VanDerWaalsContact O-CB 3.28Å; Q188-T233 WeakPolarHBondContact O-CB 3.47Å; Q188-T233 PolarHBondContact O-OG1 3.15Å; A227-T233 WeakPolarHBondContact O-CA 3.48Å; T233-I235 HydrophobicContact CG2-CD1 4.09Å; T233-I235 HydrophobicContact CG2-CG1 3.8Å; T233-S244 VanDerWaalsContact O-CA 3.27Å; T233-S244 WeakPolarHBondContact O-CA 3.37Å; T233-L245 HydrophobicContact CG2-CD1 4.37Å; T233-L245 PolarHBondContact N-O 2.92Å; T233-L245 PolarHBondContact O-N 3.2Å
234	V	98.5	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.3	175.2	-179.9	0	0	0	0	108.9	V226 A227 V242 Y243 V282 C284 T289 I291	V226-V234 CarbonylContact C-O 3.49Å; V226-V234 VanDerWaalsContact CA-O 3.3Å; V226-V234 WeakPolarHBondContact CA-O 3.24Å; A227-V234 PolarHBondContact N-O 2.94Å; A227-V234 PolarHBondContact O-N 3.21Å; V234-V242 HydrophobicContact CG1-CG1 3.5Å; V234-V242 VanDerWaalsContact CG1-CG1 3.5Å; V234-Y243 CarbonylContact C-O 3.58Å; V234-Y243 WeakPolarHBondContact CA-O 3.33Å; V234-V282 HydrophobicContact CG1-CB 4.06Å; V234-V282 HydrophobicContact CG1-CG1 4.16Å; V234-C284 VanDerWaalsContact CG2-SG 3.56Å; V234-T289 HydrophobicContact CG1-CG2 4.3Å; V234-T289 HydrophobicContact CG2-CG2 3.78Å; V234-I291 HydrophobicContact CG1-CD1 4.16Å
235	I	98.6	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.6	-173.4	-52.1	-177.7	0	0	0	108.8	A178 I211 L213 V223 H225 V226 T233 V242 Y243 L245	A178-I235 HydrophobicContact CB-CD1 3.69Å; A178-I235 HydrophobicContact CB-CG2 4.35Å; I211-I235 HydrophobicContact CB-CD1 4.35Å; I211-I235 HydrophobicContact CD1-CD1 4.06Å; I211-I235 HydrophobicContact CG2-CD1 3.99Å; L213-I235 HydrophobicContact CD1-CD1 4.45Å; L213-I235 HydrophobicContact CD1-CG2 4.04Å; L213-I235 HydrophobicContact CD2-CD1 4.24Å; V223-I235 HydrophobicContact CB-CG2 4.3Å; V223-I235 HydrophobicContact CG1-CG2 3.49Å; V223-I235 VanDerWaalsContact CG1-CG2 3.49Å; V223-I235 HydrophobicContact CG2-CG2 3.85Å; H225-I235 WeakPolarHBondContact O-CA 3.48Å; V226-I235 HydrophobicContact CG1-CG1 4.23Å; V226-I235 HydrophobicContact CG1-CG2 4.18Å; T233-I235 HydrophobicContact CG2-CD1 4.09Å; T233-I235 HydrophobicContact CG2-CG1 3.8Å; I235-V242 CarbonylContact O-C 3.57Å; I235-V242 WeakPolarHBondContact O-CA 3.41Å; I235-Y243 PolarHBondContact N-O 3.07Å; I235-Y243 PolarHBondContact O-N 3.16Å; I235-L245 HydrophobicContact CD1-CD2 4.02Å
236	A	98.1	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.5	171.7	0	0	0	0	0	110.7	T224 H225 V242 V279 V282	T224-A236 PolarHBondContact N-O 2.69Å; T224-A236 PolarHBondContact OG1-O 3.28Å; T224-A236 VanDerWaalsContact OG1-O 3.13Å; H225-A236 HydrophobicContact CB-CB 4.12Å; H225-A236 PolarHBondContact N-O 3.09Å; H225-A236 PolarHBondContact O-N 2.94Å; A236-V242 HydrophobicContact CB-CG2 4.15Å; A236-V279 HydrophobicContact CB-CG1 4.2Å; A236-V282 HydrophobicContact CB-CG1 3.81Å
237	T	97.6	Very high	96.4	Very high	10 Å²	10	14.8 Å²	14.8	6%	0.061	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	165	172.5	68.4	0	0	0	0	110.5	L215 T221 R222 K239 E240 G241 Y243	L215-T237 HydrophobicContact CD2-CG2 4.2Å; T221-T237 HydrophobicContact CG2-CG2 3.96Å; R222-T237 WeakPolarHBondContact O-CA 3.44Å; T237-K239 VanDerWaalsContact C-N 3.34Å; T237-E240 WeakPolarHBondContact OG1-CA 3.38Å; T237-E240 PolarHBondContact OG1-N 3.35Å; T237-G241 PolarHBondContact N-O 3.46Å; T237-G241 PolarHBondContact OG1-N 3.29Å; T237-G241 PolarHBondContact OG1-O 3.14Å; T237-Y243 HydrophobicContact CG2-CD2 4.03Å; T237-Y243 HydrophobicContact CG2-CE2 3.89Å
238	D	95.5	Very high	96.3	Very high	33 Å²	33	14.4 Å²	14.4	18%	0.176	8%	0.078	C	C	.	.	S	Bend	trans	-74.3	-20.7	177.6	64.7	-28.2	0	0	0	114.9	R222 T224	R222-D238 HydrophobicContact CG-CB 3.81Å; R222-D238 IonicContact CZ-OD2 3.72Å; R222-D238 PolarHBondContact N-OD1 3.49Å; R222-D238 IonicContact NE-OD2 2.65Å; R222-D238 VanDerWaalsContact NH1-CB 3.3Å; R222-D238 IonicContact NH1-OD2 2.98Å; R222-D238 PolarHBondContact NH1-OD2 2.78Å; R222-D238 PolarHBondContact O-N 3.3Å; T224-D238 HydrophobicContact CG2-CB 3.85Å
239	K	93.1	Very high	96	Very high	138 Å²	138	16.9 Å²	16.9	60%	0.6	9%	0.088	S	C	*	.	S	Bend	trans	-140	-29.8	-169.4	-68.1	171.5	-170.9	171.2	0	114.7	S220 T237	S220-K239 PolarHBondContact O-NZ 3.28Å; T237-K239 VanDerWaalsContact C-N 3.34Å
240	E	95.5	Very high	95.9	Very high	19 Å²	19	20.4 Å²	20.4	9%	0.089	10%	0.1	C	C	.	.	S	Bend	trans	-103.2	4.3	-168.7	-61.8	-156.5	-115.6	0	0	113.7	L215 R216 F217 T221 T237 Y243 K271	L215-E240 WeakPolarHBondContact CB-OE1 3.39Å; L215-E240 HydrophobicContact CD2-CB 4.26Å; R216-E240 WeakPolarHBondContact CA-OE2 3.37Å; R216-E240 WeakPolarHBondContact CB-OE2 3.31Å; R216-E240 PolarHBondContact N-OE1 3.45Å; R216-E240 PolarHBondContact N-OE2 3.11Å; F217-E240 PolarHBondContact N-OE1 2.76Å; T221-E240 WeakPolarHBondContact CB-OE1 3.48Å; T221-E240 HydrophobicContact CG2-CB 4.17Å; T221-E240 HydrophobicContact CG2-CG 3.88Å; T221-E240 WeakPolarHBondContact OG1-CG 3.45Å; T221-E240 PolarHBondContact OG1-OE1 2.72Å; T237-E240 WeakPolarHBondContact OG1-CA 3.38Å; T237-E240 PolarHBondContact OG1-N 3.35Å; E240-Y243 HydrophobicContact CB-CE2 4.25Å; E240-Y243 PolarHBondContact O-OH 2.86Å; E240-K271 WeakPolarHBondContact O-CE 3.35Å; E240-K271 PolarHBondContact O-NZ 3.45Å
241	G	96.7	Very high	96.1	Very high	24 Å²	24	18.4 Å²	18.4	25%	0.247	9%	0.092	C	C	.	.			trans	96	-157.6	176.2	0	0	0	0	0	113.1	T237	T237-G241 PolarHBondContact N-O 3.46Å; T237-G241 PolarHBondContact OG1-N 3.29Å; T237-G241 PolarHBondContact OG1-O 3.14Å
242	V	98.3	Very high	96.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.8	-177.8	-174.9	0	0	0	0	109.5	V234 I235 A236 I272 L275 V279 I291	V234-V242 HydrophobicContact CG1-CG1 3.5Å; V234-V242 VanDerWaalsContact CG1-CG1 3.5Å; I235-V242 CarbonylContact O-C 3.57Å; I235-V242 WeakPolarHBondContact O-CA 3.41Å; A236-V242 HydrophobicContact CB-CG2 4.15Å; V242-I272 HydrophobicContact CG1-CD1 3.97Å; V242-I272 PolarHBondContact O-N 3.35Å; V242-L275 HydrophobicContact CB-CD1 3.88Å; V242-L275 HydrophobicContact CG1-CD1 4.36Å; V242-L275 HydrophobicContact CG2-CD1 3.92Å; V242-V279 HydrophobicContact CG2-CB 4.33Å; V242-V279 HydrophobicContact CG2-CG1 4.35Å; V242-V279 HydrophobicContact CG2-CG2 3.8Å; V242-I291 HydrophobicContact CG1-CD1 4.27Å
243	Y	98.2	Very high	96.4	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.2	178.9	-62.6	-94.9	0	0	0	110.1	L213 P214 L215 V234 I235 T237 E240 H270 K271	L213-Y243 HydrophobicContact CD2-CD1 4.42Å; L213-Y243 HydrophobicContact CD2-CG 4.03Å; P214-Y243 HydrophobicContact CG-CD1 4.18Å; P214-Y243 HydrophobicContact CG-CE1 3.87Å; P214-Y243 PolarHBondContact O-OH 2.96Å; L215-Y243 HydrophobicContact CD2-CE2 3.71Å; V234-Y243 CarbonylContact C-O 3.58Å; V234-Y243 WeakPolarHBondContact CA-O 3.33Å; I235-Y243 PolarHBondContact N-O 3.07Å; I235-Y243 PolarHBondContact O-N 3.16Å; T237-Y243 HydrophobicContact CG2-CD2 4.03Å; T237-Y243 HydrophobicContact CG2-CE2 3.89Å; E240-Y243 HydrophobicContact CB-CE2 4.25Å; E240-Y243 PolarHBondContact O-OH 2.86Å; Y243-H270 CarbonylContact C-O 3.47Å; Y243-H270 WeakPolarHBondContact CA-O 3.06Å; Y243-K271 HydrophobicContact CD1-CB 3.89Å; Y243-K271 HydrophobicContact CD1-CG 4.48Å; Y243-K271 HydrophobicContact CE1-CB 3.68Å; Y243-K271 HydrophobicContact CE1-CD 4.23Å; Y243-K271 HydrophobicContact CE1-CG 4.1Å
244	S	98.1	Very high	96.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.2	173.7	51.5	0	0	0	0	111.7	T233 C253 H270 I272	T233-S244 VanDerWaalsContact O-CA 3.27Å; T233-S244 WeakPolarHBondContact O-CA 3.37Å; S244-C253 VanDerWaalsContact OG-C 3.25Å; S244-C253 WeakPolarHBondContact OG-CA 3.1Å; S244-C253 WeakPolarHBondContact OG-CB 3.47Å; S244-C253 PolarHBondContact OG-O 3.21Å; S244-H270 PolarHBondContact N-O 3.34Å; S244-H270 PolarHBondContact O-N 3.03Å; S244-I272 WeakPolarHBondContact OG-CG1 3.5Å
245	L	97.2	Very high	96.2	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.8	-174.6	43.1	111.7	0	0	0	109.6	Q188 I211 L213 H232 T233 I235	Q188-L245 WeakPolarHBondContact O-CD1 3.1Å; I211-L245 HydrophobicContact CG2-CD1 3.96Å; I211-L245 HydrophobicContact CG2-CD2 3.69Å; L213-L245 HydrophobicContact CD2-CD2 4.07Å; H232-L245 CarbonylContact C-O 3.56Å; H232-L245 VanDerWaalsContact CA-O 3.31Å; H232-L245 WeakPolarHBondContact CA-O 3.31Å; T233-L245 HydrophobicContact CG2-CD1 4.37Å; T233-L245 PolarHBondContact N-O 2.92Å; T233-L245 PolarHBondContact O-N 3.2Å; I235-L245 HydrophobicContact CD1-CD2 4.02Å
246	G	95.5	Very high	96.1	Very high	7 Å²	7	23.3 Å²	23.3	7%	0.072	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.4	-159.6	-174	0	0	0	0	0	114.5	Y186 A231 Y263	Y186-G246 WeakPolarHBondContact O-CA 3.25Å; A231-G246 CarbonylContact O-C 3.58Å; A231-G246 VanDerWaalsContact O-CA 3.31Å; A231-G246 WeakPolarHBondContact O-CA 3.44Å; G246-Y263 WeakPolarHBondContact O-CE1 3.3Å
247	G	92.3	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.			trans	-58	131.3	-178.8	0	0	0	0	0	113.1	A231 Q252 C253	A231-G247 PolarHBondContact O-N 3.22Å; G247-Q252 VanDerWaalsContact O-CD 3.23Å; G247-Q252 WeakPolarHBondContact O-CG 3.42Å; G247-Q252 PolarHBondContact O-NE2 3.07Å; G247-C253 PolarHBondContact O-SG 3.09Å
248	N	95.1	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.			trans	-129.5	28.1	-178.6	-167.6	55.8	0	0	0	112.4	Y250 G251 Q252 C253 R255 S256 Y263	N248-Y250 PolarHBondContact O-N 2.99Å; N248-Y250 VanDerWaalsContact O-N 3.08Å; N248-G251 PolarHBondContact O-N 3.3Å; N248-G251 VanDerWaalsContact O-N 3.15Å; N248-G251 WeakPolarHBondContact OD1-CA 3.48Å; N248-Q252 VanDerWaalsContact CA-OE1 3.29Å; N248-Q252 PolarHBondContact OD1-N 3.29Å; N248-C253 HydrophobicContact CB-CB 4.02Å; N248-C253 WeakPolarHBondContact OD1-CA 3.41Å; N248-C253 VanDerWaalsContact OD1-CB 3.29Å; N248-C253 WeakPolarHBondContact OD1-CB 3.46Å; N248-C253 PolarHBondContact OD1-N 3.34Å; N248-R255 VanDerWaalsContact ND2-CG 3.31Å; N248-R255 WeakPolarHBondContact ND2-CG 3.19Å; N248-R255 PolarHBondContact ND2-NH1 3.04Å; N248-R255 PolarHBondContact ND2-O 2.82Å; N248-S256 PolarHBondContact ND2-O 2.96Å; N248-S256 VanDerWaalsContact ND2-O 3.16Å; N248-Y263 PolarHBondContact N-OH 3.04Å
249	Q	91.8	Very high	95.4	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.5	-175.6	-58.3	85.5	-4.3	0	0	113.2	Y263	Q249-Y263 PolarHBondContact N-OH 3.47Å
250	Y	95	Very high	95.1	Very high	79 Å²	79	37.9 Å²	37.9	31%	0.31	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	7.2	-179.3	-56.4	-75.9	0	0	0	112.5	N248 D287 G302 C303 M305 S316	N248-Y250 PolarHBondContact O-N 2.99Å; N248-Y250 VanDerWaalsContact O-N 3.08Å; Y250-D287 HydrophobicContact CD2-CB 3.66Å; Y250-D287 HydrophobicContact CE2-CB 4.07Å; Y250-G302 CarbonylContact O-C 3.12Å; Y250-G302 VanDerWaalsContact O-CA 3.23Å; Y250-G302 WeakPolarHBondContact O-CA 3.41Å; Y250-C303 HydrophobicContact CD1-CB 4.34Å; Y250-C303 HydrophobicContact CD2-CB 4.35Å; Y250-C303 HydrophobicContact CG-CB 3.93Å; Y250-M305 HydrophobicContact CE1-CE 4.12Å; Y250-S316 WeakPolarHBondContact O-CB 3.47Å
251	G	96.2	Very high	94.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	85.1	12.7	-176.8	0	0	0	0	0	114.8	N248 C253 G254 W318	N248-G251 PolarHBondContact O-N 3.3Å; N248-G251 VanDerWaalsContact O-N 3.15Å; N248-G251 WeakPolarHBondContact OD1-CA 3.48Å; G251-C253 PolarHBondContact O-N 3.39Å; G251-G254 PolarHBondContact O-N 3.03Å; G251-W318 WeakPolarHBondContact O-CA 3.15Å
252	Q	96.7	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.5	-175.6	65.6	-88.7	50.4	0	0	114.7	H232 G247 N248 D287 T289 F301	H232-Q252 HydrophobicContact CB-CG 4.24Å; G247-Q252 VanDerWaalsContact O-CD 3.23Å; G247-Q252 WeakPolarHBondContact O-CG 3.42Å; G247-Q252 PolarHBondContact O-NE2 3.07Å; N248-Q252 VanDerWaalsContact CA-OE1 3.29Å; N248-Q252 PolarHBondContact OD1-N 3.29Å; Q252-D287 WeakPolarHBondContact CB-O 3.49Å; Q252-D287 PolarHBondContact NE2-OD1 3.01Å; Q252-T289 PolarHBondContact O-OG1 3.18Å; Q252-F301 WeakPolarHBondContact O-CE2 3.42Å
253	C	97.2	Very high	94	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	19.4	169.4	-66.1	0	0	0	0	112.6	S244 G247 N248 G251 R255 H270	S244-C253 VanDerWaalsContact OG-C 3.25Å; S244-C253 WeakPolarHBondContact OG-CA 3.1Å; S244-C253 WeakPolarHBondContact OG-CB 3.47Å; S244-C253 PolarHBondContact OG-O 3.21Å; G247-C253 PolarHBondContact O-SG 3.09Å; N248-C253 HydrophobicContact CB-CB 4.02Å; N248-C253 WeakPolarHBondContact OD1-CA 3.41Å; N248-C253 VanDerWaalsContact OD1-CB 3.29Å; N248-C253 WeakPolarHBondContact OD1-CB 3.46Å; N248-C253 PolarHBondContact OD1-N 3.34Å; G251-C253 PolarHBondContact O-N 3.39Å; C253-R255 PolarHBondContact O-N 3Å; C253-R255 VanDerWaalsContact O-N 3.11Å; C253-H270 PolarHBondContact O-CD2 3.41Å
254	G	97.3	Very high	93.1	Very high	9 Å²	9	41.7 Å²	41.7	9%	0.093	22%	0.215	C	C	.	.	S	Bend	trans	72.3	9.4	169.9	0	0	0	0	0	115.6	G251 H270 W318	G251-G254 PolarHBondContact O-N 3.03Å; G254-H270 PolarHBondContact O-NE2 3.49Å; G254-W318 CarbonylContact C-O 3.19Å; G254-W318 WeakPolarHBondContact CA-O 3.38Å
255	R	96.3	Very high	92.1	Very high	25 Å²	25	49 Å²	49	9%	0.094	24%	0.242	C	C	.	.	S	Bend	trans	-130.6	161.5	-176.1	68.7	175.1	174.1	79.3	-3.5	112.2	N248 C253 E261 W318	N248-R255 VanDerWaalsContact ND2-CG 3.31Å; N248-R255 WeakPolarHBondContact ND2-CG 3.19Å; N248-R255 PolarHBondContact ND2-NH1 3.04Å; N248-R255 PolarHBondContact ND2-O 2.82Å; C253-R255 PolarHBondContact O-N 3Å; C253-R255 VanDerWaalsContact O-N 3.11Å; R255-E261 IonicContact CZ-OE1 3.92Å; R255-E261 IonicContact CZ-OE2 3Å; R255-E261 IonicContact NH1-OE1 2.8Å; R255-E261 PolarHBondContact NH1-OE1 2.75Å; R255-E261 IonicContact NH1-OE2 3.23Å; R255-E261 PolarHBondContact NH1-OE2 2.83Å; R255-E261 IonicContact NH2-OE1 3.14Å; R255-E261 PolarHBondContact NH2-OE1 3.18Å; R255-E261 IonicContact NH2-OE2 3.35Å; R255-E261 PolarHBondContact NH2-OE2 2.95Å; R255-W318 WeakPolarHBondContact O-CB 3.29Å
256	S	95.6	Very high	91.3	Very high	70 Å²	70	49.7 Å²	49.7	49%	0.49	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-52	141	177.9	52.1	0	0	0	0	112.5	N248	N248-S256 PolarHBondContact ND2-O 2.96Å; N248-S256 VanDerWaalsContact ND2-O 3.16Å
257	I	93.6	Very high	90.6	Very high	65 Å²	65	53.4 Å²	53.4	33%	0.333	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-75.5	128	177.8	-58	169.1	0	0	0	107.9	W318	I257-W318 HydrophobicContact CD1-CE3 4.15Å; I257-W318 HydrophobicContact CG1-CE3 4.18Å
258	I	92.6	Very high	90.1	Very high	86 Å²	86	57.2 Å²	57.2	44%	0.441	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-102.4	120.4	172.9	-61.1	171.7	0	0	0	106.9	N260 E261	I258-N260 PolarHBondContact O-N 3.21Å; I258-E261 HydrophobicContact CB-CB 4.03Å; I258-E261 HydrophobicContact CB-CG 4.26Å; I258-E261 HydrophobicContact CG2-CB 4.17Å; I258-E261 HydrophobicContact CG2-CG 4.42Å; I258-E261 PolarHBondContact O-N 2.65Å
259	E	91	Very high	90	Very high	173 Å²	173	58.3 Å²	58.3	81%	0.808	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	134.1	176.2	-66.8	-174	176.6	0	0	110.4	E261	E259-E261 PolarHBondContact O-N 3.3Å
260	N	87.8	Confident	90.1	Very high	162 Å²	162	57 Å²	57	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.9	-178.7	-54	-51.5	0	0	0	113.9	I258 D262	I258-N260 PolarHBondContact O-N 3.21Å; N260-D262 PolarHBondContact O-N 3.39Å
261	E	90.5	Very high	90.2	Very high	28 Å²	28	57.6 Å²	57.6	13%	0.131	30%	0.297	C	S	.	.			trans	-56	122.7	177.2	-167.2	173.8	165	0	0	111.7	R255 I258 E259 Y263	R255-E261 IonicContact CZ-OE1 3.92Å; R255-E261 IonicContact CZ-OE2 3Å; R255-E261 IonicContact NH1-OE1 2.8Å; R255-E261 PolarHBondContact NH1-OE1 2.75Å; R255-E261 IonicContact NH1-OE2 3.23Å; R255-E261 PolarHBondContact NH1-OE2 2.83Å; R255-E261 IonicContact NH2-OE1 3.14Å; R255-E261 PolarHBondContact NH2-OE1 3.18Å; R255-E261 IonicContact NH2-OE2 3.35Å; R255-E261 PolarHBondContact NH2-OE2 2.95Å; I258-E261 HydrophobicContact CB-CB 4.03Å; I258-E261 HydrophobicContact CB-CG 4.26Å; I258-E261 HydrophobicContact CG2-CB 4.17Å; I258-E261 HydrophobicContact CG2-CG 4.42Å; I258-E261 PolarHBondContact O-N 2.65Å; E259-E261 PolarHBondContact O-N 3.3Å; E261-Y263 HydrophobicContact CB-CE2 3.98Å; E261-Y263 HydrophobicContact CG-CE1 4.26Å; E261-Y263 HydrophobicContact CG-CE2 4.42Å; E261-Y263 WeakPolarHBondContact O-CD2 2.91Å; E261-Y263 WeakPolarHBondContact O-CE2 3.4Å; E261-Y263 PolarHBondContact O-N 3.35Å
262	D	88.6	Confident	90.3	Very high	65 Å²	65	57.9 Å²	57.9	35%	0.348	30%	0.299	S	S	.	.			trans	-83.6	95.1	176.1	177.7	12.8	0	0	0	110.5	N260 T264 R265	N260-D262 PolarHBondContact O-N 3.39Å; D262-T264 VanDerWaalsContact C-N 3.26Å; D262-T264 PolarHBondContact O-N 3.41Å; D262-T264 WeakPolarHBondContact OD1-CB 3.17Å; D262-T264 PolarHBondContact OD1-N 3.14Å; D262-T264 VanDerWaalsContact OD1-N 3.07Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å; D262-R265 IonicContact OD2-CZ 2.78Å; D262-R265 VanDerWaalsContact OD2-CZ 3.23Å; D262-R265 IonicContact OD2-NE 3.55Å; D262-R265 PolarHBondContact OD2-NE 2.9Å; D262-R265 IonicContact OD2-NH2 2.81Å; D262-R265 PolarHBondContact OD2-NH2 3.35Å
263	Y	87.3	Confident	90.2	Very high	13 Å²	13	63.3 Å²	63.3	5%	0.051	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-71	-19.6	-180	-62	-85.4	0	0	0	113.8	Y186 H187 G246 N248 Q249 E261 R265 C266	Y186-Y263 AromaticContact CD1-CD1 4Å; Y186-Y263 HydrophobicContact CD1-CD1 4Å; Y186-Y263 AromaticContact CD1-CD2 3.43Å; Y186-Y263 HydrophobicContact CD1-CD2 3.43Å; Y186-Y263 VanDerWaalsContact CD1-CD2 3.43Å; Y186-Y263 HydrophobicContact CD1-CE1 4.42Å; Y186-Y263 AromaticContact CD1-CE2 3.91Å; Y186-Y263 HydrophobicContact CD1-CE2 3.91Å; Y186-Y263 AromaticContact CD1-CG 3.48Å; Y186-Y263 HydrophobicContact CD1-CG 3.48Å; Y186-Y263 VanDerWaalsContact CD1-CG 3.48Å; Y186-Y263 AromaticContact CE1-CD2 3.67Å; Y186-Y263 HydrophobicContact CE1-CD2 3.67Å; Y186-Y263 HydrophobicContact CE1-CE2 4.02Å; Y186-Y263 HydrophobicContact CE1-CG 4.2Å; Y186-Y263 HydrophobicContact CG-CG 4.31Å; H187-Y263 PolarHBondContact CE1-O 2.87Å; H187-Y263 PolarHBondContact ND1-O 2.65Å; G246-Y263 WeakPolarHBondContact O-CE1 3.3Å; N248-Y263 PolarHBondContact N-OH 3.04Å; Q249-Y263 PolarHBondContact N-OH 3.47Å; E261-Y263 HydrophobicContact CB-CE2 3.98Å; E261-Y263 HydrophobicContact CG-CE1 4.26Å; E261-Y263 HydrophobicContact CG-CE2 4.42Å; E261-Y263 WeakPolarHBondContact O-CD2 2.91Å; E261-Y263 WeakPolarHBondContact O-CE2 3.4Å; E261-Y263 PolarHBondContact O-N 3.35Å; Y263-R265 PolarHBondContact O-N 3Å; Y263-C266 PolarHBondContact O-N 2.78Å; Y263-C266 VanDerWaalsContact O-N 3.09Å
264	T	79.2	Confident	90.1	Very high	22 Å²	22	66.4 Å²	66.4	14%	0.135	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.3	-177.7	69.8	0	0	0	0	113.3	Y24 H187 Q200 D262	Y24-T264 HydrophobicContact CE2-CG2 4.31Å; Y24-T264 WeakPolarHBondContact OH-CG2 3.25Å; H187-T264 VanDerWaalsContact CE1-C 3.42Å; H187-T264 PolarHBondContact CE1-O 2.86Å; Q200-T264 CarbonylContact C-O 3.14Å; Q200-T264 VanDerWaalsContact CA-O 3.29Å; Q200-T264 WeakPolarHBondContact CA-O 2.77Å; D262-T264 VanDerWaalsContact C-N 3.26Å; D262-T264 PolarHBondContact O-N 3.41Å; D262-T264 WeakPolarHBondContact OD1-CB 3.17Å; D262-T264 PolarHBondContact OD1-N 3.14Å; D262-T264 VanDerWaalsContact OD1-N 3.07Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å
265	R	78.4	Confident	90.1	Very high	155 Å²	155	67.5 Å²	67.5	59%	0.585	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-125.1	7.6	176.5	-59.1	-177	-75.6	169.2	-0.8	112.4	E199 D262 Y263 S267	E199-R265 WeakPolarHBondContact O-CG 3.36Å; D262-R265 IonicContact OD2-CZ 2.78Å; D262-R265 VanDerWaalsContact OD2-CZ 3.23Å; D262-R265 IonicContact OD2-NE 3.55Å; D262-R265 PolarHBondContact OD2-NE 2.9Å; D262-R265 IonicContact OD2-NH2 2.81Å; D262-R265 PolarHBondContact OD2-NH2 3.35Å; Y263-R265 PolarHBondContact O-N 3Å; R265-S267 PolarHBondContact O-N 3.31Å
266	C	80	Confident	90.1	Very high	16 Å²	16	67.9 Å²	67.9	11%	0.108	37%	0.369	C	S	.	.			trans	-79.2	112.8	-174	-173.1	0	0	0	0	110.4	H187 Y263	H187-C266 WeakPolarHBondContact CB-O 3.19Å; H187-C266 PolarHBondContact ND1-O 3.22Å; Y263-C266 PolarHBondContact O-N 2.78Å; Y263-C266 VanDerWaalsContact O-N 3.09Å
267	S	80.4	Confident	90	Very high	85 Å²	85	70 Å²	70	59%	0.594	38%	0.383	S	S	*	.			trans	-97.8	10.7	173.7	58.8	0	0	0	0	113.1	R265 S269	R265-S267 PolarHBondContact O-N 3.31Å; S267-S269 PolarHBondContact O-N 2.93Å
268	I	82.2	Confident	90	Very high	81 Å²	81	69.8 Å²	69.8	42%	0.415	38%	0.383	S	S	.	.			trans	-73.6	113.6	-172.5	-57.3	175.1	0	0	0	109.8	H270	I268-H270 HydrophobicContact CG2-CB 4.25Å
269	S	91.8	Very high	90.3	Very high	23 Å²	23	66.6 Å²	66.6	16%	0.161	37%	0.368	C	S	.	.			trans	-101.7	104.3	159	-65.6	0	0	0	0	107.7	P212 S267	P212-S269 PolarHBondContact O-OG 2.84Å; S267-S269 PolarHBondContact O-N 2.93Å
270	H	95	Very high	90.6	Very high	40 Å²	40	60.9 Å²	60.9	19%	0.185	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.8	-173.5	-179.5	66.2	0	0	0	110.5	Y243 S244 C253 G254 I268	Y243-H270 CarbonylContact C-O 3.47Å; Y243-H270 WeakPolarHBondContact CA-O 3.06Å; S244-H270 PolarHBondContact N-O 3.34Å; S244-H270 PolarHBondContact O-N 3.03Å; C253-H270 PolarHBondContact O-CD2 3.41Å; G254-H270 PolarHBondContact O-NE2 3.49Å; I268-H270 HydrophobicContact CG2-CB 4.25Å
271	K	96.9	Very high	91.1	Very high	90 Å²	90	55.3 Å²	55.3	39%	0.391	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.9	166	178.9	171.8	169.1	160.3	0	108.4	E240 Y243 D273	E240-K271 WeakPolarHBondContact O-CE 3.35Å; E240-K271 PolarHBondContact O-NZ 3.45Å; Y243-K271 HydrophobicContact CD1-CB 3.89Å; Y243-K271 HydrophobicContact CD1-CG 4.48Å; Y243-K271 HydrophobicContact CE1-CB 3.68Å; Y243-K271 HydrophobicContact CE1-CD 4.23Å; Y243-K271 HydrophobicContact CE1-CG 4.1Å; K271-D273 PolarHBondContact O-N 2.7Å
272	I	97.4	Very high	91.5	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-76.8	119.4	-175.8	-51.7	179.9	0	0	0	109.3	V242 S244 L275 F301 P320	V242-I272 HydrophobicContact CG1-CD1 3.97Å; V242-I272 PolarHBondContact O-N 3.35Å; S244-I272 WeakPolarHBondContact OG-CG1 3.5Å; I272-L275 HydrophobicContact CB-CD1 3.98Å; I272-L275 HydrophobicContact CG2-CD1 3.69Å; I272-L275 HydrophobicContact CG2-CG 4.13Å; I272-F301 HydrophobicContact CD1-CE2 3.9Å; I272-F301 HydrophobicContact CD1-CZ 3.52Å; I272-F301 HydrophobicContact CG2-CZ 4.34Å; I272-P320 HydrophobicContact CG2-CG 3.51Å
273	D	95.8	Very high	91.9	Very high	114 Å²	114	52.6 Å²	52.6	61%	0.61	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-85	159.1	176.3	-64.9	-47.3	0	0	0	111.9	K271 L275	K271-D273 PolarHBondContact O-N 2.7Å; D273-L275 VanDerWaalsContact C-N 3.33Å; D273-L275 PolarHBondContact O-N 3.39Å
274	G	94.8	Very high	92.4	Very high	66 Å²	66	52.5 Å²	52.5	68%	0.68	30%	0.302	S	S	*	.	S	Bend	trans	82.2	2.7	176.2	0	0	0	0	0	115.7
275	L	97.3	Very high	93.2	Very high	32 Å²	32	51.6 Å²	51.6	17%	0.168	30%	0.297	C	S	.	.			trans	-91.9	148.7	172	-67.4	174.2	0	0	0	111.6	V242 I272 D273 I291 Y299 P320	V242-L275 HydrophobicContact CB-CD1 3.88Å; V242-L275 HydrophobicContact CG1-CD1 4.36Å; V242-L275 HydrophobicContact CG2-CD1 3.92Å; I272-L275 HydrophobicContact CB-CD1 3.98Å; I272-L275 HydrophobicContact CG2-CD1 3.69Å; I272-L275 HydrophobicContact CG2-CG 4.13Å; D273-L275 VanDerWaalsContact C-N 3.33Å; D273-L275 PolarHBondContact O-N 3.39Å; L275-I291 HydrophobicContact CD1-CG1 4.02Å; L275-I291 HydrophobicContact CD1-CG2 4.48Å; L275-I291 HydrophobicContact CD2-CB 4.15Å; L275-I291 HydrophobicContact CD2-CG1 4.13Å; L275-I291 HydrophobicContact CD2-CG2 4.17Å; L275-Y299 HydrophobicContact CD2-CD1 4.06Å; L275-Y299 HydrophobicContact CD2-CD2 4.45Å; L275-Y299 HydrophobicContact CD2-CG 3.88Å; L275-P320 HydrophobicContact CD2-CB 3.69Å; L275-P320 HydrophobicContact CD2-CG 4.13Å; L275-P320 HydrophobicContact CG-CB 4.18Å; L275-P320 HydrophobicContact CG-CG 4.09Å
276	P	95	Very high	93.9	Very high	33 Å²	33	45.2 Å²	45.2	21%	0.214	27%	0.274	C	S	.	.			trans	-70.7	163.2	173.3	32.7	-35.7	0	0	0	111.4	D278 D293 Y299	P276-D278 WeakPolarHBondContact CB-OD1 3.48Å; P276-D293 HydrophobicContact CB-CB 4.43Å; P276-D293 HydrophobicContact CG-CB 3.45Å; P276-D293 VanDerWaalsContact CG-CB 3.45Å; P276-Y299 HydrophobicContact CG-CE2 3.92Å
277	S	93.6	Very high	94.6	Very high	113 Å²	113	45.5 Å²	45.5	79%	0.79	28%	0.275	S	S	*	.	S	Bend	trans	-78.5	-18.4	-177.2	51.7	0	0	0	0	114	V279	S277-V279 PolarHBondContact O-N 2.73Å
278	D	95.1	Very high	95.4	Very high	61 Å²	61	41.5 Å²	41.5	33%	0.326	25%	0.246	S	C	.	.			trans	-102.1	48.5	-173.7	60.6	-16.7	0	0	0	112.4	P276 T280 D293 A294	P276-D278 WeakPolarHBondContact CB-OD1 3.48Å; D278-T280 PolarHBondContact O-N 2.81Å; D278-D293 CarbonylContact O-C 3.59Å; D278-D293 WeakPolarHBondContact O-CA 3.35Å; D278-A294 HydrophobicContact CB-CB 3.93Å; D278-A294 PolarHBondContact O-N 2.79Å; D278-A294 WeakPolarHBondContact OD2-CB 3.49Å
279	V	97.8	Very high	96.2	Very high	20 Å²	20	37.6 Å²	37.6	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.2	175.2	172.4	0	0	0	0	111.1	A236 V242 S277 V282 I291	A236-V279 HydrophobicContact CB-CG1 4.2Å; V242-V279 HydrophobicContact CG2-CB 4.33Å; V242-V279 HydrophobicContact CG2-CG1 4.35Å; V242-V279 HydrophobicContact CG2-CG2 3.8Å; S277-V279 PolarHBondContact O-N 2.73Å; V279-V282 HydrophobicContact CG1-CG1 3.92Å; V279-I291 HydrophobicContact CB-CG2 4.29Å; V279-I291 HydrophobicContact CG1-CG2 3.66Å; V279-I291 HydrophobicContact CG2-CG2 3.66Å
280	T	97.5	Very high	96.5	Very high	53 Å²	53	36.5 Å²	36.5	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-27.1	179.5	61.7	0	0	0	0	113.5	H225 D278 V292 D293 A294	H225-T280 PolarHBondContact CE1-O 2.82Å; H225-T280 PolarHBondContact NE2-O 2.71Å; D278-T280 PolarHBondContact O-N 2.81Å; T280-V292 PolarHBondContact N-O 3.39Å; T280-V292 PolarHBondContact OG1-O 3.47Å; T280-D293 PolarHBondContact OG1-O 2.98Å; T280-A294 HydrophobicContact CG2-CB 3.84Å
281	Q	98	Very high	96.7	Very high	45 Å²	45	34.6 Å²	34.6	21%	0.21	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.3	178.5	-71.3	171	84.1	0	0	111.5	I291 V292 V333	Q281-I291 WeakPolarHBondContact O-CA 3.42Å; Q281-V292 HydrophobicContact CB-CB 4.07Å; Q281-V292 HydrophobicContact CB-CG2 4.12Å; Q281-V292 PolarHBondContact N-O 3.4Å; Q281-V292 PolarHBondContact O-N 2.64Å; Q281-V333 PolarHBondContact NE2-O 2.76Å
282	V	98.4	Very high	96.8	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	166.7	-55.2	0	0	0	0	107.5	H225 A227 V234 A236 V279 I291	H225-V282 HydrophobicContact CB-CG1 4.44Å; H225-V282 HydrophobicContact CB-CG2 3.72Å; A227-V282 HydrophobicContact CB-CB 4.36Å; A227-V282 HydrophobicContact CB-CG2 3.8Å; A227-V282 WeakPolarHBondContact CB-O 3.26Å; V234-V282 HydrophobicContact CG1-CB 4.06Å; V234-V282 HydrophobicContact CG1-CG1 4.16Å; A236-V282 HydrophobicContact CB-CG1 3.81Å; V279-V282 HydrophobicContact CG1-CG1 3.92Å; V282-I291 HydrophobicContact CB-CD1 3.93Å; V282-I291 HydrophobicContact CG1-CD1 3.54Å
283	V	98.3	Very high	96.8	Very high	22 Å²	22	30.2 Å²	30.2	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.6	-178.6	-179	0	0	0	0	107.7	I290 C337	V283-I290 HydrophobicContact CB-CB 4.29Å; V283-I290 PolarHBondContact N-O 2.92Å; V283-I290 PolarHBondContact O-N 2.88Å; V283-C337 HydrophobicContact CG1-CB 4.12Å
284	C	97.8	Very high	96.9	Very high	12 Å²	12	27 Å²	27	8%	0.081	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.8	175.4	-67.6	0	0	0	0	108.3	A227 C228 G229 H232 V234	A227-C284 HydrophobicContact CB-CB 4.15Å; A227-C284 VanDerWaalsContact CB-SG 3.56Å; C228-C284 VanDerWaalsContact C-CB 3.43Å; G229-C284 VanDerWaalsContact N-CB 3.32Å; H232-C284 PolarHBondContact NE2-SG 3.45Å; V234-C284 VanDerWaalsContact CG2-SG 3.56Å
285	G	95.4	Very high	97	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	17%	0.174	C	C	.	.			trans	-80.8	-157.9	158.3	0	0	0	0	0	110.2	G229 H288 A339	G229-G285 WeakPolarHBondContact CA-O 3.49Å; G285-H288 PolarHBondContact N-O 3.13Å; G285-A339 WeakPolarHBondContact CA-O 3.39Å
286	M	92.7	Very high	97.1	Very high	22 Å²	22	27.3 Å²	27.3	11%	0.108	17%	0.167	C	C	.	.	S	Bend	trans	-63.5	-56.6	177.4	-70.1	-54.7	-136.1	0	0	111.8	A34 V161 K230 H232 A339 L449	A34-M286 HydrophobicContact CB-CE 3.43Å; A34-M286 VanDerWaalsContact CB-CE 3.43Å; V161-M286 HydrophobicContact CG2-SD 4.41Å; K230-M286 HydrophobicContact CB-CB 4.37Å; K230-M286 WeakPolarHBondContact CB-O 3.49Å; K230-M286 HydrophobicContact CB-SD 4.19Å; K230-M286 PolarHBondContact N-O 3.48Å; H232-M286 PolarHBondContact CE1-O 3.46Å; M286-A339 HydrophobicContact CG-CB 4.22Å; M286-A339 PolarHBondContact N-O 2.76Å; M286-L449 HydrophobicContact CE-CD1 3.75Å; M286-L449 HydrophobicContact CE-CD2 4.12Å
287	D	95.6	Very high	97.2	Very high	22 Å²	22	31 Å²	31	12%	0.118	18%	0.18	C	C	.	.	S	Bend	trans	-131.4	27.4	-171.3	-71.1	-57.7	0	0	0	111.9	K230 Y250 Q252 C303	K230-D287 IonicContact NZ-OD2 2.98Å; Y250-D287 HydrophobicContact CD2-CB 3.66Å; Y250-D287 HydrophobicContact CE2-CB 4.07Å; Q252-D287 WeakPolarHBondContact CB-O 3.49Å; Q252-D287 PolarHBondContact NE2-OD1 3.01Å; D287-C303 HydrophobicContact CB-CB 3.89Å; D287-C303 VanDerWaalsContact O-CB 3.22Å; D287-C303 WeakPolarHBondContact O-CB 3.34Å; D287-C303 PolarHBondContact O-N 3.12Å
288	H	97.2	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.9	175.5	72.2	-81.6	0	0	0	111.9	G285 F301 Q308 L309 C337 A339 D340	G285-H288 PolarHBondContact N-O 3.13Å; H288-F301 WeakPolarHBondContact CA-O 3.41Å; H288-Q308 HydrophobicContact CB-CG 4.33Å; H288-L309 HydrophobicContact CB-CD2 4.01Å; H288-C337 PolarHBondContact CE1-SG 2.96Å; H288-C337 PolarHBondContact NE2-SG 2.86Å; H288-A339 PolarHBondContact CE1-O 3Å; H288-D340 IonicContact ND1-OD1 3.66Å
289	T	98.6	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.5	-179.6	-63.5	0	0	0	0	110.2	H232 V234 Q252 I291 T300 F301	H232-T289 PolarHBondContact NE2-OG1 3.12Å; V234-T289 HydrophobicContact CG1-CG2 4.3Å; V234-T289 HydrophobicContact CG2-CG2 3.78Å; Q252-T289 PolarHBondContact O-OG1 3.18Å; T289-I291 HydrophobicContact CG2-CD1 3.88Å; T289-I291 HydrophobicContact CG2-CG1 4.2Å; T289-T300 VanDerWaalsContact O-CA 3.3Å; T289-T300 WeakPolarHBondContact O-CA 3.42Å; T289-F301 VanDerWaalsContact CB-CE2 3.48Å; T289-F301 VanDerWaalsContact CB-CZ 3.47Å; T289-F301 HydrophobicContact CG2-CE1 3.82Å; T289-F301 HydrophobicContact CG2-CE2 3.82Å; T289-F301 HydrophobicContact CG2-CZ 3.29Å; T289-F301 PolarHBondContact N-O 2.88Å; T289-F301 PolarHBondContact O-N 3.19Å; T289-F301 VanDerWaalsContact O-N 3.14Å
290	I	98.7	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.7	175.3	-43.1	-176.2	0	0	0	109.2	V283 V298 Y299 T300 V335 C337 V342	V283-I290 HydrophobicContact CB-CB 4.29Å; V283-I290 PolarHBondContact N-O 2.92Å; V283-I290 PolarHBondContact O-N 2.88Å; I290-V298 HydrophobicContact CG2-CG1 3.47Å; I290-V298 VanDerWaalsContact CG2-CG1 3.47Å; I290-Y299 CarbonylContact C-O 3.56Å; I290-Y299 WeakPolarHBondContact CA-O 3.38Å; I290-T300 HydrophobicContact CB-CG2 3.98Å; I290-T300 HydrophobicContact CD1-CG2 4.33Å; I290-T300 HydrophobicContact CG1-CG2 3.73Å; I290-T300 HydrophobicContact CG2-CG2 3.68Å; I290-V335 HydrophobicContact CB-CG1 4.5Å; I290-V335 HydrophobicContact CD1-CG1 3.79Å; I290-V335 HydrophobicContact CG2-CB 4.48Å; I290-V335 HydrophobicContact CG2-CG1 4.01Å; I290-V335 HydrophobicContact CG2-CG2 4.42Å; I290-C337 HydrophobicContact CD1-CB 4.2Å; I290-V342 HydrophobicContact CD1-CB 4.45Å; I290-V342 HydrophobicContact CD1-CG1 3.65Å; I290-V342 HydrophobicContact CD1-CG2 3.87Å
291	I	98.7	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139	178.4	-52.6	-66.7	0	0	0	108.3	V234 V242 L275 V279 Q281 V282 T289 V298 Y299 F301	V234-I291 HydrophobicContact CG1-CD1 4.16Å; V242-I291 HydrophobicContact CG1-CD1 4.27Å; L275-I291 HydrophobicContact CD1-CG1 4.02Å; L275-I291 HydrophobicContact CD1-CG2 4.48Å; L275-I291 HydrophobicContact CD2-CB 4.15Å; L275-I291 HydrophobicContact CD2-CG1 4.13Å; L275-I291 HydrophobicContact CD2-CG2 4.17Å; V279-I291 HydrophobicContact CB-CG2 4.29Å; V279-I291 HydrophobicContact CG1-CG2 3.66Å; V279-I291 HydrophobicContact CG2-CG2 3.66Å; Q281-I291 WeakPolarHBondContact O-CA 3.42Å; V282-I291 HydrophobicContact CB-CD1 3.93Å; V282-I291 HydrophobicContact CG1-CD1 3.54Å; T289-I291 HydrophobicContact CG2-CD1 3.88Å; T289-I291 HydrophobicContact CG2-CG1 4.2Å; I291-V298 CarbonylContact O-C 3.46Å; I291-V298 WeakPolarHBondContact O-CA 3.48Å; I291-Y299 PolarHBondContact N-O 3.05Å; I291-Y299 PolarHBondContact O-N 2.75Å; I291-F301 HydrophobicContact CG1-CE1 3.95Å; I291-F301 HydrophobicContact CG1-CZ 4.43Å
292	V	98.6	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.5	171.9	-167.6	0	0	0	0	108.8	T280 Q281 K297 V298 V335	T280-V292 PolarHBondContact N-O 3.39Å; T280-V292 PolarHBondContact OG1-O 3.47Å; Q281-V292 HydrophobicContact CB-CB 4.07Å; Q281-V292 HydrophobicContact CB-CG2 4.12Å; Q281-V292 PolarHBondContact N-O 3.4Å; Q281-V292 PolarHBondContact O-N 2.64Å; V292-K297 WeakPolarHBondContact CA-O 3.34Å; V292-V298 HydrophobicContact CG2-CG2 4.41Å; V292-V335 HydrophobicContact CG2-CB 4.33Å; V292-V335 HydrophobicContact CG2-CG2 3.7Å
293	D	97.9	Very high	97.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	179.5	175.1	78.4	3.6	0	0	0	112.3	P276 D278 T280 N295 G296 K297 Y299	P276-D293 HydrophobicContact CB-CB 4.43Å; P276-D293 HydrophobicContact CG-CB 3.45Å; P276-D293 VanDerWaalsContact CG-CB 3.45Å; D278-D293 CarbonylContact O-C 3.59Å; D278-D293 WeakPolarHBondContact O-CA 3.35Å; T280-D293 PolarHBondContact OG1-O 2.98Å; D293-N295 VanDerWaalsContact C-N 3.26Å; D293-N295 PolarHBondContact O-N 2.84Å; D293-N295 VanDerWaalsContact OD1-C 3.29Å; D293-N295 VanDerWaalsContact OD1-CA 3.31Å; D293-N295 WeakPolarHBondContact OD1-CA 3.34Å; D293-N295 WeakPolarHBondContact OD1-CB 3.37Å; D293-N295 PolarHBondContact OD1-N 2.61Å; D293-G296 PolarHBondContact O-N 3.41Å; D293-G296 PolarHBondContact OD1-N 3.24Å; D293-K297 PolarHBondContact N-O 3.18Å; D293-K297 VanDerWaalsContact N-O 3.1Å; D293-K297 PolarHBondContact OD1-N 3.09Å; D293-Y299 HydrophobicContact CB-CE2 4.21Å
294	A	97.3	Very high	97.4	Very high	46 Å²	46	16.9 Å²	16.9	38%	0.38	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17	179.4	0	0	0	0	0	113.6	D278 T280	D278-A294 HydrophobicContact CB-CB 3.93Å; D278-A294 PolarHBondContact O-N 2.79Å; D278-A294 WeakPolarHBondContact OD2-CB 3.49Å; T280-A294 HydrophobicContact CG2-CB 3.84Å
295	N	97.9	Very high	97.2	Very high	103 Å²	103	20.9 Å²	20.9	55%	0.551	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-4.9	173.6	-58	-62.2	0	0	0	112.1	D293	D293-N295 VanDerWaalsContact C-N 3.26Å; D293-N295 PolarHBondContact O-N 2.84Å; D293-N295 VanDerWaalsContact OD1-C 3.29Å; D293-N295 VanDerWaalsContact OD1-CA 3.31Å; D293-N295 WeakPolarHBondContact OD1-CA 3.34Å; D293-N295 WeakPolarHBondContact OD1-CB 3.37Å; D293-N295 PolarHBondContact OD1-N 2.61Å
296	G	98.2	Very high	97.1	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	12%	0.117	C	C	.	.			trans	78.5	17.6	-178.7	0	0	0	0	0	113.9	D293 I332	D293-G296 PolarHBondContact O-N 3.41Å; D293-G296 PolarHBondContact OD1-N 3.24Å; G296-I332 WeakPolarHBondContact CA-O 3.17Å; G296-I332 VanDerWaalsContact O-CB 3.3Å; G296-I332 WeakPolarHBondContact O-CB 3.36Å; G296-I332 PolarHBondContact O-N 2.84Å
297	K	98.5	Very high	97.2	Very high	110 Å²	110	21.1 Å²	21.1	48%	0.478	11%	0.111	S	C	.	.			trans	-77.3	139.4	170.1	-66.9	-179.4	179.8	177.1	0	109.8	V292 D293 Y299	V292-K297 WeakPolarHBondContact CA-O 3.34Å; D293-K297 PolarHBondContact N-O 3.18Å; D293-K297 VanDerWaalsContact N-O 3.1Å; D293-K297 PolarHBondContact OD1-N 3.09Å; K297-Y299 HydrophobicContact CB-CE2 3.8Å
298	V	98.7	Very high	97.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.5	178.4	-176.3	0	0	0	0	108.7	I290 I291 V292 T300 V322 V323 I327 I332 V335 W354	I290-V298 HydrophobicContact CG2-CG1 3.47Å; I290-V298 VanDerWaalsContact CG2-CG1 3.47Å; I291-V298 CarbonylContact O-C 3.46Å; I291-V298 WeakPolarHBondContact O-CA 3.48Å; V292-V298 HydrophobicContact CG2-CG2 4.41Å; V298-T300 HydrophobicContact CG1-CG2 4.24Å; V298-V322 CarbonylContact O-C 3.53Å; V298-V322 WeakPolarHBondContact O-CA 3.3Å; V298-V323 HydrophobicContact CB-CB 4.25Å; V298-V323 HydrophobicContact CB-CG2 4.22Å; V298-V323 HydrophobicContact CG1-CB 4.37Å; V298-V323 HydrophobicContact CG1-CG2 3.87Å; V298-V323 PolarHBondContact O-N 3.49Å; V298-I327 HydrophobicContact CB-CD1 4.22Å; V298-I327 HydrophobicContact CG2-CD1 4.11Å; V298-I332 HydrophobicContact CG2-CB 3.78Å; V298-I332 HydrophobicContact CG2-CG1 3.73Å; V298-I332 HydrophobicContact CG2-CG2 3.82Å; V298-V335 HydrophobicContact CG1-CG2 4.47Å; V298-V335 HydrophobicContact CG2-CG2 4.22Å; V298-W354 HydrophobicContact CG1-CZ2 4.5Å
299	Y	98.6	Very high	97.3	Very high	25 Å²	25	20.1 Å²	20.1	10%	0.098	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.4	174.9	-58.8	-107.3	0	0	0	108.6	L275 P276 I290 I291 D293 K297 K321 V322	L275-Y299 HydrophobicContact CD2-CD1 4.06Å; L275-Y299 HydrophobicContact CD2-CD2 4.45Å; L275-Y299 HydrophobicContact CD2-CG 3.88Å; P276-Y299 HydrophobicContact CG-CE2 3.92Å; I290-Y299 CarbonylContact C-O 3.56Å; I290-Y299 WeakPolarHBondContact CA-O 3.38Å; I291-Y299 PolarHBondContact N-O 3.05Å; I291-Y299 PolarHBondContact O-N 2.75Å; D293-Y299 HydrophobicContact CB-CE2 4.21Å; K297-Y299 HydrophobicContact CB-CE2 3.8Å; Y299-K321 WeakPolarHBondContact CA-O 3.47Å; Y299-V322 HydrophobicContact CD1-CG2 3.74Å; Y299-V322 HydrophobicContact CE1-CG2 3.35Å; Y299-V322 HydrophobicContact CG-CG2 4.49Å
300	T	98.6	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.5	176.4	50.9	0	0	0	0	111.6	T289 I290 V298 L309 Y311 K321 V323	T289-T300 VanDerWaalsContact O-CA 3.3Å; T289-T300 WeakPolarHBondContact O-CA 3.42Å; I290-T300 HydrophobicContact CB-CG2 3.98Å; I290-T300 HydrophobicContact CD1-CG2 4.33Å; I290-T300 HydrophobicContact CG1-CG2 3.73Å; I290-T300 HydrophobicContact CG2-CG2 3.68Å; V298-T300 HydrophobicContact CG1-CG2 4.24Å; T300-L309 PolarHBondContact OG1-O 3.37Å; T300-Y311 WeakPolarHBondContact CA-OH 3.48Å; T300-Y311 WeakPolarHBondContact CB-OH 3.28Å; T300-Y311 PolarHBondContact O-OH 3.46Å; T300-Y311 WeakPolarHBondContact OG1-CE1 3.22Å; T300-Y311 PolarHBondContact OG1-OH 3.3Å; T300-K321 PolarHBondContact N-O 3.37Å; T300-K321 PolarHBondContact O-N 2.73Å; T300-V323 HydrophobicContact CG2-CG2 3.65Å; T300-V323 VanDerWaalsContact OG1-CG2 3.23Å; T300-V323 WeakPolarHBondContact OG1-CG2 3.3Å
301	F	98.4	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	159.1	174.1	49.9	-83	0	0	0	109.8	Q252 I272 H288 T289 I291 N317 P320	Q252-F301 WeakPolarHBondContact O-CE2 3.42Å; I272-F301 HydrophobicContact CD1-CE2 3.9Å; I272-F301 HydrophobicContact CD1-CZ 3.52Å; I272-F301 HydrophobicContact CG2-CZ 4.34Å; H288-F301 WeakPolarHBondContact CA-O 3.41Å; T289-F301 VanDerWaalsContact CB-CE2 3.48Å; T289-F301 VanDerWaalsContact CB-CZ 3.47Å; T289-F301 HydrophobicContact CG2-CE1 3.82Å; T289-F301 HydrophobicContact CG2-CE2 3.82Å; T289-F301 HydrophobicContact CG2-CZ 3.29Å; T289-F301 PolarHBondContact N-O 2.88Å; T289-F301 PolarHBondContact O-N 3.19Å; T289-F301 VanDerWaalsContact O-N 3.14Å; I291-F301 HydrophobicContact CG1-CE1 3.95Å; I291-F301 HydrophobicContact CG1-CZ 4.43Å; F301-N317 CarbonylContact C-O 3.47Å; F301-N317 VanDerWaalsContact CA-O 3.26Å; F301-N317 WeakPolarHBondContact CA-O 3.33Å; F301-N317 VanDerWaalsContact CB-O 3.27Å; F301-N317 WeakPolarHBondContact CB-O 3.25Å; F301-P320 HydrophobicContact CD1-CB 3.82Å; F301-P320 HydrophobicContact CD1-CG 3.72Å; F301-P320 HydrophobicContact CE1-CB 4.22Å; F301-P320 HydrophobicContact CE1-CG 3.93Å; F301-P320 HydrophobicContact CG-CG 4.32Å
302	G	97.9	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.2	-144.4	-174.4	0	0	0	0	0	113.1	Y250 L309 S316 N317	Y250-G302 CarbonylContact O-C 3.12Å; Y250-G302 VanDerWaalsContact O-CA 3.23Å; Y250-G302 WeakPolarHBondContact O-CA 3.41Å; G302-L309 WeakPolarHBondContact O-CD1 3.3Å; G302-S316 WeakPolarHBondContact O-CA 3.48Å; G302-S316 VanDerWaalsContact O-CB 3.24Å; G302-S316 WeakPolarHBondContact O-CB 3.33Å; G302-N317 PolarHBondContact N-O 2.75Å; G302-N317 PolarHBondContact O-N 3.08Å
303	C	96	Very high	96.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.02	16%	0.155	C	C	.	.			trans	-67	136.4	-180	-171.2	0	0	0	0	112.3	Y250 D287 M305 Q308 L309	Y250-C303 HydrophobicContact CD1-CB 4.34Å; Y250-C303 HydrophobicContact CD2-CB 4.35Å; Y250-C303 HydrophobicContact CG-CB 3.93Å; D287-C303 HydrophobicContact CB-CB 3.89Å; D287-C303 VanDerWaalsContact O-CB 3.22Å; D287-C303 WeakPolarHBondContact O-CB 3.34Å; D287-C303 PolarHBondContact O-N 3.12Å; C303-M305 WeakPolarHBondContact SG-CE 3.5Å; C303-Q308 VanDerWaalsContact O-CD 3.27Å; C303-Q308 WeakPolarHBondContact O-CG 3.41Å; C303-L309 WeakPolarHBondContact O-CD2 3.45Å; C303-L309 WeakPolarHBondContact O-CG 3.49Å
304	A	95.1	Very high	96.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.174	C	C	.	.			trans	-122.5	6.5	179.2	0	0	0	0	0	114.5	D306 G307 Q308 L309 S314 W315	A304-D306 PolarHBondContact O-N 3.08Å; A304-D306 VanDerWaalsContact O-N 3.11Å; A304-G307 PolarHBondContact O-N 3.37Å; A304-Q308 VanDerWaalsContact CA-OE1 3.28Å; A304-Q308 PolarHBondContact O-OE1 3.34Å; A304-L309 HydrophobicContact CB-CB 4.23Å; A304-L309 HydrophobicContact CB-CD1 3.59Å; A304-L309 HydrophobicContact CB-CG 3.72Å; A304-S314 WeakPolarHBondContact O-CA 3.39Å; A304-W315 VanDerWaalsContact CB-C 3.5Å; A304-W315 VanDerWaalsContact CB-O 3.23Å; A304-W315 WeakPolarHBondContact CB-O 3.39Å
305	M	92.7	Very high	95.9	Very high	96 Å²	96	40.6 Å²	40.6	47%	0.473	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.7	-168.1	-67.7	-171.6	-69.1	0	0	113.7	Y250 C303 Q370	Y250-M305 HydrophobicContact CE1-CE 4.12Å; C303-M305 WeakPolarHBondContact SG-CE 3.5Å; M305-Q370 PolarHBondContact O-NE2 2.88Å
306	D	93.1	Very high	95.7	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.15	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8.3	179.4	-65.2	-54.4	0	0	0	113.3	A304 D340 G355 N356 Q370	A304-D306 PolarHBondContact O-N 3.08Å; A304-D306 VanDerWaalsContact O-N 3.11Å; D306-D340 HydrophobicContact CB-CB 4.36Å; D306-G355 CarbonylContact O-C 3.56Å; D306-G355 VanDerWaalsContact O-CA 3.26Å; D306-G355 WeakPolarHBondContact O-CA 3.36Å; D306-N356 HydrophobicContact CB-CB 4.01Å; D306-N356 PolarHBondContact O-N 2.74Å; D306-Q370 HydrophobicContact CB-CG 4.36Å; D306-Q370 PolarHBondContact OD1-NE2 3.07Å
307	G	95.5	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	81.6	10.9	-177.8	0	0	0	0	0	114.6	A304 L309 G310	A304-G307 PolarHBondContact O-N 3.37Å; G307-L309 PolarHBondContact O-N 2.95Å; G307-G310 PolarHBondContact O-N 2.92Å
308	Q	96.1	Very high	95.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.3	-177.3	61.1	-89.8	74.9	0	0	114.1	H288 C303 A304 D340 V342 W354	H288-Q308 HydrophobicContact CB-CG 4.33Å; C303-Q308 VanDerWaalsContact O-CD 3.27Å; C303-Q308 WeakPolarHBondContact O-CG 3.41Å; A304-Q308 VanDerWaalsContact CA-OE1 3.28Å; A304-Q308 PolarHBondContact O-OE1 3.34Å; Q308-D340 WeakPolarHBondContact CB-O 3.26Å; Q308-D340 PolarHBondContact NE2-OD1 2.92Å; Q308-V342 HydrophobicContact CB-CG2 4.31Å; Q308-W354 PolarHBondContact O-NE1 3.33Å
309	L	98.1	Very high	95.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.8	171.9	-60.6	-165.1	0	0	0	114.6	H288 T300 G302 C303 A304 G307 Y311 N317	H288-L309 HydrophobicContact CB-CD2 4.01Å; T300-L309 PolarHBondContact OG1-O 3.37Å; G302-L309 WeakPolarHBondContact O-CD1 3.3Å; C303-L309 WeakPolarHBondContact O-CD2 3.45Å; C303-L309 WeakPolarHBondContact O-CG 3.49Å; A304-L309 HydrophobicContact CB-CB 4.23Å; A304-L309 HydrophobicContact CB-CD1 3.59Å; A304-L309 HydrophobicContact CB-CG 3.72Å; G307-L309 PolarHBondContact O-N 2.95Å; L309-Y311 HydrophobicContact CB-CD2 4.03Å; L309-Y311 HydrophobicContact CB-CE1 4.34Å; L309-Y311 HydrophobicContact CB-CE2 3.38Å; L309-Y311 HydrophobicContact CD1-CE2 3.63Å; L309-Y311 HydrophobicContact CG-CE2 4.13Å; L309-Y311 WeakPolarHBondContact O-CD1 3.47Å; L309-Y311 WeakPolarHBondContact O-CE1 3.32Å; L309-Y311 VanDerWaalsContact O-CZ 3.3Å; L309-Y311 PolarHBondContact O-N 2.92Å; L309-N317 HydrophobicContact CD1-CB 4.23Å
310	G	97.3	Very high	95.5	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.031	21%	0.213	C	C	.	.			trans	73	20.6	170.6	0	0	0	0	0	118	G307 F372 P374	G307-G310 PolarHBondContact O-N 2.92Å; G310-F372 CarbonylContact C-O 2.99Å; G310-F372 VanDerWaalsContact CA-O 3.23Å; G310-F372 WeakPolarHBondContact CA-O 3.47Å; G310-P374 VanDerWaalsContact O-CD 3.32Å; G310-P374 WeakPolarHBondContact O-CD 3.3Å
311	Y	93.8	Very high	95.4	Very high	32 Å²	32	49.5 Å²	49.5	13%	0.125	24%	0.235	C	C	.	.	S	Bend	trans	-122.4	43.3	176	12.9	-96.7	0	0	0	115.6	T300 L309 S313 K321 V323 F372	T300-Y311 WeakPolarHBondContact CA-OH 3.48Å; T300-Y311 WeakPolarHBondContact CB-OH 3.28Å; T300-Y311 PolarHBondContact O-OH 3.46Å; T300-Y311 WeakPolarHBondContact OG1-CE1 3.22Å; T300-Y311 PolarHBondContact OG1-OH 3.3Å; L309-Y311 HydrophobicContact CB-CD2 4.03Å; L309-Y311 HydrophobicContact CB-CE1 4.34Å; L309-Y311 HydrophobicContact CB-CE2 3.38Å; L309-Y311 HydrophobicContact CD1-CE2 3.63Å; L309-Y311 HydrophobicContact CG-CE2 4.13Å; L309-Y311 WeakPolarHBondContact O-CD1 3.47Å; L309-Y311 WeakPolarHBondContact O-CE1 3.32Å; L309-Y311 VanDerWaalsContact O-CZ 3.3Å; L309-Y311 PolarHBondContact O-N 2.92Å; Y311-S313 PolarHBondContact O-N 3.19Å; Y311-S313 VanDerWaalsContact O-N 3.14Å; Y311-K321 HydrophobicContact CD1-CB 4.42Å; Y311-K321 HydrophobicContact CD1-CD 4.05Å; Y311-K321 HydrophobicContact CD1-CG 4.12Å; Y311-K321 HydrophobicContact CD2-CD 3.96Å; Y311-K321 HydrophobicContact CE1-CB 3.84Å; Y311-K321 HydrophobicContact CE1-CD 4.25Å; Y311-K321 HydrophobicContact CE1-CG 4.05Å; Y311-K321 WeakPolarHBondContact CE1-O 3.46Å; Y311-K321 HydrophobicContact CE2-CB 4.35Å; Y311-K321 HydrophobicContact CE2-CD 4.16Å; Y311-K321 HydrophobicContact CG-CD 3.9Å; Y311-K321 HydrophobicContact CG-CG 4.48Å; Y311-V323 HydrophobicContact CD1-CG2 4.32Å; Y311-V323 HydrophobicContact CE1-CG2 3.9Å; Y311-F372 PolarHBondContact N-O 2.79Å; Y311-F372 VanDerWaalsContact N-O 3.14Å
312	K	92.8	Very high	95.4	Very high	148 Å²	148	52.1 Å²	52.1	64%	0.643	25%	0.251	S	S	*	.	S	Bend	trans	58.2	29.6	170.3	-56.7	-178.1	-179.2	-162	0	114	F372 E373	K312-F372 PolarHBondContact N-O 2.71Å; K312-E373 WeakPolarHBondContact CE-OE2 3.43Å; K312-E373 HydrophobicContact CG-CB 4.13Å; K312-E373 IonicContact NZ-OE2 2.68Å; K312-E373 PolarHBondContact NZ-OE2 2.91Å
313	S	91.7	Very high	95.4	Very high	31 Å²	31	52.3 Å²	52.3	22%	0.217	25%	0.252	C	S	.	.			trans	-143.2	140.9	-179.5	-177.2	0	0	0	0	110.2	Y311 W315 F372	Y311-S313 PolarHBondContact O-N 3.19Å; Y311-S313 VanDerWaalsContact O-N 3.14Å; S313-W315 PolarHBondContact OG-N 2.86Å; S313-F372 WeakPolarHBondContact O-CD1 3.4Å
314	S	91.2	Very high	95.4	Very high	62 Å²	62	56.8 Å²	56.8	43%	0.434	27%	0.272	S	S	.	.			trans	-90.9	-0.5	171.8	55	0	0	0	0	113.2	A304	A304-S314 WeakPolarHBondContact O-CA 3.39Å
315	W	94.4	Very high	95.5	Very high	204 Å²	204	58.2 Å²	58.2	77%	0.773	29%	0.287	S	S	*	.	S	Bend	trans	-84	127.2	177.5	-62.2	-57.5	0	0	0	110.9	A304 S313	A304-W315 VanDerWaalsContact CB-C 3.5Å; A304-W315 VanDerWaalsContact CB-O 3.23Å; A304-W315 WeakPolarHBondContact CB-O 3.39Å; S313-W315 PolarHBondContact OG-N 2.86Å
316	S	94	Very high	95.7	Very high	37 Å²	37	57.7 Å²	57.7	26%	0.259	29%	0.286	S	S	.	.			trans	-56	145	171.6	-57	0	0	0	0	110.8	Y250 G302	Y250-S316 WeakPolarHBondContact O-CB 3.47Å; G302-S316 WeakPolarHBondContact O-CA 3.48Å; G302-S316 VanDerWaalsContact O-CB 3.24Å; G302-S316 WeakPolarHBondContact O-CB 3.33Å
317	N	96.1	Very high	95.9	Very high	37 Å²	37	56.7 Å²	56.7	20%	0.198	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.3	-178.7	178.5	21.6	0	0	0	109.4	F301 G302 L309 Q319	F301-N317 CarbonylContact C-O 3.47Å; F301-N317 VanDerWaalsContact CA-O 3.26Å; F301-N317 WeakPolarHBondContact CA-O 3.33Å; F301-N317 VanDerWaalsContact CB-O 3.27Å; F301-N317 WeakPolarHBondContact CB-O 3.25Å; G302-N317 PolarHBondContact N-O 2.75Å; G302-N317 PolarHBondContact O-N 3.08Å; L309-N317 HydrophobicContact CD1-CB 4.23Å; N317-Q319 PolarHBondContact ND2-O 3.38Å; N317-Q319 PolarHBondContact OD1-N 3.35Å
318	W	96.6	Very high	96	Very high	102 Å²	102	62.5 Å²	62.5	39%	0.386	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-16.6	177.6	58.8	86.1	0	0	0	113.8	G251 G254 R255 I257	G251-W318 WeakPolarHBondContact O-CA 3.15Å; G254-W318 CarbonylContact C-O 3.19Å; G254-W318 WeakPolarHBondContact CA-O 3.38Å; R255-W318 WeakPolarHBondContact O-CB 3.29Å; I257-W318 HydrophobicContact CD1-CE3 4.15Å; I257-W318 HydrophobicContact CG1-CE3 4.18Å
319	Q	97.5	Very high	96.1	Very high	125 Å²	125	69.4 Å²	69.4	58%	0.584	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.6	179.3	-64.3	-177.4	-34	0	0	109.7	N317 K321	N317-Q319 PolarHBondContact ND2-O 3.38Å; N317-Q319 PolarHBondContact OD1-N 3.35Å; Q319-K321 PolarHBondContact O-N 3.21Å; Q319-K321 VanDerWaalsContact O-N 3.15Å
320	P	98	Very high	96.1	Very high	26 Å²	26	71.4 Å²	71.4	17%	0.169	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	123.8	174.6	-25.5	33.6	0	0	0	111.2	I272 L275 F301	I272-P320 HydrophobicContact CG2-CG 3.51Å; L275-P320 HydrophobicContact CD2-CB 3.69Å; L275-P320 HydrophobicContact CD2-CG 4.13Å; L275-P320 HydrophobicContact CG-CB 4.18Å; L275-P320 HydrophobicContact CG-CG 4.09Å; F301-P320 HydrophobicContact CD1-CB 3.82Å; F301-P320 HydrophobicContact CD1-CG 3.72Å; F301-P320 HydrophobicContact CE1-CB 4.22Å; F301-P320 HydrophobicContact CE1-CG 3.93Å; F301-P320 HydrophobicContact CG-CG 4.32Å
321	K	97.7	Very high	96.1	Very high	103 Å²	103	76 Å²	76	45%	0.448	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	-179.7	-175.5	175.6	178.6	-178.1	0	109.8	Y299 T300 Y311 Q319 V323	Y299-K321 WeakPolarHBondContact CA-O 3.47Å; T300-K321 PolarHBondContact N-O 3.37Å; T300-K321 PolarHBondContact O-N 2.73Å; Y311-K321 HydrophobicContact CD1-CB 4.42Å; Y311-K321 HydrophobicContact CD1-CD 4.05Å; Y311-K321 HydrophobicContact CD1-CG 4.12Å; Y311-K321 HydrophobicContact CD2-CD 3.96Å; Y311-K321 HydrophobicContact CE1-CB 3.84Å; Y311-K321 HydrophobicContact CE1-CD 4.25Å; Y311-K321 HydrophobicContact CE1-CG 4.05Å; Y311-K321 WeakPolarHBondContact CE1-O 3.46Å; Y311-K321 HydrophobicContact CE2-CB 4.35Å; Y311-K321 HydrophobicContact CE2-CD 4.16Å; Y311-K321 HydrophobicContact CG-CD 3.9Å; Y311-K321 HydrophobicContact CG-CG 4.48Å; Q319-K321 PolarHBondContact O-N 3.21Å; Q319-K321 VanDerWaalsContact O-N 3.15Å; K321-V323 PolarHBondContact O-N 3.43Å
322	V	97.8	Very high	96.4	Very high	55 Å²	55	74.7 Å²	74.7	33%	0.333	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129	175.3	179	0	0	0	0	109.2	V298 Y299	V298-V322 CarbonylContact O-C 3.53Å; V298-V322 WeakPolarHBondContact O-CA 3.3Å; Y299-V322 HydrophobicContact CD1-CG2 3.74Å; Y299-V322 HydrophobicContact CE1-CG2 3.35Å; Y299-V322 HydrophobicContact CG-CG2 4.49Å
323	V	98.3	Very high	96.6	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.024	35%	0.354	C	S	.	.			trans	-78.8	129.3	174.2	-170.1	0	0	0	0	108.9	V298 T300 Y311 K321 I327 W354 P374	V298-V323 HydrophobicContact CB-CB 4.25Å; V298-V323 HydrophobicContact CB-CG2 4.22Å; V298-V323 HydrophobicContact CG1-CB 4.37Å; V298-V323 HydrophobicContact CG1-CG2 3.87Å; V298-V323 PolarHBondContact O-N 3.49Å; T300-V323 HydrophobicContact CG2-CG2 3.65Å; T300-V323 VanDerWaalsContact OG1-CG2 3.23Å; T300-V323 WeakPolarHBondContact OG1-CG2 3.3Å; Y311-V323 HydrophobicContact CD1-CG2 4.32Å; Y311-V323 HydrophobicContact CE1-CG2 3.9Å; K321-V323 PolarHBondContact O-N 3.43Å; V323-I327 HydrophobicContact CB-CD1 3.99Å; V323-I327 HydrophobicContact CG1-CD1 3.81Å; V323-I327 HydrophobicContact CG1-CG1 4.43Å; V323-W354 HydrophobicContact CG1-CZ2 4.48Å; V323-P374 HydrophobicContact CG1-CG 3.37Å
324	E	96.5	Very high	97	Very high	97 Å²	97	71 Å²	71	45%	0.453	35%	0.352	S	S	.	.			trans	-108.9	-136.6	178.5	-60.3	-164.7	131.1	0	0	110.7	I327 K328 P374	E324-I327 VanDerWaalsContact O-CG1 3.25Å; E324-I327 WeakPolarHBondContact O-CG1 3.42Å; E324-K328 HydrophobicContact CB-CB 4.37Å; E324-K328 HydrophobicContact CB-CD 4.38Å; E324-K328 HydrophobicContact CG-CD 4.37Å; E324-K328 WeakPolarHBondContact OE1-CE 3.41Å; E324-K328 IonicContact OE1-NZ 3.46Å; E324-K328 PolarHBondContact OE1-NZ 2.91Å; E324-K328 IonicContact OE2-NZ 3.03Å; E324-P374 WeakPolarHBondContact O-CD 3.48Å; E324-P374 VanDerWaalsContact O-CG 3.27Å; E324-P374 WeakPolarHBondContact O-CG 3.49Å
325	G	95.4	Very high	97.3	Very high	30 Å²	30	68.3 Å²	68.3	31%	0.309	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	71.8	-146.2	-172.5	0	0	0	0	0	111.5	I327 K328	G325-I327 PolarHBondContact O-N 3.32Å; G325-I327 VanDerWaalsContact O-N 3.11Å; G325-K328 WeakPolarHBondContact O-CB 3.43Å; G325-K328 PolarHBondContact O-N 2.78Å; G325-K328 VanDerWaalsContact O-N 3.12Å
326	D	97.6	Very high	97.5	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.2	-16.7	-174.9	-71.3	-4.7	0	0	0	113.4	F352 P374 R375 H376	D326-F352 HydrophobicContact CB-CD1 3.83Å; D326-F352 HydrophobicContact CB-CE1 3.88Å; D326-P374 WeakPolarHBondContact CB-O 3.46Å; D326-P374 PolarHBondContact N-O 3.26Å; D326-R375 WeakPolarHBondContact OD2-CA 3.44Å; D326-H376 HydrophobicContact CB-CB 4.46Å; D326-H376 PolarHBondContact OD2-N 2.9Å
327	I	98.1	Very high	97.6	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.036	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-91	-2.5	177.9	65.1	170.8	0	0	0	114.2	V298 V323 E324 G325 N329 E330 I332 F352 W354 P374	V298-I327 HydrophobicContact CB-CD1 4.22Å; V298-I327 HydrophobicContact CG2-CD1 4.11Å; V323-I327 HydrophobicContact CB-CD1 3.99Å; V323-I327 HydrophobicContact CG1-CD1 3.81Å; V323-I327 HydrophobicContact CG1-CG1 4.43Å; E324-I327 VanDerWaalsContact O-CG1 3.25Å; E324-I327 WeakPolarHBondContact O-CG1 3.42Å; G325-I327 PolarHBondContact O-N 3.32Å; G325-I327 VanDerWaalsContact O-N 3.11Å; I327-N329 PolarHBondContact O-N 2.85Å; I327-N329 VanDerWaalsContact O-N 3.13Å; I327-E330 PolarHBondContact O-N 2.96Å; I327-I332 HydrophobicContact CB-CD1 4.09Å; I327-I332 HydrophobicContact CB-CG1 4.34Å; I327-I332 HydrophobicContact CG2-CD1 3.95Å; I327-F352 HydrophobicContact CG2-CB 3.49Å; I327-F352 VanDerWaalsContact CG2-CB 3.49Å; I327-F352 HydrophobicContact CG2-CD1 3.51Å; I327-F352 HydrophobicContact CG2-CD2 3.67Å; I327-F352 HydrophobicContact CG2-CE1 4.14Å; I327-F352 HydrophobicContact CG2-CE2 4.3Å; I327-F352 HydrophobicContact CG2-CG 3.25Å; I327-W354 HydrophobicContact CD1-CH2 4.02Å; I327-W354 HydrophobicContact CD1-CZ3 4.15Å; I327-P374 HydrophobicContact CD1-CB 4.29Å; I327-P374 HydrophobicContact CD1-CG 3.93Å; I327-P374 HydrophobicContact CG1-CB 3.98Å; I327-P374 HydrophobicContact CG1-CG 3.91Å; I327-P374 HydrophobicContact CG2-CB 4.02Å
328	K	97.3	Very high	97.1	Very high	121 Å²	121	57.4 Å²	57.4	53%	0.526	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.5	-173	177.6	170.4	178.9	151.1	0	114	E324 G325	E324-K328 HydrophobicContact CB-CB 4.37Å; E324-K328 HydrophobicContact CB-CD 4.38Å; E324-K328 HydrophobicContact CG-CD 4.37Å; E324-K328 WeakPolarHBondContact OE1-CE 3.41Å; E324-K328 IonicContact OE1-NZ 3.46Å; E324-K328 PolarHBondContact OE1-NZ 2.91Å; E324-K328 IonicContact OE2-NZ 3.03Å; G325-K328 WeakPolarHBondContact O-CB 3.43Å; G325-K328 PolarHBondContact O-N 2.78Å; G325-K328 VanDerWaalsContact O-N 3.12Å
329	N	97.4	Very high	96.9	Very high	146 Å²	146	53.1 Å²	53.1	78%	0.781	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	16.2	-178.7	-60.6	-40.3	0	0	0	112.5	I327	I327-N329 PolarHBondContact O-N 2.85Å; I327-N329 VanDerWaalsContact O-N 3.13Å
330	E	98.2	Very high	96.8	Very high	44 Å²	44	48.7 Å²	48.7	21%	0.206	26%	0.26	C	S	.	.	S	Bend	trans	-104.2	148.1	179.6	-66.6	-62.6	145.5	0	0	110.4	I327 I332 K348 F352	I327-E330 PolarHBondContact O-N 2.96Å; E330-I332 HydrophobicContact CB-CD1 4.08Å; E330-I332 PolarHBondContact O-N 2.94Å; E330-K348 IonicContact OE1-NZ 2.61Å; E330-K348 PolarHBondContact OE1-NZ 2.73Å; E330-K348 IonicContact OE2-NZ 2.78Å; E330-K348 PolarHBondContact OE2-NZ 3.45Å; E330-F352 HydrophobicContact CG-CE1 4.38Å; E330-F352 HydrophobicContact CG-CE2 4.09Å; E330-F352 HydrophobicContact CG-CZ 3.65Å
331	K	98.5	Very high	96.6	Very high	100 Å²	100	47.5 Å²	47.5	44%	0.435	25%	0.252	S	S	.	.			trans	-93.9	97.9	172.2	-178.9	174.9	-177.1	179.2	0	108.5	S346 D347	K331-S346 CarbonylContact O-C 3.46Å; K331-S346 VanDerWaalsContact O-CA 3.3Å; K331-S346 WeakPolarHBondContact O-CA 3.18Å; K331-D347 HydrophobicContact CB-CB 4.47Å; K331-D347 PolarHBondContact O-N 3.25Å
332	I	98.8	Very high	96.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.8	179.9	-56.3	-52.9	0	0	0	110.3	G296 V298 I327 E330 Q334 V335 A344 L345 F352	G296-I332 WeakPolarHBondContact CA-O 3.17Å; G296-I332 VanDerWaalsContact O-CB 3.3Å; G296-I332 WeakPolarHBondContact O-CB 3.36Å; G296-I332 PolarHBondContact O-N 2.84Å; V298-I332 HydrophobicContact CG2-CB 3.78Å; V298-I332 HydrophobicContact CG2-CG1 3.73Å; V298-I332 HydrophobicContact CG2-CG2 3.82Å; I327-I332 HydrophobicContact CB-CD1 4.09Å; I327-I332 HydrophobicContact CB-CG1 4.34Å; I327-I332 HydrophobicContact CG2-CD1 3.95Å; E330-I332 HydrophobicContact CB-CD1 4.08Å; E330-I332 PolarHBondContact O-N 2.94Å; I332-Q334 WeakPolarHBondContact CG2-O 3.34Å; I332-V335 HydrophobicContact CG2-CG2 3.81Å; I332-A344 HydrophobicContact CD1-CB 4.21Å; I332-A344 HydrophobicContact CG2-CB 4Å; I332-L345 CarbonylContact C-O 3.57Å; I332-L345 WeakPolarHBondContact CA-O 2.81Å; I332-L345 WeakPolarHBondContact CG2-O 3.26Å; I332-F352 HydrophobicContact CD1-CD2 4.32Å
333	V	98.4	Very high	96.7	Very high	65 Å²	65	40 Å²	40	39%	0.394	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-15	-178.7	-61.7	0	0	0	0	113.3	Q281 L345 D347	Q281-V333 PolarHBondContact NE2-O 2.76Å; V333-L345 HydrophobicContact CG2-CD2 4.32Å; V333-L345 HydrophobicContact CG2-CG 4.09Å; V333-L345 WeakPolarHBondContact CG2-O 3.34Å; V333-L345 PolarHBondContact N-O 2.82Å; V333-D347 HydrophobicContact CG1-CB 3.66Å
334	Q	98.6	Very high	96.7	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.168	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	141	173.5	-164.9	-170.7	-2.2	0	0	110.5	I332 A344 L345 Q386 V387	I332-Q334 WeakPolarHBondContact CG2-O 3.34Å; Q334-A344 CarbonylContact O-C 3.6Å; Q334-A344 WeakPolarHBondContact O-CA 3.41Å; Q334-L345 HydrophobicContact CB-CB 4.07Å; Q334-L345 HydrophobicContact CB-CD2 4.36Å; Q334-L345 PolarHBondContact N-O 2.99Å; Q334-L345 PolarHBondContact O-N 2.87Å; Q334-Q386 VanDerWaalsContact OE1-CA 3.22Å; Q334-V387 HydrophobicContact CB-CG2 4.42Å; Q334-V387 HydrophobicContact CG-CG2 4.25Å; Q334-V387 PolarHBondContact NE2-O 2.87Å; Q334-V387 VanDerWaalsContact NE2-O 3.09Å; Q334-V387 VanDerWaalsContact OE1-N 3.09Å
335	V	98.5	Very high	96.8	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.1	164.8	176.7	0	0	0	0	108.9	I290 V292 V298 I332 V342 L343 A344	I290-V335 HydrophobicContact CB-CG1 4.5Å; I290-V335 HydrophobicContact CD1-CG1 3.79Å; I290-V335 HydrophobicContact CG2-CB 4.48Å; I290-V335 HydrophobicContact CG2-CG1 4.01Å; I290-V335 HydrophobicContact CG2-CG2 4.42Å; V292-V335 HydrophobicContact CG2-CB 4.33Å; V292-V335 HydrophobicContact CG2-CG2 3.7Å; V298-V335 HydrophobicContact CG1-CG2 4.47Å; V298-V335 HydrophobicContact CG2-CG2 4.22Å; I332-V335 HydrophobicContact CG2-CG2 3.81Å; V335-V342 HydrophobicContact CG1-CG1 3.7Å; V335-L343 CarbonylContact C-O 3.53Å; V335-L343 WeakPolarHBondContact CA-O 3.39Å; V335-A344 HydrophobicContact CG2-CB 4.15Å
336	S	98.1	Very high	97	Very high	20 Å²	20	34 Å²	34	14%	0.14	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.4	172.3	-174	0	0	0	0	111.1	L343 V387 A388 S389	S336-L343 PolarHBondContact N-O 2.88Å; S336-L343 PolarHBondContact O-N 3.35Å; S336-V387 WeakPolarHBondContact CB-O 3.25Å; S336-A388 WeakPolarHBondContact OG-CA 3.33Å; S336-S389 VanDerWaalsContact O-CB 3.25Å; S336-S389 WeakPolarHBondContact O-CB 3.28Å; S336-S389 PolarHBondContact OG-N 2.83Å
337	C	95.3	Very high	97	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.074	18%	0.18	C	C	.	.			trans	-149.7	113.7	177.3	-169.3	0	0	0	0	109.8	V283 H288 I290 A339 S341 V342	V283-C337 HydrophobicContact CG1-CB 4.12Å; H288-C337 PolarHBondContact CE1-SG 2.96Å; H288-C337 PolarHBondContact NE2-SG 2.86Å; I290-C337 HydrophobicContact CD1-CB 4.2Å; C337-A339 PolarHBondContact SG-O 2.92Å; C337-S341 PolarHBondContact SG-O 2.87Å; C337-S341 VanDerWaalsContact SG-O 3.37Å; C337-V342 HydrophobicContact CB-CG2 4.34Å
338	G	87.5	Confident	97	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	20%	0.203	C	C	.	.	S	Bend	trans	-89.3	-35.1	173.8	0	0	0	0	0	112.9	S389 L449	G338-S389 WeakPolarHBondContact CA-O 3.07Å; G338-S389 PolarHBondContact N-O 2.83Å; G338-L449 WeakPolarHBondContact O-CD2 3.37Å
339	A	92.1	Very high	97	Very high	12 Å²	12	34 Å²	34	10%	0.099	18%	0.181	C	C	.	.	S	Bend	trans	-133	-98.3	175.5	0	0	0	0	0	111.5	G285 M286 H288 C337 L449	G285-A339 WeakPolarHBondContact CA-O 3.39Å; M286-A339 HydrophobicContact CG-CB 4.22Å; M286-A339 PolarHBondContact N-O 2.76Å; H288-A339 PolarHBondContact CE1-O 3Å; C337-A339 PolarHBondContact SG-O 2.92Å; A339-L449 HydrophobicContact CB-CD2 3.86Å
340	D	94.6	Very high	97	Very high	33 Å²	33	30.4 Å²	30.4	18%	0.176	16%	0.16	C	C	.	.	S	Bend	trans	-122.9	-1.7	-176.4	-58.4	-59.2	0	0	0	113	H288 D306 Q308 G355 N356	H288-D340 IonicContact ND1-OD1 3.66Å; D306-D340 HydrophobicContact CB-CB 4.36Å; Q308-D340 WeakPolarHBondContact CB-O 3.26Å; Q308-D340 PolarHBondContact NE2-OD1 2.92Å; D340-G355 CarbonylContact O-C 3.45Å; D340-G355 WeakPolarHBondContact O-CA 3.1Å; D340-N356 HydrophobicContact CB-CB 3.87Å; D340-N356 PolarHBondContact O-N 2.82Å
341	S	94.9	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.3	169.8	-58.2	0	0	0	0	109.4	C337 N356 Q361 S389	C337-S341 PolarHBondContact SG-O 2.87Å; C337-S341 VanDerWaalsContact SG-O 3.37Å; S341-N356 WeakPolarHBondContact CB-O 3.46Å; S341-N356 PolarHBondContact OG-O 2.93Å; S341-Q361 PolarHBondContact OG-NE2 3.33Å; S341-S389 WeakPolarHBondContact O-CB 3.49Å; S341-S389 PolarHBondContact O-OG 3.06Å
342	V	98.2	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	-179.3	-170.9	0	0	0	0	110.4	I290 Q308 V335 C337 C353 W354	I290-V342 HydrophobicContact CD1-CB 4.45Å; I290-V342 HydrophobicContact CD1-CG1 3.65Å; I290-V342 HydrophobicContact CD1-CG2 3.87Å; Q308-V342 HydrophobicContact CB-CG2 4.31Å; V335-V342 HydrophobicContact CG1-CG1 3.7Å; C337-V342 HydrophobicContact CB-CG2 4.34Å; V342-C353 WeakPolarHBondContact O-CA 3.09Å; V342-W354 HydrophobicContact CB-CD2 3.93Å; V342-W354 HydrophobicContact CB-CE3 4.5Å; V342-W354 HydrophobicContact CB-CG 4.28Å; V342-W354 HydrophobicContact CB-CZ2 3.95Å; V342-W354 HydrophobicContact CG1-CD2 4.13Å; V342-W354 HydrophobicContact CG1-CE3 4.44Å; V342-W354 HydrophobicContact CG1-CH2 3.69Å; V342-W354 HydrophobicContact CG1-CZ2 3.28Å; V342-W354 HydrophobicContact CG1-CZ3 4.24Å; V342-W354 PolarHBondContact N-O 2.78Å; V342-W354 PolarHBondContact O-N 2.93Å
343	L	98.5	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.2	167	-64.2	179.2	0	0	0	109.8	V335 S336 V351 F352 C353 F362 L377 V387 C394	V335-L343 CarbonylContact C-O 3.53Å; V335-L343 WeakPolarHBondContact CA-O 3.39Å; S336-L343 PolarHBondContact N-O 2.88Å; S336-L343 PolarHBondContact O-N 3.35Å; L343-V351 HydrophobicContact CD2-CG1 4.33Å; L343-F352 WeakPolarHBondContact CA-O 3.24Å; L343-C353 HydrophobicContact CD2-CB 3.95Å; L343-F362 HydrophobicContact CD2-CE1 3.92Å; L343-L377 HydrophobicContact CD2-CD2 4.2Å; L343-V387 HydrophobicContact CB-CB 4.02Å; L343-V387 HydrophobicContact CB-CG2 4.15Å; L343-V387 HydrophobicContact CD1-CB 4.19Å; L343-C394 HydrophobicContact CD1-CB 3.89Å
344	A	98.7	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.8	170.4	0	0	0	0	0	110.7	I332 Q334 V335 V351 F352 W354	I332-A344 HydrophobicContact CD1-CB 4.21Å; I332-A344 HydrophobicContact CG2-CB 4Å; Q334-A344 CarbonylContact O-C 3.6Å; Q334-A344 WeakPolarHBondContact O-CA 3.41Å; V335-A344 HydrophobicContact CG2-CB 4.15Å; A344-V351 CarbonylContact O-C 3.59Å; A344-V351 WeakPolarHBondContact O-CA 3.06Å; A344-F352 HydrophobicContact CB-CB 4.39Å; A344-F352 PolarHBondContact N-O 3.37Å; A344-F352 PolarHBondContact O-N 2.9Å; A344-W354 HydrophobicContact CB-CH2 3.7Å; A344-W354 HydrophobicContact CB-CZ3 3.59Å
345	L	98.8	Very high	96.9	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.1	179.5	178.6	61.6	0	0	0	109.3	I332 V333 Q334 E350 V351 V384 R385 V387	I332-L345 CarbonylContact C-O 3.57Å; I332-L345 WeakPolarHBondContact CA-O 2.81Å; I332-L345 WeakPolarHBondContact CG2-O 3.26Å; V333-L345 HydrophobicContact CG2-CD2 4.32Å; V333-L345 HydrophobicContact CG2-CG 4.09Å; V333-L345 WeakPolarHBondContact CG2-O 3.34Å; V333-L345 PolarHBondContact N-O 2.82Å; Q334-L345 HydrophobicContact CB-CB 4.07Å; Q334-L345 HydrophobicContact CB-CD2 4.36Å; Q334-L345 PolarHBondContact N-O 2.99Å; Q334-L345 PolarHBondContact O-N 2.87Å; L345-E350 WeakPolarHBondContact CA-O 3.23Å; L345-V351 HydrophobicContact CD1-CG2 4.15Å; L345-V384 HydrophobicContact CD1-CB 3.78Å; L345-V384 HydrophobicContact CD1-CG1 3.81Å; L345-V384 WeakPolarHBondContact CD1-O 3.38Å; L345-V384 HydrophobicContact CD2-CG1 4.35Å; L345-R385 VanDerWaalsContact CD2-O 3.27Å; L345-R385 WeakPolarHBondContact CD2-O 3.28Å; L345-V387 HydrophobicContact CB-CG1 4Å; L345-V387 HydrophobicContact CB-CG2 4.13Å; L345-V387 HydrophobicContact CD1-CG1 4.47Å
346	S	98.6	Very high	96.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	164	172.1	71.7	0	0	0	0	112.7	K331 K348 G349 E350	K331-S346 CarbonylContact O-C 3.46Å; K331-S346 VanDerWaalsContact O-CA 3.3Å; K331-S346 WeakPolarHBondContact O-CA 3.18Å; S346-K348 PolarHBondContact O-N 2.83Å; S346-K348 PolarHBondContact OG-N 3.49Å; S346-G349 PolarHBondContact O-N 3.15Å; S346-E350 PolarHBondContact N-O 3.19Å; S346-E350 WeakPolarHBondContact OG-CB 3.05Å; S346-E350 PolarHBondContact OG-N 3.42Å
347	D	98.1	Very high	96.5	Very high	89 Å²	89	18.8 Å²	18.8	48%	0.476	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	172.4	66	-20.5	0	0	0	114.1	K331 V333 G349	K331-D347 HydrophobicContact CB-CB 4.47Å; K331-D347 PolarHBondContact O-N 3.25Å; V333-D347 HydrophobicContact CG1-CB 3.66Å; D347-G349 VanDerWaalsContact C-N 3.3Å
348	K	97.7	Very high	96.2	Very high	118 Å²	118	22.5 Å²	22.5	51%	0.513	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.5	173.2	-58.4	170.1	-164.6	150.1	0	113.2	E330 S346 E350	E330-K348 IonicContact OE1-NZ 2.61Å; E330-K348 PolarHBondContact OE1-NZ 2.73Å; E330-K348 IonicContact OE2-NZ 2.78Å; E330-K348 PolarHBondContact OE2-NZ 3.45Å; S346-K348 PolarHBondContact O-N 2.83Å; S346-K348 PolarHBondContact OG-N 3.49Å; K348-E350 HydrophobicContact CB-CG 4.27Å
349	G	97.9	Very high	96.1	Very high	7 Å²	7	21.9 Å²	21.9	7%	0.072	11%	0.109	C	C	.	.	S	Bend	trans	82	15.9	-175.7	0	0	0	0	0	114.4	S346 D347 V384	S346-G349 PolarHBondContact O-N 3.15Å; D347-G349 VanDerWaalsContact C-N 3.3Å; G349-V384 WeakPolarHBondContact CA-O 2.95Å; G349-V384 PolarHBondContact O-N 2.8Å
350	E	98.1	Very high	96	Very high	72 Å²	72	28.6 Å²	28.6	34%	0.336	13%	0.132	S	C	.	.			trans	-87.8	143.4	176.2	-58.2	-70.8	104.3	0	0	110.4	L345 S346 K348 F352 H376	L345-E350 WeakPolarHBondContact CA-O 3.23Å; S346-E350 PolarHBondContact N-O 3.19Å; S346-E350 WeakPolarHBondContact OG-CB 3.05Å; S346-E350 PolarHBondContact OG-N 3.42Å; K348-E350 HydrophobicContact CB-CG 4.27Å; E350-F352 HydrophobicContact CB-CE2 3.89Å; E350-F352 HydrophobicContact CB-CZ 4.14Å; E350-H376 IonicContact OE2-CE1 2.65Å; E350-H376 PolarHBondContact OE2-CE1 3.17Å; E350-H376 IonicContact OE2-NE2 2.76Å; E350-H376 PolarHBondContact OE2-NE2 3.49Å
351	V	98.4	Very high	95.9	Very high	4 Å²	4	27 Å²	27	2%	0.024	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.4	-175.8	-177.3	0	0	0	0	110.4	L343 A344 L345 H376 L377 L379 V384 V387	L343-V351 HydrophobicContact CD2-CG1 4.33Å; A344-V351 CarbonylContact O-C 3.59Å; A344-V351 WeakPolarHBondContact O-CA 3.06Å; L345-V351 HydrophobicContact CD1-CG2 4.15Å; V351-H376 PolarHBondContact O-CD2 3.44Å; V351-L377 HydrophobicContact CB-CB 4.45Å; V351-L377 HydrophobicContact CG1-CB 4.3Å; V351-L377 HydrophobicContact CG1-CD2 4.11Å; V351-L377 WeakPolarHBondContact O-CA 3.44Å; V351-L377 WeakPolarHBondContact O-CB 3.3Å; V351-L377 PolarHBondContact O-N 3.26Å; V351-L379 HydrophobicContact CG2-CD1 4.29Å; V351-V384 HydrophobicContact CG2-CB 3.72Å; V351-V384 HydrophobicContact CG2-CG1 3.88Å; V351-V384 HydrophobicContact CG2-CG2 3.61Å; V351-V387 HydrophobicContact CG1-CG1 4.07Å; V351-V387 HydrophobicContact CG2-CG1 4.01Å
352	F	98.6	Very high	95.8	Very high	7 Å²	7	27 Å²	27	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155	177	-56.5	-97	0	0	0	110.3	D326 I327 E330 I332 L343 A344 E350 R375 H376	D326-F352 HydrophobicContact CB-CD1 3.83Å; D326-F352 HydrophobicContact CB-CE1 3.88Å; I327-F352 HydrophobicContact CG2-CB 3.49Å; I327-F352 VanDerWaalsContact CG2-CB 3.49Å; I327-F352 HydrophobicContact CG2-CD1 3.51Å; I327-F352 HydrophobicContact CG2-CD2 3.67Å; I327-F352 HydrophobicContact CG2-CE1 4.14Å; I327-F352 HydrophobicContact CG2-CE2 4.3Å; I327-F352 HydrophobicContact CG2-CG 3.25Å; E330-F352 HydrophobicContact CG-CE1 4.38Å; E330-F352 HydrophobicContact CG-CE2 4.09Å; E330-F352 HydrophobicContact CG-CZ 3.65Å; I332-F352 HydrophobicContact CD1-CD2 4.32Å; L343-F352 WeakPolarHBondContact CA-O 3.24Å; A344-F352 HydrophobicContact CB-CB 4.39Å; A344-F352 PolarHBondContact N-O 3.37Å; A344-F352 PolarHBondContact O-N 2.9Å; E350-F352 HydrophobicContact CB-CE2 3.89Å; E350-F352 HydrophobicContact CB-CZ 4.14Å; F352-R375 CarbonylContact C-O 3.52Å; F352-R375 VanDerWaalsContact CA-O 3.29Å; F352-R375 WeakPolarHBondContact CA-O 3.36Å; F352-H376 HydrophobicContact CD1-CB 3.99Å; F352-H376 HydrophobicContact CE1-CB 3.82Å
353	C	97.9	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	-177	62.2	0	0	0	0	114.1	V342 L343 F362 R375 L377	V342-C353 WeakPolarHBondContact O-CA 3.09Å; L343-C353 HydrophobicContact CD2-CB 3.95Å; C353-F362 HydrophobicContact CB-CD1 3.28Å; C353-F362 HydrophobicContact CB-CD2 4.15Å; C353-F362 HydrophobicContact CB-CE1 3.34Å; C353-F362 HydrophobicContact CB-CE2 4.19Å; C353-F362 HydrophobicContact CB-CG 3.75Å; C353-F362 HydrophobicContact CB-CZ 3.8Å; C353-F362 VanDerWaalsContact SG-CD1 3.56Å; C353-F362 VanDerWaalsContact SG-CG 3.56Å; C353-R375 PolarHBondContact N-O 2.89Å; C353-R375 PolarHBondContact O-N 3.23Å; C353-L377 HydrophobicContact CB-CB 4.46Å; C353-L377 HydrophobicContact CB-CD2 4.33Å
354	W	98.2	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	173.1	170.3	64	96.7	0	0	0	110.8	V298 Q308 V323 I327 V342 A344 F362 V371 P374	V298-W354 HydrophobicContact CG1-CZ2 4.5Å; Q308-W354 PolarHBondContact O-NE1 3.33Å; V323-W354 HydrophobicContact CG1-CZ2 4.48Å; I327-W354 HydrophobicContact CD1-CH2 4.02Å; I327-W354 HydrophobicContact CD1-CZ3 4.15Å; V342-W354 HydrophobicContact CB-CD2 3.93Å; V342-W354 HydrophobicContact CB-CE3 4.5Å; V342-W354 HydrophobicContact CB-CG 4.28Å; V342-W354 HydrophobicContact CB-CZ2 3.95Å; V342-W354 HydrophobicContact CG1-CD2 4.13Å; V342-W354 HydrophobicContact CG1-CE3 4.44Å; V342-W354 HydrophobicContact CG1-CH2 3.69Å; V342-W354 HydrophobicContact CG1-CZ2 3.28Å; V342-W354 HydrophobicContact CG1-CZ3 4.24Å; V342-W354 PolarHBondContact N-O 2.78Å; V342-W354 PolarHBondContact O-N 2.93Å; A344-W354 HydrophobicContact CB-CH2 3.7Å; A344-W354 HydrophobicContact CB-CZ3 3.59Å; W354-F362 VanDerWaalsContact C-CE2 3.42Å; W354-F362 WeakPolarHBondContact O-CE2 3.44Å; W354-F362 WeakPolarHBondContact O-CZ 3.43Å; W354-V371 HydrophobicContact CB-CG1 4.35Å; W354-V371 WeakPolarHBondContact CB-O 3.08Å; W354-P374 HydrophobicContact CD2-CB 4.28Å; W354-P374 HydrophobicContact CD2-CG 3.82Å; W354-P374 HydrophobicContact CE3-CB 3.64Å; W354-P374 HydrophobicContact CE3-CG 3.61Å; W354-P374 HydrophobicContact CG-CG 4.25Å; W354-P374 HydrophobicContact CZ3-CB 4.07Å; W354-P374 HydrophobicContact CZ3-CG 4.03Å
355	G	97	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-150.5	-176.7	0	0	0	0	0	113.8	D306 D340 S357 V371	D306-G355 CarbonylContact O-C 3.56Å; D306-G355 VanDerWaalsContact O-CA 3.26Å; D306-G355 WeakPolarHBondContact O-CA 3.36Å; D340-G355 CarbonylContact O-C 3.45Å; D340-G355 WeakPolarHBondContact O-CA 3.1Å; G355-S357 PolarHBondContact O-N 3.45Å; G355-V371 PolarHBondContact N-O 3.17Å; G355-V371 PolarHBondContact O-N 2.98Å
356	N	94.3	Very high	94.4	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.5	-177.4	-177.2	-60.6	0	0	0	111	D306 D340 S341 E358 Q361 F362	D306-N356 HydrophobicContact CB-CB 4.01Å; D306-N356 PolarHBondContact O-N 2.74Å; D340-N356 HydrophobicContact CB-CB 3.87Å; D340-N356 PolarHBondContact O-N 2.82Å; S341-N356 WeakPolarHBondContact CB-O 3.46Å; S341-N356 PolarHBondContact OG-O 2.93Å; N356-E358 PolarHBondContact ND2-OE2 2.95Å; N356-E358 VanDerWaalsContact ND2-OE2 3.08Å; N356-E358 PolarHBondContact OD1-N 2.82Å; N356-E358 VanDerWaalsContact OD1-N 3.07Å; N356-Q361 PolarHBondContact O-NE2 2.88Å; N356-Q361 PolarHBondContact OD1-NE2 2.69Å; N356-F362 WeakPolarHBondContact O-CE2 3.35Å
357	S	93.6	Very high	94.1	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	22%	0.217	C	C	.	.			trans	-138.5	27.7	175	-174.8	0	0	0	0	112.5	G355 Y359 R360 Q361 F362 M369	G355-S357 PolarHBondContact O-N 3.45Å; S357-Y359 PolarHBondContact O-N 3.42Å; S357-Y359 VanDerWaalsContact O-N 3.08Å; S357-R360 PolarHBondContact O-N 2.92Å; S357-Q361 VanDerWaalsContact C-OE1 3.24Å; S357-Q361 VanDerWaalsContact CA-OE1 3.29Å; S357-Q361 PolarHBondContact OG-N 2.95Å; S357-F362 PolarHBondContact OG-N 3.32Å; S357-M369 CarbonylContact C-O 3.6Å; S357-M369 WeakPolarHBondContact CA-O 3.38Å; S357-M369 PolarHBondContact N-O 2.91Å
358	E	88.7	Confident	93.9	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28	179.7	-69.7	-178.9	131.5	0	0	112.8	N356 M369	N356-E358 PolarHBondContact ND2-OE2 2.95Å; N356-E358 VanDerWaalsContact ND2-OE2 3.08Å; N356-E358 PolarHBondContact OD1-N 2.82Å; N356-E358 VanDerWaalsContact OD1-N 3.07Å; E358-M369 HydrophobicContact CG-CB 4.1Å; E358-M369 PolarHBondContact N-O 2.82Å
359	Y	85.4	Confident	93.7	Very high	5 Å²	5	40 Å²	40	2%	0.02	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	25.1	179.4	-62.9	-88.4	0	0	0	112.6	G38 A42 R45 S357 Q361 S392 Y408 F419	G38-Y359 PolarHBondContact O-OH 3.09Å; A42-Y359 PolarHBondContact N-OH 3.27Å; A42-Y359 VanDerWaalsContact N-OH 3.15Å; R45-Y359 VanDerWaalsContact CZ-CD1 3.48Å; S357-Y359 PolarHBondContact O-N 3.42Å; S357-Y359 VanDerWaalsContact O-N 3.08Å; Y359-Q361 VanDerWaalsContact CB-OE1 3.28Å; Y359-Q361 PolarHBondContact O-N 3.39Å; Y359-S392 WeakPolarHBondContact CD2-OG 3.39Å; Y359-Y408 AromaticContact CD1-CD1 3.85Å; Y359-Y408 HydrophobicContact CD1-CD1 3.85Å; Y359-Y408 HydrophobicContact CD1-CD2 4.49Å; Y359-Y408 AromaticContact CD1-CG 3.7Å; Y359-Y408 HydrophobicContact CD1-CG 3.7Å; Y359-Y408 AromaticContact CE1-CD1 3.79Å; Y359-Y408 HydrophobicContact CE1-CD1 3.79Å; Y359-Y408 HydrophobicContact CE1-CE1 4.32Å; Y359-Y408 HydrophobicContact CE1-CG 4.08Å; Y359-F419 WeakPolarHBondContact O-CE2 3.48Å
360	R	89.8	Confident	93.5	Very high	154 Å²	154	43.3 Å²	43.3	58%	0.581	23%	0.229	S	C	*	.	S	Bend	trans	56.1	31.2	-179	-56.6	-161.9	179.8	-155.1	-2.2	113.6	S357 F362 G363 F419	S357-R360 PolarHBondContact O-N 2.92Å; R360-F362 PolarHBondContact O-N 2.66Å; R360-G363 PolarHBondContact O-N 2.75Å; R360-F419 HydrophobicContact CB-CE2 4.36Å; R360-F419 HydrophobicContact CB-CZ 4.27Å; R360-F419 HydrophobicContact CG-CZ 4.33Å
361	Q	91.7	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.6	170.8	-61.4	94.2	-56.6	0	0	110.6	S341 N356 S357 Y359 W406	S341-Q361 PolarHBondContact OG-NE2 3.33Å; N356-Q361 PolarHBondContact O-NE2 2.88Å; N356-Q361 PolarHBondContact OD1-NE2 2.69Å; S357-Q361 VanDerWaalsContact C-OE1 3.24Å; S357-Q361 VanDerWaalsContact CA-OE1 3.29Å; S357-Q361 PolarHBondContact OG-N 2.95Å; Y359-Q361 VanDerWaalsContact CB-OE1 3.28Å; Y359-Q361 PolarHBondContact O-N 3.39Å; Q361-W406 PolarHBondContact O-NE1 3.16Å
362	F	93.7	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	22.5	178.1	-44.8	-35.9	0	0	0	112.2	L343 C353 W354 N356 S357 R360 S364 V365 T366 V371	L343-F362 HydrophobicContact CD2-CE1 3.92Å; C353-F362 HydrophobicContact CB-CD1 3.28Å; C353-F362 HydrophobicContact CB-CD2 4.15Å; C353-F362 HydrophobicContact CB-CE1 3.34Å; C353-F362 HydrophobicContact CB-CE2 4.19Å; C353-F362 HydrophobicContact CB-CG 3.75Å; C353-F362 HydrophobicContact CB-CZ 3.8Å; C353-F362 VanDerWaalsContact SG-CD1 3.56Å; C353-F362 VanDerWaalsContact SG-CG 3.56Å; W354-F362 VanDerWaalsContact C-CE2 3.42Å; W354-F362 WeakPolarHBondContact O-CE2 3.44Å; W354-F362 WeakPolarHBondContact O-CZ 3.43Å; N356-F362 WeakPolarHBondContact O-CE2 3.35Å; S357-F362 PolarHBondContact OG-N 3.32Å; R360-F362 PolarHBondContact O-N 2.66Å; F362-S364 PolarHBondContact O-N 2.71Å; F362-V365 HydrophobicContact CB-CG2 4.07Å; F362-V365 VanDerWaalsContact O-CG2 3.25Å; F362-V365 WeakPolarHBondContact O-CG2 3.19Å; F362-V365 PolarHBondContact O-N 3.46Å; F362-T366 HydrophobicContact CB-CG2 4.37Å; F362-T366 PolarHBondContact O-N 2.64Å; F362-T366 VanDerWaalsContact O-N 3.12Å; F362-V371 HydrophobicContact CD2-CB 4.27Å; F362-V371 HydrophobicContact CD2-CG2 3.88Å
363	G	90	Very high	93.3	Very high	28 Å²	28	44.7 Å²	44.7	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-17	-174.5	0	0	0	0	0	115.4	R360 T366	R360-G363 PolarHBondContact O-N 2.75Å; G363-T366 VanDerWaalsContact CA-O 3.29Å; G363-T366 WeakPolarHBondContact CA-O 3.37Å
364	S	90.6	Very high	93.3	Very high	63 Å²	63	44.7 Å²	44.7	44%	0.441	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-16	176.6	57.1	0	0	0	0	114	F362 L377	F362-S364 PolarHBondContact O-N 2.71Å; S364-L377 WeakPolarHBondContact OG-CD1 3.34Å
365	V	91.7	Very high	93.3	Very high	52 Å²	52	47.6 Å²	47.6	32%	0.315	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-19.7	179.7	-61.5	0	0	0	0	112.6	F362 R375 H376 L377	F362-V365 HydrophobicContact CB-CG2 4.07Å; F362-V365 VanDerWaalsContact O-CG2 3.25Å; F362-V365 WeakPolarHBondContact O-CG2 3.19Å; F362-V365 PolarHBondContact O-N 3.46Å; V365-R375 HydrophobicContact CG2-CB 4.29Å; V365-H376 VanDerWaalsContact CG1-O 3.3Å; V365-H376 WeakPolarHBondContact CG1-O 3.49Å; V365-L377 HydrophobicContact CG1-CD1 3.9Å; V365-L377 HydrophobicContact CG2-CD1 4.37Å
366	T	92.4	Very high	93.3	Very high	20 Å²	20	50.5 Å²	50.5	12%	0.123	26%	0.259	C	S	.	.			trans	-158.7	160.5	-180	-173.9	0	0	0	0	113.1	F362 G363 D368 V371 R375	F362-T366 HydrophobicContact CB-CG2 4.37Å; F362-T366 PolarHBondContact O-N 2.64Å; F362-T366 VanDerWaalsContact O-N 3.12Å; G363-T366 VanDerWaalsContact CA-O 3.29Å; G363-T366 WeakPolarHBondContact CA-O 3.37Å; T366-D368 HydrophobicContact CG2-CB 4.18Å; T366-D368 WeakPolarHBondContact OG1-CB 3.2Å; T366-D368 PolarHBondContact OG1-N 2.91Å; T366-D368 PolarHBondContact OG1-OD2 2.9Å; T366-V371 HydrophobicContact CG2-CG2 3.67Å; T366-R375 PolarHBondContact OG1-NH1 2.92Å
367	T	92.3	Very high	93.4	Very high	132 Å²	132	49.9 Å²	49.9	81%	0.81	26%	0.256	S	S	*	.			trans	-95.5	-4.9	167.2	53.9	0	0	0	0	113.3
368	D	93.7	Very high	93.4	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	27%	0.274	S	S	.	.			trans	-63.8	135.1	-179.7	-56.5	-32.7	0	0	0	110.4	T366 Q370 V371 R375	T366-D368 HydrophobicContact CG2-CB 4.18Å; T366-D368 WeakPolarHBondContact OG1-CB 3.2Å; T366-D368 PolarHBondContact OG1-N 2.91Å; T366-D368 PolarHBondContact OG1-OD2 2.9Å; D368-Q370 VanDerWaalsContact C-N 3.3Å; D368-V371 HydrophobicContact CB-CG2 4.38Å; D368-R375 IonicContact OD2-CZ 3.3Å; D368-R375 IonicContact OD2-NH1 2.66Å; D368-R375 PolarHBondContact OD2-NH1 2.84Å; D368-R375 IonicContact OD2-NH2 2.7Å; D368-R375 PolarHBondContact OD2-NH2 2.79Å
369	M	93.3	Very high	93.6	Very high	121 Å²	121	49.6 Å²	49.6	60%	0.596	26%	0.257	S	S	*	.	S	Bend	trans	-76.9	-21.1	175.2	-69.7	-174.7	-77.3	0	0	112.4	S357 E358	S357-M369 CarbonylContact C-O 3.6Å; S357-M369 WeakPolarHBondContact CA-O 3.38Å; S357-M369 PolarHBondContact N-O 2.91Å; E358-M369 HydrophobicContact CG-CB 4.1Å; E358-M369 PolarHBondContact N-O 2.82Å
370	Q	94.8	Very high	94	Very high	77 Å²	77	57.4 Å²	57.4	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	121.9	-179.9	-66.1	163.6	-36.3	0	0	107.9	M305 D306 D368 F372	M305-Q370 PolarHBondContact O-NE2 2.88Å; D306-Q370 HydrophobicContact CB-CG 4.36Å; D306-Q370 PolarHBondContact OD1-NE2 3.07Å; D368-Q370 VanDerWaalsContact C-N 3.3Å; Q370-F372 HydrophobicContact CB-CD2 4.35Å; Q370-F372 HydrophobicContact CB-CE2 3.57Å; Q370-F372 HydrophobicContact CB-CZ 3.89Å
371	V	96.8	Very high	94.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.6	-174.4	-177.5	0	0	0	0	108.4	W354 G355 F362 T366 D368 E373 R375	W354-V371 HydrophobicContact CB-CG1 4.35Å; W354-V371 WeakPolarHBondContact CB-O 3.08Å; G355-V371 PolarHBondContact N-O 3.17Å; G355-V371 PolarHBondContact O-N 2.98Å; F362-V371 HydrophobicContact CD2-CB 4.27Å; F362-V371 HydrophobicContact CD2-CG2 3.88Å; T366-V371 HydrophobicContact CG2-CG2 3.67Å; D368-V371 HydrophobicContact CB-CG2 4.38Å; V371-E373 VanDerWaalsContact CG1-O 3.28Å; V371-E373 WeakPolarHBondContact CG1-O 3.36Å; V371-E373 PolarHBondContact O-N 2.93Å; V371-R375 HydrophobicContact CG1-CG 4.18Å
372	F	97	Very high	94.5	Very high	57 Å²	57	53.4 Å²	53.4	25%	0.25	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-1	-171.1	-66.9	-88.5	0	0	0	115	G310 Y311 K312 S313 Q370	G310-F372 CarbonylContact C-O 2.99Å; G310-F372 VanDerWaalsContact CA-O 3.23Å; G310-F372 WeakPolarHBondContact CA-O 3.47Å; Y311-F372 PolarHBondContact N-O 2.79Å; Y311-F372 VanDerWaalsContact N-O 3.14Å; K312-F372 PolarHBondContact N-O 2.71Å; S313-F372 WeakPolarHBondContact O-CD1 3.4Å; Q370-F372 HydrophobicContact CB-CD2 4.35Å; Q370-F372 HydrophobicContact CB-CE2 3.57Å; Q370-F372 HydrophobicContact CB-CZ 3.89Å
373	E	97	Very high	94.7	Very high	55 Å²	55	56.9 Å²	56.9	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.3	176.2	69.9	-173	139.4	0	0	109.7	K312 V371 R375	K312-E373 WeakPolarHBondContact CE-OE2 3.43Å; K312-E373 HydrophobicContact CG-CB 4.13Å; K312-E373 IonicContact NZ-OE2 2.68Å; K312-E373 PolarHBondContact NZ-OE2 2.91Å; V371-E373 VanDerWaalsContact CG1-O 3.28Å; V371-E373 WeakPolarHBondContact CG1-O 3.36Å; V371-E373 PolarHBondContact O-N 2.93Å; E373-R375 PolarHBondContact O-N 3.43Å; E373-R375 IonicContact OE1-NH2 3.53Å
374	P	98.3	Very high	95.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	129.4	173.6	-27.7	37	0	0	0	112.3	G310 V323 E324 D326 I327 W354	G310-P374 VanDerWaalsContact O-CD 3.32Å; G310-P374 WeakPolarHBondContact O-CD 3.3Å; V323-P374 HydrophobicContact CG1-CG 3.37Å; E324-P374 WeakPolarHBondContact O-CD 3.48Å; E324-P374 VanDerWaalsContact O-CG 3.27Å; E324-P374 WeakPolarHBondContact O-CG 3.49Å; D326-P374 WeakPolarHBondContact CB-O 3.46Å; D326-P374 PolarHBondContact N-O 3.26Å; I327-P374 HydrophobicContact CD1-CB 4.29Å; I327-P374 HydrophobicContact CD1-CG 3.93Å; I327-P374 HydrophobicContact CG1-CB 3.98Å; I327-P374 HydrophobicContact CG1-CG 3.91Å; I327-P374 HydrophobicContact CG2-CB 4.02Å; W354-P374 HydrophobicContact CD2-CB 4.28Å; W354-P374 HydrophobicContact CD2-CG 3.82Å; W354-P374 HydrophobicContact CE3-CB 3.64Å; W354-P374 HydrophobicContact CE3-CG 3.61Å; W354-P374 HydrophobicContact CG-CG 4.25Å; W354-P374 HydrophobicContact CZ3-CB 4.07Å; W354-P374 HydrophobicContact CZ3-CG 4.03Å
375	R	97.6	Very high	95.4	Very high	60 Å²	60	58.4 Å²	58.4	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.7	174.1	-64.9	-173.8	174.7	154.8	-2.4	110.5	D326 F352 C353 V365 T366 D368 V371 E373 L377	D326-R375 WeakPolarHBondContact OD2-CA 3.44Å; F352-R375 CarbonylContact C-O 3.52Å; F352-R375 VanDerWaalsContact CA-O 3.29Å; F352-R375 WeakPolarHBondContact CA-O 3.36Å; C353-R375 PolarHBondContact N-O 2.89Å; C353-R375 PolarHBondContact O-N 3.23Å; V365-R375 HydrophobicContact CG2-CB 4.29Å; T366-R375 PolarHBondContact OG1-NH1 2.92Å; D368-R375 IonicContact OD2-CZ 3.3Å; D368-R375 IonicContact OD2-NH1 2.66Å; D368-R375 PolarHBondContact OD2-NH1 2.84Å; D368-R375 IonicContact OD2-NH2 2.7Å; D368-R375 PolarHBondContact OD2-NH2 2.79Å; V371-R375 HydrophobicContact CG1-CG 4.18Å; E373-R375 PolarHBondContact O-N 3.43Å; E373-R375 IonicContact OE1-NH2 3.53Å; R375-L377 PolarHBondContact O-N 3.16Å
376	H	97.7	Very high	95.8	Very high	61 Å²	61	57.4 Å²	57.4	28%	0.282	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	114.6	173.4	178.5	-156.5	0	0	0	110.8	D326 E350 V351 F352 V365 N378	D326-H376 HydrophobicContact CB-CB 4.46Å; D326-H376 PolarHBondContact OD2-N 2.9Å; E350-H376 IonicContact OE2-CE1 2.65Å; E350-H376 PolarHBondContact OE2-CE1 3.17Å; E350-H376 IonicContact OE2-NE2 2.76Å; E350-H376 PolarHBondContact OE2-NE2 3.49Å; V351-H376 PolarHBondContact O-CD2 3.44Å; F352-H376 HydrophobicContact CD1-CB 3.99Å; F352-H376 HydrophobicContact CE1-CB 3.82Å; V365-H376 VanDerWaalsContact CG1-O 3.3Å; V365-H376 WeakPolarHBondContact CG1-O 3.49Å; H376-N378 PolarHBondContact O-N 3.49Å
377	L	95.7	Very high	96.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.289	C	S	.	.			trans	-90.1	82.9	178.3	-172.4	62.3	0	0	0	110.8	L343 V351 C353 S364 V365 R375 L379 W406	L343-L377 HydrophobicContact CD2-CD2 4.2Å; V351-L377 HydrophobicContact CB-CB 4.45Å; V351-L377 HydrophobicContact CG1-CB 4.3Å; V351-L377 HydrophobicContact CG1-CD2 4.11Å; V351-L377 WeakPolarHBondContact O-CA 3.44Å; V351-L377 WeakPolarHBondContact O-CB 3.3Å; V351-L377 PolarHBondContact O-N 3.26Å; C353-L377 HydrophobicContact CB-CB 4.46Å; C353-L377 HydrophobicContact CB-CD2 4.33Å; S364-L377 WeakPolarHBondContact OG-CD1 3.34Å; V365-L377 HydrophobicContact CG1-CD1 3.9Å; V365-L377 HydrophobicContact CG2-CD1 4.37Å; R375-L377 PolarHBondContact O-N 3.16Å; L377-L379 HydrophobicContact CD1-CD2 4.42Å; L377-L379 HydrophobicContact CD2-CD2 4.05Å; L377-L379 HydrophobicContact CD2-CG 4.45Å; L377-L379 HydrophobicContact CG-CD2 3.86Å; L377-L379 HydrophobicContact CG-CG 4.16Å; L377-L379 PolarHBondContact O-N 3.25Å; L377-W406 HydrophobicContact CD2-CH2 4.35Å; L377-W406 HydrophobicContact CD2-CZ2 3.73Å
378	N	93.1	Very high	96.3	Very high	80 Å²	80	50.2 Å²	50.2	43%	0.428	25%	0.25	S	S	.	.			trans	-72.2	97.5	178.6	-172	-13.6	0	0	0	112.2	H376 K380	H376-N378 PolarHBondContact O-N 3.49Å; N378-K380 VanDerWaalsContact OD1-CG 3.26Å; N378-K380 WeakPolarHBondContact OD1-CG 3.28Å; N378-K380 PolarHBondContact OD1-N 3.15Å; N378-K380 VanDerWaalsContact OD1-N 3.11Å
379	L	93.7	Very high	96.5	Very high	8 Å²	8	47 Å²	47	4%	0.042	23%	0.233	C	C	.	.			trans	-81.5	-15.3	-179.1	-64.6	177	0	0	0	113.8	V351 L377 I381 V396 W406 R423	V351-L379 HydrophobicContact CG2-CD1 4.29Å; L377-L379 HydrophobicContact CD1-CD2 4.42Å; L377-L379 HydrophobicContact CD2-CD2 4.05Å; L377-L379 HydrophobicContact CD2-CG 4.45Å; L377-L379 HydrophobicContact CG-CD2 3.86Å; L377-L379 HydrophobicContact CG-CG 4.16Å; L377-L379 PolarHBondContact O-N 3.25Å; L379-I381 HydrophobicContact CB-CD1 3.81Å; L379-I381 HydrophobicContact CB-CG1 3.71Å; L379-I381 HydrophobicContact CB-CG2 4.49Å; L379-I381 HydrophobicContact CD1-CD1 3.74Å; L379-I381 HydrophobicContact CD1-CG1 4.47Å; L379-I381 HydrophobicContact CG-CD1 4.42Å; L379-I381 WeakPolarHBondContact O-CG2 3.38Å; L379-I381 PolarHBondContact O-N 3.17Å; L379-V396 HydrophobicContact CD1-CG1 4.08Å; L379-V396 HydrophobicContact CD1-CG2 3.96Å; L379-W406 HydrophobicContact CD1-CH2 3.98Å; L379-W406 HydrophobicContact CD1-CZ3 4.31Å; L379-W406 HydrophobicContact CD2-CH2 4.21Å; L379-W406 HydrophobicContact CD2-CZ2 4.4Å; L379-R423 HydrophobicContact CD2-CB 4.45Å; L379-R423 PolarHBondContact O-NE 3.46Å; L379-R423 PolarHBondContact O-NH2 3.3Å
380	K	93.9	Very high	96.4	Very high	169 Å²	169	41.2 Å²	41.2	74%	0.735	21%	0.205	S	C	*	.			trans	48.6	41.4	-175.9	-52.2	-175.6	178.7	-177.5	0	113.7	N378	N378-K380 VanDerWaalsContact OD1-CG 3.26Å; N378-K380 WeakPolarHBondContact OD1-CG 3.28Å; N378-K380 PolarHBondContact OD1-N 3.15Å; N378-K380 VanDerWaalsContact OD1-N 3.11Å
381	I	95.6	Very high	96.1	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.108	19%	0.193	C	C	.	.	S	Bend	trans	-118.7	12.6	179.4	59.4	178.7	0	0	0	112.7	L379 V384 V396 T398 Y404 R423	L379-I381 HydrophobicContact CB-CD1 3.81Å; L379-I381 HydrophobicContact CB-CG1 3.71Å; L379-I381 HydrophobicContact CB-CG2 4.49Å; L379-I381 HydrophobicContact CD1-CD1 3.74Å; L379-I381 HydrophobicContact CD1-CG1 4.47Å; L379-I381 HydrophobicContact CG-CD1 4.42Å; L379-I381 WeakPolarHBondContact O-CG2 3.38Å; L379-I381 PolarHBondContact O-N 3.17Å; I381-V384 HydrophobicContact CD1-CG2 4.13Å; I381-V384 HydrophobicContact CG1-CG2 4.41Å; I381-V396 HydrophobicContact CD1-CG2 3.49Å; I381-V396 VanDerWaalsContact CD1-CG2 3.49Å; I381-T398 HydrophobicContact CB-CG2 4.24Å; I381-T398 HydrophobicContact CD1-CG2 3.8Å; I381-T398 HydrophobicContact CG1-CG2 3.96Å; I381-Y404 HydrophobicContact CB-CD2 4.3Å; I381-Y404 HydrophobicContact CB-CE2 3.88Å; I381-Y404 HydrophobicContact CD1-CD2 3.72Å; I381-Y404 HydrophobicContact CD1-CE2 4.16Å; I381-Y404 HydrophobicContact CD1-CG 4.11Å; I381-Y404 HydrophobicContact CG2-CD1 4.01Å; I381-Y404 HydrophobicContact CG2-CD2 4.16Å; I381-Y404 HydrophobicContact CG2-CE1 3.68Å; I381-Y404 HydrophobicContact CG2-CE2 3.86Å; I381-Y404 HydrophobicContact CG2-CG 4.24Å; I381-R423 HydrophobicContact CG2-CG 4.14Å
382	G	95.5	Very high	95.9	Very high	48 Å²	48	38.4 Å²	38.4	50%	0.495	20%	0.195	S	C	.	.	S	Bend	trans	77.9	-175.8	-169.9	0	0	0	0	0	113	V384	G382-V384 PolarHBondContact O-N 3.05Å
383	P	97.4	Very high	95.7	Very high	73 Å²	73	35.7 Å²	35.7	47%	0.474	18%	0.183	S	C	.	.			trans	-60.7	132.7	-177.4	-23.4	34.1	0	0	0	112.3	T398 E399	P383-T398 WeakPolarHBondContact O-CA 3.31Å; P383-E399 HydrophobicContact CB-CG 4.12Å; P383-E399 PolarHBondContact O-N 2.93Å
384	V	98.5	Very high	95.7	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.3	176.3	174.6	0	0	0	0	110.1	L345 G349 V351 I381 G382 Q386 V387 V396	L345-V384 HydrophobicContact CD1-CB 3.78Å; L345-V384 HydrophobicContact CD1-CG1 3.81Å; L345-V384 WeakPolarHBondContact CD1-O 3.38Å; L345-V384 HydrophobicContact CD2-CG1 4.35Å; G349-V384 WeakPolarHBondContact CA-O 2.95Å; G349-V384 PolarHBondContact O-N 2.8Å; V351-V384 HydrophobicContact CG2-CB 3.72Å; V351-V384 HydrophobicContact CG2-CG1 3.88Å; V351-V384 HydrophobicContact CG2-CG2 3.61Å; I381-V384 HydrophobicContact CD1-CG2 4.13Å; I381-V384 HydrophobicContact CG1-CG2 4.41Å; G382-V384 PolarHBondContact O-N 3.05Å; V384-Q386 WeakPolarHBondContact CG1-O 3.42Å; V384-V387 HydrophobicContact CG1-CG1 4Å; V384-V396 HydrophobicContact CG1-CB 3.98Å; V384-V396 HydrophobicContact CG1-CG1 4.3Å; V384-V396 HydrophobicContact CG2-CB 4.41Å; V384-V396 HydrophobicContact CG2-CG2 4.48Å
385	R	98.3	Very high	95.7	Very high	118 Å²	118	33.1 Å²	33.1	45%	0.445	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-38.9	177.6	-174.3	-172.7	177.7	97.1	-3.1	112.3	L345 L397 E399	L345-R385 VanDerWaalsContact CD2-O 3.27Å; L345-R385 WeakPolarHBondContact CD2-O 3.28Å; R385-L397 WeakPolarHBondContact CA-O 3.5Å; R385-L397 WeakPolarHBondContact CB-O 3.26Å; R385-L397 PolarHBondContact N-O 2.99Å; R385-E399 HydrophobicContact CB-CG 4.19Å; R385-E399 WeakPolarHBondContact CB-OE1 3.31Å; R385-E399 WeakPolarHBondContact CG-OE1 3.15Å; R385-E399 IonicContact NH1-OE2 3.16Å; R385-E399 PolarHBondContact NH1-OE2 3.5Å
386	Q	98.5	Very high	95.7	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.14	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.5	177.2	-62.1	-166.8	-37	0	0	113.1	Q334 V384 V396 L397 R444	Q334-Q386 VanDerWaalsContact OE1-CA 3.22Å; V384-Q386 WeakPolarHBondContact CG1-O 3.42Å; Q386-V396 CarbonylContact O-C 3.38Å; Q386-V396 VanDerWaalsContact O-CA 3.32Å; Q386-V396 WeakPolarHBondContact O-CA 3.38Å; Q386-L397 HydrophobicContact CB-CB 4.21Å; Q386-L397 PolarHBondContact N-O 3.04Å; Q386-L397 VanDerWaalsContact N-O 3.07Å; Q386-L397 PolarHBondContact O-N 2.84Å; Q386-R444 VanDerWaalsContact OE1-CA 3.23Å
387	V	98.6	Very high	95.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145	174	-63.7	0	0	0	0	110.9	Q334 S336 L343 L345 V351 V384 V396	Q334-V387 HydrophobicContact CB-CG2 4.42Å; Q334-V387 HydrophobicContact CG-CG2 4.25Å; Q334-V387 PolarHBondContact NE2-O 2.87Å; Q334-V387 VanDerWaalsContact NE2-O 3.09Å; Q334-V387 VanDerWaalsContact OE1-N 3.09Å; S336-V387 WeakPolarHBondContact CB-O 3.25Å; L343-V387 HydrophobicContact CB-CB 4.02Å; L343-V387 HydrophobicContact CB-CG2 4.15Å; L343-V387 HydrophobicContact CD1-CB 4.19Å; L345-V387 HydrophobicContact CB-CG1 4Å; L345-V387 HydrophobicContact CB-CG2 4.13Å; L345-V387 HydrophobicContact CD1-CG1 4.47Å; V351-V387 HydrophobicContact CG1-CG1 4.07Å; V351-V387 HydrophobicContact CG2-CG1 4.01Å; V384-V387 HydrophobicContact CG1-CG1 4Å; V387-V396 HydrophobicContact CG1-CG1 4.05Å
388	A	98	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	115.4	175.3	0	0	0	0	0	110.5	S336 A395 L445 A447	S336-A388 WeakPolarHBondContact OG-CA 3.33Å; A388-A395 PolarHBondContact N-O 2.94Å; A388-A395 PolarHBondContact O-N 3.43Å; A388-L445 HydrophobicContact CB-CD2 3.73Å; A388-L445 HydrophobicContact CB-CG 3.67Å; A388-A447 HydrophobicContact CB-CB 3.78Å
389	S	96.6	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.8	178.5	-169.2	0	0	0	0	109.8	S336 G338 S341	S336-S389 VanDerWaalsContact O-CB 3.25Å; S336-S389 WeakPolarHBondContact O-CB 3.28Å; S336-S389 PolarHBondContact OG-N 2.83Å; G338-S389 WeakPolarHBondContact CA-O 3.07Å; G338-S389 PolarHBondContact N-O 2.83Å; S341-S389 WeakPolarHBondContact O-CB 3.49Å; S341-S389 PolarHBondContact O-OG 3.06Å
390	G	92.4	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.			trans	-85.4	-155.3	169.9	0	0	0	0	0	112	S393 G448	G390-S393 WeakPolarHBondContact CA-O 3.18Å; G390-S393 PolarHBondContact N-O 2.91Å; G390-G448 WeakPolarHBondContact CA-O 3.27Å
391	G	88.6	Confident	96.2	Very high	11 Å²	11	24.5 Å²	24.5	11%	0.113	15%	0.145	C	C	.	.	S	Bend	trans	-80.5	-39.4	177	0	0	0	0	0	113.2	L449	G391-L449 WeakPolarHBondContact CA-O 3.21Å; G391-L449 PolarHBondContact N-O 2.86Å
392	S	91	Very high	96.3	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.042	16%	0.155	C	C	.	.	S	Bend	trans	-139.3	12.2	-179	-51.4	0	0	0	0	113.2	Y359 Y408	Y359-S392 WeakPolarHBondContact CD2-OG 3.39Å; S392-Y408 PolarHBondContact O-N 2.79Å
393	S	94.1	Very high	96.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.6	-178.9	40.3	0	0	0	0	110.3	G390 W406 Y408 Y452	G390-S393 WeakPolarHBondContact CA-O 3.18Å; G390-S393 PolarHBondContact N-O 2.91Å; S393-W406 VanDerWaalsContact CA-O 3.25Å; S393-W406 WeakPolarHBondContact CA-O 3.17Å; S393-W406 WeakPolarHBondContact CB-O 3.45Å; S393-Y408 VanDerWaalsContact CB-O 3.27Å; S393-Y408 WeakPolarHBondContact CB-O 3.5Å; S393-Y408 PolarHBondContact OG-O 2.81Å; S393-Y408 VanDerWaalsContact OG-O 3.09Å; S393-Y452 WeakPolarHBondContact CB-OH 3.32Å; S393-Y452 PolarHBondContact O-OH 3.34Å; S393-Y452 PolarHBondContact OG-OH 2.78Å
394	C	96.8	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.7	-177.4	-66.9	0	0	0	0	109	L343 A405 W406 Y452	L343-C394 HydrophobicContact CD1-CB 3.89Å; C394-A405 CarbonylContact O-C 3.32Å; C394-A405 VanDerWaalsContact O-CA 3.29Å; C394-A405 WeakPolarHBondContact O-CA 3.1Å; C394-W406 HydrophobicContact CB-CD2 3.88Å; C394-W406 HydrophobicContact CB-CE3 4.29Å; C394-W406 HydrophobicContact CB-CH2 3.75Å; C394-W406 HydrophobicContact CB-CZ2 3.26Å; C394-W406 HydrophobicContact CB-CZ3 4.23Å; C394-W406 PolarHBondContact N-O 2.91Å; C394-W406 PolarHBondContact O-N 3.32Å; C394-Y452 PolarHBondContact N-OH 2.78Å
395	A	98	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.2	171.8	0	0	0	0	0	111	A388 Y404 A405 L445 Y452	A388-A395 PolarHBondContact N-O 2.94Å; A388-A395 PolarHBondContact O-N 3.43Å; A395-Y404 CarbonylContact C-O 3.47Å; A395-Y404 WeakPolarHBondContact CA-O 3.28Å; A395-A405 HydrophobicContact CB-CB 4.15Å; A395-L445 HydrophobicContact CB-CD1 4.38Å; A395-L445 HydrophobicContact CB-CD2 3.86Å; A395-Y452 HydrophobicContact CB-CD1 4.11Å; A395-Y452 HydrophobicContact CB-CE1 3.76Å
396	V	98.5	Very high	96.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.5	177	-60.6	0	0	0	0	110.5	L379 I381 V384 Q386 V387 I403 Y404 W406	L379-V396 HydrophobicContact CD1-CG1 4.08Å; L379-V396 HydrophobicContact CD1-CG2 3.96Å; I381-V396 HydrophobicContact CD1-CG2 3.49Å; I381-V396 VanDerWaalsContact CD1-CG2 3.49Å; V384-V396 HydrophobicContact CG1-CB 3.98Å; V384-V396 HydrophobicContact CG1-CG1 4.3Å; V384-V396 HydrophobicContact CG2-CB 4.41Å; V384-V396 HydrophobicContact CG2-CG2 4.48Å; Q386-V396 CarbonylContact O-C 3.38Å; Q386-V396 VanDerWaalsContact O-CA 3.32Å; Q386-V396 WeakPolarHBondContact O-CA 3.38Å; V387-V396 HydrophobicContact CG1-CG1 4.05Å; V396-I403 VanDerWaalsContact O-CA 3.31Å; V396-I403 WeakPolarHBondContact O-CA 3.32Å; V396-Y404 PolarHBondContact N-O 3.21Å; V396-Y404 PolarHBondContact O-N 2.93Å; V396-W406 HydrophobicContact CB-CZ3 4.48Å; V396-W406 HydrophobicContact CG1-CH2 3.65Å; V396-W406 HydrophobicContact CG1-CZ3 3.88Å; V396-W406 HydrophobicContact CG2-CZ3 4Å
397	L	98.5	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.5	171.4	173.1	60.5	0	0	0	108.3	R385 Q386 Q402 I403 P442 E443 L445	R385-L397 WeakPolarHBondContact CA-O 3.5Å; R385-L397 WeakPolarHBondContact CB-O 3.26Å; R385-L397 PolarHBondContact N-O 2.99Å; Q386-L397 HydrophobicContact CB-CB 4.21Å; Q386-L397 PolarHBondContact N-O 3.04Å; Q386-L397 VanDerWaalsContact N-O 3.07Å; Q386-L397 PolarHBondContact O-N 2.84Å; L397-Q402 WeakPolarHBondContact CA-O 3.47Å; L397-I403 HydrophobicContact CB-CG1 4.46Å; L397-I403 HydrophobicContact CD1-CG1 3.8Å; L397-P442 HydrophobicContact CD1-CB 3.87Å; L397-E443 WeakPolarHBondContact CD2-O 3.35Å; L397-L445 HydrophobicContact CB-CB 4.3Å; L397-L445 HydrophobicContact CB-CD2 4.36Å
398	T	98.2	Very high	95.7	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	163.4	177.2	62.4	0	0	0	0	111.9	I381 P383 S400 G401 Q402 Y404	I381-T398 HydrophobicContact CB-CG2 4.24Å; I381-T398 HydrophobicContact CD1-CG2 3.8Å; I381-T398 HydrophobicContact CG1-CG2 3.96Å; P383-T398 WeakPolarHBondContact O-CA 3.31Å; T398-S400 PolarHBondContact O-N 2.79Å; T398-S400 PolarHBondContact OG1-N 3.11Å; T398-S400 PolarHBondContact OG1-OG 2.68Å; T398-G401 PolarHBondContact O-N 3.19Å; T398-Q402 PolarHBondContact N-O 3.29Å; T398-Q402 WeakPolarHBondContact OG1-CB 3.44Å; T398-Q402 PolarHBondContact OG1-N 2.91Å; T398-Q402 PolarHBondContact OG1-O 2.84Å; T398-Y404 HydrophobicContact CG2-CD2 4.04Å; T398-Y404 HydrophobicContact CG2-CE2 3.88Å
399	E	97.2	Very high	95.3	Very high	105 Å²	105	17.2 Å²	17.2	49%	0.491	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.6	171.3	-70.8	-63.5	171.5	0	0	113.1	P383 R385 G401	P383-E399 HydrophobicContact CB-CG 4.12Å; P383-E399 PolarHBondContact O-N 2.93Å; R385-E399 HydrophobicContact CB-CG 4.19Å; R385-E399 WeakPolarHBondContact CB-OE1 3.31Å; R385-E399 WeakPolarHBondContact CG-OE1 3.15Å; R385-E399 IonicContact NH1-OE2 3.16Å; R385-E399 PolarHBondContact NH1-OE2 3.5Å; E399-G401 PolarHBondContact O-N 3.3Å
400	S	95.3	Very high	95.1	Very high	80 Å²	80	17.6 Å²	17.6	56%	0.559	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	0.7	172.3	59.4	0	0	0	0	114.1	T398 Q402	T398-S400 PolarHBondContact O-N 2.79Å; T398-S400 PolarHBondContact OG1-N 3.11Å; T398-S400 PolarHBondContact OG1-OG 2.68Å; S400-Q402 PolarHBondContact OG-OE1 3.05Å; S400-Q402 VanDerWaalsContact OG-OE1 3.05Å
401	G	95.1	Very high	95.2	Very high	12 Å²	12	17.6 Å²	17.6	12%	0.124	10%	0.098	C	C	.	.	S	Bend	trans	76.9	22.7	-178.9	0	0	0	0	0	113.9	T398 E399 P442	T398-G401 PolarHBondContact O-N 3.19Å; E399-G401 PolarHBondContact O-N 3.3Å; G401-P442 WeakPolarHBondContact O-CD 3.35Å
402	Q	96.8	Very high	95.5	Very high	66 Å²	66	17.1 Å²	17.1	31%	0.308	9%	0.092	S	C	.	.			trans	-101.1	139.6	178.7	-63.5	175.1	-51.6	0	0	110.8	L397 T398 S400 Y404 L425	L397-Q402 WeakPolarHBondContact CA-O 3.47Å; T398-Q402 PolarHBondContact N-O 3.29Å; T398-Q402 WeakPolarHBondContact OG1-CB 3.44Å; T398-Q402 PolarHBondContact OG1-N 2.91Å; T398-Q402 PolarHBondContact OG1-O 2.84Å; S400-Q402 PolarHBondContact OG-OE1 3.05Å; S400-Q402 VanDerWaalsContact OG-OE1 3.05Å; Q402-Y404 HydrophobicContact CB-CD2 4.48Å; Q402-Y404 HydrophobicContact CB-CE2 3.84Å; Q402-L425 HydrophobicContact CB-CD1 3.81Å; Q402-L425 HydrophobicContact CG-CD1 4.26Å
403	I	98.2	Very high	95.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.5	176.2	-67.3	178.5	0	0	0	109.9	V396 L397 L426 F431 P442 L445 V454	V396-I403 VanDerWaalsContact O-CA 3.31Å; V396-I403 WeakPolarHBondContact O-CA 3.32Å; L397-I403 HydrophobicContact CB-CG1 4.46Å; L397-I403 HydrophobicContact CD1-CG1 3.8Å; I403-L426 HydrophobicContact CB-CB 4.48Å; I403-L426 HydrophobicContact CG2-CB 4.46Å; I403-L426 HydrophobicContact CG2-CD1 4.45Å; I403-L426 HydrophobicContact CG2-CD2 4.26Å; I403-L426 PolarHBondContact O-N 2.76Å; I403-F431 HydrophobicContact CB-CE2 4.2Å; I403-F431 HydrophobicContact CB-CZ 4.38Å; I403-F431 HydrophobicContact CD1-CD2 4.43Å; I403-F431 HydrophobicContact CD1-CE1 4.2Å; I403-F431 HydrophobicContact CD1-CE2 3.9Å; I403-F431 HydrophobicContact CD1-CZ 3.76Å; I403-F431 HydrophobicContact CG1-CE2 4.43Å; I403-P442 HydrophobicContact CD1-CB 3.54Å; I403-P442 HydrophobicContact CD1-CG 3.81Å; I403-P442 HydrophobicContact CG1-CB 3.97Å; I403-P442 HydrophobicContact CG1-CG 4.12Å; I403-L445 HydrophobicContact CD1-CD1 4.39Å; I403-V454 HydrophobicContact CD1-CB 4.28Å; I403-V454 HydrophobicContact CD1-CG1 3.94Å; I403-V454 HydrophobicContact CD1-CG2 3.31Å
404	Y	97.8	Very high	95.5	Very high	34 Å²	34	18.5 Å²	18.5	13%	0.133	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.2	171	-66.1	-99.1	0	0	0	109.9	I381 A395 V396 T398 Q402 R423 T424 L425	I381-Y404 HydrophobicContact CB-CD2 4.3Å; I381-Y404 HydrophobicContact CB-CE2 3.88Å; I381-Y404 HydrophobicContact CD1-CD2 3.72Å; I381-Y404 HydrophobicContact CD1-CE2 4.16Å; I381-Y404 HydrophobicContact CD1-CG 4.11Å; I381-Y404 HydrophobicContact CG2-CD1 4.01Å; I381-Y404 HydrophobicContact CG2-CD2 4.16Å; I381-Y404 HydrophobicContact CG2-CE1 3.68Å; I381-Y404 HydrophobicContact CG2-CE2 3.86Å; I381-Y404 HydrophobicContact CG2-CG 4.24Å; A395-Y404 CarbonylContact C-O 3.47Å; A395-Y404 WeakPolarHBondContact CA-O 3.28Å; V396-Y404 PolarHBondContact N-O 3.21Å; V396-Y404 PolarHBondContact O-N 2.93Å; T398-Y404 HydrophobicContact CG2-CD2 4.04Å; T398-Y404 HydrophobicContact CG2-CE2 3.88Å; Q402-Y404 HydrophobicContact CB-CD2 4.48Å; Q402-Y404 HydrophobicContact CB-CE2 3.84Å; Y404-R423 HydrophobicContact CD1-CB 4.19Å; Y404-R423 HydrophobicContact CD1-CG 4.23Å; Y404-T424 CarbonylContact C-O 3.2Å; Y404-T424 VanDerWaalsContact CA-O 3.27Å; Y404-T424 WeakPolarHBondContact CA-O 3.41Å; Y404-L425 HydrophobicContact CD1-CB 4.03Å; Y404-L425 HydrophobicContact CD2-CD1 4.42Å; Y404-L425 HydrophobicContact CE1-CB 3.69Å; Y404-L425 HydrophobicContact CE1-CD1 4.08Å; Y404-L425 HydrophobicContact CE1-CG 4.43Å; Y404-L425 HydrophobicContact CE2-CD1 3.97Å
405	A	97	Very high	95.2	Very high	1 Å²	1	22 Å²	22	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.6	174.4	0	0	0	0	0	111.7	C394 A395 L411 T424 L426	C394-A405 CarbonylContact O-C 3.32Å; C394-A405 VanDerWaalsContact O-CA 3.29Å; C394-A405 WeakPolarHBondContact O-CA 3.1Å; A395-A405 HydrophobicContact CB-CB 4.15Å; A405-L411 HydrophobicContact CB-CB 4.4Å; A405-L411 HydrophobicContact CB-CD2 4.49Å; A405-T424 PolarHBondContact N-O 3.11Å; A405-T424 PolarHBondContact O-N 3.23Å; A405-L426 HydrophobicContact CB-CD1 3.67Å
406	W	95.9	Very high	94.8	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	177.8	176.9	68.3	97.9	0	0	0	112.2	Q361 L377 L379 S393 C394 V396 L411 K420 S422 R423	Q361-W406 PolarHBondContact O-NE1 3.16Å; L377-W406 HydrophobicContact CD2-CH2 4.35Å; L377-W406 HydrophobicContact CD2-CZ2 3.73Å; L379-W406 HydrophobicContact CD1-CH2 3.98Å; L379-W406 HydrophobicContact CD1-CZ3 4.31Å; L379-W406 HydrophobicContact CD2-CH2 4.21Å; L379-W406 HydrophobicContact CD2-CZ2 4.4Å; S393-W406 VanDerWaalsContact CA-O 3.25Å; S393-W406 WeakPolarHBondContact CA-O 3.17Å; S393-W406 WeakPolarHBondContact CB-O 3.45Å; C394-W406 HydrophobicContact CB-CD2 3.88Å; C394-W406 HydrophobicContact CB-CE3 4.29Å; C394-W406 HydrophobicContact CB-CH2 3.75Å; C394-W406 HydrophobicContact CB-CZ2 3.26Å; C394-W406 HydrophobicContact CB-CZ3 4.23Å; C394-W406 PolarHBondContact N-O 2.91Å; C394-W406 PolarHBondContact O-N 3.32Å; V396-W406 HydrophobicContact CB-CZ3 4.48Å; V396-W406 HydrophobicContact CG1-CH2 3.65Å; V396-W406 HydrophobicContact CG1-CZ3 3.88Å; V396-W406 HydrophobicContact CG2-CZ3 4Å; W406-L411 WeakPolarHBondContact O-CD2 3.4Å; W406-K420 HydrophobicContact CB-CB 4.45Å; W406-S422 WeakPolarHBondContact CB-O 3.44Å; W406-R423 HydrophobicContact CE3-CB 4.13Å
407	G	93.2	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-140.2	-175.5	0	0	0	0	0	111.3	F419 K420	G407-F419 WeakPolarHBondContact O-CA 3.4Å; G407-F419 WeakPolarHBondContact O-CD2 3.27Å; G407-K420 PolarHBondContact N-O 3.42Å; G407-K420 PolarHBondContact O-N 2.97Å
408	Y	91.8	Very high	93.7	Very high	33 Å²	33	36.6 Å²	36.6	13%	0.129	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.5	-174.8	-177.1	-106.5	0	0	0	113.5	H41 Y359 S392 S393 L418 F419	H41-Y408 HydrophobicContact CB-CE1 3.7Å; H41-Y408 AromaticContact CD2-CE1 3.91Å; H41-Y408 AromaticContact CD2-CZ 3.91Å; H41-Y408 PolarHBondContact CD2-OH 2.86Å; H41-Y408 AromaticContact CG-CE1 3.82Å; Y359-Y408 AromaticContact CD1-CD1 3.85Å; Y359-Y408 HydrophobicContact CD1-CD1 3.85Å; Y359-Y408 HydrophobicContact CD1-CD2 4.49Å; Y359-Y408 AromaticContact CD1-CG 3.7Å; Y359-Y408 HydrophobicContact CD1-CG 3.7Å; Y359-Y408 AromaticContact CE1-CD1 3.79Å; Y359-Y408 HydrophobicContact CE1-CD1 3.79Å; Y359-Y408 HydrophobicContact CE1-CE1 4.32Å; Y359-Y408 HydrophobicContact CE1-CG 4.08Å; S392-Y408 PolarHBondContact O-N 2.79Å; S393-Y408 VanDerWaalsContact CB-O 3.27Å; S393-Y408 WeakPolarHBondContact CB-O 3.5Å; S393-Y408 PolarHBondContact OG-O 2.81Å; S393-Y408 VanDerWaalsContact OG-O 3.09Å; Y408-L418 CarbonylContact C-O 3.52Å; Y408-L418 WeakPolarHBondContact CA-O 3.31Å; Y408-L418 WeakPolarHBondContact CD2-O 3.3Å; Y408-L418 HydrophobicContact CE2-CB 4.2Å; Y408-F419 HydrophobicContact CD2-CB 4.22Å
409	G	90.3	Very high	93.4	Very high	5 Å²	5	40.3 Å²	40.3	5%	0.052	21%	0.209	C	C	.	.	S	Bend	trans	121.9	-168.9	177.1	0	0	0	0	0	112.7	L411 L418	G409-L411 WeakPolarHBondContact O-CG 3.32Å; G409-L411 PolarHBondContact O-N 3.03Å; G409-L418 PolarHBondContact N-O 2.86Å; G409-L418 WeakPolarHBondContact O-CA 3.42Å
410	P	93	Very high	93	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.058	20%	0.196	C	C	.	.			trans	-71.5	90	175.5	-12.1	27.7	0	0	0	110.5	G412 W464 Y479 Y481	P410-G412 PolarHBondContact O-N 3.23Å; P410-W464 PolarHBondContact O-NE1 2.99Å; P410-Y479 HydrophobicContact CG-CD1 4.14Å; P410-Y481 HydrophobicContact CB-CD1 3.72Å; P410-Y481 HydrophobicContact CB-CE1 4.11Å; P410-Y481 HydrophobicContact CG-CD1 4.29Å; P410-Y481 HydrophobicContact CG-CE1 4.17Å
411	L	93.6	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.			trans	-77.9	1.3	-174.4	-61.9	176.2	0	0	0	114.6	A405 W406 G409 L413 K420	A405-L411 HydrophobicContact CB-CB 4.4Å; A405-L411 HydrophobicContact CB-CD2 4.49Å; W406-L411 WeakPolarHBondContact O-CD2 3.4Å; G409-L411 WeakPolarHBondContact O-CG 3.32Å; G409-L411 PolarHBondContact O-N 3.03Å; L411-L413 HydrophobicContact CB-CD1 4.17Å; L411-L413 HydrophobicContact CB-CG 4.4Å; L411-K420 HydrophobicContact CD1-CB 3.74Å; L411-K420 HydrophobicContact CD1-CG 3.6Å
412	G	94.9	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	88.4	12.9	-175.4	0	0	0	0	0	114	P410 W464 Y481	P410-G412 PolarHBondContact O-N 3.23Å; G412-W464 VanDerWaalsContact CA-CD1 3.46Å; G412-W464 VanDerWaalsContact N-CD1 3.32Å; G412-Y481 CarbonylContact C-O 3.52Å; G412-Y481 WeakPolarHBondContact CA-O 3.33Å
413	L	92.9	Very high	92	Very high	32 Å²	32	38.8 Å²	38.8	17%	0.168	20%	0.203	C	C	.	.	S	Bend	trans	-113.6	8.2	-173.1	-61.7	170.3	0	0	0	113.5	L411 Q417 K420 T424 L426 Y481	L411-L413 HydrophobicContact CB-CD1 4.17Å; L411-L413 HydrophobicContact CB-CG 4.4Å; L413-Q417 HydrophobicContact CB-CB 3.73Å; L413-Q417 HydrophobicContact CB-CG 4.27Å; L413-K420 HydrophobicContact CD1-CG 4Å; L413-T424 HydrophobicContact CD1-CG2 3.58Å; L413-T424 HydrophobicContact CD2-CG2 3.99Å; L413-T424 HydrophobicContact CG-CG2 4.45Å; L413-L426 HydrophobicContact CD2-CD1 4.22Å; L413-L426 HydrophobicContact CD2-CG 4.28Å; L413-Y481 PolarHBondContact N-O 3.5Å
414	G	93.1	Very high	91.9	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	21%	0.212	C	C	.	.			trans	100.8	166.6	-178	0	0	0	0	0	115.1	E416 Q417 Y481 F482	G414-E416 VanDerWaalsContact C-N 3.3Å; G414-E416 PolarHBondContact O-N 2.87Å; G414-Q417 PolarHBondContact O-N 3.44Å; G414-Y481 VanDerWaalsContact C-CB 3.47Å; G414-Y481 PolarHBondContact N-O 2.91Å; G414-Y481 VanDerWaalsContact N-O 3.14Å; G414-F482 VanDerWaalsContact CA-CE2 3.5Å
415	P	90.8	Very high	91.8	Very high	74 Å²	74	42 Å²	42	48%	0.481	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26	-168.8	24.9	-34.2	0	0	0	114.5	L418 Y481	P415-L418 WeakPolarHBondContact O-CG 3.48Å; P415-Y481 HydrophobicContact CB-CD1 4.31Å; P415-Y481 HydrophobicContact CB-CD2 3.7Å; P415-Y481 HydrophobicContact CB-CE1 4.47Å; P415-Y481 HydrophobicContact CB-CE2 3.85Å; P415-Y481 HydrophobicContact CB-CG 3.94Å
416	E	89.5	Confident	91.8	Very high	177 Å²	177	42 Å²	42	83%	0.827	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.9	-179.2	-61.5	179.3	175.2	0	0	112.7	G414 L418	G414-E416 VanDerWaalsContact C-N 3.3Å; G414-E416 PolarHBondContact O-N 2.87Å; E416-L418 PolarHBondContact O-N 3.26Å
417	Q	87.1	Confident	91.8	Very high	74 Å²	74	45 Å²	45	35%	0.346	24%	0.243	S	C	.	.			trans	-104	53.4	-173	-60.8	-66.5	-21.4	0	0	111.2	L413 G414 F419 K420	L413-Q417 HydrophobicContact CB-CB 3.73Å; L413-Q417 HydrophobicContact CB-CG 4.27Å; G414-Q417 PolarHBondContact O-N 3.44Å; Q417-F419 VanDerWaalsContact C-N 3.3Å; Q417-F419 PolarHBondContact O-N 3.03Å; Q417-K420 VanDerWaalsContact OE1-CE 3.23Å
418	L	87	Confident	91.7	Very high	55 Å²	55	47.9 Å²	47.9	29%	0.288	26%	0.262	S	S	.	.			trans	-79.1	-10.8	-176.6	-58.6	-178.9	0	0	0	114.2	Y408 G409 P415 E416 Y481	Y408-L418 CarbonylContact C-O 3.52Å; Y408-L418 WeakPolarHBondContact CA-O 3.31Å; Y408-L418 WeakPolarHBondContact CD2-O 3.3Å; Y408-L418 HydrophobicContact CE2-CB 4.2Å; G409-L418 PolarHBondContact N-O 2.86Å; G409-L418 WeakPolarHBondContact O-CA 3.42Å; P415-L418 WeakPolarHBondContact O-CG 3.48Å; E416-L418 PolarHBondContact O-N 3.26Å; L418-Y481 HydrophobicContact CD2-CD1 3.99Å; L418-Y481 HydrophobicContact CD2-CE1 3.6Å
419	F	90.5	Very high	91.8	Very high	80 Å²	80	50.5 Å²	50.5	35%	0.351	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.8	179.4	176.9	-106.1	0	0	0	111.2	Y359 R360 G407 Y408 Q417	Y359-F419 WeakPolarHBondContact O-CE2 3.48Å; R360-F419 HydrophobicContact CB-CE2 4.36Å; R360-F419 HydrophobicContact CB-CZ 4.27Å; R360-F419 HydrophobicContact CG-CZ 4.33Å; G407-F419 WeakPolarHBondContact O-CA 3.4Å; G407-F419 WeakPolarHBondContact O-CD2 3.27Å; Y408-F419 HydrophobicContact CD2-CB 4.22Å; Q417-F419 VanDerWaalsContact C-N 3.3Å; Q417-F419 PolarHBondContact O-N 3.03Å
420	K	89.9	Confident	92.1	Very high	52 Å²	52	52.1 Å²	52.1	23%	0.226	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.9	170.1	-67.2	-63.7	-166.6	-171.3	0	109.1	W406 G407 L411 L413 Q417 S422	W406-K420 HydrophobicContact CB-CB 4.45Å; G407-K420 PolarHBondContact N-O 3.42Å; G407-K420 PolarHBondContact O-N 2.97Å; L411-K420 HydrophobicContact CD1-CB 3.74Å; L411-K420 HydrophobicContact CD1-CG 3.6Å; L413-K420 HydrophobicContact CD1-CG 4Å; Q417-K420 VanDerWaalsContact OE1-CE 3.23Å; K420-S422 PolarHBondContact O-N 2.94Å
421	G	85.7	Confident	92.2	Very high	35 Å²	35	51.8 Å²	51.8	36%	0.361	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-4.1	176.8	0	0	0	0	0	114.4
422	S	88	Confident	92	Very high	68 Å²	68	52.2 Å²	52.2	48%	0.476	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.1	178.7	60.2	0	0	0	0	110.7	W406 K420 T424	W406-S422 WeakPolarHBondContact CB-O 3.44Å; K420-S422 PolarHBondContact O-N 2.94Å; S422-T424 PolarHBondContact O-N 3.37Å; S422-T424 PolarHBondContact O-OG1 3.47Å
423	R	92.2	Very high	91.8	Very high	76 Å²	76	53.3 Å²	53.3	29%	0.287	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	129.3	175.8	66.3	-83	177.1	168	2	111.8	L379 I381 Y404 W406	L379-R423 HydrophobicContact CD2-CB 4.45Å; L379-R423 PolarHBondContact O-NE 3.46Å; L379-R423 PolarHBondContact O-NH2 3.3Å; I381-R423 HydrophobicContact CG2-CG 4.14Å; Y404-R423 HydrophobicContact CD1-CB 4.19Å; Y404-R423 HydrophobicContact CD1-CG 4.23Å; W406-R423 HydrophobicContact CE3-CB 4.13Å
424	T	95.6	Very high	91.6	Very high	34 Å²	34	55.5 Å²	55.5	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.6	176	-56.9	0	0	0	0	109.1	Y404 A405 L413 S422	Y404-T424 CarbonylContact C-O 3.2Å; Y404-T424 VanDerWaalsContact CA-O 3.27Å; Y404-T424 WeakPolarHBondContact CA-O 3.41Å; A405-T424 PolarHBondContact N-O 3.11Å; A405-T424 PolarHBondContact O-N 3.23Å; L413-T424 HydrophobicContact CD1-CG2 3.58Å; L413-T424 HydrophobicContact CD2-CG2 3.99Å; L413-T424 HydrophobicContact CG-CG2 4.45Å; S422-T424 PolarHBondContact O-N 3.37Å; S422-T424 PolarHBondContact O-OG1 3.47Å
425	L	96.8	Very high	91.2	Very high	67 Å²	67	62.9 Å²	62.9	35%	0.351	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.1	178.4	178.3	64.9	0	0	0	110.4	Q402 Y404	Q402-L425 HydrophobicContact CB-CD1 3.81Å; Q402-L425 HydrophobicContact CG-CD1 4.26Å; Y404-L425 HydrophobicContact CD1-CB 4.03Å; Y404-L425 HydrophobicContact CD2-CD1 4.42Å; Y404-L425 HydrophobicContact CE1-CB 3.69Å; Y404-L425 HydrophobicContact CE1-CD1 4.08Å; Y404-L425 HydrophobicContact CE1-CG 4.43Å; Y404-L425 HydrophobicContact CE2-CD1 3.97Å
426	L	96.7	Very high	91	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.7	167.5	-83.3	69.7	0	0	0	108.8	I403 A405 L413 L430 F431 W464 P483	I403-L426 HydrophobicContact CB-CB 4.48Å; I403-L426 HydrophobicContact CG2-CB 4.46Å; I403-L426 HydrophobicContact CG2-CD1 4.45Å; I403-L426 HydrophobicContact CG2-CD2 4.26Å; I403-L426 PolarHBondContact O-N 2.76Å; A405-L426 HydrophobicContact CB-CD1 3.67Å; L413-L426 HydrophobicContact CD2-CD1 4.22Å; L413-L426 HydrophobicContact CD2-CG 4.28Å; L426-L430 HydrophobicContact CB-CD1 4.41Å; L426-F431 HydrophobicContact CB-CE2 3.96Å; L426-F431 HydrophobicContact CB-CZ 4.12Å; L426-F431 HydrophobicContact CD2-CE2 4.47Å; L426-F431 HydrophobicContact CD2-CZ 3.79Å; L426-W464 HydrophobicContact CD2-CH2 4.31Å; L426-W464 HydrophobicContact CD2-CZ2 3.85Å; L426-P483 HydrophobicContact CD2-CG 4.36Å
427	P	94.7	Very high	90.6	Very high	67 Å²	67	63.1 Å²	63.1	44%	0.435	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-55.4	130.8	-179.6	-28.3	34	0	0	0	113	P429 L430	P427-P429 VanDerWaalsContact C-N 3.28Å; P427-P429 VanDerWaalsContact O-N 3.14Å; P427-L430 HydrophobicContact CB-CD1 4.42Å; P427-L430 HydrophobicContact CB-CG 4.4Å; P427-L430 HydrophobicContact CG-CD1 4.38Å; P427-L430 WeakPolarHBondContact O-CB 3.38Å; P427-L430 WeakPolarHBondContact O-CG 3.13Å; P427-L430 PolarHBondContact O-N 3.01Å
428	P	92.4	Very high	90.1	Very high	62 Å²	62	65.7 Å²	65.7	40%	0.403	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-51.3	-34.6	178.9	-27.1	33.8	0	0	0	115.8	L430 F431 A433	P428-L430 PolarHBondContact O-N 3.43Å; P428-L430 VanDerWaalsContact O-N 3.09Å; P428-F431 PolarHBondContact O-N 2.65Å; P428-A433 HydrophobicContact CB-CB 4.14Å
429	P	93.6	Very high	90.1	Very high	88 Å²	88	69.6 Å²	69.6	57%	0.571	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21.9	177.6	-28	36.9	0	0	0	115.5	P427 F431 G432 A433	P427-P429 VanDerWaalsContact C-N 3.28Å; P427-P429 VanDerWaalsContact O-N 3.14Å; P429-F431 PolarHBondContact O-N 3.39Å; P429-F431 VanDerWaalsContact O-N 3.13Å; P429-G432 PolarHBondContact O-N 2.92Å; P429-A433 WeakPolarHBondContact CA-O 3.41Å; P429-A433 WeakPolarHBondContact CB-O 3.46Å
430	L	95.2	Very high	90.2	Very high	39 Å²	39	66.4 Å²	66.4	20%	0.204	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.3	-16.9	174.5	-62.1	175.8	0	0	0	112.9	L426 P427 P428 Y462 F482 P483	L426-L430 HydrophobicContact CB-CD1 4.41Å; P427-L430 HydrophobicContact CB-CD1 4.42Å; P427-L430 HydrophobicContact CB-CG 4.4Å; P427-L430 HydrophobicContact CG-CD1 4.38Å; P427-L430 WeakPolarHBondContact O-CB 3.38Å; P427-L430 WeakPolarHBondContact O-CG 3.13Å; P427-L430 PolarHBondContact O-N 3.01Å; P428-L430 PolarHBondContact O-N 3.43Å; P428-L430 VanDerWaalsContact O-N 3.09Å; L430-Y462 VanDerWaalsContact O-CD1 3.23Å; L430-Y462 WeakPolarHBondContact O-CD1 3.23Å; L430-Y462 WeakPolarHBondContact O-CE1 3.42Å; L430-F482 HydrophobicContact CD2-CD1 4.25Å; L430-P483 HydrophobicContact CB-CB 4.2Å; L430-P483 HydrophobicContact CB-CG 3.91Å; L430-P483 HydrophobicContact CD1-CG 4.21Å
431	F	95	Very high	90.4	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.009	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-114.9	21	-178	-49.9	-66.8	0	0	0	113	I403 L426 P428 P429 P442 V454 N456 Y462 W464 P483	I403-F431 HydrophobicContact CB-CE2 4.2Å; I403-F431 HydrophobicContact CB-CZ 4.38Å; I403-F431 HydrophobicContact CD1-CD2 4.43Å; I403-F431 HydrophobicContact CD1-CE1 4.2Å; I403-F431 HydrophobicContact CD1-CE2 3.9Å; I403-F431 HydrophobicContact CD1-CZ 3.76Å; I403-F431 HydrophobicContact CG1-CE2 4.43Å; L426-F431 HydrophobicContact CB-CE2 3.96Å; L426-F431 HydrophobicContact CB-CZ 4.12Å; L426-F431 HydrophobicContact CD2-CE2 4.47Å; L426-F431 HydrophobicContact CD2-CZ 3.79Å; P428-F431 PolarHBondContact O-N 2.65Å; P429-F431 PolarHBondContact O-N 3.39Å; P429-F431 VanDerWaalsContact O-N 3.13Å; F431-P442 HydrophobicContact CB-CG 3.94Å; F431-P442 HydrophobicContact CD2-CG 3.57Å; F431-P442 HydrophobicContact CE2-CG 4.26Å; F431-P442 HydrophobicContact CG-CG 3.83Å; F431-V454 HydrophobicContact CD1-CB 3.89Å; F431-V454 HydrophobicContact CD1-CG1 3.73Å; F431-V454 HydrophobicContact CD1-CG2 4.19Å; F431-V454 HydrophobicContact CE1-CB 3.92Å; F431-V454 HydrophobicContact CE1-CG1 4.14Å; F431-V454 HydrophobicContact CE1-CG2 3.73Å; F431-V454 HydrophobicContact CG-CG1 4.24Å; F431-V454 HydrophobicContact CZ-CG2 4.33Å; F431-N456 PolarHBondContact O-ND2 2.88Å; F431-N456 VanDerWaalsContact O-ND2 3.11Å; F431-Y462 HydrophobicContact CD1-CG 4.44Å; F431-W464 HydrophobicContact CE1-CH2 4.11Å; F431-W464 AromaticContact CE1-CZ3 3.81Å; F431-W464 HydrophobicContact CE1-CZ3 3.81Å; F431-W464 HydrophobicContact CZ-CH2 4.3Å; F431-W464 HydrophobicContact CZ-CZ3 4.44Å; F431-P483 HydrophobicContact CD1-CB 4.12Å; F431-P483 HydrophobicContact CD1-CG 4.42Å; F431-P483 HydrophobicContact CE1-CB 3.69Å; F431-P483 HydrophobicContact CE1-CG 3.59Å; F431-P483 HydrophobicContact CZ-CB 4.48Å; F431-P483 HydrophobicContact CZ-CG 3.91Å
432	G	91.3	Very high	90.9	Very high	9 Å²	9	68.2 Å²	68.2	9%	0.093	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	1.6	171.9	0	0	0	0	0	115.9	P429 Y462	P429-G432 PolarHBondContact O-N 2.92Å; G432-Y462 WeakPolarHBondContact CA-OH 3.42Å
433	A	90	Very high	91.3	Very high	22 Å²	22	67.6 Å²	67.6	18%	0.182	34%	0.344	C	S	.	.			trans	-70.9	125.2	172.6	0	0	0	0	0	110.7	P428 P429	P428-A433 HydrophobicContact CB-CB 4.14Å; P429-A433 WeakPolarHBondContact CA-O 3.41Å; P429-A433 WeakPolarHBondContact CB-O 3.46Å
434	N	89	Confident	91.5	Very high	78 Å²	78	68.3 Å²	68.3	42%	0.417	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-153.6	172.1	173.3	62.1	49.4	0	0	0	110.1	F436 R437	N434-F436 PolarHBondContact O-N 2.89Å; N434-F436 VanDerWaalsContact O-N 3.11Å; N434-F436 PolarHBondContact OD1-N 3.01Å; N434-R437 CarbonylContact O-C 3.51Å; N434-R437 PolarHBondContact O-N 3.06Å; N434-R437 WeakPolarHBondContact OD1-CB 3.27Å; N434-R437 WeakPolarHBondContact OD1-CG 3.3Å; N434-R437 PolarHBondContact OD1-N 2.89Å
435	E	84.8	Confident	91.6	Very high	159 Å²	159	66.9 Å²	66.9	74%	0.743	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.1	-176.8	67.4	-170.5	155.8	0	0	114.8
436	F	86.4	Confident	91.7	Very high	175 Å²	175	65.4 Å²	65.4	77%	0.768	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.1	179	-53.1	-73.6	0	0	0	112.9	N434	N434-F436 PolarHBondContact O-N 2.89Å; N434-F436 VanDerWaalsContact O-N 3.11Å; N434-F436 PolarHBondContact OD1-N 3.01Å
437	R	81.1	Confident	91.6	Very high	82 Å²	82	66.4 Å²	66.4	31%	0.309	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-129.2	83.9	-175.8	-64.3	-176.5	88.6	-159.1	8.5	110	N434 I440 E460	N434-R437 CarbonylContact O-C 3.51Å; N434-R437 PolarHBondContact O-N 3.06Å; N434-R437 WeakPolarHBondContact OD1-CB 3.27Å; N434-R437 WeakPolarHBondContact OD1-CG 3.3Å; N434-R437 PolarHBondContact OD1-N 2.89Å; R437-I440 HydrophobicContact CB-CD1 3.65Å; R437-I440 HydrophobicContact CB-CG1 4.25Å; R437-I440 HydrophobicContact CG-CD1 4.24Å; R437-E460 IonicContact CZ-OE1 3.63Å; R437-E460 IonicContact CZ-OE2 3.5Å; R437-E460 IonicContact NH1-OE1 3.51Å; R437-E460 IonicContact NH1-OE2 2.92Å; R437-E460 PolarHBondContact NH1-OE2 3.13Å; R437-E460 VanDerWaalsContact NH2-CD 3.28Å; R437-E460 IonicContact NH2-OE1 2.85Å; R437-E460 PolarHBondContact NH2-OE1 2.94Å; R437-E460 IonicContact NH2-OE2 3.13Å; R437-E460 PolarHBondContact NH2-OE2 2.81Å; R437-E460 VanDerWaalsContact NH2-OE2 3.13Å
438	D	76.7	Confident	91.5	Very high	127 Å²	127	63.4 Å²	63.4	68%	0.679	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	150.6	176	-65.7	-33.1	0	0	0	112.5	I440	D438-I440 VanDerWaalsContact C-N 3.31Å; D438-I440 PolarHBondContact O-N 3.45Å
439	N	86.3	Confident	91.4	Very high	138 Å²	138	61.4 Å²	61.4	74%	0.738	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	30.3	172.5	-60	-34.1	0	0	0	115.5	Y441 S457	N439-Y441 WeakPolarHBondContact O-CD1 3.5Å; N439-S457 PolarHBondContact O-OG 2.86Å; N439-S457 VanDerWaalsContact O-OG 3.09Å
440	I	92.3	Very high	91.2	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.067	28%	0.282	C	S	.	.			trans	-94.7	122.3	167.7	-58.2	-169.4	0	0	0	109.6	R437 D438 N456 K458	R437-I440 HydrophobicContact CB-CD1 3.65Å; R437-I440 HydrophobicContact CB-CG1 4.25Å; R437-I440 HydrophobicContact CG-CD1 4.24Å; D438-I440 VanDerWaalsContact C-N 3.31Å; D438-I440 PolarHBondContact O-N 3.45Å; I440-N456 HydrophobicContact CG2-CB 4.01Å; I440-N456 VanDerWaalsContact CG2-ND2 3.33Å; I440-N456 WeakPolarHBondContact CG2-ND2 3.43Å; I440-K458 HydrophobicContact CD1-CG 3.93Å; I440-K458 HydrophobicContact CG1-CG 4.04Å
441	Y	93.9	Very high	91.1	Very high	119 Å²	119	56.5 Å²	56.5	47%	0.467	27%	0.273	S	S	.	.			trans	-143.6	152.1	178.6	54.4	-89.1	0	0	0	110.2	N439 E443 N456 S457	N439-Y441 WeakPolarHBondContact O-CD1 3.5Å; Y441-E443 PolarHBondContact O-N 2.81Å; Y441-N456 CarbonylContact O-C 3.57Å; Y441-N456 VanDerWaalsContact O-CA 3.25Å; Y441-N456 WeakPolarHBondContact O-CA 3.32Å; Y441-N456 WeakPolarHBondContact O-CB 3.33Å; Y441-S457 PolarHBondContact N-OG 2.83Å; Y441-S457 PolarHBondContact O-N 3.04Å
442	P	96.5	Very high	91.3	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	127.8	168.6	-24.3	33.5	0	0	0	112.1	L397 G401 I403 F431 V454	L397-P442 HydrophobicContact CD1-CB 3.87Å; G401-P442 WeakPolarHBondContact O-CD 3.35Å; I403-P442 HydrophobicContact CD1-CB 3.54Å; I403-P442 HydrophobicContact CD1-CG 3.81Å; I403-P442 HydrophobicContact CG1-CB 3.97Å; I403-P442 HydrophobicContact CG1-CG 4.12Å; F431-P442 HydrophobicContact CB-CG 3.94Å; F431-P442 HydrophobicContact CD2-CG 3.57Å; F431-P442 HydrophobicContact CE2-CG 4.26Å; F431-P442 HydrophobicContact CG-CG 3.83Å; P442-V454 HydrophobicContact CB-CG1 3.78Å; P442-V454 HydrophobicContact CG-CG1 4.38Å
443	E	95.9	Very high	91.6	Very high	55 Å²	55	56 Å²	56	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-34.3	-179	-169	-172.7	154.5	0	0	112.2	L397 Y441 I455	L397-E443 WeakPolarHBondContact CD2-O 3.35Å; Y441-E443 PolarHBondContact O-N 2.81Å; E443-I455 WeakPolarHBondContact CA-O 3.23Å; E443-I455 PolarHBondContact N-O 3.41Å
444	R	97.3	Very high	92	Very high	91 Å²	91	55 Å²	55	34%	0.343	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.1	-177.9	-53.7	-73	-89.3	-90.4	-2.6	111.3	Q386 F446 V454 I455	Q386-R444 VanDerWaalsContact OE1-CA 3.23Å; R444-F446 HydrophobicContact CB-CE2 3.58Å; R444-F446 HydrophobicContact CB-CZ 3.92Å; R444-V454 CarbonylContact O-C 3.55Å; R444-V454 VanDerWaalsContact O-CA 3.24Å; R444-V454 WeakPolarHBondContact O-CA 3.42Å; R444-I455 HydrophobicContact CB-CB 4.09Å; R444-I455 HydrophobicContact CB-CD1 4.28Å; R444-I455 HydrophobicContact CB-CG1 4.42Å; R444-I455 HydrophobicContact CG-CB 4.49Å; R444-I455 PolarHBondContact N-O 2.92Å; R444-I455 PolarHBondContact O-N 2.74Å
445	L	98.1	Very high	92.3	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.4	179.8	177.8	66.8	0	0	0	110.3	A388 A395 L397 I403 V454 W464	A388-L445 HydrophobicContact CB-CD2 3.73Å; A388-L445 HydrophobicContact CB-CG 3.67Å; A395-L445 HydrophobicContact CB-CD1 4.38Å; A395-L445 HydrophobicContact CB-CD2 3.86Å; L397-L445 HydrophobicContact CB-CB 4.3Å; L397-L445 HydrophobicContact CB-CD2 4.36Å; I403-L445 HydrophobicContact CD1-CD1 4.39Å; L445-V454 HydrophobicContact CD1-CG2 3.75Å; L445-W464 HydrophobicContact CD1-CH2 4.48Å
446	F	97.7	Very high	92.8	Very high	37 Å²	37	43.9 Å²	43.9	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.4	177.6	-51.4	-92.6	0	0	0	109.8	R444 Y452 A453 I455 V511 I513	R444-F446 HydrophobicContact CB-CE2 3.58Å; R444-F446 HydrophobicContact CB-CZ 3.92Å; F446-Y452 WeakPolarHBondContact O-CA 3.39Å; F446-A453 HydrophobicContact CB-CB 4.27Å; F446-A453 HydrophobicContact CD2-CB 4.4Å; F446-A453 PolarHBondContact N-O 3.13Å; F446-A453 PolarHBondContact O-N 2.81Å; F446-I455 HydrophobicContact CE2-CD1 3.58Å; F446-I455 HydrophobicContact CE2-CG1 3.95Å; F446-I455 HydrophobicContact CZ-CD1 4.07Å; F446-V511 HydrophobicContact CD1-CB 4.47Å; F446-V511 VanDerWaalsContact CD1-O 3.31Å; F446-V511 WeakPolarHBondContact CD1-O 3.16Å; F446-V511 HydrophobicContact CD2-CB 4.03Å; F446-V511 HydrophobicContact CD2-CG2 4.4Å; F446-V511 HydrophobicContact CE2-CB 4.27Å; F446-V511 HydrophobicContact CE2-CG2 4.38Å; F446-V511 HydrophobicContact CG-CB 4.14Å; F446-I513 HydrophobicContact CB-CD1 3.73Å; F446-I513 HydrophobicContact CB-CG1 4.38Å
447	A	95.9	Very high	93.1	Very high	22 Å²	22	37 Å²	37	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.2	173.7	0	0	0	0	0	110.2	A388 Y452	A388-A447 HydrophobicContact CB-CB 3.78Å; A447-Y452 HydrophobicContact CB-CD1 3.67Å; A447-Y452 HydrophobicContact CB-CE1 3.56Å
448	G	92.6	Very high	93.5	Very high	4 Å²	4	39 Å²	39	4%	0.041	19%	0.19	C	C	.	.			trans	-102.9	-158.2	154.3	0	0	0	0	0	109.5	G390 M450 H451	G390-G448 WeakPolarHBondContact CA-O 3.27Å; G448-M450 PolarHBondContact O-N 2.91Å; G448-H451 PolarHBondContact N-O 3.28Å
449	L	90.7	Very high	94.1	Very high	20 Å²	20	33.1 Å²	33.1	11%	0.105	16%	0.159	C	C	.	.	S	Bend	trans	-63.5	-44	-176.8	-66.1	-179.3	0	0	0	114	A34 M286 G338 A339 G391 P515	A34-L449 HydrophobicContact CB-CD1 4.44Å; M286-L449 HydrophobicContact CE-CD1 3.75Å; M286-L449 HydrophobicContact CE-CD2 4.12Å; G338-L449 WeakPolarHBondContact O-CD2 3.37Å; A339-L449 HydrophobicContact CB-CD2 3.86Å; G391-L449 WeakPolarHBondContact CA-O 3.21Å; G391-L449 PolarHBondContact N-O 2.86Å; L449-P515 HydrophobicContact CD1-CB 3.82Å; L449-P515 HydrophobicContact CD1-CG 3.94Å
450	M	88.6	Confident	94.4	Very high	22 Å²	22	27 Å²	27	11%	0.108	13%	0.127	C	C	.	.	S	Bend	trans	-141.2	20.8	-172.3	-66.3	-66.6	159.2	0	0	112.4	V37 G448 G465 R466	V37-M450 HydrophobicContact CG1-CE 4.23Å; V37-M450 HydrophobicContact CG1-CG 4.09Å; G448-M450 PolarHBondContact O-N 2.91Å; M450-G465 VanDerWaalsContact O-CA 3.26Å; M450-G465 WeakPolarHBondContact O-CA 3.33Å; M450-R466 HydrophobicContact CB-CB 3.95Å; M450-R466 PolarHBondContact O-N 3.21Å
451	H	94	Very high	94.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.4	178.1	57.9	-73.9	0	0	0	111.1	G448 W464 N471 L472 I513 G514	G448-H451 PolarHBondContact N-O 3.28Å; H451-W464 CarbonylContact C-O 3.06Å; H451-W464 VanDerWaalsContact CA-O 3.24Å; H451-W464 WeakPolarHBondContact CA-O 3.21Å; H451-W464 VanDerWaalsContact CB-O 3.23Å; H451-W464 WeakPolarHBondContact CB-O 3.22Å; H451-N471 PolarHBondContact CD2-ND2 3.45Å; H451-N471 PolarHBondContact CE1-ND2 3.41Å; H451-N471 VanDerWaalsContact CE1-ND2 3.25Å; H451-N471 PolarHBondContact NE2-ND2 3.27Å; H451-L472 HydrophobicContact CB-CD2 3.64Å; H451-I513 WeakPolarHBondContact CD2-CG2 3.18Å; H451-I513 VanDerWaalsContact CE1-CG2 3.46Å; H451-I513 WeakPolarHBondContact CE1-CG2 3.44Å; H451-I513 WeakPolarHBondContact NE2-CG2 3.38Å; H451-G514 PolarHBondContact CE1-O 3.1Å
452	Y	97.5	Very high	94.7	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.9	-170.8	-66.3	-90.9	0	0	0	109.6	S393 C394 A395 F446 A447 M463 W464	S393-Y452 WeakPolarHBondContact CB-OH 3.32Å; S393-Y452 PolarHBondContact O-OH 3.34Å; S393-Y452 PolarHBondContact OG-OH 2.78Å; C394-Y452 PolarHBondContact N-OH 2.78Å; A395-Y452 HydrophobicContact CB-CD1 4.11Å; A395-Y452 HydrophobicContact CB-CE1 3.76Å; F446-Y452 WeakPolarHBondContact O-CA 3.39Å; A447-Y452 HydrophobicContact CB-CD1 3.67Å; A447-Y452 HydrophobicContact CB-CE1 3.56Å; Y452-M463 VanDerWaalsContact O-CA 3.31Å; Y452-M463 WeakPolarHBondContact O-CA 3.13Å; Y452-W464 VanDerWaalsContact CB-CE2 3.46Å; Y452-W464 HydrophobicContact CD1-CZ2 4.46Å; Y452-W464 AromaticContact CD2-CE2 4Å; Y452-W464 HydrophobicContact CD2-CZ2 4.17Å; Y452-W464 AromaticContact CD2-NE1 3.67Å; Y452-W464 AromaticContact CG-CE2 3.96Å; Y452-W464 HydrophobicContact CG-CH2 4.36Å; Y452-W464 AromaticContact CG-CZ2 3.75Å; Y452-W464 HydrophobicContact CG-CZ2 3.75Å; Y452-W464 PolarHBondContact N-O 3.46Å; Y452-W464 PolarHBondContact O-N 3.31Å
453	A	97.8	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.4	172.6	0	0	0	0	0	110.8	F446 L461 Y462 M463 V511 I513	F446-A453 HydrophobicContact CB-CB 4.27Å; F446-A453 HydrophobicContact CD2-CB 4.4Å; F446-A453 PolarHBondContact N-O 3.13Å; F446-A453 PolarHBondContact O-N 2.81Å; A453-L461 HydrophobicContact CB-CD1 3.87Å; A453-Y462 CarbonylContact C-O 3.14Å; A453-Y462 VanDerWaalsContact CA-O 3.27Å; A453-Y462 WeakPolarHBondContact CA-O 3.14Å; A453-M463 HydrophobicContact CB-CE 4.19Å; A453-M463 HydrophobicContact CB-CG 3.78Å; A453-M463 HydrophobicContact CB-SD 4.41Å; A453-V511 HydrophobicContact CB-CG1 4.15Å; A453-I513 HydrophobicContact CB-CD1 3.69Å
454	V	97.8	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.1	173.9	169.9	0	0	0	0	109	I403 F431 P442 R444 L445 L461 Y462 W464	I403-V454 HydrophobicContact CD1-CB 4.28Å; I403-V454 HydrophobicContact CD1-CG1 3.94Å; I403-V454 HydrophobicContact CD1-CG2 3.31Å; F431-V454 HydrophobicContact CD1-CB 3.89Å; F431-V454 HydrophobicContact CD1-CG1 3.73Å; F431-V454 HydrophobicContact CD1-CG2 4.19Å; F431-V454 HydrophobicContact CE1-CB 3.92Å; F431-V454 HydrophobicContact CE1-CG1 4.14Å; F431-V454 HydrophobicContact CE1-CG2 3.73Å; F431-V454 HydrophobicContact CG-CG1 4.24Å; F431-V454 HydrophobicContact CZ-CG2 4.33Å; P442-V454 HydrophobicContact CB-CG1 3.78Å; P442-V454 HydrophobicContact CG-CG1 4.38Å; R444-V454 CarbonylContact O-C 3.55Å; R444-V454 VanDerWaalsContact O-CA 3.24Å; R444-V454 WeakPolarHBondContact O-CA 3.42Å; L445-V454 HydrophobicContact CD1-CG2 3.75Å; V454-L461 WeakPolarHBondContact O-CA 3Å; V454-Y462 PolarHBondContact N-O 3.12Å; V454-Y462 PolarHBondContact O-N 3.26Å; V454-W464 HydrophobicContact CB-CZ3 4.3Å; V454-W464 HydrophobicContact CG2-CH2 3.67Å; V454-W464 HydrophobicContact CG2-CZ3 3.65Å
455	I	95.8	Very high	94.7	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.026	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.6	166.8	-51.7	169.1	0	0	0	106.8	E443 R444 F446 E460 L461 V508 V511	E443-I455 WeakPolarHBondContact CA-O 3.23Å; E443-I455 PolarHBondContact N-O 3.41Å; R444-I455 HydrophobicContact CB-CB 4.09Å; R444-I455 HydrophobicContact CB-CD1 4.28Å; R444-I455 HydrophobicContact CB-CG1 4.42Å; R444-I455 HydrophobicContact CG-CB 4.49Å; R444-I455 PolarHBondContact N-O 2.92Å; R444-I455 PolarHBondContact O-N 2.74Å; F446-I455 HydrophobicContact CE2-CD1 3.58Å; F446-I455 HydrophobicContact CE2-CG1 3.95Å; F446-I455 HydrophobicContact CZ-CD1 4.07Å; I455-E460 WeakPolarHBondContact CA-O 2.94Å; I455-L461 HydrophobicContact CG1-CD1 4.27Å; I455-V508 HydrophobicContact CD1-CB 4.21Å; I455-V508 HydrophobicContact CD1-CG1 3.73Å; I455-V508 HydrophobicContact CG1-CB 4.4Å; I455-V508 HydrophobicContact CG1-CG1 4.15Å; I455-V508 HydrophobicContact CG2-CB 4.46Å; I455-V508 WeakPolarHBondContact CG2-O 3.42Å; I455-V511 HydrophobicContact CD1-CG2 4.2Å; I455-V511 HydrophobicContact CG1-CG2 4.44Å
456	N	94.9	Very high	94.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	174.7	175.4	73.6	10.4	0	0	0	112.1	F431 I440 Y441 K458 G459 E460	F431-N456 PolarHBondContact O-ND2 2.88Å; F431-N456 VanDerWaalsContact O-ND2 3.11Å; I440-N456 HydrophobicContact CG2-CB 4.01Å; I440-N456 VanDerWaalsContact CG2-ND2 3.33Å; I440-N456 WeakPolarHBondContact CG2-ND2 3.43Å; Y441-N456 CarbonylContact O-C 3.57Å; Y441-N456 VanDerWaalsContact O-CA 3.25Å; Y441-N456 WeakPolarHBondContact O-CA 3.32Å; Y441-N456 WeakPolarHBondContact O-CB 3.33Å; N456-K458 PolarHBondContact O-N 3.31Å; N456-K458 WeakPolarHBondContact OD1-CA 3.38Å; N456-K458 WeakPolarHBondContact OD1-CB 3.26Å; N456-K458 PolarHBondContact OD1-N 2.92Å; N456-G459 PolarHBondContact O-N 2.81Å; N456-G459 PolarHBondContact OD1-N 3.14Å; N456-E460 PolarHBondContact N-O 2.99Å; N456-E460 VanDerWaalsContact N-O 3.1Å; N456-E460 PolarHBondContact ND2-OE2 2.82Å; N456-E460 WeakPolarHBondContact OD1-CB 3.32Å; N456-E460 PolarHBondContact OD1-N 2.77Å
457	S	92.7	Very high	94.3	Very high	31 Å²	31	14 Å²	14	22%	0.217	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-7.1	179.2	62.6	0	0	0	0	115.5	N439 Y441	N439-S457 PolarHBondContact O-OG 2.86Å; N439-S457 VanDerWaalsContact O-OG 3.09Å; Y441-S457 PolarHBondContact N-OG 2.83Å; Y441-S457 PolarHBondContact O-N 3.04Å
458	K	90	Very high	94	Very high	123 Å²	123	16.9 Å²	16.9	54%	0.535	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.7	174.7	-59.7	-60.2	-176.5	-178.1	0	113.2	I440 N456 E460	I440-K458 HydrophobicContact CD1-CG 3.93Å; I440-K458 HydrophobicContact CG1-CG 4.04Å; N456-K458 PolarHBondContact O-N 3.31Å; N456-K458 WeakPolarHBondContact OD1-CA 3.38Å; N456-K458 WeakPolarHBondContact OD1-CB 3.26Å; N456-K458 PolarHBondContact OD1-N 2.92Å; K458-E460 VanDerWaalsContact C-N 3.26Å; K458-E460 HydrophobicContact CB-CG 4.07Å; K458-E460 PolarHBondContact O-N 3.14Å
459	G	90.4	Very high	93.9	Very high	3 Å²	3	18.2 Å²	18.2	3%	0.031	9%	0.086	C	C	.	.	S	Bend	trans	75.6	13.4	-176.6	0	0	0	0	0	113.5	N456 V508	N456-G459 PolarHBondContact O-N 2.81Å; N456-G459 PolarHBondContact OD1-N 3.14Å; G459-V508 PolarHBondContact O-N 3.02Å
460	E	92.1	Very high	93.9	Very high	11 Å²	11	17.2 Å²	17.2	5%	0.051	8%	0.081	C	C	.	.			trans	-83.2	134.6	178.5	-55.4	174.6	133.4	0	0	110.2	R437 I455 N456 K458 Y462 K485	R437-E460 IonicContact CZ-OE1 3.63Å; R437-E460 IonicContact CZ-OE2 3.5Å; R437-E460 IonicContact NH1-OE1 3.51Å; R437-E460 IonicContact NH1-OE2 2.92Å; R437-E460 PolarHBondContact NH1-OE2 3.13Å; R437-E460 VanDerWaalsContact NH2-CD 3.28Å; R437-E460 IonicContact NH2-OE1 2.85Å; R437-E460 PolarHBondContact NH2-OE1 2.94Å; R437-E460 IonicContact NH2-OE2 3.13Å; R437-E460 PolarHBondContact NH2-OE2 2.81Å; R437-E460 VanDerWaalsContact NH2-OE2 3.13Å; I455-E460 WeakPolarHBondContact CA-O 2.94Å; N456-E460 PolarHBondContact N-O 2.99Å; N456-E460 VanDerWaalsContact N-O 3.1Å; N456-E460 PolarHBondContact ND2-OE2 2.82Å; N456-E460 WeakPolarHBondContact OD1-CB 3.32Å; N456-E460 PolarHBondContact OD1-N 2.77Å; K458-E460 VanDerWaalsContact C-N 3.26Å; K458-E460 HydrophobicContact CB-CG 4.07Å; K458-E460 PolarHBondContact O-N 3.14Å; E460-Y462 HydrophobicContact CB-CE2 3.88Å; E460-K485 IonicContact OE1-NZ 2.7Å; E460-K485 PolarHBondContact OE1-NZ 3.25Å
461	L	95	Very high	94.1	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.9	-178.9	176.6	61.9	0	0	0	111.4	W114 A453 V454 I455 M463 K485 V486 V508 V511	W114-L461 HydrophobicContact CH2-CD2 3.71Å; W114-L461 HydrophobicContact CZ2-CD2 3.98Å; A453-L461 HydrophobicContact CB-CD1 3.87Å; V454-L461 WeakPolarHBondContact O-CA 3Å; I455-L461 HydrophobicContact CG1-CD1 4.27Å; L461-M463 HydrophobicContact CD1-CG 4.06Å; L461-M463 HydrophobicContact CD2-CG 4.48Å; L461-M463 HydrophobicContact CD2-SD 4.22Å; L461-M463 HydrophobicContact CG-CG 4.12Å; L461-M463 HydrophobicContact CG-SD 4.49Å; L461-K485 CarbonylContact O-C 3.58Å; L461-K485 WeakPolarHBondContact O-CA 3.41Å; L461-V486 HydrophobicContact CB-CB 4.32Å; L461-V486 HydrophobicContact CD2-CB 4.01Å; L461-V486 HydrophobicContact CD2-CG1 4.24Å; L461-V486 HydrophobicContact CD2-CG2 4.15Å; L461-V486 HydrophobicContact CG-CB 4.03Å; L461-V486 HydrophobicContact CG-CG2 4.01Å; L461-V486 PolarHBondContact O-N 3.4Å; L461-V508 HydrophobicContact CB-CB 4.48Å; L461-V508 HydrophobicContact CB-CG2 3.95Å; L461-V511 HydrophobicContact CD1-CG2 3.77Å; L461-V511 HydrophobicContact CD2-CG2 4.33Å
462	Y	96.4	Very high	94.2	Very high	18 Å²	18	16.2 Å²	16.2	7%	0.071	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.9	172.8	-68.5	-101.4	0	0	0	109.5	L430 F431 G432 A453 V454 E460 F484 K485	L430-Y462 VanDerWaalsContact O-CD1 3.23Å; L430-Y462 WeakPolarHBondContact O-CD1 3.23Å; L430-Y462 WeakPolarHBondContact O-CE1 3.42Å; F431-Y462 HydrophobicContact CD1-CG 4.44Å; G432-Y462 WeakPolarHBondContact CA-OH 3.42Å; A453-Y462 CarbonylContact C-O 3.14Å; A453-Y462 VanDerWaalsContact CA-O 3.27Å; A453-Y462 WeakPolarHBondContact CA-O 3.14Å; V454-Y462 PolarHBondContact N-O 3.12Å; V454-Y462 PolarHBondContact O-N 3.26Å; E460-Y462 HydrophobicContact CB-CE2 3.88Å; Y462-F484 CarbonylContact C-O 3.57Å; Y462-F484 VanDerWaalsContact CA-O 3.3Å; Y462-F484 WeakPolarHBondContact CA-O 3.2Å; Y462-K485 HydrophobicContact CD1-CB 4.13Å; Y462-K485 HydrophobicContact CE1-CB 3.78Å; Y462-K485 HydrophobicContact CE1-CG 4.45Å
463	M	97.6	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.6	179.4	-66.4	-172.6	78.6	0	0	111.9	W114 Y452 A453 L461 L472 F484 V486 I513 T518	W114-M463 HydrophobicContact CZ2-SD 3.65Å; Y452-M463 VanDerWaalsContact O-CA 3.31Å; Y452-M463 WeakPolarHBondContact O-CA 3.13Å; A453-M463 HydrophobicContact CB-CE 4.19Å; A453-M463 HydrophobicContact CB-CG 3.78Å; A453-M463 HydrophobicContact CB-SD 4.41Å; L461-M463 HydrophobicContact CD1-CG 4.06Å; L461-M463 HydrophobicContact CD2-CG 4.48Å; L461-M463 HydrophobicContact CD2-SD 4.22Å; L461-M463 HydrophobicContact CG-CG 4.12Å; L461-M463 HydrophobicContact CG-SD 4.49Å; M463-L472 HydrophobicContact CB-CB 4.37Å; M463-L472 HydrophobicContact CB-CD2 4.2Å; M463-L472 HydrophobicContact CE-CD2 4.11Å; M463-F484 PolarHBondContact N-O 3.03Å; M463-F484 PolarHBondContact O-N 2.84Å; M463-V486 HydrophobicContact CB-CG2 3.88Å; M463-V486 HydrophobicContact CG-CG2 3.71Å; M463-V486 HydrophobicContact SD-CG2 3.93Å; M463-I513 HydrophobicContact CE-CD1 4.45Å; M463-T518 HydrophobicContact CE-CG2 3.83Å; M463-T518 HydrophobicContact SD-CG2 4.21Å
464	W	97.7	Very high	93.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.5	172.6	69.2	99.2	0	0	0	109.7	P410 G412 L426 F431 L445 H451 Y452 V454 Q480 P483	P410-W464 PolarHBondContact O-NE1 2.99Å; G412-W464 VanDerWaalsContact CA-CD1 3.46Å; G412-W464 VanDerWaalsContact N-CD1 3.32Å; L426-W464 HydrophobicContact CD2-CH2 4.31Å; L426-W464 HydrophobicContact CD2-CZ2 3.85Å; F431-W464 HydrophobicContact CE1-CH2 4.11Å; F431-W464 AromaticContact CE1-CZ3 3.81Å; F431-W464 HydrophobicContact CE1-CZ3 3.81Å; F431-W464 HydrophobicContact CZ-CH2 4.3Å; F431-W464 HydrophobicContact CZ-CZ3 4.44Å; L445-W464 HydrophobicContact CD1-CH2 4.48Å; H451-W464 CarbonylContact C-O 3.06Å; H451-W464 VanDerWaalsContact CA-O 3.24Å; H451-W464 WeakPolarHBondContact CA-O 3.21Å; H451-W464 VanDerWaalsContact CB-O 3.23Å; H451-W464 WeakPolarHBondContact CB-O 3.22Å; Y452-W464 VanDerWaalsContact CB-CE2 3.46Å; Y452-W464 HydrophobicContact CD1-CZ2 4.46Å; Y452-W464 AromaticContact CD2-CE2 4Å; Y452-W464 HydrophobicContact CD2-CZ2 4.17Å; Y452-W464 AromaticContact CD2-NE1 3.67Å; Y452-W464 AromaticContact CG-CE2 3.96Å; Y452-W464 HydrophobicContact CG-CH2 4.36Å; Y452-W464 AromaticContact CG-CZ2 3.75Å; Y452-W464 HydrophobicContact CG-CZ2 3.75Å; Y452-W464 PolarHBondContact N-O 3.46Å; Y452-W464 PolarHBondContact O-N 3.31Å; V454-W464 HydrophobicContact CB-CZ3 4.3Å; V454-W464 HydrophobicContact CG2-CH2 3.67Å; V454-W464 HydrophobicContact CG2-CZ3 3.65Å; W464-Q480 HydrophobicContact CB-CG 4.38Å; W464-Q480 WeakPolarHBondContact CB-O 3.39Å; W464-P483 HydrophobicContact CD2-CB 4.28Å; W464-P483 HydrophobicContact CD2-CG 3.79Å; W464-P483 HydrophobicContact CE3-CB 3.67Å; W464-P483 HydrophobicContact CE3-CG 3.57Å; W464-P483 HydrophobicContact CG-CG 4.29Å; W464-P483 HydrophobicContact CZ3-CB 4.15Å; W464-P483 HydrophobicContact CZ3-CG 3.99Å
465	G	96.2	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.7	-160.9	-177.8	0	0	0	0	0	113.6	M450 Q480	M450-G465 VanDerWaalsContact O-CA 3.26Å; M450-G465 WeakPolarHBondContact O-CA 3.33Å; G465-Q480 PolarHBondContact N-O 3.06Å; G465-Q480 PolarHBondContact O-N 2.65Å
466	R	92	Very high	93.3	Very high	30 Å²	30	21.8 Å²	21.8	11%	0.113	11%	0.112	C	C	.	.			trans	-65.3	141.8	166.4	-179.6	171.5	-165	-174.8	13.6	110.7	Y33 M450 E468 N471 Y479	Y33-R466 PolarHBondContact OH-NE 3.44Å; Y33-R466 VanDerWaalsContact OH-NE 3.09Å; Y33-R466 PolarHBondContact OH-NH1 3.11Å; Y33-R466 PolarHBondContact OH-NH2 3.14Å; M450-R466 HydrophobicContact CB-CB 3.95Å; M450-R466 PolarHBondContact O-N 3.21Å; R466-E468 IonicContact CZ-OE2 2.83Å; R466-E468 VanDerWaalsContact CZ-OE2 3.3Å; R466-E468 IonicContact NE-OE2 2.87Å; R466-E468 PolarHBondContact NE-OE2 3.29Å; R466-E468 IonicContact NH2-OE2 3.76Å; R466-E468 PolarHBondContact NH2-OE2 3.43Å; R466-N471 PolarHBondContact O-ND2 3.14Å; R466-Y479 HydrophobicContact CB-CD1 4.49Å; R466-Y479 HydrophobicContact CB-CE1 4.12Å; R466-Y479 HydrophobicContact CB-CE2 4.42Å; R466-Y479 WeakPolarHBondContact CD-OH 3.2Å; R466-Y479 HydrophobicContact CG-CD2 4.36Å; R466-Y479 HydrophobicContact CG-CE1 4.12Å; R466-Y479 HydrophobicContact CG-CE2 3.7Å; R466-Y479 PolarHBondContact NE-OH 3.4Å; R466-Y479 VanDerWaalsContact NE-OH 3.09Å
467	N	94.5	Very high	93.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.			trans	-143.6	25.8	-171.7	-165.8	25.4	0	0	0	113.5	F469 G470 N471 L472 H476 A477 R478	N467-F469 PolarHBondContact O-N 3.25Å; N467-F469 VanDerWaalsContact O-N 3.1Å; N467-G470 PolarHBondContact O-N 2.77Å; N467-G470 WeakPolarHBondContact OD1-CA 3.49Å; N467-N471 VanDerWaalsContact CA-OD1 3.25Å; N467-N471 WeakPolarHBondContact CA-OD1 3.23Å; N467-N471 PolarHBondContact OD1-N 2.62Å; N467-N471 VanDerWaalsContact OD1-N 3.1Å; N467-L472 HydrophobicContact CB-CB 4.41Å; N467-L472 HydrophobicContact CB-CD1 3.59Å; N467-L472 HydrophobicContact CB-CG 3.69Å; N467-L472 WeakPolarHBondContact OD1-CB 3.23Å; N467-L472 WeakPolarHBondContact OD1-CG 3.43Å; N467-L472 PolarHBondContact OD1-N 2.92Å; N467-H476 PolarHBondContact ND2-ND1 2.91Å; N467-H476 PolarHBondContact ND2-O 3.17Å; N467-A477 CarbonylContact C-O 3.58Å; N467-A477 CarbonylContact O-C 3.56Å; N467-A477 WeakPolarHBondContact O-CA 3.44Å; N467-R478 WeakPolarHBondContact CB-O 3.37Å; N467-R478 PolarHBondContact ND2-O 3.12Å
468	E	89	Confident	93.3	Very high	81 Å²	81	32 Å²	32	38%	0.379	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.2	-169.9	-173.5	168.3	170.3	0	0	113.6	Y33 R466 A477	Y33-E468 PolarHBondContact OH-OE2 3.31Å; R466-E468 IonicContact CZ-OE2 2.83Å; R466-E468 VanDerWaalsContact CZ-OE2 3.3Å; R466-E468 IonicContact NE-OE2 2.87Å; R466-E468 PolarHBondContact NE-OE2 3.29Å; R466-E468 IonicContact NH2-OE2 3.76Å; R466-E468 PolarHBondContact NH2-OE2 3.43Å; E468-A477 WeakPolarHBondContact O-CB 3.48Å
469	F	90.7	Very high	93.5	Very high	32 Å²	32	30 Å²	30	14%	0.14	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	14.7	177.5	-55.1	-64.1	0	0	0	113.1	Y33 G115 Y116 F139 N467 N471 C516	Y33-F469 HydrophobicContact CE1-CE2 4.13Å; Y33-F469 HydrophobicContact CE2-CE2 4.33Å; Y33-F469 HydrophobicContact CE2-CZ 4.45Å; Y33-F469 AromaticContact CZ-CE2 3.71Å; Y33-F469 WeakPolarHBondContact OH-CE2 3.24Å; G115-F469 CarbonylContact C-O 3.58Å; G115-F469 VanDerWaalsContact CA-O 3.29Å; G115-F469 WeakPolarHBondContact CA-O 3.5Å; Y116-F469 HydrophobicContact CD2-CB 4.22Å; Y116-F469 AromaticContact CD2-CD1 3.52Å; Y116-F469 HydrophobicContact CD2-CD1 3.52Å; Y116-F469 HydrophobicContact CD2-CD2 4.49Å; Y116-F469 AromaticContact CD2-CE1 3.96Å; Y116-F469 HydrophobicContact CD2-CE1 3.96Å; Y116-F469 AromaticContact CD2-CG 3.82Å; Y116-F469 HydrophobicContact CD2-CG 3.82Å; Y116-F469 HydrophobicContact CE2-CD1 4.03Å; Y116-F469 HydrophobicContact CE2-CE1 4.06Å; Y116-F469 HydrophobicContact CG-CD1 4.48Å; Y116-F469 HydrophobicContact CG-CG 4.39Å; F139-F469 HydrophobicContact CB-CB 4.33Å; F139-F469 WeakPolarHBondContact CB-O 3.31Å; N467-F469 PolarHBondContact O-N 3.25Å; N467-F469 VanDerWaalsContact O-N 3.1Å; F469-N471 VanDerWaalsContact C-N 3.26Å; F469-N471 PolarHBondContact O-N 2.69Å; F469-C516 HydrophobicContact CD2-CB 3.69Å; F469-C516 HydrophobicContact CE2-CB 4.16Å; F469-C516 VanDerWaalsContact CE2-SG 3.52Å
470	G	91.6	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	72.4	18.7	-174.3	0	0	0	0	0	113.8	N467 L472 G473	N467-G470 PolarHBondContact O-N 2.77Å; N467-G470 WeakPolarHBondContact OD1-CA 3.49Å; G470-L472 PolarHBondContact O-N 2.87Å; G470-G473 PolarHBondContact O-N 3.47Å
471	N	93.1	Very high	93.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.2	-177.6	59.4	-83	0	0	0	114.9	W114 H451 R466 N467 F469 C516 T518	W114-N471 VanDerWaalsContact CD1-C 3.46Å; W114-N471 VanDerWaalsContact CD1-O 3.32Å; W114-N471 PolarHBondContact NE1-O 2.86Å; H451-N471 PolarHBondContact CD2-ND2 3.45Å; H451-N471 PolarHBondContact CE1-ND2 3.41Å; H451-N471 VanDerWaalsContact CE1-ND2 3.25Å; H451-N471 PolarHBondContact NE2-ND2 3.27Å; R466-N471 PolarHBondContact O-ND2 3.14Å; N467-N471 VanDerWaalsContact CA-OD1 3.25Å; N467-N471 WeakPolarHBondContact CA-OD1 3.23Å; N467-N471 PolarHBondContact OD1-N 2.62Å; N467-N471 VanDerWaalsContact OD1-N 3.1Å; F469-N471 VanDerWaalsContact C-N 3.26Å; F469-N471 PolarHBondContact O-N 2.69Å; N471-C516 WeakPolarHBondContact CB-O 3.14Å; N471-T518 PolarHBondContact O-OG1 2.91Å; N471-T518 VanDerWaalsContact O-OG1 3.07Å
472	L	95.4	Very high	94	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.8	169.2	-54.9	-176.2	0	0	0	113.8	W114 H451 M463 N467 G470 L474 Q480 V486	W114-L472 VanDerWaalsContact NE1-C 3.3Å; H451-L472 HydrophobicContact CB-CD2 3.64Å; M463-L472 HydrophobicContact CB-CB 4.37Å; M463-L472 HydrophobicContact CB-CD2 4.2Å; M463-L472 HydrophobicContact CE-CD2 4.11Å; N467-L472 HydrophobicContact CB-CB 4.41Å; N467-L472 HydrophobicContact CB-CD1 3.59Å; N467-L472 HydrophobicContact CB-CG 3.69Å; N467-L472 WeakPolarHBondContact OD1-CB 3.23Å; N467-L472 WeakPolarHBondContact OD1-CG 3.43Å; N467-L472 PolarHBondContact OD1-N 2.92Å; G470-L472 PolarHBondContact O-N 2.87Å; L472-L474 VanDerWaalsContact C-N 3.29Å; L472-L474 HydrophobicContact CB-CD1 3.88Å; L472-L474 HydrophobicContact CB-CG 3.84Å; L472-L474 HydrophobicContact CD1-CD1 3.99Å; L472-L474 PolarHBondContact O-N 2.84Å; L472-Q480 HydrophobicContact CD1-CB 3.44Å; L472-Q480 VanDerWaalsContact CD1-CB 3.44Å; L472-Q480 HydrophobicContact CD1-CG 4.37Å; L472-V486 WeakPolarHBondContact O-CG2 3.34Å
473	G	93.5	Very high	94	Very high	5 Å²	5	36.7 Å²	36.7	5%	0.052	17%	0.173	C	C	.	.			trans	72	20.9	177	0	0	0	0	0	114.3	W114 H141 P143 G470	W114-G473 VanDerWaalsContact CD1-CA 3.41Å; H141-G473 CarbonylContact O-C 3.59Å; H141-G473 VanDerWaalsContact O-CA 3.3Å; H141-G473 WeakPolarHBondContact O-CA 3.35Å; P143-G473 WeakPolarHBondContact CD-O 2.76Å; G470-G473 PolarHBondContact O-N 3.47Å
474	L	93.6	Very high	93.9	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.168	19%	0.194	C	C	.	.	S	Bend	trans	-92.1	6.5	-173.4	-60	176.6	0	0	0	114.3	H141 L472 H476 Q480 F484 V486	H141-L474 PolarHBondContact O-N 2.89Å; L472-L474 VanDerWaalsContact C-N 3.29Å; L472-L474 HydrophobicContact CB-CD1 3.88Å; L472-L474 HydrophobicContact CB-CG 3.84Å; L472-L474 HydrophobicContact CD1-CD1 3.99Å; L472-L474 PolarHBondContact O-N 2.84Å; L474-H476 VanDerWaalsContact C-N 3.32Å; L474-H476 PolarHBondContact O-CD2 3.07Å; L474-H476 PolarHBondContact O-N 3.08Å; L474-Q480 HydrophobicContact CD1-CB 3.88Å; L474-Q480 HydrophobicContact CD1-CG 3.62Å; L474-F484 HydrophobicContact CD1-CB 3.89Å; L474-F484 HydrophobicContact CD1-CD2 4.49Å; L474-F484 HydrophobicContact CD2-CB 3.77Å; L474-F484 HydrophobicContact CG-CB 4.49Å; L474-V486 HydrophobicContact CD2-CG2 4.04Å
475	G	91.5	Very high	93.7	Very high	29 Å²	29	45.3 Å²	45.3	30%	0.299	21%	0.211	S	C	.	.	S	Bend	trans	78.7	10.5	-178.5	0	0	0	0	0	114.6	H141	H141-G475 PolarHBondContact CE1-O 2.76Å; H141-G475 WeakPolarHBondContact ND1-CA 3.09Å; H141-G475 PolarHBondContact ND1-O 3.14Å; H141-G475 WeakPolarHBondContact O-CA 3.46Å; H141-G475 PolarHBondContact O-N 2.81Å
476	H	92.5	Very high	93.6	Very high	57 Å²	57	45.5 Å²	45.5	26%	0.264	21%	0.212	S	C	.	.	S	Bend	trans	-147.1	170.6	172.5	59.8	79.3	0	0	0	111.4	N467 L474 R478	N467-H476 PolarHBondContact ND2-ND1 2.91Å; N467-H476 PolarHBondContact ND2-O 3.17Å; L474-H476 VanDerWaalsContact C-N 3.32Å; L474-H476 PolarHBondContact O-CD2 3.07Å; L474-H476 PolarHBondContact O-N 3.08Å; H476-R478 PolarHBondContact CE1-O 3.3Å; H476-R478 VanDerWaalsContact CE1-O 3.32Å; H476-R478 PolarHBondContact ND1-N 2.83Å; H476-R478 PolarHBondContact ND1-O 3.12Å
477	A	92	Very high	93.2	Very high	45 Å²	45	49 Å²	49	37%	0.372	23%	0.232	S	C	.	.			trans	-105	4	177.8	0	0	0	0	0	114.2	N467 E468	N467-A477 CarbonylContact C-O 3.58Å; N467-A477 CarbonylContact O-C 3.56Å; N467-A477 WeakPolarHBondContact O-CA 3.44Å; E468-A477 WeakPolarHBondContact O-CB 3.48Å
478	R	94.1	Very high	92	Very high	200 Å²	200	49.5 Å²	49.5	76%	0.755	24%	0.235	S	C	*	.	S	Bend	trans	-74.3	143.3	177	-58.7	179.1	-171.4	171.6	2.4	110.9	N467 H476	N467-R478 WeakPolarHBondContact CB-O 3.37Å; N467-R478 PolarHBondContact ND2-O 3.12Å; H476-R478 PolarHBondContact CE1-O 3.3Å; H476-R478 VanDerWaalsContact CE1-O 3.32Å; H476-R478 PolarHBondContact ND1-N 2.83Å; H476-R478 PolarHBondContact ND1-O 3.12Å
479	Y	93.9	Very high	90.7	Very high	82 Å²	82	46.7 Å²	46.7	32%	0.322	23%	0.225	S	C	.	.			trans	-53	142.2	170.4	-79.2	-138.3	0	0	0	109.5	P410 R466 Y481	P410-Y479 HydrophobicContact CG-CD1 4.14Å; R466-Y479 HydrophobicContact CB-CD1 4.49Å; R466-Y479 HydrophobicContact CB-CE1 4.12Å; R466-Y479 HydrophobicContact CB-CE2 4.42Å; R466-Y479 WeakPolarHBondContact CD-OH 3.2Å; R466-Y479 HydrophobicContact CG-CD2 4.36Å; R466-Y479 HydrophobicContact CG-CE1 4.12Å; R466-Y479 HydrophobicContact CG-CE2 3.7Å; R466-Y479 PolarHBondContact NE-OH 3.4Å; R466-Y479 VanDerWaalsContact NE-OH 3.09Å; Y479-Y481 HydrophobicContact CD1-CE1 4.34Å
480	Q	96.2	Very high	88.6	Confident	19 Å²	19	46.2 Å²	46.2	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112	-179.8	-177.2	58.2	39.7	0	0	108.4	W464 G465 L472 L474 F482 F484	W464-Q480 HydrophobicContact CB-CG 4.38Å; W464-Q480 WeakPolarHBondContact CB-O 3.39Å; G465-Q480 PolarHBondContact N-O 3.06Å; G465-Q480 PolarHBondContact O-N 2.65Å; L472-Q480 HydrophobicContact CD1-CB 3.44Å; L472-Q480 VanDerWaalsContact CD1-CB 3.44Å; L472-Q480 HydrophobicContact CD1-CG 4.37Å; L474-Q480 HydrophobicContact CD1-CB 3.88Å; L474-Q480 HydrophobicContact CD1-CG 3.62Å; Q480-F482 WeakPolarHBondContact CG-O 3.41Å; Q480-F482 PolarHBondContact NE2-O 2.94Å; Q480-F484 HydrophobicContact CG-CB 4.3Å; Q480-F484 HydrophobicContact CG-CD2 4.49Å; Q480-F484 HydrophobicContact CG-CG 4.19Å
481	Y	95.6	Very high	86.4	Confident	65 Å²	65	51.5 Å²	51.5	26%	0.255	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-4.8	-173.8	-60.5	-82.6	0	0	0	114.2	P410 G412 L413 G414 P415 L418 Y479	P410-Y481 HydrophobicContact CB-CD1 3.72Å; P410-Y481 HydrophobicContact CB-CE1 4.11Å; P410-Y481 HydrophobicContact CG-CD1 4.29Å; P410-Y481 HydrophobicContact CG-CE1 4.17Å; G412-Y481 CarbonylContact C-O 3.52Å; G412-Y481 WeakPolarHBondContact CA-O 3.33Å; L413-Y481 PolarHBondContact N-O 3.5Å; G414-Y481 VanDerWaalsContact C-CB 3.47Å; G414-Y481 PolarHBondContact N-O 2.91Å; G414-Y481 VanDerWaalsContact N-O 3.14Å; P415-Y481 HydrophobicContact CB-CD1 4.31Å; P415-Y481 HydrophobicContact CB-CD2 3.7Å; P415-Y481 HydrophobicContact CB-CE1 4.47Å; P415-Y481 HydrophobicContact CB-CE2 3.85Å; P415-Y481 HydrophobicContact CB-CG 3.94Å; L418-Y481 HydrophobicContact CD2-CD1 3.99Å; L418-Y481 HydrophobicContact CD2-CE1 3.6Å; Y479-Y481 HydrophobicContact CD1-CE1 4.34Å
482	F	96.7	Very high	83.6	Confident	85 Å²	85	57.1 Å²	57.1	37%	0.373	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.2	175.5	-66.8	-75.3	0	0	0	110.5	G414 L430 Q480 F484	G414-F482 VanDerWaalsContact CA-CE2 3.5Å; L430-F482 HydrophobicContact CD2-CD1 4.25Å; Q480-F482 WeakPolarHBondContact CG-O 3.41Å; Q480-F482 PolarHBondContact NE2-O 2.94Å; F482-F484 HydrophobicContact CB-CD1 4.47Å; F482-F484 HydrophobicContact CB-CE1 4.29Å; F482-F484 WeakPolarHBondContact O-CD1 3.48Å; F482-F484 PolarHBondContact O-N 2.81Å; F482-F484 VanDerWaalsContact O-N 3.14Å
483	P	97.2	Very high	80.5	Confident	6 Å²	6	60.3 Å²	60.3	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	117	175.3	-22.8	32.7	0	0	0	112.2	L426 L430 F431 W464	L426-P483 HydrophobicContact CD2-CG 4.36Å; L430-P483 HydrophobicContact CB-CB 4.2Å; L430-P483 HydrophobicContact CB-CG 3.91Å; L430-P483 HydrophobicContact CD1-CG 4.21Å; F431-P483 HydrophobicContact CD1-CB 4.12Å; F431-P483 HydrophobicContact CD1-CG 4.42Å; F431-P483 HydrophobicContact CE1-CB 3.69Å; F431-P483 HydrophobicContact CE1-CG 3.59Å; F431-P483 HydrophobicContact CZ-CB 4.48Å; F431-P483 HydrophobicContact CZ-CG 3.91Å; W464-P483 HydrophobicContact CD2-CB 4.28Å; W464-P483 HydrophobicContact CD2-CG 3.79Å; W464-P483 HydrophobicContact CE3-CB 3.67Å; W464-P483 HydrophobicContact CE3-CG 3.57Å; W464-P483 HydrophobicContact CG-CG 4.29Å; W464-P483 HydrophobicContact CZ3-CB 4.15Å; W464-P483 HydrophobicContact CZ3-CG 3.99Å
484	F	95.6	Very high	77.5	Confident	103 Å²	103	65.2 Å²	65.2	45%	0.452	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.2	176.1	-87.9	23.4	0	0	0	110.2	Y462 M463 L474 Q480 F482 V486	Y462-F484 CarbonylContact C-O 3.57Å; Y462-F484 VanDerWaalsContact CA-O 3.3Å; Y462-F484 WeakPolarHBondContact CA-O 3.2Å; M463-F484 PolarHBondContact N-O 3.03Å; M463-F484 PolarHBondContact O-N 2.84Å; L474-F484 HydrophobicContact CD1-CB 3.89Å; L474-F484 HydrophobicContact CD1-CD2 4.49Å; L474-F484 HydrophobicContact CD2-CB 3.77Å; L474-F484 HydrophobicContact CG-CB 4.49Å; Q480-F484 HydrophobicContact CG-CB 4.3Å; Q480-F484 HydrophobicContact CG-CD2 4.49Å; Q480-F484 HydrophobicContact CG-CG 4.19Å; F482-F484 HydrophobicContact CB-CD1 4.47Å; F482-F484 HydrophobicContact CB-CE1 4.29Å; F482-F484 WeakPolarHBondContact O-CD1 3.48Å; F482-F484 PolarHBondContact O-N 2.81Å; F482-F484 VanDerWaalsContact O-N 3.14Å; F484-V486 PolarHBondContact O-N 2.86Å
485	K	93.7	Very high	74.4	Confident	79 Å²	79	67.6 Å²	67.6	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.7	178.8	-173.4	174.1	175.2	178.6	0	110.2	E460 L461 Y462	E460-K485 IonicContact OE1-NZ 2.7Å; E460-K485 PolarHBondContact OE1-NZ 3.25Å; L461-K485 CarbonylContact O-C 3.58Å; L461-K485 WeakPolarHBondContact O-CA 3.41Å; Y462-K485 HydrophobicContact CD1-CB 4.13Å; Y462-K485 HydrophobicContact CE1-CB 3.78Å; Y462-K485 HydrophobicContact CE1-CG 4.45Å
486	V	92.9	Very high	71.9	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.018	38%	0.375	C	S	.	.			trans	-86.5	126.2	173.8	-176.7	0	0	0	0	108.7	W114 P143 L461 M463 L472 L474 F484	W114-V486 HydrophobicContact CH2-CG1 4.46Å; W114-V486 HydrophobicContact CZ2-CG1 4.33Å; P143-V486 HydrophobicContact CG-CG1 3.57Å; L461-V486 HydrophobicContact CB-CB 4.32Å; L461-V486 HydrophobicContact CD2-CB 4.01Å; L461-V486 HydrophobicContact CD2-CG1 4.24Å; L461-V486 HydrophobicContact CD2-CG2 4.15Å; L461-V486 HydrophobicContact CG-CB 4.03Å; L461-V486 HydrophobicContact CG-CG2 4.01Å; L461-V486 PolarHBondContact O-N 3.4Å; M463-V486 HydrophobicContact CB-CG2 3.88Å; M463-V486 HydrophobicContact CG-CG2 3.71Å; M463-V486 HydrophobicContact SD-CG2 3.93Å; L472-V486 WeakPolarHBondContact O-CG2 3.34Å; L474-V486 HydrophobicContact CD2-CG2 4.04Å; F484-V486 PolarHBondContact O-N 2.86Å
487	I	84.8	Confident	69.3	Low	105 Å²	105	80.3 Å²	80.3	54%	0.538	41%	0.405	S	S	.	.			trans	-97.1	108.5	178.9	-55.4	174.6	0	0	0	109.4	A489	I487-A489 HydrophobicContact CG2-CB 4.42Å; I487-A489 PolarHBondContact O-N 3.19Å
488	T	68.2	Low	66.5	Low	10 Å²	10	87.1 Å²	87.1	6%	0.061	42%	0.421	C	S	.	.			trans	-95	78.7	173.2	39.2	0	0	0	0	109.3	Y112 P143 C506	Y112-T488 HydrophobicContact CG-CG2 4.43Å; P143-T488 HydrophobicContact CB-CG2 3.91Å; P143-T488 HydrophobicContact CG-CG2 4.05Å; T488-C506 WeakPolarHBondContact CB-SG 3.19Å; T488-C506 PolarHBondContact OG1-SG 2.98Å
489	A	61.9	Low	63.6	Low	21 Å²	21	82 Å²	82	17%	0.174	42%	0.416	C	S	.	.			trans	-77.4	144.4	177.7	0	0	0	0	0	111.6	I487 L491	I487-A489 HydrophobicContact CG2-CB 4.42Å; I487-A489 PolarHBondContact O-N 3.19Å; A489-L491 PolarHBondContact O-N 2.83Å
490	N	47.5	Very low	60.8	Low	23 Å²	23	82.3 Å²	82.3	12%	0.123	42%	0.419	C	S	.	.			trans	-87.2	101.8	170	-166.3	-0.9	0	0	0	107.9	N492 V504	N490-N492 PolarHBondContact O-N 2.87Å; N490-V504 HydrophobicContact CB-CB 4.34Å; N490-V504 HydrophobicContact CB-CG2 3.56Å
491	L	43.6	Very low	58	Low	110 Å²	110	88.4 Å²	88.4	58%	0.576	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	7	-176.5	-83	163	0	0	0	114.5	A489 C493 K501	A489-L491 PolarHBondContact O-N 2.83Å; L491-C493 VanDerWaalsContact C-N 3.32Å; L491-C493 PolarHBondContact O-N 2.79Å; L491-K501 HydrophobicContact CD2-CG 4.47Å
492	N	34.8	Very low	55.1	Low	121 Å²	121	86.7 Å²	86.7	65%	0.647	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	8.4	-177.2	-76.1	-3	0	0	0	115.7	N490 V494	N490-N492 PolarHBondContact O-N 2.87Å; N492-V494 VanDerWaalsContact C-N 3.27Å; N492-V494 PolarHBondContact O-N 3.15Å
493	C	31.5	Very low	52.6	Low	67 Å²	67	85.9 Å²	85.9	45%	0.453	45%	0.447	S	S	.	.			trans	-87.9	66.8	165.7	-70.5	0	0	0	0	110.5	L491 V502	L491-C493 VanDerWaalsContact C-N 3.32Å; L491-C493 PolarHBondContact O-N 2.79Å; C493-V502 HydrophobicContact CB-CG2 4.36Å
494	V	30	Very low	50.3	Low	107 Å²	107	87.7 Å²	87.7	65%	0.648	46%	0.457	S	S	*	.			trans	-99.3	81.8	162.5	-171.6	0	0	0	0	106.7	N492	N492-V494 VanDerWaalsContact C-N 3.27Å; N492-V494 PolarHBondContact O-N 3.15Å
495	S	28.9	Very low	48.4	Very low	82 Å²	82	87.7 Å²	87.7	57%	0.573	46%	0.462	S	S	*	.			trans	-74.7	133.3	153.5	53.4	0	0	0	0	106.8	F497	S495-F497 PolarHBondContact O-N 3.05Å
496	N	38.4	Very low	47.2	Very low	150 Å²	150	84.3 Å²	84.3	80%	0.802	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	111.3	173.6	-77.9	-27.7	0	0	0	108.9
497	F	37.9	Very low	47	Very low	203 Å²	203	85.5 Å²	85.5	89%	0.89	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.7	-19.1	159.2	-85.7	-86.3	0	0	0	118	S495	S495-F497 PolarHBondContact O-N 3.05Å
498	R	33	Very low	47.3	Very low	188 Å²	188	80.7 Å²	80.7	71%	0.709	43%	0.43	S	S	*	.			trans	-153.9	126.2	169.8	-71.7	-170.8	178.2	175.3	-3.2	111.1	F500	R498-F500 HydrophobicContact CB-CD2 4.01Å; R498-F500 HydrophobicContact CB-CE2 3.48Å; R498-F500 VanDerWaalsContact CB-CE2 3.48Å; R498-F500 HydrophobicContact CB-CZ 3.85Å; R498-F500 HydrophobicContact CG-CE2 4.44Å; R498-F500 HydrophobicContact CG-CZ 4.45Å; R498-F500 WeakPolarHBondContact O-CD2 3.48Å; R498-F500 PolarHBondContact O-N 2.75Å
499	S	34.3	Very low	48.5	Very low	92 Å²	92	84.4 Å²	84.4	64%	0.643	44%	0.443	S	S	*	.			trans	-75.7	90.6	173.1	53.2	0	0	0	0	110.1
500	F	35	Very low	50.1	Low	89 Å²	89	85.1 Å²	85.1	39%	0.39	44%	0.443	S	S	.	.			trans	-79.9	120	168.5	-63.1	-82.3	0	0	0	109	R498 V502	R498-F500 HydrophobicContact CB-CD2 4.01Å; R498-F500 HydrophobicContact CB-CE2 3.48Å; R498-F500 VanDerWaalsContact CB-CE2 3.48Å; R498-F500 HydrophobicContact CB-CZ 3.85Å; R498-F500 HydrophobicContact CG-CE2 4.44Å; R498-F500 HydrophobicContact CG-CZ 4.45Å; R498-F500 WeakPolarHBondContact O-CD2 3.48Å; R498-F500 PolarHBondContact O-N 2.75Å; F500-V502 HydrophobicContact CB-CG2 4.48Å; F500-V502 PolarHBondContact O-N 3.06Å
501	K	35.5	Very low	52.5	Low	147 Å²	147	84.4 Å²	84.4	64%	0.639	44%	0.439	S	S	*	.			trans	-74.2	92.3	166.7	-78.8	-179.3	-175.4	163	0	108.5	L491 S503	L491-K501 HydrophobicContact CD2-CG 4.47Å; K501-S503 PolarHBondContact O-N 3.02Å
502	V	36.5	Very low	55.1	Low	30 Å²	30	79.6 Å²	79.6	18%	0.182	42%	0.415	C	S	.	.			trans	-77.5	104.6	169.3	-173.2	0	0	0	0	107.8	C493 F500 V504	C493-V502 HydrophobicContact CB-CG2 4.36Å; F500-V502 HydrophobicContact CB-CG2 4.48Å; F500-V502 PolarHBondContact O-N 3.06Å; V502-V504 HydrophobicContact CG1-CG2 3.91Å; V502-V504 PolarHBondContact O-N 3.31Å
503	S	43	Very low	58	Low	68 Å²	68	74.9 Å²	74.9	48%	0.476	39%	0.39	S	S	.	.			trans	-72.9	84.3	167.2	177.5	0	0	0	0	108.3	K501 N505	K501-S503 PolarHBondContact O-N 3.02Å; S503-N505 PolarHBondContact O-N 2.78Å
504	V	48.6	Very low	60.9	Low	43 Å²	43	71.8 Å²	71.8	26%	0.261	37%	0.369	S	S	.	.			trans	-68	117.8	168.2	-163.5	0	0	0	0	106.1	N490 V502 C506	N490-V504 HydrophobicContact CB-CB 4.34Å; N490-V504 HydrophobicContact CB-CG2 3.56Å; V502-V504 HydrophobicContact CG1-CG2 3.91Å; V502-V504 PolarHBondContact O-N 3.31Å; V504-C506 VanDerWaalsContact C-N 3.28Å; V504-C506 PolarHBondContact O-N 3.02Å
505	N	55.7	Low	63.8	Low	104 Å²	104	67.5 Å²	67.5	56%	0.556	34%	0.344	S	S	*	.			trans	-57	98	169.6	-91.6	-30.1	0	0	0	107.4	S503	S503-N505 PolarHBondContact O-N 2.78Å
506	C	70.1	Confident	66.8	Low	8 Å²	8	63.8 Å²	63.8	5%	0.054	32%	0.317	C	S	.	.			trans	-77.9	129.9	173.7	96.2	0	0	0	0	106.8	T488 V504 V508 C522 T524	T488-C506 WeakPolarHBondContact CB-SG 3.19Å; T488-C506 PolarHBondContact OG1-SG 2.98Å; V504-C506 VanDerWaalsContact C-N 3.28Å; V504-C506 PolarHBondContact O-N 3.02Å; C506-V508 PolarHBondContact O-N 2.93Å; C506-V508 WeakPolarHBondContact SG-CG2 3.48Å; C506-C522 HydrophobicContact CB-CB 4.1Å; C506-C522 PolarHBondContact SG-SG 2.68Å; C506-T524 HydrophobicContact CB-CG2 3.74Å
507	D	87	Confident	69.5	Low	28 Å²	28	56.6 Å²	56.6	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	96.3	176	157.9	38.8	0	0	0	107.6	R509 C522 Q523	D507-R509 VanDerWaalsContact CG-CZ 3.45Å; D507-R509 IonicContact OD1-CZ 3.56Å; D507-R509 IonicContact OD1-NE 2.71Å; D507-R509 PolarHBondContact OD1-NE 3.11Å; D507-R509 IonicContact OD1-NH1 2.91Å; D507-R509 IonicContact OD1-NH2 2.82Å; D507-R509 PolarHBondContact OD1-NH2 3.01Å; D507-R509 IonicContact OD2-CZ 3.06Å; D507-R509 IonicContact OD2-NE 3.99Å; D507-R509 PolarHBondContact OD2-NE 3.19Å; D507-R509 IonicContact OD2-NH2 3.55Å; D507-R509 PolarHBondContact OD2-NH2 2.88Å; D507-C522 CarbonylContact O-C 3.6Å; D507-C522 WeakPolarHBondContact O-CA 3.18Å; D507-Q523 WeakPolarHBondContact CB-O 3.11Å; D507-Q523 PolarHBondContact N-O 2.76Å; D507-Q523 PolarHBondContact O-N 3.46Å
508	V	92.7	Very high	72.3	Confident	4 Å²	4	47 Å²	47	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.8	-177.4	-174.5	0	0	0	0	109	I455 G459 L461 C506 V511 A520	I455-V508 HydrophobicContact CD1-CB 4.21Å; I455-V508 HydrophobicContact CD1-CG1 3.73Å; I455-V508 HydrophobicContact CG1-CB 4.4Å; I455-V508 HydrophobicContact CG1-CG1 4.15Å; I455-V508 HydrophobicContact CG2-CB 4.46Å; I455-V508 WeakPolarHBondContact CG2-O 3.42Å; G459-V508 PolarHBondContact O-N 3.02Å; L461-V508 HydrophobicContact CB-CB 4.48Å; L461-V508 HydrophobicContact CB-CG2 3.95Å; C506-V508 PolarHBondContact O-N 2.93Å; C506-V508 WeakPolarHBondContact SG-CG2 3.48Å; V508-V511 HydrophobicContact CG1-CG2 3.89Å; V508-A520 HydrophobicContact CG1-CB 4.2Å
509	R	93.1	Very high	75.4	Confident	88 Å²	88	38 Å²	38	33%	0.332	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-26.4	-175	-63.3	-54.4	-167.4	166.7	-5.9	114.1	D507 R521 Q523	D507-R509 VanDerWaalsContact CG-CZ 3.45Å; D507-R509 IonicContact OD1-CZ 3.56Å; D507-R509 IonicContact OD1-NE 2.71Å; D507-R509 PolarHBondContact OD1-NE 3.11Å; D507-R509 IonicContact OD1-NH1 2.91Å; D507-R509 IonicContact OD1-NH2 2.82Å; D507-R509 PolarHBondContact OD1-NH2 3.01Å; D507-R509 IonicContact OD2-CZ 3.06Å; D507-R509 IonicContact OD2-NE 3.99Å; D507-R509 PolarHBondContact OD2-NE 3.19Å; D507-R509 IonicContact OD2-NH2 3.55Å; D507-R509 PolarHBondContact OD2-NH2 2.88Å; R509-R521 PolarHBondContact N-O 3.35Å; R509-Q523 HydrophobicContact CG-CB 4.15Å
510	Q	95.7	Very high	78.3	Confident	36 Å²	36	33.6 Å²	33.6	17%	0.168	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	143.3	179.8	-174.9	179.6	9.3	0	0	109.1	S156 I157 A520 R521	S156-Q510 PolarHBondContact OG-NE2 3.04Å; I157-Q510 HydrophobicContact CD1-CB 4.45Å; I157-Q510 HydrophobicContact CD1-CG 4.16Å; I157-Q510 HydrophobicContact CG1-CB 4.49Å; I157-Q510 HydrophobicContact CG1-CG 3.82Å; Q510-A520 WeakPolarHBondContact O-CA 3.47Å; Q510-R521 HydrophobicContact CB-CB 4.18Å; Q510-R521 PolarHBondContact N-O 2.75Å; Q510-R521 PolarHBondContact O-N 3.01Å
511	V	97.2	Very high	81.1	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.5	171.9	-178.3	0	0	0	0	107.8	F446 A453 I455 L461 V508 I513 T518 L519 A520	F446-V511 HydrophobicContact CD1-CB 4.47Å; F446-V511 VanDerWaalsContact CD1-O 3.31Å; F446-V511 WeakPolarHBondContact CD1-O 3.16Å; F446-V511 HydrophobicContact CD2-CB 4.03Å; F446-V511 HydrophobicContact CD2-CG2 4.4Å; F446-V511 HydrophobicContact CE2-CB 4.27Å; F446-V511 HydrophobicContact CE2-CG2 4.38Å; F446-V511 HydrophobicContact CG-CB 4.14Å; A453-V511 HydrophobicContact CB-CG1 4.15Å; I455-V511 HydrophobicContact CD1-CG2 4.2Å; I455-V511 HydrophobicContact CG1-CG2 4.44Å; L461-V511 HydrophobicContact CD1-CG2 3.77Å; L461-V511 HydrophobicContact CD2-CG2 4.33Å; V508-V511 HydrophobicContact CG1-CG2 3.89Å; V511-I513 HydrophobicContact CG1-CD1 4.18Å; V511-I513 HydrophobicContact CG1-CG1 3.64Å; V511-T518 HydrophobicContact CG1-CG2 3.61Å; V511-L519 CarbonylContact C-O 3.5Å; V511-L519 VanDerWaalsContact CA-O 3.29Å; V511-L519 WeakPolarHBondContact CA-O 3.19Å; V511-A520 HydrophobicContact CG2-CB 4.47Å
512	A	97.7	Very high	83.8	Confident	9 Å²	9	24.8 Å²	24.8	7%	0.074	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.5	165.4	0	0	0	0	0	108.1	I157 C159 T518 L519	I157-A512 HydrophobicContact CB-CB 4.2Å; I157-A512 HydrophobicContact CD1-CB 3.94Å; I157-A512 HydrophobicContact CG1-CB 3.82Å; C159-A512 HydrophobicContact CB-CB 4.36Å; C159-A512 VanDerWaalsContact SG-C 3.58Å; C159-A512 VanDerWaalsContact SG-CB 3.57Å; C159-A512 PolarHBondContact SG-O 2.62Å; C159-A512 VanDerWaalsContact SG-O 3.39Å; A512-T518 WeakPolarHBondContact O-CA 3.29Å; A512-L519 HydrophobicContact CB-CB 4.43Å; A512-L519 PolarHBondContact N-O 3.36Å; A512-L519 PolarHBondContact O-N 3.23Å
513	I	96.4	Very high	86.1	Confident	22 Å²	22	25.7 Å²	25.7	11%	0.113	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.3	-169.5	-53	-176	0	0	0	108.2	F446 H451 A453 M463 V511 T518	F446-I513 HydrophobicContact CB-CD1 3.73Å; F446-I513 HydrophobicContact CB-CG1 4.38Å; H451-I513 WeakPolarHBondContact CD2-CG2 3.18Å; H451-I513 VanDerWaalsContact CE1-CG2 3.46Å; H451-I513 WeakPolarHBondContact CE1-CG2 3.44Å; H451-I513 WeakPolarHBondContact NE2-CG2 3.38Å; A453-I513 HydrophobicContact CB-CD1 3.69Å; M463-I513 HydrophobicContact CE-CD1 4.45Å; V511-I513 HydrophobicContact CG1-CD1 4.18Å; V511-I513 HydrophobicContact CG1-CG1 3.64Å; I513-T518 HydrophobicContact CG1-CG2 4.48Å
514	G	92.7	Very high	87.6	Confident	2 Å²	2	22.6 Å²	22.6	2%	0.021	11%	0.113	C	C	.	.			trans	-85.5	-177.6	171.8	0	0	0	0	0	111.7	C159 H451 C516 H517	C159-G514 VanDerWaalsContact CB-N 3.27Å; H451-G514 PolarHBondContact CE1-O 3.1Å; G514-C516 VanDerWaalsContact C-N 3.32Å; G514-C516 PolarHBondContact O-N 3.09Å; G514-H517 WeakPolarHBondContact CA-O 3.37Å; G514-H517 PolarHBondContact N-O 3.38Å
515	P	90	Very high	88.1	Confident	18 Å²	18	27.3 Å²	27.3	12%	0.117	13%	0.126	C	C	.	.	S	Bend	trans	-62.6	-37.6	172.3	-20.3	30.1	0	0	0	113.4	G160 V161 L449	G160-P515 WeakPolarHBondContact O-CD 3.45Å; V161-P515 HydrophobicContact CB-CG 4.23Å; V161-P515 HydrophobicContact CG1-CG 4.4Å; V161-P515 HydrophobicContact CG2-CG 3.66Å; L449-P515 HydrophobicContact CD1-CB 3.82Å; L449-P515 HydrophobicContact CD1-CG 3.94Å
516	C	91.9	Very high	88	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.02	12%	0.122	C	C	.	.	S	Bend	trans	-127.9	-6.3	-167.7	-60.8	0	0	0	0	113.9	Y116 F469 N471 G514	Y116-C516 PolarHBondContact N-O 3.05Å; F469-C516 HydrophobicContact CD2-CB 3.69Å; F469-C516 HydrophobicContact CE2-CB 4.16Å; F469-C516 VanDerWaalsContact CE2-SG 3.52Å; N471-C516 WeakPolarHBondContact CB-O 3.14Å; G514-C516 VanDerWaalsContact C-N 3.32Å; G514-C516 PolarHBondContact O-N 3.09Å
517	H	94.7	Very high	88.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.8	179.8	72.7	-58.2	0	0	0	111.5	W114 E121 L122 G160 Y163 S164 G514	W114-H517 CarbonylContact O-C 3.47Å; W114-H517 VanDerWaalsContact O-CA 3.3Å; W114-H517 WeakPolarHBondContact O-CA 3.09Å; W114-H517 WeakPolarHBondContact O-CB 3.27Å; E121-H517 HydrophobicContact CG-CB 4.11Å; E121-H517 IonicContact OE2-CE1 3.74Å; E121-H517 PolarHBondContact OE2-CE1 3.46Å; E121-H517 IonicContact OE2-CG 3.27Å; E121-H517 IonicContact OE2-ND1 3.04Å; E121-H517 PolarHBondContact OE2-ND1 3.25Å; E121-H517 VanDerWaalsContact OE2-ND1 3.14Å; E121-H517 IonicContact OE2-NE2 3.42Å; L122-H517 HydrophobicContact CD2-CB 4.3Å; G160-H517 PolarHBondContact O-CE1 2.8Å; Y163-H517 PolarHBondContact O-CE1 3.16Å; Y163-H517 PolarHBondContact O-NE2 3.37Å; S164-H517 PolarHBondContact OG-CD2 3.07Å; S164-H517 PolarHBondContact OG-NE2 3.15Å; G514-H517 WeakPolarHBondContact CA-O 3.37Å; G514-H517 PolarHBondContact N-O 3.38Å
518	T	97.6	Very high	89	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.6	177.8	-67.9	0	0	0	0	109.6	G113 W114 M463 N471 V511 A512 I513	G113-T518 CarbonylContact C-O 3.59Å; G113-T518 VanDerWaalsContact CA-O 3.27Å; G113-T518 WeakPolarHBondContact CA-O 3.29Å; W114-T518 HydrophobicContact CH2-CG2 4Å; W114-T518 HydrophobicContact CZ2-CG2 3.35Å; W114-T518 PolarHBondContact N-O 3.21Å; W114-T518 PolarHBondContact O-N 2.78Å; M463-T518 HydrophobicContact CE-CG2 3.83Å; M463-T518 HydrophobicContact SD-CG2 4.21Å; N471-T518 PolarHBondContact O-OG1 2.91Å; N471-T518 VanDerWaalsContact O-OG1 3.07Å; V511-T518 HydrophobicContact CG1-CG2 3.61Å; A512-T518 WeakPolarHBondContact O-CA 3.29Å; I513-T518 HydrophobicContact CG1-CG2 4.48Å
519	L	97.5	Very high	88.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.1	174.1	-62.2	177.2	0	0	0	109.9	Y112 L122 I146 I157 F166 V511 A512	Y112-L519 CarbonylContact O-C 3.48Å; Y112-L519 WeakPolarHBondContact O-CA 3.5Å; L122-L519 HydrophobicContact CD2-CD2 4.35Å; I146-L519 HydrophobicContact CD1-CD2 3.42Å; I146-L519 VanDerWaalsContact CD1-CD2 3.42Å; I157-L519 HydrophobicContact CB-CD1 4.44Å; I157-L519 HydrophobicContact CD1-CB 3.89Å; I157-L519 WeakPolarHBondContact CD1-O 3.44Å; F166-L519 HydrophobicContact CD1-CD1 4.24Å; F166-L519 HydrophobicContact CE1-CD1 3.5Å; F166-L519 HydrophobicContact CE1-CD2 4.34Å; F166-L519 HydrophobicContact CZ-CD1 4.29Å; V511-L519 CarbonylContact C-O 3.5Å; V511-L519 VanDerWaalsContact CA-O 3.29Å; V511-L519 WeakPolarHBondContact CA-O 3.19Å; A512-L519 HydrophobicContact CB-CB 4.43Å; A512-L519 PolarHBondContact N-O 3.36Å; A512-L519 PolarHBondContact O-N 3.23Å
520	A	96	Very high	88.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.6	173.2	0	0	0	0	0	111.5	Y112 W114 V508 Q510 V511	Y112-A520 PolarHBondContact N-O 3.24Å; Y112-A520 PolarHBondContact O-N 3.44Å; W114-A520 HydrophobicContact CH2-CB 3.57Å; W114-A520 HydrophobicContact CZ3-CB 3.75Å; V508-A520 HydrophobicContact CG1-CB 4.2Å; Q510-A520 WeakPolarHBondContact O-CA 3.47Å; V511-A520 HydrophobicContact CG2-CB 4.47Å
521	R	94.5	Very high	88.1	Confident	51 Å²	51	24.8 Å²	24.8	19%	0.192	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.4	171.5	-172.3	-179.4	69.7	84.2	0.7	108.8	V109 V154 I157 R509 Q510	V109-R521 HydrophobicContact CG1-CG 3.89Å; V154-R521 WeakPolarHBondContact O-CD 3.47Å; I157-R521 HydrophobicContact CD1-CB 4.18Å; R509-R521 PolarHBondContact N-O 3.35Å; Q510-R521 HydrophobicContact CB-CB 4.18Å; Q510-R521 PolarHBondContact N-O 2.75Å; Q510-R521 PolarHBondContact O-N 3.01Å
522	C	91.5	Very high	87.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.2	-173.7	-51.6	0	0	0	0	110.5	V109 R110 Y112 C506 D507 T524	V109-C522 WeakPolarHBondContact CA-O 3.21Å; R110-C522 PolarHBondContact N-O 3.5Å; R110-C522 PolarHBondContact O-N 3.04Å; Y112-C522 HydrophobicContact CD2-CB 4.19Å; Y112-C522 VanDerWaalsContact CD2-SG 3.56Å; Y112-C522 HydrophobicContact CE2-CB 4.07Å; C506-C522 HydrophobicContact CB-CB 4.1Å; C506-C522 PolarHBondContact SG-SG 2.68Å; D507-C522 CarbonylContact O-C 3.6Å; D507-C522 WeakPolarHBondContact O-CA 3.18Å; C522-T524 HydrophobicContact CB-CG2 4.41Å
523	Q	85.9	Confident	86.7	Confident	48 Å²	48	27.1 Å²	27.1	22%	0.224	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111	166.6	-169.4	168.2	33.7	0	0	107.7	R107 D507 R509	R107-Q523 HydrophobicContact CB-CG 3.93Å; R107-Q523 VanDerWaalsContact CD-CD 3.44Å; R107-Q523 HydrophobicContact CG-CG 4.32Å; D507-Q523 WeakPolarHBondContact CB-O 3.11Å; D507-Q523 PolarHBondContact N-O 2.76Å; D507-Q523 PolarHBondContact O-N 3.46Å; R509-Q523 HydrophobicContact CG-CB 4.15Å
524	T	72.9	Confident	86	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.7	-179.7	57.7	0	0	0	0	110.3	K108 R110 C506 C522	K108-T524 PolarHBondContact N-O 3.15Å; K108-T524 PolarHBondContact O-N 3.45Å; K108-T524 PolarHBondContact O-OG1 3.41Å; R110-T524 HydrophobicContact CB-CG2 4.46Å; R110-T524 HydrophobicContact CG-CG2 4.09Å; R110-T524 WeakPolarHBondContact CG-OG1 3.31Å; C506-T524 HydrophobicContact CB-CG2 3.74Å; C522-T524 HydrophobicContact CB-CG2 4.41Å
525	W	60.5	Low	85.4	Confident	143 Å²	143	29.7 Å²	29.7	54%	0.542	13%	0.132	S	C	.	.			trans	-76.1	129.2	161.8	-53.1	96.2	0	0	0	107.7	R107	R107-W525 HydrophobicContact CG-CD2 3.94Å; R107-W525 HydrophobicContact CG-CE3 3.52Å; R107-W525 HydrophobicContact CG-CH2 3.95Å; R107-W525 HydrophobicContact CG-CZ2 4.28Å; R107-W525 HydrophobicContact CG-CZ3 3.5Å; R107-W525 VanDerWaalsContact CZ-CZ2 3.49Å
526	L	52.1	Low	85	Confident	90 Å²	90	30.7 Å²	30.7	47%	0.471	13%	0.133	S	C	.	.			trans	-114.7	0	170.8	-76.9	175.8	0	0	0	108.2	H105 K108	H105-L526 WeakPolarHBondContact CA-O 3.27Å; H105-L526 WeakPolarHBondContact CB-O 3.15Å; H105-L526 PolarHBondContact CE1-OXT 2.81Å; H105-L526 PolarHBondContact ND1-O 3.38Å; H105-L526 PolarHBondContact ND1-OXT 2.9Å; K108-L526 HydrophobicContact CB-CD1 3.7Å; K108-L526 HydrophobicContact CB-CG 4.29Å; K108-L526 HydrophobicContact CD-CD1 3.55Å; K108-L526 HydrophobicContact CG-CD1 4.22Å

Retrieved 526 of 526 residues in 380.2 ms (Link to these results)

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