A0A077ZFW3_TRITR Loading...

Calreticulin

AlphaFold DB , UniProt , Accession A0A077ZFW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 438 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	47	Very low	51.2	Low	218 Å²	218	112.3 Å²	112.3	100%	1.074	63%	0.628	S	S	*	*				0	-45.1	0	-79.3	-167.7	-111.2	0	0	113.1	S3 W4 C5	M1-S3 PolarHBondContact O-N 3.26Å; M1-W4 PolarHBondContact O-N 3.29Å; M1-C5 PolarHBondContact O-N 3.13Å
2	A	46.4	Very low	52.6	Low	87 Å²	87	107.1 Å²	107.1	72%	0.719	61%	0.61	S	S	*	*	H	α-helix	trans	-59.9	-39.5	-178.2	0	0	0	0	0	115.3	W4 C5 A6	A2-W4 VanDerWaalsContact C-N 3.33Å; A2-W4 PolarHBondContact O-N 3.12Å; A2-C5 PolarHBondContact O-N 3.34Å; A2-A6 PolarHBondContact O-N 2.99Å
3	S	46.2	Very low	53.5	Low	80 Å²	80	103.2 Å²	103.2	56%	0.559	60%	0.599	S	S	*	*	H	α-helix	trans	-64.5	-33.2	179.6	169.5	0	0	0	0	113.5	M1 L7	M1-S3 PolarHBondContact O-N 3.26Å; S3-L7 PolarHBondContact O-N 3.17Å
4	W	43.4	Very low	54.1	Low	220 Å²	220	104.5 Å²	104.5	83%	0.833	60%	0.597	S	S	*	*	H	α-helix	trans	-75.4	-32.2	179	-75.8	60.5	0	0	0	112.5	M1 A2 S8	M1-W4 PolarHBondContact O-N 3.29Å; A2-W4 VanDerWaalsContact C-N 3.33Å; A2-W4 PolarHBondContact O-N 3.12Å; W4-S8 PolarHBondContact O-N 3.49Å
5	C	46.1	Very low	54.7	Low	80 Å²	80	110 Å²	110	54%	0.541	60%	0.604	S	S	.	*	H	α-helix	trans	-67.3	-41.2	173.4	-84.4	0	0	0	0	112.1	M1 A2 S8 L9	M1-C5 PolarHBondContact O-N 3.13Å; A2-C5 PolarHBondContact O-N 3.34Å; C5-S8 PolarHBondContact O-N 3.14Å; C5-S8 PolarHBondContact O-OG 3.06Å; C5-L9 WeakPolarHBondContact O-CG 3.19Å; C5-L9 PolarHBondContact O-N 3.3Å; C5-L9 VanDerWaalsContact O-N 3.11Å
6	A	44	Very low	54.8	Low	60 Å²	60	110.1 Å²	110.1	50%	0.496	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-45.9	-178	0	0	0	0	0	112.4	A2 S8 L9 T10	A2-A6 PolarHBondContact O-N 2.99Å; A6-S8 VanDerWaalsContact C-N 3.33Å; A6-S8 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 3.47Å; A6-T10 PolarHBondContact O-N 3.25Å; A6-T10 VanDerWaalsContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 3.33Å; A6-T10 VanDerWaalsContact O-OG1 3.07Å
7	L	45.5	Very low	54.6	Low	110 Å²	110	112 Å²	112	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-61.8	-38.2	175.4	-91.8	137.8	0	0	0	112.7	S3 L9 T10 E11	S3-L7 PolarHBondContact O-N 3.17Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.95Å; L7-T10 WeakPolarHBondContact CA-OG1 3.18Å; L7-T10 PolarHBondContact O-OG1 2.85Å; L7-E11 PolarHBondContact O-N 2.88Å; L7-E11 VanDerWaalsContact O-N 3.12Å
8	S	54.5	Low	54.4	Low	64 Å²	64	114.3 Å²	114.3	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-68.2	-32.8	178	80.2	0	0	0	0	112.9	W4 C5 A6 A12	W4-S8 PolarHBondContact O-N 3.49Å; C5-S8 PolarHBondContact O-N 3.14Å; C5-S8 PolarHBondContact O-OG 3.06Å; A6-S8 VanDerWaalsContact C-N 3.33Å; A6-S8 PolarHBondContact O-N 3.44Å; S8-A12 VanDerWaalsContact O-CB 3.27Å; S8-A12 WeakPolarHBondContact O-CB 3.36Å; S8-A12 PolarHBondContact O-N 3.37Å
9	L	52.5	Low	54	Low	120 Å²	120	115.2 Å²	115.2	63%	0.628	61%	0.608	S	S	*	*	H	α-helix	trans	-73.6	-38.8	179.1	-78.3	164.2	0	0	0	111.6	C5 A6 L7 A12 A13	C5-L9 WeakPolarHBondContact O-CG 3.19Å; C5-L9 PolarHBondContact O-N 3.3Å; C5-L9 VanDerWaalsContact O-N 3.11Å; A6-L9 PolarHBondContact O-N 3.47Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.95Å; L9-A12 PolarHBondContact O-N 3.38Å; L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 3.02Å
10	T	69.2	Low	53.7	Low	81 Å²	81	114.2 Å²	114.2	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-67.4	-43.3	174.8	34.1	0	0	0	0	112.1	A6 L7 A12 A13 Q14	A6-T10 PolarHBondContact O-N 3.25Å; A6-T10 VanDerWaalsContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 3.33Å; A6-T10 VanDerWaalsContact O-OG1 3.07Å; L7-T10 WeakPolarHBondContact CA-OG1 3.18Å; L7-T10 PolarHBondContact O-OG1 2.85Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.37Å; T10-A13 PolarHBondContact O-N 3.48Å; T10-Q14 WeakPolarHBondContact O-CB 3.28Å; T10-Q14 WeakPolarHBondContact O-CG 3.44Å; T10-Q14 PolarHBondContact O-N 2.92Å
11	E	68.3	Low	53.2	Low	115 Å²	115	114.5 Å²	114.5	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-63.2	-40.2	174.5	-82.3	-168.1	143.8	0	0	112.3	L7 Q14 R15	L7-E11 PolarHBondContact O-N 2.88Å; L7-E11 VanDerWaalsContact O-N 3.12Å; E11-Q14 PolarHBondContact O-N 3.23Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.36Å; E11-R15 PolarHBondContact O-N 2.83Å
12	A	68.5	Low	53.3	Low	50 Å²	50	107.6 Å²	107.6	41%	0.413	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-42.8	176.4	0	0	0	0	0	111.7	S8 L9 T10 R15 L16	S8-A12 VanDerWaalsContact O-CB 3.27Å; S8-A12 WeakPolarHBondContact O-CB 3.36Å; S8-A12 PolarHBondContact O-N 3.37Å; L9-A12 PolarHBondContact O-N 3.38Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.37Å; A12-R15 PolarHBondContact O-N 3.45Å; A12-L16 WeakPolarHBondContact O-CB 3.4Å; A12-L16 PolarHBondContact O-N 2.93Å
13	A	64.2	Low	53.2	Low	57 Å²	57	108 Å²	108	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-44.8	176.5	0	0	0	0	0	112	L9 T10 R15 L16 Q17	L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 3.02Å; T10-A13 PolarHBondContact O-N 3.48Å; A13-R15 PolarHBondContact O-N 3.48Å; A13-L16 PolarHBondContact O-N 3.42Å; A13-Q17 PolarHBondContact O-N 2.82Å
14	Q	61.3	Low	53	Low	121 Å²	121	109.8 Å²	109.8	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-39.7	175.6	-76.3	-179.4	-11.8	0	0	112.1	T10 E11 Q17 K18	T10-Q14 WeakPolarHBondContact O-CB 3.28Å; T10-Q14 WeakPolarHBondContact O-CG 3.44Å; T10-Q14 PolarHBondContact O-N 2.92Å; E11-Q14 PolarHBondContact O-N 3.23Å; Q14-Q17 PolarHBondContact O-N 2.69Å; Q14-K18 WeakPolarHBondContact O-CB 3.3Å; Q14-K18 PolarHBondContact O-N 2.88Å
15	R	62.9	Low	53	Low	187 Å²	187	102.3 Å²	102.3	71%	0.706	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-39.2	173.7	-79.3	-178.4	175.9	-166.9	1.6	112	E11 A12 A13 K18 F19	E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.36Å; E11-R15 PolarHBondContact O-N 2.83Å; A12-R15 PolarHBondContact O-N 3.45Å; A13-R15 PolarHBondContact O-N 3.48Å; R15-K18 PolarHBondContact O-N 3.38Å; R15-F19 VanDerWaalsContact O-CB 3.27Å; R15-F19 WeakPolarHBondContact O-CB 3.35Å; R15-F19 PolarHBondContact O-N 2.89Å
16	L	56.3	Low	52.9	Low	111 Å²	111	106.2 Å²	106.2	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-65.6	-43	177	-131.7	103.1	0	0	0	111.2	A12 A13 F19 Q20	A12-L16 WeakPolarHBondContact O-CB 3.4Å; A12-L16 PolarHBondContact O-N 2.93Å; A13-L16 PolarHBondContact O-N 3.42Å; L16-F19 PolarHBondContact O-N 3.15Å; L16-Q20 WeakPolarHBondContact O-CB 3.47Å; L16-Q20 WeakPolarHBondContact O-CG 3.35Å; L16-Q20 PolarHBondContact O-N 2.75Å
17	Q	51.4	Low	52.9	Low	143 Å²	143	111.1 Å²	111.1	67%	0.668	55%	0.547	S	S	*	.	H	α-helix	trans	-62.8	-46.4	174.9	-77.4	-163	-36.7	0	0	111.6	A13 Q14 F19 Q20 F21	A13-Q17 PolarHBondContact O-N 2.82Å; Q14-Q17 PolarHBondContact O-N 2.69Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.49Å; Q17-Q20 PolarHBondContact O-N 3.14Å; Q17-F21 VanDerWaalsContact O-CB 3.29Å; Q17-F21 WeakPolarHBondContact O-CB 3.45Å; Q17-F21 PolarHBondContact O-N 2.97Å
18	K	51	Low	52.4	Low	154 Å²	154	109.3 Å²	109.3	67%	0.67	56%	0.555	S	S	*	*	H	α-helix	trans	-60.8	-40.8	174.5	-80	-178.7	177.2	175.8	0	112.1	Q14 R15 F21 V22	Q14-K18 WeakPolarHBondContact O-CB 3.3Å; Q14-K18 PolarHBondContact O-N 2.88Å; R15-K18 PolarHBondContact O-N 3.38Å; K18-F21 WeakPolarHBondContact O-CB 3.29Å; K18-F21 PolarHBondContact O-N 3.04Å; K18-V22 VanDerWaalsContact O-CG2 3.3Å; K18-V22 WeakPolarHBondContact O-CG2 3.4Å; K18-V22 PolarHBondContact O-N 2.56Å
19	F	46.9	Very low	51.4	Low	131 Å²	131	113.1 Å²	113.1	58%	0.575	56%	0.561	S	S	*	*	H	α-helix	trans	-69.1	-41.4	179.4	-165.1	-94.7	0	0	0	112	R15 L16 Q17 F21 V22 Q23	R15-F19 VanDerWaalsContact O-CB 3.27Å; R15-F19 WeakPolarHBondContact O-CB 3.35Å; R15-F19 PolarHBondContact O-N 2.89Å; L16-F19 PolarHBondContact O-N 3.15Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.49Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.6Å; F19-V22 PolarHBondContact O-N 3.28Å; F19-Q23 HydrophobicContact CD1-CG 3.91Å; F19-Q23 HydrophobicContact CE1-CG 3.62Å; F19-Q23 HydrophobicContact CZ-CG 4.08Å; F19-Q23 WeakPolarHBondContact O-CB 3.39Å; F19-Q23 VanDerWaalsContact O-CG 3.28Å; F19-Q23 WeakPolarHBondContact O-CG 3.37Å; F19-Q23 PolarHBondContact O-N 2.8Å
20	Q	48.2	Very low	50.8	Low	94 Å²	94	112.7 Å²	112.7	44%	0.439	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-38.6	173.2	-75.3	-176.2	-23.4	0	0	111.6	L16 Q17 R24	L16-Q20 WeakPolarHBondContact O-CB 3.47Å; L16-Q20 WeakPolarHBondContact O-CG 3.35Å; L16-Q20 PolarHBondContact O-N 2.75Å; Q17-Q20 PolarHBondContact O-N 3.14Å; Q20-R24 WeakPolarHBondContact O-CB 3.48Å; Q20-R24 WeakPolarHBondContact O-CG 3.3Å; Q20-R24 PolarHBondContact O-N 3.38Å
21	F	44.3	Very low	49.4	Very low	122 Å²	122	112 Å²	112	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-48.7	175.5	-171.8	-98.2	0	0	0	112	Q17 K18 F19 R24 S25 V31	Q17-F21 VanDerWaalsContact O-CB 3.29Å; Q17-F21 WeakPolarHBondContact O-CB 3.45Å; Q17-F21 PolarHBondContact O-N 2.97Å; K18-F21 WeakPolarHBondContact O-CB 3.29Å; K18-F21 PolarHBondContact O-N 3.04Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.6Å; F21-R24 PolarHBondContact O-N 3.11Å; F21-S25 PolarHBondContact O-N 3.43Å; F21-V31 HydrophobicContact CE2-CG1 3.85Å; F21-V31 HydrophobicContact CZ-CG1 4.35Å
22	V	47.7	Very low	48.2	Very low	72 Å²	72	112.3 Å²	112.3	44%	0.436	56%	0.556	S	S	.	*	H	α-helix	trans	-68.1	-36.3	-179.6	172.4	0	0	0	0	112.9	K18 F19 R24 S25	K18-V22 VanDerWaalsContact O-CG2 3.3Å; K18-V22 WeakPolarHBondContact O-CG2 3.4Å; K18-V22 PolarHBondContact O-N 2.56Å; F19-V22 PolarHBondContact O-N 3.28Å; V22-R24 VanDerWaalsContact C-N 3.31Å; V22-S25 PolarHBondContact O-OG 2.62Å
23	Q	44.1	Very low	46.9	Very low	95 Å²	95	117.2 Å²	117.2	44%	0.444	57%	0.57	S	S	.	*	H	α-helix	trans	-70.7	-29.2	177.1	-70.9	-66.9	-37.6	0	0	112.3	F19	F19-Q23 HydrophobicContact CD1-CG 3.91Å; F19-Q23 HydrophobicContact CE1-CG 3.62Å; F19-Q23 HydrophobicContact CZ-CG 4.08Å; F19-Q23 WeakPolarHBondContact O-CB 3.39Å; F19-Q23 VanDerWaalsContact O-CG 3.28Å; F19-Q23 WeakPolarHBondContact O-CG 3.37Å; F19-Q23 PolarHBondContact O-N 2.8Å
24	R	43	Very low	45.8	Very low	119 Å²	119	121.2 Å²	121.2	45%	0.449	57%	0.574	S	S	.	*	H	α-helix	trans	-85.1	-36.1	-177.5	-70.8	177.6	-175.1	-154.4	5.1	112.9	Q20 F21 V22 K26 K27 W34	Q20-R24 WeakPolarHBondContact O-CB 3.48Å; Q20-R24 WeakPolarHBondContact O-CG 3.3Å; Q20-R24 PolarHBondContact O-N 3.38Å; F21-R24 PolarHBondContact O-N 3.11Å; V22-R24 VanDerWaalsContact C-N 3.31Å; R24-K26 VanDerWaalsContact C-N 3.26Å; R24-K26 PolarHBondContact O-N 2.84Å; R24-K27 PolarHBondContact O-N 2.94Å; R24-K27 VanDerWaalsContact O-N 3.12Å; R24-W34 VanDerWaalsContact NH1-CZ3 3.31Å
25	S	42.5	Very low	45.5	Very low	62 Å²	62	123.7 Å²	123.7	43%	0.434	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-32.8	173.5	68.9	0	0	0	0	112.7	F21 V22 K27 G28	F21-S25 PolarHBondContact O-N 3.43Å; V22-S25 PolarHBondContact O-OG 2.62Å; S25-K27 PolarHBondContact O-N 3.33Å; S25-K27 VanDerWaalsContact O-N 3.13Å; S25-G28 PolarHBondContact O-N 3.48Å; S25-G28 VanDerWaalsContact O-N 3.14Å
26	K	44.4	Very low	45.1	Very low	162 Å²	162	116 Å²	116	70%	0.704	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-16.5	175.3	-78.8	-173.4	177.1	-175.8	0	114.7	R24	R24-K26 VanDerWaalsContact C-N 3.26Å; R24-K26 PolarHBondContact O-N 2.84Å
27	K	45	Very low	45.4	Very low	163 Å²	163	118.4 Å²	118.4	71%	0.709	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	8.7	176.9	-76.7	-168.9	173.9	-175.7	0	114.1	R24 S25 Y29	R24-K27 PolarHBondContact O-N 2.94Å; R24-K27 VanDerWaalsContact O-N 3.12Å; S25-K27 PolarHBondContact O-N 3.33Å; S25-K27 VanDerWaalsContact O-N 3.13Å; K27-Y29 HydrophobicContact CB-CD2 3.8Å; K27-Y29 HydrophobicContact CB-CE2 4.11Å; K27-Y29 WeakPolarHBondContact O-CD2 3.27Å; K27-Y29 PolarHBondContact O-N 3.04Å
28	G	34.5	Very low	46.4	Very low	73 Å²	73	113.7 Å²	113.7	75%	0.753	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	23.2	172	0	0	0	0	0	114.3	S25	S25-G28 PolarHBondContact O-N 3.48Å; S25-G28 VanDerWaalsContact O-N 3.14Å
29	Y	33.7	Very low	47.4	Very low	144 Å²	144	108.4 Å²	108.4	57%	0.565	52%	0.519	S	S	*	.			trans	-92	131.6	173	-74.5	-89	0	0	0	109.4	K27 V31	K27-Y29 HydrophobicContact CB-CD2 3.8Å; K27-Y29 HydrophobicContact CB-CE2 4.11Å; K27-Y29 WeakPolarHBondContact O-CD2 3.27Å; K27-Y29 PolarHBondContact O-N 3.04Å; Y29-V31 PolarHBondContact O-N 3.46Å
30	D	40.2	Very low	48.9	Very low	110 Å²	110	102.5 Å²	102.5	59%	0.588	49%	0.494	S	S	*	.			trans	-58.7	130.4	-178.8	-149.5	-22.2	0	0	0	110.6	E32	D30-E32 VanDerWaalsContact C-N 3.26Å; D30-E32 PolarHBondContact O-N 2.91Å
31	V	38.4	Very low	50.2	Low	67 Å²	67	101.2 Å²	101.2	41%	0.406	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-71.6	-25.4	-168.7	-179.7	0	0	0	0	111.3	F21 Y29	F21-V31 HydrophobicContact CE2-CG1 3.85Å; F21-V31 HydrophobicContact CZ-CG1 4.35Å; Y29-V31 PolarHBondContact O-N 3.46Å
32	E	44	Very low	51.4	Low	121 Å²	121	95.6 Å²	95.6	57%	0.565	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-67.3	-32.5	-179.6	-88.9	155.8	178.8	0	0	113.4	D30 W34	D30-E32 VanDerWaalsContact C-N 3.26Å; D30-E32 PolarHBondContact O-N 2.91Å; E32-W34 VanDerWaalsContact C-N 3.25Å; E32-W34 PolarHBondContact O-N 3.5Å
33	E	41.3	Very low	52.2	Low	153 Å²	153	94.4 Å²	94.4	72%	0.715	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-74.4	-13.3	-175.1	-149.2	176.4	-163.2	0	0	113.3
34	W	41.5	Very low	52.8	Low	142 Å²	142	98.3 Å²	98.3	54%	0.538	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-89.1	-22.5	-176.8	-70.8	89.3	0	0	0	114.9	R24 E32	R24-W34 VanDerWaalsContact NH1-CZ3 3.31Å; E32-W34 VanDerWaalsContact C-N 3.25Å; E32-W34 PolarHBondContact O-N 3.5Å
35	R	55.1	Low	53.8	Low	173 Å²	173	93 Å²	93	65%	0.653	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-38.9	-179.1	-70.4	-172.7	173.8	-178.1	-0.4	111.5	K37 D354	R35-K37 PolarHBondContact O-N 3.38Å; R35-D354 WeakPolarHBondContact CB-OD2 3.35Å
36	V	54	Low	54.8	Low	24 Å²	24	94.5 Å²	94.5	15%	0.145	45%	0.45	C	S	.	.			trans	-84.1	108.4	-178.4	-174.2	0	0	0	0	109.2	F38 A39 D354 Y357	V36-F38 VanDerWaalsContact C-N 3.25Å; V36-A39 HydrophobicContact CG1-CB 3.55Å; V36-D354 HydrophobicContact CG2-CB 3.94Å; V36-Y357 HydrophobicContact CG2-CD1 4.36Å; V36-Y357 HydrophobicContact CG2-CD2 3.72Å; V36-Y357 HydrophobicContact CG2-CE2 4.48Å; V36-Y357 HydrophobicContact CG2-CG 3.64Å
37	K	61.9	Low	56.2	Low	162 Å²	162	90.2 Å²	90.2	70%	0.704	44%	0.435	S	S	*	.	S	Bend	trans	-78.1	-22.6	173.1	-50	173.9	-179.8	168.9	0	110.4	R35 T107 D353	R35-K37 PolarHBondContact O-N 3.38Å; K37-T107 HydrophobicContact CD-CG2 3.95Å; K37-D353 WeakPolarHBondContact CB-OD2 3.41Å; K37-D353 PolarHBondContact N-OD1 2.87Å; K37-D353 VanDerWaalsContact N-OD1 3.13Å; K37-D353 PolarHBondContact N-OD2 3.46Å
38	F	73.5	Confident	57.7	Low	45 Å²	45	84.8 Å²	84.8	20%	0.197	43%	0.425	C	S	.	.			trans	-153.6	117.8	-176.5	179.4	-100	0	0	0	111.8	V36 Q40 K100 I351 T352 D353	V36-F38 VanDerWaalsContact C-N 3.25Å; F38-Q40 HydrophobicContact CE1-CG 4.42Å; F38-Q40 HydrophobicContact CE2-CG 4.24Å; F38-Q40 HydrophobicContact CZ-CG 4.09Å; F38-K100 HydrophobicContact CD2-CD 4.36Å; F38-K100 HydrophobicContact CE2-CB 3.67Å; F38-K100 HydrophobicContact CE2-CD 4.08Å; F38-K100 HydrophobicContact CZ-CB 4.34Å; F38-I351 HydrophobicContact CE1-CG2 4.05Å; F38-T352 CarbonylContact O-C 3.55Å; F38-T352 VanDerWaalsContact O-CA 3.22Å; F38-T352 WeakPolarHBondContact O-CA 3.45Å; F38-T352 PolarHBondContact O-OG1 3.08Å; F38-D353 PolarHBondContact N-OD1 3.47Å; F38-D353 VanDerWaalsContact N-OD1 3.08Å; F38-D353 PolarHBondContact O-N 3.48Å; F38-D353 VanDerWaalsContact O-N 3.08Å; F38-D353 VanDerWaalsContact O-OD1 3.08Å
39	A	70.8	Confident	59.9	Low	42 Å²	42	86.5 Å²	86.5	35%	0.347	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.2	163.8	0	0	0	0	0	110.6	V36 I351 Y357	V36-A39 HydrophobicContact CG1-CB 3.55Å; A39-I351 CarbonylContact C-O 3.55Å; A39-I351 WeakPolarHBondContact CA-O 3.46Å; A39-Y357 HydrophobicContact CB-CD1 4.43Å; A39-Y357 HydrophobicContact CB-CE1 3.86Å
40	Q	78.8	Confident	62.3	Low	8 Å²	8	80.6 Å²	80.6	4%	0.037	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.8	173.9	-67.7	-173.3	84.1	0	0	108.9	F38 L42 K100 I351	F38-Q40 HydrophobicContact CE1-CG 4.42Å; F38-Q40 HydrophobicContact CE2-CG 4.24Å; F38-Q40 HydrophobicContact CZ-CG 4.09Å; Q40-L42 HydrophobicContact CB-CD2 4.18Å; Q40-K100 PolarHBondContact NE2-O 2.86Å; Q40-I351 PolarHBondContact N-O 2.88Å; Q40-I351 PolarHBondContact O-N 3.42Å
41	L	75.7	Confident	64.6	Low	67 Å²	67	76.1 Å²	76.1	35%	0.351	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.1	170.3	178.7	62.3	0	0	0	109	R43 F361	L41-R43 HydrophobicContact CD1-CB 3.86Å; L41-R43 HydrophobicContact CD2-CB 4.29Å; L41-R43 HydrophobicContact CG-CB 3.86Å; L41-R43 PolarHBondContact O-N 3.12Å; L41-F361 HydrophobicContact CD1-CE1 4.18Å; L41-F361 HydrophobicContact CD1-CE2 3.89Å; L41-F361 HydrophobicContact CD1-CZ 3.42Å; L41-F361 VanDerWaalsContact CD1-CZ 3.42Å; L41-F361 HydrophobicContact CD2-CE2 3.81Å; L41-F361 HydrophobicContact CD2-CZ 4.14Å; L41-F361 HydrophobicContact CG-CE2 4.48Å; L41-F361 HydrophobicContact CG-CZ 4.42Å
42	L	70.5	Confident	66.9	Low	3 Å²	3	78.3 Å²	78.3	2%	0.016	38%	0.379	C	S	.	.			trans	-87.9	10	-173.1	-50.8	-177.2	0	0	0	113.3	Q40 R44 R96 L98 I333 L349	Q40-L42 HydrophobicContact CB-CD2 4.18Å; L42-R44 PolarHBondContact O-N 2.74Å; L42-R96 VanDerWaalsContact CB-NH1 3.34Å; L42-L98 HydrophobicContact CD1-CD2 3.6Å; L42-L98 HydrophobicContact CD2-CD2 3.83Å; L42-L98 HydrophobicContact CG-CD2 4.38Å; L42-I333 HydrophobicContact CD1-CD1 4.09Å; L42-I333 HydrophobicContact CD1-CG2 3.63Å; L42-L349 HydrophobicContact CB-CB 4.04Å; L42-L349 HydrophobicContact CD1-CB 4.2Å; L42-L349 HydrophobicContact CG-CB 4.4Å; L42-L349 PolarHBondContact N-O 3.21Å
43	R	63.4	Low	69	Low	47 Å²	47	77.2 Å²	77.2	18%	0.177	38%	0.384	C	S	.	.			trans	-90.8	37.6	-169.5	-165.4	175.2	160	-91	-24.3	115.4	L41 L45 D80 D347 N348 K365	L41-R43 HydrophobicContact CD1-CB 3.86Å; L41-R43 HydrophobicContact CD2-CB 4.29Å; L41-R43 HydrophobicContact CG-CB 3.86Å; L41-R43 PolarHBondContact O-N 3.12Å; R43-L45 VanDerWaalsContact C-N 3.25Å; R43-L45 PolarHBondContact O-N 3.27Å; R43-D80 IonicContact CZ-OD1 3.16Å; R43-D80 IonicContact NE-OD1 2.78Å; R43-D80 PolarHBondContact NE-OD1 2.94Å; R43-D80 IonicContact NH2-OD1 2.56Å; R43-D80 PolarHBondContact NH2-OD1 3.14Å; R43-D347 WeakPolarHBondContact CD-OD1 3.42Å; R43-D347 WeakPolarHBondContact CG-OD1 3.2Å; R43-D347 IonicContact NE-OD1 3.33Å; R43-D347 PolarHBondContact NE-OD1 3.36Å; R43-D347 IonicContact NE-OD2 2.74Å; R43-D347 PolarHBondContact NE-OD2 2.65Å; R43-N348 WeakPolarHBondContact CD-OD1 3.34Å; R43-N348 PolarHBondContact NE-OD1 3.2Å; R43-K365 VanDerWaalsContact NH1-CE 3.27Å; R43-K365 VanDerWaalsContact NH1-NZ 3.17Å
44	R	56.2	Low	71.3	Confident	177 Å²	177	72.5 Å²	72.5	67%	0.668	36%	0.36	S	S	*	.			trans	-77.3	88.9	162.6	-71.1	-176.2	-172.5	165.7	4.7	106.6	L42 R54	L42-R44 PolarHBondContact O-N 2.74Å; R44-R54 PolarHBondContact O-NE 3.31Å; R44-R54 PolarHBondContact O-NH2 3.28Å
45	L	64	Low	73.9	Confident	7 Å²	7	66 Å²	66	4%	0.037	34%	0.335	C	S	.	.			trans	-123	1.5	174.7	-61.6	179.3	0	0	0	111.9	R43 D47 W51 L69 M81	R43-L45 VanDerWaalsContact C-N 3.25Å; R43-L45 PolarHBondContact O-N 3.27Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-W51 HydrophobicContact CD2-CB 3.4Å; L45-W51 VanDerWaalsContact CD2-CB 3.4Å; L45-W51 HydrophobicContact CD2-CG 4.09Å; L45-L69 HydrophobicContact CB-CD1 4.15Å; L45-L69 HydrophobicContact CB-CD2 4.46Å; L45-L69 HydrophobicContact CD1-CD2 4.05Å; L45-L69 HydrophobicContact CD2-CD1 4.49Å; L45-L69 HydrophobicContact CD2-CD2 3.93Å; L45-L69 HydrophobicContact CG-CD2 4.36Å; L45-M81 WeakPolarHBondContact CD1-O 3.13Å
46	V	64.5	Low	75.8	Confident	95 Å²	95	59.7 Å²	59.7	58%	0.576	32%	0.316	S	S	*	.	S	Bend	trans	-90.4	9	-177.2	-62.8	0	0	0	0	113.6	A79	V46-A79 HydrophobicContact CG1-CB 4.48Å; V46-A79 WeakPolarHBondContact CG1-O 3.3Å
47	D	73.6	Confident	77.8	Confident	72 Å²	72	61.1 Å²	61.1	39%	0.385	32%	0.321	S	S	.	.	S	Bend	trans	-109.5	35.1	-173.6	64.4	-24.1	0	0	0	112.7	L45 D49 G50 R54	L45-D47 VanDerWaalsContact C-N 3.34Å; D47-D49 PolarHBondContact O-N 3.39Å; D47-G50 PolarHBondContact O-N 3.08Å; D47-G50 VanDerWaalsContact O-N 3.14Å; D47-G50 WeakPolarHBondContact OD2-CA 3.4Å; D47-R54 IonicContact OD1-CZ 3.79Å; D47-R54 IonicContact OD1-NH2 2.69Å; D47-R54 PolarHBondContact OD1-NH2 3.37Å; D47-R54 IonicContact OD2-CZ 3.23Å; D47-R54 VanDerWaalsContact OD2-CZ 3.23Å; D47-R54 IonicContact OD2-NH1 2.75Å; D47-R54 PolarHBondContact OD2-NH1 3.45Å; D47-R54 IonicContact OD2-NH2 2.82Å; D47-R54 PolarHBondContact OD2-NH2 3.08Å
48	G	76.8	Confident	79.5	Confident	48 Å²	48	53.5 Å²	53.5	50%	0.495	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	62.4	-127.3	-178.3	0	0	0	0	0	110.9	G50 W51	G48-G50 PolarHBondContact O-N 2.86Å; G48-W51 VanDerWaalsContact O-CD1 3.23Å
49	D	81.3	Confident	80.7	Confident	109 Å²	109	57.5 Å²	57.5	58%	0.583	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-76.5	1.6	178.2	-88.1	-24.1	0	0	0	114.4	D47 W51 K52	D47-D49 PolarHBondContact O-N 3.39Å; D49-W51 PolarHBondContact O-N 3.09Å; D49-W51 VanDerWaalsContact O-N 3.09Å; D49-K52 HydrophobicContact CB-CD 4.28Å; D49-K52 VanDerWaalsContact CG-NZ 3.28Å; D49-K52 WeakPolarHBondContact O-CB 3.31Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact O-N 3.08Å; D49-K52 VanDerWaalsContact OD1-CE 3.31Å; D49-K52 WeakPolarHBondContact OD1-CE 3.18Å; D49-K52 IonicContact OD1-NZ 3.81Å; D49-K52 PolarHBondContact OD1-NZ 3.28Å; D49-K52 IonicContact OD2-NZ 3.89Å; D49-K52 PolarHBondContact OD2-NZ 3Å
50	G	83.5	Confident	81.9	Confident	21 Å²	21	59.6 Å²	59.6	22%	0.216	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-58.1	-26.2	-178.8	0	0	0	0	0	113.9	D47 G48 K52 S53 R54	D47-G50 PolarHBondContact O-N 3.08Å; D47-G50 VanDerWaalsContact O-N 3.14Å; D47-G50 WeakPolarHBondContact OD2-CA 3.4Å; G48-G50 PolarHBondContact O-N 2.86Å; G50-K52 PolarHBondContact O-N 3.08Å; G50-S53 PolarHBondContact O-N 2.78Å; G50-S53 VanDerWaalsContact O-N 3.14Å; G50-S53 PolarHBondContact O-OG 3.31Å; G50-R54 VanDerWaalsContact C-NH2 3.28Å; G50-R54 PolarHBondContact O-NH1 3.13Å; G50-R54 VanDerWaalsContact O-NH1 3.15Å; G50-R54 PolarHBondContact O-NH2 3.45Å
51	W	87.4	Confident	82.8	Confident	15 Å²	15	62.2 Å²	62.2	6%	0.057	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-60.7	-31.3	176.8	73.6	-86.6	0	0	0	113.4	L45 G48 D49 S53 R54 W55 W67 L69 L83 I94	L45-W51 HydrophobicContact CD2-CB 3.4Å; L45-W51 VanDerWaalsContact CD2-CB 3.4Å; L45-W51 HydrophobicContact CD2-CG 4.09Å; G48-W51 VanDerWaalsContact O-CD1 3.23Å; D49-W51 PolarHBondContact O-N 3.09Å; D49-W51 VanDerWaalsContact O-N 3.09Å; W51-S53 PolarHBondContact O-N 2.89Å; W51-R54 PolarHBondContact O-N 3.35Å; W51-W55 HydrophobicContact CE3-CB 3.92Å; W51-W55 HydrophobicContact CE3-CG 4.39Å; W51-W55 HydrophobicContact CZ3-CB 4.21Å; W51-W55 PolarHBondContact O-N 2.78Å; W51-W67 HydrophobicContact CH2-CB 4Å; W51-W67 HydrophobicContact CZ3-CB 4.39Å; W51-L69 HydrophobicContact CD2-CD1 4.45Å; W51-L69 HydrophobicContact CD2-CD2 4.15Å; W51-L69 HydrophobicContact CD2-CG 4.25Å; W51-L69 HydrophobicContact CG-CD1 3.9Å; W51-L69 HydrophobicContact CG-CD2 4.27Å; W51-L69 HydrophobicContact CG-CG 4.23Å; W51-L69 HydrophobicContact CZ2-CG 4.45Å; W51-L83 HydrophobicContact CD2-CD2 4.38Å; W51-L83 HydrophobicContact CE3-CD2 3.59Å; W51-L83 HydrophobicContact CH2-CD2 4.23Å; W51-L83 HydrophobicContact CZ3-CD2 3.5Å; W51-I94 HydrophobicContact CZ3-CD1 3.8Å
52	K	88.3	Confident	83.7	Confident	114 Å²	114	66.3 Å²	66.3	50%	0.496	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.5	178.2	-65.4	174.9	173.4	158.8	0	113	D49 G50 R54	D49-K52 HydrophobicContact CB-CD 4.28Å; D49-K52 VanDerWaalsContact CG-NZ 3.28Å; D49-K52 WeakPolarHBondContact O-CB 3.31Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact O-N 3.08Å; D49-K52 VanDerWaalsContact OD1-CE 3.31Å; D49-K52 WeakPolarHBondContact OD1-CE 3.18Å; D49-K52 IonicContact OD1-NZ 3.81Å; D49-K52 PolarHBondContact OD1-NZ 3.28Å; D49-K52 IonicContact OD2-NZ 3.89Å; D49-K52 PolarHBondContact OD2-NZ 3Å; G50-K52 PolarHBondContact O-N 3.08Å; K52-R54 VanDerWaalsContact C-N 3.35Å
53	S	87.9	Confident	85	Confident	97 Å²	97	73.4 Å²	73.4	68%	0.678	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-80.6	-17.8	173.9	70.8	0	0	0	0	113.3	G50 W51	G50-S53 PolarHBondContact O-N 2.78Å; G50-S53 VanDerWaalsContact O-N 3.14Å; G50-S53 PolarHBondContact O-OG 3.31Å; W51-S53 PolarHBondContact O-N 2.89Å
54	R	89.6	Confident	86.6	Confident	54 Å²	54	72.3 Å²	72.3	20%	0.204	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-42.1	-177.7	-67	-179.9	-68.9	-83.9	1.5	111.4	R44 D47 G50 W51 K52 R96	R44-R54 PolarHBondContact O-NE 3.31Å; R44-R54 PolarHBondContact O-NH2 3.28Å; D47-R54 IonicContact OD1-CZ 3.79Å; D47-R54 IonicContact OD1-NH2 2.69Å; D47-R54 PolarHBondContact OD1-NH2 3.37Å; D47-R54 IonicContact OD2-CZ 3.23Å; D47-R54 VanDerWaalsContact OD2-CZ 3.23Å; D47-R54 IonicContact OD2-NH1 2.75Å; D47-R54 PolarHBondContact OD2-NH1 3.45Å; D47-R54 IonicContact OD2-NH2 2.82Å; D47-R54 PolarHBondContact OD2-NH2 3.08Å; G50-R54 VanDerWaalsContact C-NH2 3.28Å; G50-R54 PolarHBondContact O-NH1 3.13Å; G50-R54 VanDerWaalsContact O-NH1 3.15Å; G50-R54 PolarHBondContact O-NH2 3.45Å; W51-R54 PolarHBondContact O-N 3.35Å; K52-R54 VanDerWaalsContact C-N 3.35Å; R54-R96 WeakPolarHBondContact O-CB 3.19Å
55	W	94.7	Very high	88.5	Confident	6 Å²	6	63.9 Å²	63.9	2%	0.023	34%	0.342	C	S	.	.	S	Bend	trans	-99.1	118.6	177	-69.9	95.8	0	0	0	109.9	W51 L83 I94 S95 R96 I333 I335 L349	W51-W55 HydrophobicContact CE3-CB 3.92Å; W51-W55 HydrophobicContact CE3-CG 4.39Å; W51-W55 HydrophobicContact CZ3-CB 4.21Å; W51-W55 PolarHBondContact O-N 2.78Å; W55-L83 HydrophobicContact CD2-CD1 3.71Å; W55-L83 HydrophobicContact CE3-CD1 3.96Å; W55-L83 HydrophobicContact CG-CD1 4.23Å; W55-L83 HydrophobicContact CH2-CD1 4.09Å; W55-L83 HydrophobicContact CZ2-CD1 3.87Å; W55-L83 HydrophobicContact CZ3-CD1 4.14Å; W55-I94 HydrophobicContact CB-CD1 3.69Å; W55-I94 HydrophobicContact CB-CG1 4.01Å; W55-I94 HydrophobicContact CE3-CD1 4.4Å; W55-I94 HydrophobicContact CE3-CG1 4.07Å; W55-I94 HydrophobicContact CE3-CG2 4.19Å; W55-I94 HydrophobicContact CG-CD1 4.44Å; W55-I94 HydrophobicContact CZ3-CG2 4.39Å; W55-S95 CarbonylContact C-O 3.59Å; W55-S95 WeakPolarHBondContact CA-O 3.33Å; W55-R96 HydrophobicContact CD2-CB 3.98Å; W55-R96 HydrophobicContact CD2-CG 3.86Å; W55-R96 VanDerWaalsContact CE2-CD 3.49Å; W55-R96 HydrophobicContact CE3-CB 4Å; W55-R96 HydrophobicContact CE3-CG 3.87Å; W55-R96 HydrophobicContact CG-CB 4.36Å; W55-R96 HydrophobicContact CH2-CG 3.9Å; W55-R96 HydrophobicContact CZ2-CG 3.86Å; W55-R96 HydrophobicContact CZ3-CB 4.45Å; W55-R96 HydrophobicContact CZ3-CG 3.91Å; W55-I333 HydrophobicContact CH2-CG2 4.25Å; W55-I335 HydrophobicContact CZ3-CD1 4.5Å; W55-L349 HydrophobicContact CH2-CD1 3.65Å; W55-L349 HydrophobicContact CZ2-CD1 3.64Å
56	V	95.9	Very high	90.1	Very high	41 Å²	41	69.2 Å²	69.2	25%	0.248	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115	179.8	-179.4	0	0	0	0	107.8	I94 S95 L137 E138	V56-I94 WeakPolarHBondContact O-CA 3.22Å; V56-I94 WeakPolarHBondContact O-CG1 3.39Å; V56-S95 PolarHBondContact N-O 3.42Å; V56-S95 PolarHBondContact O-N 3.33Å; V56-L137 HydrophobicContact CB-CB 3.87Å; V56-L137 HydrophobicContact CB-CD1 4.12Å; V56-L137 HydrophobicContact CG1-CB 3.94Å; V56-L137 HydrophobicContact CG2-CB 4.27Å; V56-L137 HydrophobicContact CG2-CD1 3.79Å; V56-E138 HydrophobicContact CG1-CG 4.15Å
57	Q	96.3	Very high	91.6	Very high	54 Å²	54	65.3 Å²	65.3	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.3	167.5	-178.4	170.2	-33.3	0	0	108.3	Q59 G65	Q57-Q59 PolarHBondContact O-NE2 3.32Å; Q57-G65 PolarHBondContact NE2-O 2.87Å
58	S	97.7	Very high	92.6	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.014	34%	0.343	C	S	.	.			trans	-60.6	145	-179.9	-179.7	0	0	0	0	111.3	H60 A93 E138 F140	S58-H60 WeakPolarHBondContact OG-CB 3.22Å; S58-H60 PolarHBondContact OG-N 2.85Å; S58-A93 PolarHBondContact N-O 3Å; S58-E138 PolarHBondContact OG-O 2.88Å; S58-E138 VanDerWaalsContact OG-O 3.11Å; S58-F140 WeakPolarHBondContact CB-O 3.38Å; S58-F140 PolarHBondContact OG-N 3.33Å; S58-F140 PolarHBondContact OG-O 3.35Å
59	Q	97	Very high	93.4	Very high	129 Å²	129	65.9 Å²	65.9	60%	0.603	33%	0.328	S	S	*	.			trans	-106.4	4.8	175.4	-54.5	-56.1	-48	0	0	111.9	Q57 D61 E138	Q57-Q59 PolarHBondContact O-NE2 3.32Å; Q59-D61 PolarHBondContact O-N 3.03Å; Q59-E138 WeakPolarHBondContact CA-O 3.44Å; Q59-E138 PolarHBondContact N-O 3.03Å
60	H	97.4	Very high	94	Very high	86 Å²	86	61.7 Å²	61.7	40%	0.398	31%	0.307	S	S	.	.	S	Bend	trans	-60	-32.2	-178.8	-174.5	74.3	0	0	0	113.5	S58 Y64 E138 E139 N141	S58-H60 WeakPolarHBondContact OG-CB 3.22Å; S58-H60 PolarHBondContact OG-N 2.85Å; H60-Y64 HydrophobicContact CB-CE2 4.09Å; H60-E138 PolarHBondContact N-O 3.38Å; H60-E139 IonicContact CE1-OE2 2.66Å; H60-E139 IonicContact CG-OE2 2.69Å; H60-E139 IonicContact ND1-OE2 3.66Å; H60-E139 PolarHBondContact ND1-OE2 3.25Å; H60-N141 HydrophobicContact CB-CB 4.31Å; H60-N141 PolarHBondContact CD2-ND2 3.02Å; H60-N141 PolarHBondContact CE1-ND2 3.44Å; H60-N141 VanDerWaalsContact CE1-ND2 3.27Å; H60-N141 PolarHBondContact ND1-ND2 3.13Å; H60-N141 PolarHBondContact NE2-ND2 3.14Å
61	D	96.6	Very high	94.4	Very high	63 Å²	63	63.6 Å²	63.6	34%	0.337	31%	0.31	S	S	.	.			trans	-136.8	127.1	176.9	-165.1	-38.3	0	0	0	109.3	Q59 K63 Y64	Q59-D61 PolarHBondContact O-N 3.03Å; D61-K63 PolarHBondContact O-N 3.1Å; D61-K63 VanDerWaalsContact OD1-CB 3.29Å; D61-K63 WeakPolarHBondContact OD1-CB 3.4Å; D61-K63 PolarHBondContact OD1-N 3.34Å; D61-Y64 HydrophobicContact CB-CD1 4.13Å; D61-Y64 HydrophobicContact CB-CD2 4.04Å; D61-Y64 HydrophobicContact CB-CE1 3.93Å; D61-Y64 HydrophobicContact CB-CE2 3.86Å; D61-Y64 HydrophobicContact CB-CG 4.18Å; D61-Y64 WeakPolarHBondContact O-CD2 3.14Å; D61-Y64 PolarHBondContact O-N 3.32Å
62	D	95.7	Very high	94.7	Very high	153 Å²	153	63.1 Å²	63.1	82%	0.818	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	-179.7	66.1	-22.6	0	0	0	113
63	K	96.6	Very high	94.9	Very high	151 Å²	151	64.5 Å²	64.5	66%	0.657	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	5.4	176.6	-57.7	172.2	-171.4	167.7	0	113.4	D61 G65 H90	D61-K63 PolarHBondContact O-N 3.1Å; D61-K63 VanDerWaalsContact OD1-CB 3.29Å; D61-K63 WeakPolarHBondContact OD1-CB 3.4Å; D61-K63 PolarHBondContact OD1-N 3.34Å; K63-G65 PolarHBondContact O-N 2.85Å; K63-H90 PolarHBondContact O-CD2 3.39Å; K63-H90 VanDerWaalsContact O-CD2 3.28Å
64	Y	97.9	Very high	95.1	Very high	25 Å²	25	61.9 Å²	61.9	10%	0.098	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-62.4	136.6	173	-73.7	-32.1	0	0	0	111.4	H60 D61 F91 A93 N141	H60-Y64 HydrophobicContact CB-CE2 4.09Å; D61-Y64 HydrophobicContact CB-CD1 4.13Å; D61-Y64 HydrophobicContact CB-CD2 4.04Å; D61-Y64 HydrophobicContact CB-CE1 3.93Å; D61-Y64 HydrophobicContact CB-CE2 3.86Å; D61-Y64 HydrophobicContact CB-CG 4.18Å; D61-Y64 WeakPolarHBondContact O-CD2 3.14Å; D61-Y64 PolarHBondContact O-N 3.32Å; Y64-F91 CarbonylContact C-O 3.57Å; Y64-F91 VanDerWaalsContact CA-O 3.29Å; Y64-F91 WeakPolarHBondContact CA-O 3.39Å; Y64-F91 HydrophobicContact CD1-CB 3.57Å; Y64-F91 WeakPolarHBondContact CD1-O 3.46Å; Y64-F91 HydrophobicContact CE1-CB 3.57Å; Y64-F91 HydrophobicContact CE1-CG 4.49Å; Y64-A93 HydrophobicContact CD2-CB 3.9Å; Y64-A93 HydrophobicContact CE1-CB 4.36Å; Y64-A93 HydrophobicContact CE2-CB 3.6Å; Y64-A93 HydrophobicContact CG-CB 4.39Å; Y64-N141 WeakPolarHBondContact OH-CB 3.45Å
65	G	97	Very high	95.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.1	149.8	175.2	0	0	0	0	0	111.2	Q57 K63 F91 Y92	Q57-G65 PolarHBondContact NE2-O 2.87Å; K63-G65 PolarHBondContact O-N 2.85Å; G65-F91 PolarHBondContact N-O 3.07Å; G65-Y92 VanDerWaalsContact C-CE1 3.44Å; G65-Y92 VanDerWaalsContact CA-CE1 3.48Å; G65-Y92 WeakPolarHBondContact O-CD1 3.4Å
66	E	96.3	Very high	95	Very high	118 Å²	118	67.5 Å²	67.5	55%	0.551	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-78.3	143.3	179	-60.8	-176.7	165.9	0	0	111	S86 Y92	E66-S86 PolarHBondContact O-N 3.43Å; E66-S86 PolarHBondContact O-OG 2.82Å; E66-Y92 WeakPolarHBondContact O-CE1 3.48Å
67	W	95.9	Very high	94.6	Very high	14 Å²	14	69.3 Å²	69.3	5%	0.053	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.3	171.9	-67.8	86.5	0	0	0	110.3	W51 L83 T85 Y92 I94 I335 F346	W51-W67 HydrophobicContact CH2-CB 4Å; W51-W67 HydrophobicContact CZ3-CB 4.39Å; W67-L83 HydrophobicContact CE3-CB 3.89Å; W67-L83 HydrophobicContact CZ3-CB 4.07Å; W67-T85 HydrophobicContact CE3-CG2 4.34Å; W67-T85 HydrophobicContact CH2-CG2 3.85Å; W67-T85 HydrophobicContact CZ2-CG2 4.4Å; W67-T85 HydrophobicContact CZ3-CG2 3.81Å; W67-Y92 HydrophobicContact CD2-CD1 4.3Å; W67-Y92 AromaticContact CE2-CD1 3.84Å; W67-Y92 VanDerWaalsContact CZ2-CB 3.49Å; W67-Y92 HydrophobicContact CZ2-CD1 4.18Å; W67-Y92 HydrophobicContact CZ2-CG 4.17Å; W67-Y92 AromaticContact NE1-CD1 3.78Å; W67-I94 HydrophobicContact CB-CD1 4.05Å; W67-I94 HydrophobicContact CD2-CB 4.32Å; W67-I94 HydrophobicContact CD2-CD1 4.27Å; W67-I94 HydrophobicContact CD2-CG2 3.9Å; W67-I94 HydrophobicContact CE3-CG2 4.45Å; W67-I94 HydrophobicContact CG-CB 4.33Å; W67-I94 HydrophobicContact CG-CD1 3.8Å; W67-I94 HydrophobicContact CG-CG2 4.39Å; W67-I94 HydrophobicContact CH2-CG2 4.1Å; W67-I94 HydrophobicContact CZ2-CB 4.24Å; W67-I94 HydrophobicContact CZ2-CG2 3.47Å; W67-I94 VanDerWaalsContact CZ2-CG2 3.47Å; W67-I335 HydrophobicContact CH2-CB 4.12Å; W67-I335 HydrophobicContact CH2-CD1 4.32Å; W67-I335 HydrophobicContact CH2-CG2 3.63Å; W67-I335 HydrophobicContact CZ2-CB 4.24Å; W67-I335 HydrophobicContact CZ2-CG2 3.99Å; W67-F346 HydrophobicContact CH2-CD2 4.07Å; W67-F346 AromaticContact CH2-CE2 3.98Å; W67-F346 HydrophobicContact CH2-CE2 3.98Å; W67-F346 AromaticContact CZ3-CD2 3.81Å; W67-F346 HydrophobicContact CZ3-CD2 3.81Å; W67-F346 HydrophobicContact CZ3-CE2 4.08Å
68	K	94.6	Very high	94.1	Very high	97 Å²	97	72.3 Å²	72.3	42%	0.422	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	166.7	171	69.3	-176.7	-176.4	-176.4	0	110.9	Q84	K68-Q84 HydrophobicContact CG-CB 4.11Å; K68-Q84 PolarHBondContact N-O 3.46Å; K68-Q84 PolarHBondContact O-N 3.49Å
69	L	93.8	Very high	93.5	Very high	34 Å²	34	74 Å²	74	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.7	168.4	-65.1	-170.8	0	0	0	110.8	L45 W51 M81 G82 L83	L45-L69 HydrophobicContact CB-CD1 4.15Å; L45-L69 HydrophobicContact CB-CD2 4.46Å; L45-L69 HydrophobicContact CD1-CD2 4.05Å; L45-L69 HydrophobicContact CD2-CD1 4.49Å; L45-L69 HydrophobicContact CD2-CD2 3.93Å; L45-L69 HydrophobicContact CG-CD2 4.36Å; W51-L69 HydrophobicContact CD2-CD1 4.45Å; W51-L69 HydrophobicContact CD2-CD2 4.15Å; W51-L69 HydrophobicContact CD2-CG 4.25Å; W51-L69 HydrophobicContact CG-CD1 3.9Å; W51-L69 HydrophobicContact CG-CD2 4.27Å; W51-L69 HydrophobicContact CG-CG 4.23Å; W51-L69 HydrophobicContact CZ2-CG 4.45Å; L69-M81 HydrophobicContact CB-CB 4.07Å; L69-M81 HydrophobicContact CB-SD 3.89Å; L69-M81 HydrophobicContact CD1-CE 4.2Å; L69-G82 WeakPolarHBondContact CA-O 3.49Å; L69-L83 HydrophobicContact CD2-CD2 3.84Å; L69-L83 HydrophobicContact CD2-CG 4.43Å
70	S	93.9	Very high	93	Very high	22 Å²	22	69.1 Å²	69.1	15%	0.154	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139	178.2	-172.4	0	0	0	0	111.3	G72 M81 G82 Q84	S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact OG-N 3.05Å; S70-M81 WeakPolarHBondContact O-CA 3.36Å; S70-G82 PolarHBondContact N-O 2.93Å; S70-G82 PolarHBondContact O-N 3.33Å; S70-Q84 PolarHBondContact OG-OE1 2.91Å; S70-Q84 VanDerWaalsContact OG-OE1 3.1Å
71	H	91.8	Very high	92.7	Very high	60 Å²	60	67.2 Å²	67.2	28%	0.278	34%	0.338	S	S	.	.			trans	-85.4	-6.3	166.2	54.6	64.3	0	0	0	112	F75 D80 M81 R116	H71-F75 HydrophobicContact CB-CB 3.89Å; H71-F75 HydrophobicContact CB-CD2 4.5Å; H71-F75 HydrophobicContact CB-CG 4.15Å; H71-F75 AromaticContact CE1-CD1 3.54Å; H71-F75 AromaticContact CE1-CE1 3.36Å; H71-F75 WeakPolarHBondContact CE1-CE1 3.12Å; H71-F75 AromaticContact CE1-CZ 3.7Å; H71-F75 AromaticContact CG-CG 3.83Å; H71-F75 AromaticContact ND1-CD1 3.14Å; H71-F75 WeakPolarHBondContact ND1-CD1 3.25Å; H71-F75 AromaticContact ND1-CD2 3.92Å; H71-F75 AromaticContact ND1-CE1 3.52Å; H71-F75 AromaticContact ND1-CG 3.37Å; H71-F75 WeakPolarHBondContact ND1-CG 3.2Å; H71-D80 WeakPolarHBondContact CA-O 3.29Å; H71-D80 VanDerWaalsContact CB-O 3.29Å; H71-D80 WeakPolarHBondContact CB-O 3.37Å; H71-M81 HydrophobicContact CB-CG 4.3Å; H71-R116 PolarHBondContact O-NH1 3.11Å
72	G	93.5	Very high	92.5	Very high	5 Å²	5	64.2 Å²	64.2	5%	0.052	32%	0.322	C	S	.	.			trans	75.5	176.6	-175.9	0	0	0	0	0	114.5	S70 F75 E118	S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact OG-N 3.05Å; G72-F75 WeakPolarHBondContact O-CD1 3.43Å; G72-E118 VanDerWaalsContact C-OE2 3.32Å; G72-E118 WeakPolarHBondContact CA-OE2 3.2Å
73	K	93	Very high	92.5	Very high	143 Å²	143	57 Å²	57	62%	0.622	28%	0.284	S	S	*	.	S	Bend	trans	-62.9	-42.3	176.2	-76.8	159	-153.7	163.9	0	112.3	E118	K73-E118 HydrophobicContact CB-CG 4.5Å; K73-E118 WeakPolarHBondContact CB-OE1 3.31Å; K73-E118 HydrophobicContact CD-CG 4.01Å; K73-E118 WeakPolarHBondContact CD-OE1 3.33Å; K73-E118 WeakPolarHBondContact CE-OE1 3.37Å; K73-E118 WeakPolarHBondContact CG-OE1 3.33Å; K73-E118 PolarHBondContact N-OE1 3.07Å; K73-E118 PolarHBondContact N-OE2 2.76Å; K73-E118 PolarHBondContact NZ-O 2.85Å; K73-E118 IonicContact NZ-OE1 3.44Å
74	L	91.7	Very high	92.5	Very high	43 Å²	43	50.4 Å²	50.4	23%	0.225	26%	0.255	C	S	.	.	S	Bend	trans	-99.4	116.5	176.6	-62	177.8	0	0	0	109.1	R116 F187 V372 E373 E376	L74-R116 PolarHBondContact O-NH1 3.46Å; L74-R116 PolarHBondContact O-NH2 3.25Å; L74-F187 HydrophobicContact CD1-CD1 4.2Å; L74-F187 HydrophobicContact CD1-CE1 3.97Å; L74-V372 HydrophobicContact CD2-CG1 4.46Å; L74-E373 HydrophobicContact CD1-CG 4.12Å; L74-E376 HydrophobicContact CD1-CB 4.02Å; L74-E376 HydrophobicContact CD1-CG 3.98Å; L74-E376 HydrophobicContact CD2-CG 4.37Å
75	F	92.1	Very high	92.5	Very high	92 Å²	92	49.3 Å²	49.3	40%	0.404	25%	0.251	S	S	.	.			trans	-150.9	158	179	65.5	-78.7	0	0	0	110.3	H71 G72 D78	H71-F75 HydrophobicContact CB-CB 3.89Å; H71-F75 HydrophobicContact CB-CD2 4.5Å; H71-F75 HydrophobicContact CB-CG 4.15Å; H71-F75 AromaticContact CE1-CD1 3.54Å; H71-F75 AromaticContact CE1-CE1 3.36Å; H71-F75 WeakPolarHBondContact CE1-CE1 3.12Å; H71-F75 AromaticContact CE1-CZ 3.7Å; H71-F75 AromaticContact CG-CG 3.83Å; H71-F75 AromaticContact ND1-CD1 3.14Å; H71-F75 WeakPolarHBondContact ND1-CD1 3.25Å; H71-F75 AromaticContact ND1-CD2 3.92Å; H71-F75 AromaticContact ND1-CE1 3.52Å; H71-F75 AromaticContact ND1-CG 3.37Å; H71-F75 WeakPolarHBondContact ND1-CG 3.2Å; G72-F75 WeakPolarHBondContact O-CD1 3.43Å; F75-D78 HydrophobicContact CD2-CB 4.43Å; F75-D78 HydrophobicContact CE2-CB 4.03Å
76	V	90.5	Very high	92.5	Very high	86 Å²	86	51 Å²	51	52%	0.521	26%	0.263	S	S	.	.	S	Bend	trans	-112	-28.3	176.5	-179.5	0	0	0	0	111.4	A368 L369 V372	V76-A368 HydrophobicContact CG1-CB 4.05Å; V76-A368 HydrophobicContact CG2-CB 4.24Å; V76-L369 HydrophobicContact CG2-CB 4.3Å; V76-V372 HydrophobicContact CG2-CG2 3.94Å
77	D	87	Confident	92.6	Very high	79 Å²	79	48.3 Å²	48.3	42%	0.422	25%	0.25	S	S	.	.			trans	-133	123.7	-178.4	178.4	1.3	0	0	0	107.6	A79 D80	D77-A79 PolarHBondContact O-N 3.16Å; D77-A79 WeakPolarHBondContact OD1-CB 3.43Å; D77-A79 PolarHBondContact OD1-N 3.31Å; D77-D80 HydrophobicContact CB-CB 4Å; D77-D80 VanDerWaalsContact O-CB 3.3Å; D77-D80 WeakPolarHBondContact O-CB 3.02Å; D77-D80 PolarHBondContact O-N 3.14Å; D77-D80 VanDerWaalsContact O-N 3.11Å
78	D	86	Confident	92.6	Very high	116 Å²	116	52.2 Å²	52.2	62%	0.62	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20	-177.8	61.2	-13.4	0	0	0	112.5	F75	F75-D78 HydrophobicContact CD2-CB 4.43Å; F75-D78 HydrophobicContact CE2-CB 4.03Å
79	A	85.7	Confident	92.7	Very high	39 Å²	39	50.2 Å²	50.2	32%	0.322	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.9	170.7	0	0	0	0	0	112.5	V46 D77 M81	V46-A79 HydrophobicContact CG1-CB 4.48Å; V46-A79 WeakPolarHBondContact CG1-O 3.3Å; D77-A79 PolarHBondContact O-N 3.16Å; D77-A79 WeakPolarHBondContact OD1-CB 3.43Å; D77-A79 PolarHBondContact OD1-N 3.31Å; A79-M81 PolarHBondContact O-N 2.88Å
80	D	86.2	Confident	92.9	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.134	28%	0.277	C	S	.	.			trans	-83.8	76.4	-177.1	-166.1	14.8	0	0	0	112.4	R43 H71 D77 K365	R43-D80 IonicContact CZ-OD1 3.16Å; R43-D80 IonicContact NE-OD1 2.78Å; R43-D80 PolarHBondContact NE-OD1 2.94Å; R43-D80 IonicContact NH2-OD1 2.56Å; R43-D80 PolarHBondContact NH2-OD1 3.14Å; H71-D80 WeakPolarHBondContact CA-O 3.29Å; H71-D80 VanDerWaalsContact CB-O 3.29Å; H71-D80 WeakPolarHBondContact CB-O 3.37Å; D77-D80 HydrophobicContact CB-CB 4Å; D77-D80 VanDerWaalsContact O-CB 3.3Å; D77-D80 WeakPolarHBondContact O-CB 3.02Å; D77-D80 PolarHBondContact O-N 3.14Å; D77-D80 VanDerWaalsContact O-N 3.11Å; D80-K365 WeakPolarHBondContact OD1-CE 3.31Å; D80-K365 IonicContact OD1-NZ 2.8Å; D80-K365 PolarHBondContact OD1-NZ 3.44Å; D80-K365 WeakPolarHBondContact OD2-CE 3.29Å; D80-K365 IonicContact OD2-NZ 2.62Å; D80-K365 PolarHBondContact OD2-NZ 2.64Å
81	M	90.9	Very high	93	Very high	46 Å²	46	54.8 Å²	54.8	23%	0.227	29%	0.29	C	S	.	.			trans	-104.7	143.3	-177.5	-60.9	-177.2	-76.2	0	0	112.7	L45 L69 S70 H71 A79	L45-M81 WeakPolarHBondContact CD1-O 3.13Å; L69-M81 HydrophobicContact CB-CB 4.07Å; L69-M81 HydrophobicContact CB-SD 3.89Å; L69-M81 HydrophobicContact CD1-CE 4.2Å; S70-M81 WeakPolarHBondContact O-CA 3.36Å; H71-M81 HydrophobicContact CB-CG 4.3Å; A79-M81 PolarHBondContact O-N 2.88Å
82	G	93.6	Very high	93.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	172.2	168.7	0	0	0	0	0	112.9	L69 S70 F346	L69-G82 WeakPolarHBondContact CA-O 3.49Å; S70-G82 PolarHBondContact N-O 2.93Å; S70-G82 PolarHBondContact O-N 3.33Å; G82-F346 CarbonylContact C-O 3.5Å; G82-F346 WeakPolarHBondContact CA-O 3.49Å
83	L	95.4	Very high	93.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.3	173.6	-70.2	169.1	0	0	0	109.7	W51 W55 W67 L69 I94 I335 I345 F346	W51-L83 HydrophobicContact CD2-CD2 4.38Å; W51-L83 HydrophobicContact CE3-CD2 3.59Å; W51-L83 HydrophobicContact CH2-CD2 4.23Å; W51-L83 HydrophobicContact CZ3-CD2 3.5Å; W55-L83 HydrophobicContact CD2-CD1 3.71Å; W55-L83 HydrophobicContact CE3-CD1 3.96Å; W55-L83 HydrophobicContact CG-CD1 4.23Å; W55-L83 HydrophobicContact CH2-CD1 4.09Å; W55-L83 HydrophobicContact CZ2-CD1 3.87Å; W55-L83 HydrophobicContact CZ3-CD1 4.14Å; W67-L83 HydrophobicContact CE3-CB 3.89Å; W67-L83 HydrophobicContact CZ3-CB 4.07Å; L69-L83 HydrophobicContact CD2-CD2 3.84Å; L69-L83 HydrophobicContact CD2-CG 4.43Å; L83-I94 HydrophobicContact CD2-CD1 4.39Å; L83-I335 HydrophobicContact CD1-CD1 4.47Å; L83-I345 CarbonylContact O-C 3.59Å; L83-I345 WeakPolarHBondContact O-CA 3.36Å; L83-F346 HydrophobicContact CB-CB 4.47Å; L83-F346 PolarHBondContact N-O 3.34Å; L83-F346 PolarHBondContact O-N 3.46Å
84	Q	96.6	Very high	93.8	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.6	-177.8	-168.4	177	46.6	0	0	111.7	K68 S70 G343 T344 I345	K68-Q84 HydrophobicContact CG-CB 4.11Å; K68-Q84 PolarHBondContact N-O 3.46Å; K68-Q84 PolarHBondContact O-N 3.49Å; S70-Q84 PolarHBondContact OG-OE1 2.91Å; S70-Q84 VanDerWaalsContact OG-OE1 3.1Å; Q84-G343 PolarHBondContact NE2-O 3.39Å; Q84-T344 VanDerWaalsContact CA-O 3.28Å; Q84-T344 WeakPolarHBondContact CA-O 3.42Å; Q84-I345 HydrophobicContact CB-CG1 4.05Å; Q84-I345 HydrophobicContact CG-CG1 3.77Å
85	T	97.6	Very high	94.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.3	168.1	55.6	0	0	0	0	110.6	W67 Y92 L337 Q339 G343 T344	W67-T85 HydrophobicContact CE3-CG2 4.34Å; W67-T85 HydrophobicContact CH2-CG2 3.85Å; W67-T85 HydrophobicContact CZ2-CG2 4.4Å; W67-T85 HydrophobicContact CZ3-CG2 3.81Å; T85-Y92 VanDerWaalsContact CB-CZ 3.46Å; T85-Y92 HydrophobicContact CG2-CD1 3.71Å; T85-Y92 HydrophobicContact CG2-CD2 3.79Å; T85-Y92 HydrophobicContact CG2-CE1 3.78Å; T85-Y92 HydrophobicContact CG2-CE2 3.9Å; T85-Y92 HydrophobicContact CG2-CG 3.7Å; T85-L337 HydrophobicContact CG2-CD1 4.47Å; T85-Q339 VanDerWaalsContact CB-OE1 3.31Å; T85-Q339 VanDerWaalsContact CG2-OE1 3.29Å; T85-Q339 PolarHBondContact OG1-OE1 3.01Å; T85-G343 WeakPolarHBondContact O-CA 3.28Å; T85-G343 PolarHBondContact O-N 3.43Å; T85-G343 PolarHBondContact OG1-N 2.95Å; T85-T344 PolarHBondContact N-O 2.66Å; T85-T344 PolarHBondContact OG1-N 2.89Å; T85-T344 VanDerWaalsContact OG1-N 3.14Å
86	S	96.9	Very high	94.3	Very high	36 Å²	36	39 Å²	39	25%	0.252	22%	0.217	S	C	.	.			trans	-114.4	-15.3	-169.2	62.6	0	0	0	0	118.4	E66 Y92 S342	E66-S86 PolarHBondContact O-N 3.43Å; E66-S86 PolarHBondContact O-OG 2.82Å; S86-Y92 PolarHBondContact N-OH 2.92Å; S86-S342 PolarHBondContact O-OG 2.9Å
87	Q	97.3	Very high	94.5	Very high	61 Å²	61	40.4 Å²	40.4	29%	0.285	22%	0.216	S	C	.	.	S	Bend	trans	-128.5	130.7	-176.9	-64.8	132.3	-63.9	0	0	113.4	Y92 S342	Q87-Y92 VanDerWaalsContact C-OH 3.28Å; Q87-Y92 WeakPolarHBondContact CA-OH 3.41Å; Q87-Y92 PolarHBondContact N-OH 2.79Å; Q87-Y92 PolarHBondContact O-OH 3.08Å; Q87-S342 VanDerWaalsContact C-OG 3.27Å; Q87-S342 PolarHBondContact N-OG 3.46Å; Q87-S342 WeakPolarHBondContact O-CB 3.14Å
88	D	97	Very high	94.8	Very high	96 Å²	96	37.2 Å²	37.2	51%	0.513	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	148.8	179.1	-63.8	-14.6	0	0	0	112.1	H90 V340 S342	D88-H90 PolarHBondContact O-CE1 3.04Å; D88-H90 PolarHBondContact O-N 3.39Å; D88-H90 PolarHBondContact O-ND1 3.28Å; D88-V340 CarbonylContact C-O 3.52Å; D88-V340 WeakPolarHBondContact CA-O 3.37Å; D88-V340 WeakPolarHBondContact CB-O 3.27Å; D88-S342 PolarHBondContact N-OG 3.49Å; D88-S342 WeakPolarHBondContact OD1-CB 3.14Å; D88-S342 PolarHBondContact OD1-N 2.68Å; D88-S342 PolarHBondContact OD1-OG 3.44Å
89	A	96.2	Very high	94.9	Very high	55 Å²	55	36.7 Å²	36.7	46%	0.455	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	48.3	178.6	0	0	0	0	0	113.6	W338 Q339 V340	A89-W338 VanDerWaalsContact C-CZ3 3.42Å; A89-W338 HydrophobicContact CB-CH2 3.87Å; A89-W338 HydrophobicContact CB-CZ2 4.03Å; A89-W338 WeakPolarHBondContact O-CH2 3.32Å; A89-W338 WeakPolarHBondContact O-CZ3 3.37Å; A89-Q339 VanDerWaalsContact CA-O 3.26Å; A89-Q339 WeakPolarHBondContact CA-O 3.5Å; A89-Q339 PolarHBondContact N-O 3.35Å; A89-Q339 VanDerWaalsContact N-O 3.08Å; A89-V340 PolarHBondContact N-O 3.32Å
90	H	97.2	Very high	95.1	Very high	55 Å²	55	41 Å²	41	26%	0.255	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.7	175.4	-72.7	65.1	0	0	0	111.3	K63 D88 Y92 Q339	K63-H90 PolarHBondContact O-CD2 3.39Å; K63-H90 VanDerWaalsContact O-CD2 3.28Å; D88-H90 PolarHBondContact O-CE1 3.04Å; D88-H90 PolarHBondContact O-N 3.39Å; D88-H90 PolarHBondContact O-ND1 3.28Å; H90-Y92 HydrophobicContact CB-CD2 4.42Å; H90-Y92 HydrophobicContact CB-CE2 3.77Å; H90-Y92 WeakPolarHBondContact O-CD2 3.38Å; H90-Y92 WeakPolarHBondContact O-CE2 3.23Å; H90-Q339 PolarHBondContact N-O 3.3Å; H90-Q339 PolarHBondContact O-N 3.44Å; H90-Q339 VanDerWaalsContact O-N 3.14Å
91	F	97.9	Very high	95.4	Very high	97 Å²	97	42.7 Å²	42.7	43%	0.425	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	145.9	157.7	-77.9	-83.2	0	0	0	108.6	Y64 G65 L337 W338	Y64-F91 CarbonylContact C-O 3.57Å; Y64-F91 VanDerWaalsContact CA-O 3.29Å; Y64-F91 WeakPolarHBondContact CA-O 3.39Å; Y64-F91 HydrophobicContact CD1-CB 3.57Å; Y64-F91 WeakPolarHBondContact CD1-O 3.46Å; Y64-F91 HydrophobicContact CE1-CB 3.57Å; Y64-F91 HydrophobicContact CE1-CG 4.49Å; G65-F91 PolarHBondContact N-O 3.07Å; F91-L337 CarbonylContact C-O 3.48Å; F91-L337 WeakPolarHBondContact CA-O 2.98Å; F91-W338 HydrophobicContact CB-CE3 4.4Å; F91-W338 HydrophobicContact CD1-CB 3.92Å; F91-W338 HydrophobicContact CD1-CE3 4.13Å; F91-W338 AromaticContact CD2-CE3 3.42Å; F91-W338 HydrophobicContact CD2-CE3 3.42Å; F91-W338 VanDerWaalsContact CD2-CE3 3.42Å; F91-W338 AromaticContact CD2-CZ3 3.74Å; F91-W338 HydrophobicContact CD2-CZ3 3.74Å; F91-W338 HydrophobicContact CE1-CB 3.67Å; F91-W338 HydrophobicContact CE1-CE3 4.23Å; F91-W338 HydrophobicContact CE1-CG 4.42Å; F91-W338 HydrophobicContact CE2-CD2 4.32Å; F91-W338 AromaticContact CE2-CE3 3.52Å; F91-W338 HydrophobicContact CE2-CE3 3.52Å; F91-W338 AromaticContact CE2-CZ3 3.92Å; F91-W338 HydrophobicContact CE2-CZ3 3.92Å; F91-W338 AromaticContact CG-CE3 3.72Å; F91-W338 HydrophobicContact CG-CE3 3.72Å; F91-W338 HydrophobicContact CG-CZ3 4.38Å; F91-W338 HydrophobicContact CZ-CB 4.18Å; F91-W338 HydrophobicContact CZ-CD2 4.35Å; F91-W338 AromaticContact CZ-CE3 3.93Å; F91-W338 HydrophobicContact CZ-CE3 3.93Å; F91-W338 HydrophobicContact CZ-CG 4.48Å
92	Y	98.3	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.2	175	-68.5	-94.3	0	0	0	108.6	G65 E66 W67 T85 S86 Q87 H90 E336 L337	G65-Y92 VanDerWaalsContact C-CE1 3.44Å; G65-Y92 VanDerWaalsContact CA-CE1 3.48Å; G65-Y92 WeakPolarHBondContact O-CD1 3.4Å; E66-Y92 WeakPolarHBondContact O-CE1 3.48Å; W67-Y92 HydrophobicContact CD2-CD1 4.3Å; W67-Y92 AromaticContact CE2-CD1 3.84Å; W67-Y92 VanDerWaalsContact CZ2-CB 3.49Å; W67-Y92 HydrophobicContact CZ2-CD1 4.18Å; W67-Y92 HydrophobicContact CZ2-CG 4.17Å; W67-Y92 AromaticContact NE1-CD1 3.78Å; T85-Y92 VanDerWaalsContact CB-CZ 3.46Å; T85-Y92 HydrophobicContact CG2-CD1 3.71Å; T85-Y92 HydrophobicContact CG2-CD2 3.79Å; T85-Y92 HydrophobicContact CG2-CE1 3.78Å; T85-Y92 HydrophobicContact CG2-CE2 3.9Å; T85-Y92 HydrophobicContact CG2-CG 3.7Å; S86-Y92 PolarHBondContact N-OH 2.92Å; Q87-Y92 VanDerWaalsContact C-OH 3.28Å; Q87-Y92 WeakPolarHBondContact CA-OH 3.41Å; Q87-Y92 PolarHBondContact N-OH 2.79Å; Q87-Y92 PolarHBondContact O-OH 3.08Å; H90-Y92 HydrophobicContact CB-CD2 4.42Å; H90-Y92 HydrophobicContact CB-CE2 3.77Å; H90-Y92 WeakPolarHBondContact O-CD2 3.38Å; H90-Y92 WeakPolarHBondContact O-CE2 3.23Å; Y92-E336 CarbonylContact O-C 3.58Å; Y92-E336 WeakPolarHBondContact O-CA 3.4Å; Y92-L337 HydrophobicContact CD2-CD1 4.21Å; Y92-L337 PolarHBondContact N-O 3.05Å; Y92-L337 PolarHBondContact O-N 3.09Å
93	A	98.3	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	114	174	0	0	0	0	0	109.7	S58 Y64 F140 I335 E336	S58-A93 PolarHBondContact N-O 3Å; Y64-A93 HydrophobicContact CD2-CB 3.9Å; Y64-A93 HydrophobicContact CE1-CB 4.36Å; Y64-A93 HydrophobicContact CE2-CB 3.6Å; Y64-A93 HydrophobicContact CG-CB 4.39Å; A93-F140 HydrophobicContact CB-CD1 4.13Å; A93-I335 WeakPolarHBondContact CA-O 3.43Å; A93-E336 HydrophobicContact CB-CB 4.45Å; A93-E336 HydrophobicContact CB-CG 4.09Å
94	I	98	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142	176	-161.7	171.3	0	0	0	110.1	W51 W55 V56 W67 L83 F140 G334 I335	W51-I94 HydrophobicContact CZ3-CD1 3.8Å; W55-I94 HydrophobicContact CB-CD1 3.69Å; W55-I94 HydrophobicContact CB-CG1 4.01Å; W55-I94 HydrophobicContact CE3-CD1 4.4Å; W55-I94 HydrophobicContact CE3-CG1 4.07Å; W55-I94 HydrophobicContact CE3-CG2 4.19Å; W55-I94 HydrophobicContact CG-CD1 4.44Å; W55-I94 HydrophobicContact CZ3-CG2 4.39Å; V56-I94 WeakPolarHBondContact O-CA 3.22Å; V56-I94 WeakPolarHBondContact O-CG1 3.39Å; W67-I94 HydrophobicContact CB-CD1 4.05Å; W67-I94 HydrophobicContact CD2-CB 4.32Å; W67-I94 HydrophobicContact CD2-CD1 4.27Å; W67-I94 HydrophobicContact CD2-CG2 3.9Å; W67-I94 HydrophobicContact CE3-CG2 4.45Å; W67-I94 HydrophobicContact CG-CB 4.33Å; W67-I94 HydrophobicContact CG-CD1 3.8Å; W67-I94 HydrophobicContact CG-CG2 4.39Å; W67-I94 HydrophobicContact CH2-CG2 4.1Å; W67-I94 HydrophobicContact CZ2-CB 4.24Å; W67-I94 HydrophobicContact CZ2-CG2 3.47Å; W67-I94 VanDerWaalsContact CZ2-CG2 3.47Å; L83-I94 HydrophobicContact CD2-CD1 4.39Å; I94-F140 WeakPolarHBondContact O-CE1 3.46Å; I94-G334 CarbonylContact O-C 3.51Å; I94-G334 WeakPolarHBondContact O-CA 3.38Å; I94-I335 HydrophobicContact CG2-CB 4.07Å; I94-I335 HydrophobicContact CG2-CD1 4.39Å; I94-I335 PolarHBondContact N-O 2.83Å; I94-I335 PolarHBondContact O-N 3.04Å
95	S	97.6	Very high	95.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.5	-178.9	62.1	0	0	0	0	112.5	W55 V56 L137 I333	W55-S95 CarbonylContact C-O 3.59Å; W55-S95 WeakPolarHBondContact CA-O 3.33Å; V56-S95 PolarHBondContact N-O 3.42Å; V56-S95 PolarHBondContact O-N 3.33Å; S95-L137 WeakPolarHBondContact OG-CB 3.25Å; S95-L137 WeakPolarHBondContact OG-CD2 3.43Å; S95-I333 CarbonylContact C-O 3.56Å; S95-I333 VanDerWaalsContact CA-O 3.24Å; S95-I333 WeakPolarHBondContact CA-O 3.31Å; S95-I333 WeakPolarHBondContact CB-O 3.38Å
96	R	95.4	Very high	95.1	Very high	11 Å²	11	54.8 Å²	54.8	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.5	173.5	66.8	160.8	-67.9	-151.8	-5.3	111.8	L42 R54 W55 D99 T332 I333	L42-R96 VanDerWaalsContact CB-NH1 3.34Å; R54-R96 WeakPolarHBondContact O-CB 3.19Å; W55-R96 HydrophobicContact CD2-CB 3.98Å; W55-R96 HydrophobicContact CD2-CG 3.86Å; W55-R96 VanDerWaalsContact CE2-CD 3.49Å; W55-R96 HydrophobicContact CE3-CB 4Å; W55-R96 HydrophobicContact CE3-CG 3.87Å; W55-R96 HydrophobicContact CG-CB 4.36Å; W55-R96 HydrophobicContact CH2-CG 3.9Å; W55-R96 HydrophobicContact CZ2-CG 3.86Å; W55-R96 HydrophobicContact CZ3-CB 4.45Å; W55-R96 HydrophobicContact CZ3-CG 3.91Å; R96-D99 IonicContact CZ-OD1 2.64Å; R96-D99 IonicContact NH2-OD1 3.63Å; R96-D99 PolarHBondContact NH2-OD1 3.41Å; R96-T332 WeakPolarHBondContact O-CA 3.36Å; R96-T332 WeakPolarHBondContact O-CG2 3.43Å; R96-I333 HydrophobicContact CG-CG2 3.59Å; R96-I333 PolarHBondContact N-O 3.02Å; R96-I333 PolarHBondContact O-N 3.3Å
97	K	95	Very high	95	Very high	116 Å²	116	54.3 Å²	54.3	50%	0.504	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.8	165	-67.5	-177.7	-177.3	178.9	0	110.2	L137 D331	K97-L137 HydrophobicContact CG-CD1 4.22Å; K97-D331 CarbonylContact C-O 3.53Å; K97-D331 WeakPolarHBondContact CA-O 3.29Å
98	L	93.1	Very high	95	Very high	12 Å²	12	53 Å²	53	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.9	165.7	-57.5	-178.9	0	0	0	109.1	L42 K100 I102 L130 D331 I333 I351	L42-L98 HydrophobicContact CD1-CD2 3.6Å; L42-L98 HydrophobicContact CD2-CD2 3.83Å; L42-L98 HydrophobicContact CG-CD2 4.38Å; L98-K100 WeakPolarHBondContact CB-O 3.45Å; L98-K100 PolarHBondContact O-N 3.32Å; L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 3.81Å; L98-L130 HydrophobicContact CD1-CD2 4.49Å; L98-D331 WeakPolarHBondContact CB-O 3.46Å; L98-D331 WeakPolarHBondContact CG-O 3.42Å; L98-D331 PolarHBondContact N-O 2.91Å; L98-I333 HydrophobicContact CD2-CB 4.14Å; L98-I333 HydrophobicContact CD2-CG2 3.81Å; L98-I351 HydrophobicContact CD1-CD1 3.78Å; L98-I351 HydrophobicContact CD2-CD1 3.71Å; L98-I351 HydrophobicContact CG-CD1 4.43Å
99	D	89.7	Confident	95.1	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-28.9	178.4	-57.4	-17.5	0	0	0	110.8	R96	R96-D99 IonicContact CZ-OD1 2.64Å; R96-D99 IonicContact NH2-OD1 3.63Å; R96-D99 PolarHBondContact NH2-OD1 3.41Å
100	K	89.6	Confident	95.2	Very high	131 Å²	131	46 Å²	46	57%	0.57	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.1	175.3	-66	179.4	-176.6	174.6	0	110.2	F38 Q40 L98	F38-K100 HydrophobicContact CD2-CD 4.36Å; F38-K100 HydrophobicContact CE2-CB 3.67Å; F38-K100 HydrophobicContact CE2-CD 4.08Å; F38-K100 HydrophobicContact CZ-CB 4.34Å; Q40-K100 PolarHBondContact NE2-O 2.86Å; L98-K100 WeakPolarHBondContact CB-O 3.45Å; L98-K100 PolarHBondContact O-N 3.32Å
101	P	92.7	Very high	95.2	Very high	60 Å²	60	43.4 Å²	43.4	39%	0.39	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.5	170.5	-22.6	33.1	0	0	0	111.7	V330 D331	P101-V330 CarbonylContact C-O 3.51Å; P101-V330 WeakPolarHBondContact CA-O 3.43Å; P101-D331 HydrophobicContact CB-CB 3.94Å; P101-D331 HydrophobicContact CG-CB 3.92Å
102	I	93.5	Very high	95.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.8	174.5	-58.6	171.9	0	0	0	109.3	L98 N104 L109 L130 D329 V330 I351	L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 3.81Å; I102-N104 HydrophobicContact CG2-CB 4.43Å; I102-L109 HydrophobicContact CD1-CD1 4.1Å; I102-L109 HydrophobicContact CG2-CD1 3.87Å; I102-L109 HydrophobicContact CG2-CD2 4.15Å; I102-L130 HydrophobicContact CD1-CD1 4.17Å; I102-L130 HydrophobicContact CD1-CD2 4.29Å; I102-D329 PolarHBondContact O-N 3.41Å; I102-V330 HydrophobicContact CB-CB 4.17Å; I102-V330 HydrophobicContact CD1-CB 4.39Å; I102-V330 HydrophobicContact CD1-CG1 3.99Å; I102-V330 PolarHBondContact N-O 3.28Å; I102-I351 HydrophobicContact CD1-CD1 4.06Å; I102-I351 HydrophobicContact CD1-CG2 4.07Å; I102-I351 HydrophobicContact CG1-CG2 4.34Å
103	N	91.8	Very high	95.2	Very high	98 Å²	98	38.9 Å²	38.9	52%	0.524	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	94	169.4	-170.5	-11.5	0	0	0	108.8	Y327 R328	N103-Y327 WeakPolarHBondContact CA-O 3.34Å; N103-R328 PolarHBondContact OD1-NH1 2.81Å
104	N	94.7	Very high	95.1	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.196	C	C	.	.			trans	-106.6	30.6	-167.4	74.1	-53.6	0	0	0	113.6	I102 D106 L109 H325 Y327	I102-N104 HydrophobicContact CG2-CB 4.43Å; N104-D106 VanDerWaalsContact C-N 3.3Å; N104-D106 PolarHBondContact O-N 2.77Å; N104-L109 HydrophobicContact CB-CB 3.81Å; N104-L109 WeakPolarHBondContact ND2-CB 2.94Å; N104-H325 PolarHBondContact ND2-O 3.08Å; N104-H325 PolarHBondContact OD1-O 3.3Å; N104-Y327 PolarHBondContact N-O 3.08Å; N104-Y327 WeakPolarHBondContact OD1-CA 3.32Å; N104-Y327 WeakPolarHBondContact OD1-CB 3.34Å; N104-Y327 PolarHBondContact OD1-N 3.47Å; N104-Y327 PolarHBondContact OD1-O 3.3Å
105	R	93.7	Very high	95.1	Very high	82 Å²	82	39 Å²	39	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-44.2	-176.2	-174.1	-177.2	-166	69	3.2	113.4	D323 H325 V326	R105-D323 IonicContact CZ-OD1 3.33Å; R105-D323 IonicContact CZ-OD2 3.45Å; R105-D323 VanDerWaalsContact CZ-OD2 3.25Å; R105-D323 VanDerWaalsContact NH1-CG 3.34Å; R105-D323 IonicContact NH1-OD1 2.86Å; R105-D323 IonicContact NH1-OD2 2.7Å; R105-D323 PolarHBondContact NH1-OD2 3.36Å; R105-D323 IonicContact NH2-OD1 3.25Å; R105-D323 PolarHBondContact NH2-OD1 2.72Å; R105-D323 IonicContact NH2-OD2 3.7Å; R105-D323 PolarHBondContact NH2-OD2 3.37Å; R105-H325 PolarHBondContact O-NE2 2.95Å; R105-H325 VanDerWaalsContact O-NE2 3.1Å; R105-V326 HydrophobicContact CB-CG1 4.25Å; R105-V326 HydrophobicContact CB-CG2 4.49Å; R105-V326 HydrophobicContact CG-CG2 4.2Å
106	D	93.6	Very high	95.1	Very high	130 Å²	130	40 Å²	40	70%	0.695	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	12.1	-171.4	-52.4	-63.6	0	0	0	112.2	N104	N104-D106 VanDerWaalsContact C-N 3.3Å; N104-D106 PolarHBondContact O-N 2.77Å
107	T	95.2	Very high	95.1	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.16	20%	0.198	C	C	.	.	S	Bend	trans	-141.4	153.1	-175.1	60.1	0	0	0	0	110.5	K37	K37-T107 HydrophobicContact CD-CG2 3.95Å
108	P	97.3	Very high	95	Very high	32 Å²	32	34.9 Å²	34.9	21%	0.208	18%	0.178	C	C	.	.			trans	-56.7	150.1	169.1	-20.6	32.9	0	0	0	111.2	I110 I195 Y196 D353	P108-I110 HydrophobicContact CB-CD1 4.24Å; P108-I110 HydrophobicContact CB-CG1 4.27Å; P108-I195 CarbonylContact C-O 3.56Å; P108-I195 WeakPolarHBondContact CA-O 3.46Å; P108-Y196 HydrophobicContact CB-CD1 3.83Å; P108-Y196 HydrophobicContact CB-CE1 4Å; P108-Y196 HydrophobicContact CG-CD1 3.77Å; P108-Y196 HydrophobicContact CG-CE1 4.02Å; P108-D353 WeakPolarHBondContact CB-O 3.4Å; P108-D353 WeakPolarHBondContact CD-O 3.36Å; P108-D353 WeakPolarHBondContact CG-O 3.19Å; P108-D353 WeakPolarHBondContact O-CA 3.47Å; P108-D353 VanDerWaalsContact O-CB 3.28Å; P108-D353 WeakPolarHBondContact O-CB 3.42Å
109	L	97.7	Very high	95	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.3	162.5	169.9	59.6	0	0	0	107.7	I102 N104 I111 I148 A194 I195 Y327 I351	I102-L109 HydrophobicContact CD1-CD1 4.1Å; I102-L109 HydrophobicContact CG2-CD1 3.87Å; I102-L109 HydrophobicContact CG2-CD2 4.15Å; N104-L109 HydrophobicContact CB-CB 3.81Å; N104-L109 WeakPolarHBondContact ND2-CB 2.94Å; L109-I111 HydrophobicContact CD1-CG1 4.07Å; L109-I111 HydrophobicContact CD2-CD1 4.2Å; L109-I111 HydrophobicContact CG-CD1 4.19Å; L109-I111 HydrophobicContact CG-CG1 4.16Å; L109-I148 HydrophobicContact CD2-CD1 3.95Å; L109-A194 CarbonylContact O-C 3.52Å; L109-A194 WeakPolarHBondContact O-CA 3.49Å; L109-I195 PolarHBondContact N-O 3.48Å; L109-I195 PolarHBondContact O-N 3.37Å; L109-Y327 HydrophobicContact CD2-CD2 3.76Å; L109-Y327 HydrophobicContact CD2-CE2 4.38Å; L109-Y327 HydrophobicContact CD2-CG 4.22Å; L109-I351 HydrophobicContact CD1-CG2 3.77Å
110	I	98	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120	-179.9	-59.7	162	0	0	0	107.9	P108 L193 A194 I351 T352 M355 A358	P108-I110 HydrophobicContact CB-CD1 4.24Å; P108-I110 HydrophobicContact CB-CG1 4.27Å; I110-L193 WeakPolarHBondContact CA-O 3.46Å; I110-A194 HydrophobicContact CG1-CB 3.9Å; I110-I351 CarbonylContact O-C 3.59Å; I110-I351 VanDerWaalsContact O-CA 3.31Å; I110-I351 WeakPolarHBondContact O-CA 3.4Å; I110-T352 WeakPolarHBondContact CA-O 3.29Å; I110-T352 HydrophobicContact CB-CG2 3.83Å; I110-T352 WeakPolarHBondContact CB-O 3.41Å; I110-T352 HydrophobicContact CD1-CG2 4.36Å; I110-T352 HydrophobicContact CG2-CG2 3.99Å; I110-T352 PolarHBondContact N-O 3.14Å; I110-T352 PolarHBondContact O-N 3Å; I110-M355 VanDerWaalsContact CD1-CA 3.45Å; I110-M355 HydrophobicContact CD1-CB 3.71Å; I110-M355 HydrophobicContact CD1-CE 4.27Å; I110-M355 HydrophobicContact CG1-CE 4.26Å; I110-M355 HydrophobicContact CG2-CE 4.08Å; I110-A358 HydrophobicContact CG2-CB 4.19Å
111	I	98	Very high	95.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.5	179.2	-57	152.5	0	0	0	106.1	L109 I128 L130 I148 K192 L193	L109-I111 HydrophobicContact CD1-CG1 4.07Å; L109-I111 HydrophobicContact CD2-CD1 4.2Å; L109-I111 HydrophobicContact CG-CD1 4.19Å; L109-I111 HydrophobicContact CG-CG1 4.16Å; I111-I128 HydrophobicContact CG2-CD1 3.51Å; I111-L130 HydrophobicContact CD1-CD1 3.28Å; I111-L130 HydrophobicContact CG1-CD1 3.81Å; I111-I148 HydrophobicContact CD1-CD1 3.66Å; I111-I148 HydrophobicContact CD1-CG2 4.27Å; I111-K192 CarbonylContact O-C 3.57Å; I111-K192 VanDerWaalsContact O-CA 3.3Å; I111-K192 WeakPolarHBondContact O-CA 3.47Å; I111-L193 PolarHBondContact N-O 2.77Å; I111-L193 PolarHBondContact O-N 2.81Å
112	A	97.9	Very high	95.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.3	-177.3	0	0	0	0	0	111.3	Y191 K192 L350 F362	A112-Y191 VanDerWaalsContact CA-O 3.23Å; A112-Y191 WeakPolarHBondContact CA-O 3.5Å; A112-K192 HydrophobicContact CB-CB 3.92Å; A112-K192 HydrophobicContact CB-CD 4.15Å; A112-K192 HydrophobicContact CB-CG 3.75Å; A112-L350 PolarHBondContact N-O 3.38Å; A112-L350 PolarHBondContact O-N 3.1Å; A112-L350 VanDerWaalsContact O-O 3.1Å; A112-F362 HydrophobicContact CB-CD2 4.47Å; A112-F362 HydrophobicContact CB-CE2 3.46Å; A112-F362 VanDerWaalsContact CB-CE2 3.46Å; A112-F362 HydrophobicContact CB-CZ 3.95Å
113	Y	97.9	Very high	95.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	163.8	177.7	69.8	-64.5	0	0	0	109.9	V115 G126 Y127 I128 F150 G151 P152 V190 Y191 F346 L349	Y113-V115 HydrophobicContact CD2-CG2 3.63Å; Y113-V115 HydrophobicContact CE2-CG2 3.11Å; Y113-G126 WeakPolarHBondContact CE2-O 3.36Å; Y113-G126 PolarHBondContact OH-O 3.1Å; Y113-Y127 WeakPolarHBondContact OH-CA 3.3Å; Y113-I128 HydrophobicContact CD1-CD1 3.77Å; Y113-I128 HydrophobicContact CD1-CG1 4.19Å; Y113-I128 HydrophobicContact CD2-CG2 4.1Å; Y113-I128 HydrophobicContact CE1-CD1 3.86Å; Y113-I128 HydrophobicContact CE1-CG1 3.78Å; Y113-I128 HydrophobicContact CE1-CG2 4.46Å; Y113-I128 HydrophobicContact CE2-CG2 3.8Å; Y113-I128 HydrophobicContact CG-CD1 4.37Å; Y113-F150 HydrophobicContact CE1-CD1 4.07Å; Y113-F150 HydrophobicContact CE1-CE1 4.17Å; Y113-F150 PolarHBondContact OH-O 3.15Å; Y113-G151 WeakPolarHBondContact OH-CA 3.49Å; Y113-P152 WeakPolarHBondContact OH-CD 3.28Å; Y113-V190 WeakPolarHBondContact O-CA 3.44Å; Y113-Y191 PolarHBondContact N-O 2.98Å; Y113-Y191 VanDerWaalsContact N-O 3.07Å; Y113-Y191 PolarHBondContact O-N 3.41Å; Y113-F346 HydrophobicContact CD2-CD1 4.35Å; Y113-F346 HydrophobicContact CE2-CD1 4.02Å; Y113-F346 HydrophobicContact CE2-CE1 4.39Å; Y113-L349 HydrophobicContact CD2-CD2 4.25Å; Y113-L349 HydrophobicContact CG-CD2 4.03Å
114	S	97.6	Very high	95.4	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.3	173.4	59	0	0	0	0	111.2	H189 D347 N348	S114-H189 CarbonylContact C-O 3.59Å; S114-H189 WeakPolarHBondContact CA-O 3.33Å; S114-D347 PolarHBondContact N-O 3.06Å; S114-D347 PolarHBondContact O-N 3.31Å; S114-D347 PolarHBondContact OG-O 2.87Å; S114-D347 VanDerWaalsContact OG-O 3.11Å; S114-N348 PolarHBondContact OG-ND2 3.04Å
115	V	97.4	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.7	172.5	-172.9	0	0	0	0	108.8	Y113 F117 P152 H189 Y191 T344 I345 F346	Y113-V115 HydrophobicContact CD2-CG2 3.63Å; Y113-V115 HydrophobicContact CE2-CG2 3.11Å; V115-F117 HydrophobicContact CG1-CD1 4.13Å; V115-F117 HydrophobicContact CG1-CD2 4.4Å; V115-F117 HydrophobicContact CG1-CE1 3.65Å; V115-F117 HydrophobicContact CG1-CE2 3.94Å; V115-F117 HydrophobicContact CG1-CG 4.49Å; V115-F117 HydrophobicContact CG1-CZ 3.55Å; V115-P152 HydrophobicContact CG2-CG 4.5Å; V115-H189 PolarHBondContact N-O 2.76Å; V115-H189 PolarHBondContact O-N 3.01Å; V115-Y191 HydrophobicContact CB-CD2 4.42Å; V115-Y191 HydrophobicContact CB-CE2 4.07Å; V115-Y191 HydrophobicContact CG2-CD2 4.09Å; V115-Y191 HydrophobicContact CG2-CE2 4.17Å; V115-T344 HydrophobicContact CG1-CG2 3.56Å; V115-I345 CarbonylContact C-O 3.51Å; V115-I345 WeakPolarHBondContact CA-O 3.16Å; V115-F346 HydrophobicContact CG2-CD1 4.22Å; V115-F346 HydrophobicContact CG2-CE1 4.37Å
116	R	96.8	Very high	95.6	Very high	19 Å²	19	21.8 Å²	21.8	7%	0.072	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.6	170.3	-173.4	-171	-58.9	168.9	-2.6	109.9	H71 L74 E118 E186 T188 T344 I345 E373	H71-R116 PolarHBondContact O-NH1 3.11Å; L74-R116 PolarHBondContact O-NH1 3.46Å; L74-R116 PolarHBondContact O-NH2 3.25Å; R116-E118 HydrophobicContact CG-CB 4.31Å; R116-E118 IonicContact NH1-OE2 2.66Å; R116-E118 PolarHBondContact O-N 2.88Å; R116-E186 WeakPolarHBondContact CG-O 3.47Å; R116-T188 PolarHBondContact NE-OG1 2.92Å; R116-T188 PolarHBondContact NH2-OG1 2.86Å; R116-T344 CarbonylContact O-C 3.33Å; R116-T344 WeakPolarHBondContact O-CA 3.39Å; R116-I345 HydrophobicContact CB-CB 4.32Å; R116-I345 PolarHBondContact N-O 3.43Å; R116-I345 PolarHBondContact O-N 3.1Å; R116-E373 IonicContact CZ-OE1 3.1Å; R116-E373 IonicContact NE-OE1 3.8Å; R116-E373 PolarHBondContact NE-OE1 3.21Å; R116-E373 IonicContact NH2-OE1 3.37Å; R116-E373 PolarHBondContact NH2-OE1 2.9Å
117	F	96.5	Very high	95.8	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.092	C	C	.	.			trans	-98.1	58.8	178.4	-59.6	-67.4	0	0	0	111.8	V115 Q119 D120 I121 P152 I154 M183 E186 T344	V115-F117 HydrophobicContact CG1-CD1 4.13Å; V115-F117 HydrophobicContact CG1-CD2 4.4Å; V115-F117 HydrophobicContact CG1-CE1 3.65Å; V115-F117 HydrophobicContact CG1-CE2 3.94Å; V115-F117 HydrophobicContact CG1-CG 4.49Å; V115-F117 HydrophobicContact CG1-CZ 3.55Å; F117-Q119 PolarHBondContact O-N 3.08Å; F117-D120 PolarHBondContact O-N 2.81Å; F117-D120 VanDerWaalsContact O-N 3.12Å; F117-I121 HydrophobicContact CB-CB 3.96Å; F117-I121 HydrophobicContact CB-CG2 3.6Å; F117-I121 HydrophobicContact CD1-CB 4.04Å; F117-I121 HydrophobicContact CD1-CD1 3.49Å; F117-I121 VanDerWaalsContact CD1-CD1 3.49Å; F117-I121 HydrophobicContact CD1-CG1 4.36Å; F117-I121 HydrophobicContact CD1-CG2 3.84Å; F117-I121 HydrophobicContact CD2-CG2 4.14Å; F117-I121 HydrophobicContact CE1-CD1 3.59Å; F117-I121 HydrophobicContact CG-CB 4.17Å; F117-I121 HydrophobicContact CG-CD1 4.37Å; F117-I121 HydrophobicContact CG-CG2 3.61Å; F117-P152 HydrophobicContact CE2-CB 4.38Å; F117-P152 HydrophobicContact CE2-CG 4.15Å; F117-P152 HydrophobicContact CZ-CB 4.11Å; F117-P152 HydrophobicContact CZ-CG 3.71Å; F117-I154 HydrophobicContact CD2-CD1 3.87Å; F117-I154 HydrophobicContact CE1-CD1 4.31Å; F117-I154 HydrophobicContact CE2-CD1 3.44Å; F117-I154 VanDerWaalsContact CE2-CD1 3.44Å; F117-I154 HydrophobicContact CG-CD1 4.46Å; F117-I154 HydrophobicContact CZ-CD1 3.68Å; F117-M183 WeakPolarHBondContact CD2-O 3.38Å; F117-M183 VanDerWaalsContact CE2-O 3.29Å; F117-M183 WeakPolarHBondContact CE2-O 3.46Å; F117-E186 WeakPolarHBondContact O-CA 3.07Å; F117-T344 HydrophobicContact CD1-CG2 3.62Å; F117-T344 WeakPolarHBondContact CD1-OG1 3.25Å; F117-T344 HydrophobicContact CE1-CG2 3.66Å
118	E	92.3	Very high	96	Very high	20 Å²	20	15.9 Å²	15.9	9%	0.093	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.5	-170.8	-163.2	-176.4	117.2	0	0	115	G72 K73 R116 D120	G72-E118 VanDerWaalsContact C-OE2 3.32Å; G72-E118 WeakPolarHBondContact CA-OE2 3.2Å; K73-E118 HydrophobicContact CB-CG 4.5Å; K73-E118 WeakPolarHBondContact CB-OE1 3.31Å; K73-E118 HydrophobicContact CD-CG 4.01Å; K73-E118 WeakPolarHBondContact CD-OE1 3.33Å; K73-E118 WeakPolarHBondContact CE-OE1 3.37Å; K73-E118 WeakPolarHBondContact CG-OE1 3.33Å; K73-E118 PolarHBondContact N-OE1 3.07Å; K73-E118 PolarHBondContact N-OE2 2.76Å; K73-E118 PolarHBondContact NZ-O 2.85Å; K73-E118 IonicContact NZ-OE1 3.44Å; R116-E118 HydrophobicContact CG-CB 4.31Å; R116-E118 IonicContact NH1-OE2 2.66Å; R116-E118 PolarHBondContact O-N 2.88Å; E118-D120 VanDerWaalsContact C-N 3.31Å
119	Q	92.7	Very high	96	Very high	30 Å²	30	14.6 Å²	14.6	14%	0.14	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.1	-180	78.9	-79	13.6	0	0	114.4	F117 K341 S342 G343 T344	F117-Q119 PolarHBondContact O-N 3.08Å; Q119-K341 HydrophobicContact CB-CB 4.43Å; Q119-K341 HydrophobicContact CG-CB 3.65Å; Q119-K341 PolarHBondContact NE2-O 3.33Å; Q119-S342 WeakPolarHBondContact CB-O 3.3Å; Q119-S342 WeakPolarHBondContact CG-O 3.46Å; Q119-G343 VanDerWaalsContact OE1-C 3.26Å; Q119-T344 PolarHBondContact NE2-OG1 3.44Å; Q119-T344 PolarHBondContact OE1-OG1 3.32Å
120	D	90.3	Very high	96	Very high	89 Å²	89	14.5 Å²	14.5	48%	0.476	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	71.7	-170.9	178.2	45.9	0	0	0	109.9	F117 E118 D122 E186 K341	F117-D120 PolarHBondContact O-N 2.81Å; F117-D120 VanDerWaalsContact O-N 3.12Å; E118-D120 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.11Å; D120-E186 HydrophobicContact CB-CG 4.36Å; D120-K341 PolarHBondContact O-NZ 2.58Å; D120-K341 IonicContact OD2-NZ 3.59Å
121	I	92.4	Very high	96	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.036	8%	0.075	C	C	.	.			trans	-59.9	127.4	-170.5	-168.9	166.7	0	0	0	111.1	F117 I154	F117-I121 HydrophobicContact CB-CB 3.96Å; F117-I121 HydrophobicContact CB-CG2 3.6Å; F117-I121 HydrophobicContact CD1-CB 4.04Å; F117-I121 HydrophobicContact CD1-CD1 3.49Å; F117-I121 VanDerWaalsContact CD1-CD1 3.49Å; F117-I121 HydrophobicContact CD1-CG1 4.36Å; F117-I121 HydrophobicContact CD1-CG2 3.84Å; F117-I121 HydrophobicContact CD2-CG2 4.14Å; F117-I121 HydrophobicContact CE1-CD1 3.59Å; F117-I121 HydrophobicContact CG-CB 4.17Å; F117-I121 HydrophobicContact CG-CD1 4.37Å; F117-I121 HydrophobicContact CG-CG2 3.61Å; I121-I154 HydrophobicContact CG2-CB 4.36Å; I121-I154 HydrophobicContact CG2-CD1 3.66Å; I121-I154 HydrophobicContact CG2-CG2 4.09Å
122	D	91.4	Very high	95.9	Very high	60 Å²	60	17.4 Å²	17.4	32%	0.321	9%	0.091	S	C	.	.	S	Bend	trans	-100.7	-46.8	177.9	59.8	-22	0	0	0	111.7	D120 G156 V340 K341	D120-D122 PolarHBondContact O-N 3.11Å; D122-G156 PolarHBondContact O-N 2.86Å; D122-V340 WeakPolarHBondContact OD2-CG1 3.39Å; D122-K341 WeakPolarHBondContact OD1-CG 3.13Å
123	C	95.7	Very high	95.8	Very high	29 Å²	29	23.5 Å²	23.5	20%	0.196	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	121.2	170.6	-173.2	0	0	0	0	111.6	I154 C155 V340	C123-I154 CarbonylContact C-O 3.6Å; C123-I154 WeakPolarHBondContact CA-O 3.36Å; C123-C155 HydrophobicContact CB-CB 4Å; C123-C155 WeakPolarHBondContact CB-SG 3.37Å; C123-C155 WeakPolarHBondContact SG-CB 3.39Å; C123-C155 CovalentContact SG-SG 2.07Å; C123-C155 PolarHBondContact SG-SG 3.34Å; C123-V340 HydrophobicContact CB-CG2 3.93Å; C123-V340 WeakPolarHBondContact O-CB 2.89Å; C123-V340 WeakPolarHBondContact O-CG2 3.18Å; C123-V340 PolarHBondContact O-N 3.1Å
124	G	95.9	Very high	95.7	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	163.1	174.5	0	0	0	0	0	114	I154 W338	G124-I154 PolarHBondContact N-O 3.2Å; G124-I154 PolarHBondContact O-N 2.92Å; G124-I154 VanDerWaalsContact O-N 3.1Å; G124-W338 CarbonylContact C-O 3.49Å; G124-W338 WeakPolarHBondContact CA-O 3.12Å
125	G	95.3	Very high	95.6	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	155.2	177.5	0	0	0	0	0	112.6	W338 Q339	G125-W338 PolarHBondContact N-O 2.95Å; G125-Q339 PolarHBondContact O-NE2 2.84Å
126	G	97.1	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-136.7	20.5	167.4	0	0	0	0	0	112.1	Y113 P152 F346	Y113-G126 WeakPolarHBondContact CE2-O 3.36Å; Y113-G126 PolarHBondContact OH-O 3.1Å; G126-P152 CarbonylContact C-O 3.54Å; G126-P152 VanDerWaalsContact CA-O 3.31Å; G126-P152 WeakPolarHBondContact CA-O 2.98Å; G126-P152 PolarHBondContact N-O 2.81Å; G126-P152 WeakPolarHBondContact O-CD 3.35Å; G126-F346 WeakPolarHBondContact O-CE1 3.22Å
127	Y	98.4	Very high	95.7	Very high	29 Å²	29	31.9 Å²	31.9	11%	0.114	18%	0.18	C	C	.	.			trans	-91.2	160.2	-177.4	56.2	-99.8	0	0	0	113.6	Y113 M149 F150 P152 D153 E336	Y113-Y127 WeakPolarHBondContact OH-CA 3.3Å; Y127-M149 HydrophobicContact CD2-CG 3.67Å; Y127-M149 HydrophobicContact CD2-SD 3.85Å; Y127-M149 HydrophobicContact CE2-CE 4.14Å; Y127-M149 HydrophobicContact CE2-CG 4.21Å; Y127-M149 HydrophobicContact CE2-SD 3.85Å; Y127-M149 HydrophobicContact CG-CG 4.14Å; Y127-M149 HydrophobicContact CG-SD 4.31Å; Y127-F150 WeakPolarHBondContact CA-O 3.46Å; Y127-F150 WeakPolarHBondContact CB-O 3.39Å; Y127-P152 PolarHBondContact N-O 3.05Å; Y127-D153 HydrophobicContact CD1-CB 4.24Å; Y127-D153 HydrophobicContact CE1-CB 4.43Å; Y127-E336 WeakPolarHBondContact CE2-O 3.1Å; Y127-E336 PolarHBondContact OH-O 2.8Å
128	I	98.5	Very high	95.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	156.9	173.9	54.5	164.3	0	0	0	110	I111 Y113 M149 F150 I333 G334 I335 L349	I111-I128 HydrophobicContact CG2-CD1 3.51Å; Y113-I128 HydrophobicContact CD1-CD1 3.77Å; Y113-I128 HydrophobicContact CD1-CG1 4.19Å; Y113-I128 HydrophobicContact CD2-CG2 4.1Å; Y113-I128 HydrophobicContact CE1-CD1 3.86Å; Y113-I128 HydrophobicContact CE1-CG1 3.78Å; Y113-I128 HydrophobicContact CE1-CG2 4.46Å; Y113-I128 HydrophobicContact CE2-CG2 3.8Å; Y113-I128 HydrophobicContact CG-CD1 4.37Å; I128-M149 CarbonylContact O-C 3.59Å; I128-M149 VanDerWaalsContact O-CA 3.3Å; I128-M149 WeakPolarHBondContact O-CA 3.37Å; I128-F150 VanDerWaalsContact CG1-O 3.3Å; I128-F150 WeakPolarHBondContact CG1-O 3.37Å; I128-F150 PolarHBondContact N-O 2.69Å; I128-F150 PolarHBondContact O-N 3.07Å; I128-I333 HydrophobicContact CD1-CD1 4.04Å; I128-G334 CarbonylContact C-O 3.56Å; I128-I335 HydrophobicContact CG2-CG1 3.84Å; I128-L349 HydrophobicContact CD1-CD2 4.26Å; I128-L349 HydrophobicContact CG2-CD2 3.89Å
129	K	98.5	Very high	96	Very high	4 Å²	4	41 Å²	41	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.6	174.4	-57.2	-174.1	-161.6	-177.3	0	110	M131 F140 Y146 I148 M149 I333 G334 E336	K129-M131 HydrophobicContact CB-SD 3.98Å; K129-F140 HydrophobicContact CD-CZ 4.44Å; K129-Y146 HydrophobicContact CD-CD1 4Å; K129-Y146 HydrophobicContact CD-CG 4.28Å; K129-I148 CarbonylContact C-O 3.54Å; K129-I148 VanDerWaalsContact CA-O 3.28Å; K129-I148 WeakPolarHBondContact CA-O 3.24Å; K129-M149 HydrophobicContact CD-CE 3.9Å; K129-M149 HydrophobicContact CG-CB 4.19Å; K129-M149 HydrophobicContact CG-CE 4.25Å; K129-M149 HydrophobicContact CG-CG 4.07Å; K129-I333 CarbonylContact O-C 3.58Å; K129-I333 VanDerWaalsContact O-CA 3.3Å; K129-I333 WeakPolarHBondContact O-CA 3.16Å; K129-I333 WeakPolarHBondContact O-CG1 2.99Å; K129-G334 PolarHBondContact N-O 2.84Å; K129-G334 PolarHBondContact O-N 2.98Å; K129-E336 IonicContact NZ-OE2 3.82Å; K129-E336 PolarHBondContact NZ-OE2 2.83Å
130	L	98.2	Very high	96.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	132	167.5	-73	170.4	0	0	0	108.9	L98 I102 I111 Y146 R147 I148 V330 T332 I333 I351	L98-L130 HydrophobicContact CD1-CD2 4.49Å; I102-L130 HydrophobicContact CD1-CD1 4.17Å; I102-L130 HydrophobicContact CD1-CD2 4.29Å; I111-L130 HydrophobicContact CD1-CD1 3.28Å; I111-L130 HydrophobicContact CG1-CD1 3.81Å; L130-Y146 CarbonylContact O-C 3.48Å; L130-Y146 WeakPolarHBondContact O-CA 3.38Å; L130-Y146 WeakPolarHBondContact O-CB 3.48Å; L130-R147 PolarHBondContact O-N 2.72Å; L130-I148 HydrophobicContact CB-CB 4.25Å; L130-I148 HydrophobicContact CD1-CB 4.29Å; L130-I148 HydrophobicContact CD1-CD1 4.05Å; L130-I148 PolarHBondContact N-O 3.24Å; L130-I148 PolarHBondContact O-N 2.99Å; L130-V330 HydrophobicContact CB-CG1 3.84Å; L130-V330 HydrophobicContact CD2-CG1 4.45Å; L130-T332 CarbonylContact C-O 3.58Å; L130-T332 WeakPolarHBondContact CA-O 3.43Å; L130-I333 HydrophobicContact CD2-CB 3.83Å; L130-I333 HydrophobicContact CD2-CD1 4.17Å; L130-I333 HydrophobicContact CD2-CG1 3.94Å; L130-I351 HydrophobicContact CD2-CD1 3.92Å
131	M	97.9	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	159.2	-174.4	-48.8	86.8	76.2	0	0	111.5	K129 T135 F140 V330 D331 T332	K129-M131 HydrophobicContact CB-SD 3.98Å; M131-T135 HydrophobicContact CB-CG2 4.17Å; M131-T135 VanDerWaalsContact CB-OG1 3.3Å; M131-T135 WeakPolarHBondContact CB-OG1 3.47Å; M131-T135 HydrophobicContact CE-CG2 3.92Å; M131-F140 HydrophobicContact CE-CD2 3.78Å; M131-F140 HydrophobicContact CE-CE2 3.62Å; M131-F140 HydrophobicContact CE-CG 4.43Å; M131-F140 HydrophobicContact CE-CZ 4.14Å; M131-F140 HydrophobicContact SD-CE2 4.05Å; M131-F140 HydrophobicContact SD-CZ 4.44Å; M131-V330 WeakPolarHBondContact O-CG1 3.48Å; M131-D331 PolarHBondContact O-N 3.04Å; M131-T332 HydrophobicContact CE-CG2 3.26Å; M131-T332 PolarHBondContact N-O 3.01Å; M131-T332 PolarHBondContact O-N 2.84Å; M131-T332 HydrophobicContact SD-CG2 4.35Å
132	D	96	Very high	96.7	Very high	64 Å²	64	37.7 Å²	37.7	34%	0.342	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	157.8	180	-70	-43.3	0	0	0	112.3	G134 T135 R147	D132-G134 PolarHBondContact O-N 2.57Å; D132-T135 WeakPolarHBondContact O-CB 3.32Å; D132-T135 PolarHBondContact O-N 3.19Å; D132-T135 PolarHBondContact O-OG1 2.85Å; D132-R147 WeakPolarHBondContact OD1-CD 3.17Å; D132-R147 WeakPolarHBondContact OD1-CG 3.48Å; D132-R147 IonicContact OD1-NE 3.44Å; D132-R147 WeakPolarHBondContact OD2-CD 3.39Å
133	K	95.2	Very high	96.9	Very high	128 Å²	128	44.1 Å²	44.1	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	132.2	171.8	177.3	170.9	-177.8	-174.4	0	111.8	D329 D331	K133-D329 WeakPolarHBondContact CA-O 3.34Å; K133-D329 HydrophobicContact CB-CB 4.15Å; K133-D329 WeakPolarHBondContact CB-O 3.45Å; K133-D329 PolarHBondContact N-O 3.02Å; K133-D331 VanDerWaalsContact CA-OD1 3.25Å; K133-D331 WeakPolarHBondContact CA-OD1 3.43Å; K133-D331 HydrophobicContact CB-CB 4.4Å; K133-D331 WeakPolarHBondContact CG-OD2 3.11Å
134	G	94.6	Very high	97	Very high	67 Å²	67	43.6 Å²	43.6	69%	0.691	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	7.6	-177.9	0	0	0	0	0	113.9	D132 D136	D132-G134 PolarHBondContact O-N 2.57Å; G134-D136 PolarHBondContact O-N 3.4Å
135	T	96.8	Very high	97.1	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.147	27%	0.267	C	S	.	.			trans	-55.7	131.3	167.3	-64	0	0	0	0	110	M131 D132 L137 T144	M131-T135 HydrophobicContact CB-CG2 4.17Å; M131-T135 VanDerWaalsContact CB-OG1 3.3Å; M131-T135 WeakPolarHBondContact CB-OG1 3.47Å; M131-T135 HydrophobicContact CE-CG2 3.92Å; D132-T135 WeakPolarHBondContact O-CB 3.32Å; D132-T135 PolarHBondContact O-N 3.19Å; D132-T135 PolarHBondContact O-OG1 2.85Å; T135-L137 PolarHBondContact O-N 3.36Å; T135-T144 HydrophobicContact CG2-CG2 3.89Å
136	D	97.6	Very high	97.2	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	27%	0.27	S	S	.	.			trans	-77	117.2	173.4	-168.4	-22.7	0	0	0	109.3	G134 E138 E139 F140	G134-D136 PolarHBondContact O-N 3.4Å; D136-E138 PolarHBondContact OD1-N 3.46Å; D136-E139 HydrophobicContact CB-CB 4.09Å; D136-E139 PolarHBondContact OD1-N 2.95Å; D136-F140 PolarHBondContact O-N 2.81Å
137	L	97.4	Very high	97.2	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.099	28%	0.28	C	S	.	.	S	Bend	trans	-78.2	-28	-177	-51	-169.8	0	0	0	112.2	V56 S95 K97 T135 E139 T332	V56-L137 HydrophobicContact CB-CB 3.87Å; V56-L137 HydrophobicContact CB-CD1 4.12Å; V56-L137 HydrophobicContact CG1-CB 3.94Å; V56-L137 HydrophobicContact CG2-CB 4.27Å; V56-L137 HydrophobicContact CG2-CD1 3.79Å; S95-L137 WeakPolarHBondContact OG-CB 3.25Å; S95-L137 WeakPolarHBondContact OG-CD2 3.43Å; K97-L137 HydrophobicContact CG-CD1 4.22Å; T135-L137 PolarHBondContact O-N 3.36Å; L137-E139 VanDerWaalsContact C-N 3.34Å; L137-T332 HydrophobicContact CD2-CG2 3.31Å
138	E	97.2	Very high	97.2	Very high	119 Å²	119	50.6 Å²	50.6	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-27.5	178.6	-65.2	-176.5	179	0	0	110.6	V56 S58 Q59 H60 D136	V56-E138 HydrophobicContact CG1-CG 4.15Å; S58-E138 PolarHBondContact OG-O 2.88Å; S58-E138 VanDerWaalsContact OG-O 3.11Å; Q59-E138 WeakPolarHBondContact CA-O 3.44Å; Q59-E138 PolarHBondContact N-O 3.03Å; H60-E138 PolarHBondContact N-O 3.38Å; D136-E138 PolarHBondContact OD1-N 3.46Å
139	E	97.8	Very high	97.2	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	13.4	175.8	-70.2	-64.9	150.7	0	0	113.6	H60 D136 L137 N141	H60-E139 IonicContact CE1-OE2 2.66Å; H60-E139 IonicContact CG-OE2 2.69Å; H60-E139 IonicContact ND1-OE2 3.66Å; H60-E139 PolarHBondContact ND1-OE2 3.25Å; D136-E139 HydrophobicContact CB-CB 4.09Å; D136-E139 PolarHBondContact OD1-N 2.95Å; L137-E139 VanDerWaalsContact C-N 3.34Å; E139-N141 PolarHBondContact O-N 3.39Å; E139-N141 PolarHBondContact O-ND2 2.99Å
140	F	98.2	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.			trans	-65.9	129.4	-178.2	176.7	-125.7	0	0	0	112.1	S58 A93 I94 K129 M131 D136 T144 E336	S58-F140 WeakPolarHBondContact CB-O 3.38Å; S58-F140 PolarHBondContact OG-N 3.33Å; S58-F140 PolarHBondContact OG-O 3.35Å; A93-F140 HydrophobicContact CB-CD1 4.13Å; I94-F140 WeakPolarHBondContact O-CE1 3.46Å; K129-F140 HydrophobicContact CD-CZ 4.44Å; M131-F140 HydrophobicContact CE-CD2 3.78Å; M131-F140 HydrophobicContact CE-CE2 3.62Å; M131-F140 HydrophobicContact CE-CG 4.43Å; M131-F140 HydrophobicContact CE-CZ 4.14Å; M131-F140 HydrophobicContact SD-CE2 4.05Å; M131-F140 HydrophobicContact SD-CZ 4.44Å; D136-F140 PolarHBondContact O-N 2.81Å; F140-T144 HydrophobicContact CD2-CG2 3.94Å; F140-T144 HydrophobicContact CE2-CG2 4.41Å; F140-E336 HydrophobicContact CE1-CB 3.64Å; F140-E336 HydrophobicContact CE2-CB 4.37Å; F140-E336 HydrophobicContact CZ-CB 3.55Å
141	N	97.8	Very high	97.3	Very high	17 Å²	17	51 Å²	51	9%	0.091	28%	0.277	C	S	.	.			trans	-159.6	179.1	-175.3	61	59.1	0	0	0	112.1	H60 Y64 E139 K143 T144	H60-N141 HydrophobicContact CB-CB 4.31Å; H60-N141 PolarHBondContact CD2-ND2 3.02Å; H60-N141 PolarHBondContact CE1-ND2 3.44Å; H60-N141 VanDerWaalsContact CE1-ND2 3.27Å; H60-N141 PolarHBondContact ND1-ND2 3.13Å; H60-N141 PolarHBondContact NE2-ND2 3.14Å; Y64-N141 WeakPolarHBondContact OH-CB 3.45Å; E139-N141 PolarHBondContact O-N 3.39Å; E139-N141 PolarHBondContact O-ND2 2.99Å; N141-K143 PolarHBondContact O-N 3.03Å; N141-K143 VanDerWaalsContact O-N 3.09Å; N141-K143 WeakPolarHBondContact OD1-CA 3.39Å; N141-K143 WeakPolarHBondContact OD1-CB 3.41Å; N141-K143 PolarHBondContact OD1-N 3.22Å; N141-T144 PolarHBondContact N-OG1 3.46Å; N141-T144 VanDerWaalsContact O-CB 3.27Å; N141-T144 WeakPolarHBondContact O-CB 3.3Å; N141-T144 PolarHBondContact O-N 3.02Å; N141-T144 PolarHBondContact O-OG1 3.17Å; N141-T144 VanDerWaalsContact O-OG1 3.07Å; N141-T144 PolarHBondContact OD1-N 3.44Å; N141-T144 PolarHBondContact OD1-OG1 2.98Å
142	G	95.2	Very high	97.3	Very high	40 Å²	40	51 Å²	51	41%	0.412	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.8	179.9	0	0	0	0	0	116.5	E336	G142-E336 WeakPolarHBondContact CA-OE1 3.37Å; G142-E336 WeakPolarHBondContact CA-OE2 3.17Å; G142-E336 PolarHBondContact N-OE1 3.48Å
143	K	96.1	Very high	97.4	Very high	195 Å²	195	50.4 Å²	50.4	85%	0.848	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.4	174.7	-61.6	178.5	-176.8	170.8	0	113.1	N141 P145	N141-K143 PolarHBondContact O-N 3.03Å; N141-K143 VanDerWaalsContact O-N 3.09Å; N141-K143 WeakPolarHBondContact OD1-CA 3.39Å; N141-K143 WeakPolarHBondContact OD1-CB 3.41Å; N141-K143 PolarHBondContact OD1-N 3.22Å; K143-P145 WeakPolarHBondContact O-CD 3.37Å
144	T	97.7	Very high	97.4	Very high	18 Å²	18	44.3 Å²	44.3	11%	0.11	25%	0.247	C	C	.	.	S	Bend	trans	-63.6	126.8	179.6	-58.2	0	0	0	0	109.8	T135 F140 N141 Y146	T135-T144 HydrophobicContact CG2-CG2 3.89Å; F140-T144 HydrophobicContact CD2-CG2 3.94Å; F140-T144 HydrophobicContact CE2-CG2 4.41Å; N141-T144 PolarHBondContact N-OG1 3.46Å; N141-T144 VanDerWaalsContact O-CB 3.27Å; N141-T144 WeakPolarHBondContact O-CB 3.3Å; N141-T144 PolarHBondContact O-N 3.02Å; N141-T144 PolarHBondContact O-OG1 3.17Å; N141-T144 VanDerWaalsContact O-OG1 3.07Å; N141-T144 PolarHBondContact OD1-N 3.44Å; N141-T144 PolarHBondContact OD1-OG1 2.98Å; T144-Y146 PolarHBondContact O-N 3.38Å
145	P	97.1	Very high	97.5	Very high	102 Å²	102	43.8 Å²	43.8	66%	0.662	23%	0.232	S	C	*	.			trans	-57.5	133.3	175.1	-24.4	34.5	0	0	0	111.2	K143	K143-P145 WeakPolarHBondContact O-CD 3.37Å
146	Y	97.9	Very high	97.3	Very high	20 Å²	20	43.9 Å²	43.9	8%	0.078	24%	0.238	C	C	.	.			trans	-128.4	158.6	176.6	61.4	-93.5	0	0	0	109.6	K129 L130 T144 M149 I165 S167 N172	K129-Y146 HydrophobicContact CD-CD1 4Å; K129-Y146 HydrophobicContact CD-CG 4.28Å; L130-Y146 CarbonylContact O-C 3.48Å; L130-Y146 WeakPolarHBondContact O-CA 3.38Å; L130-Y146 WeakPolarHBondContact O-CB 3.48Å; T144-Y146 PolarHBondContact O-N 3.38Å; Y146-M149 HydrophobicContact CD1-CE 4.24Å; Y146-M149 HydrophobicContact CD2-CB 3.79Å; Y146-M149 HydrophobicContact CE1-CE 3.53Å; Y146-M149 HydrophobicContact CE2-CB 3.43Å; Y146-M149 VanDerWaalsContact CE2-CB 3.43Å; Y146-M149 HydrophobicContact CE2-CE 4.24Å; Y146-I165 HydrophobicContact CE2-CB 4.3Å; Y146-I165 HydrophobicContact CE2-CG2 3.94Å; Y146-I165 WeakPolarHBondContact OH-CG2 3.34Å; Y146-S167 WeakPolarHBondContact O-CB 3.21Å; Y146-S167 PolarHBondContact O-OG 3.49Å; Y146-N172 WeakPolarHBondContact CE1-ND2 3.2Å; Y146-N172 PolarHBondContact OH-ND2 2.85Å; Y146-N172 VanDerWaalsContact OH-ND2 3.08Å
147	R	97.8	Very high	96.8	Very high	55 Å²	55	44.7 Å²	44.7	21%	0.208	25%	0.248	C	C	.	.	S	Bend	trans	-94.9	-37.5	177.4	-61.8	-62.4	-66.8	145.3	6.6	112	L130 D132 S167 Y327 V330	L130-R147 PolarHBondContact O-N 2.72Å; D132-R147 WeakPolarHBondContact OD1-CD 3.17Å; D132-R147 WeakPolarHBondContact OD1-CG 3.48Å; D132-R147 IonicContact OD1-NE 3.44Å; D132-R147 WeakPolarHBondContact OD2-CD 3.39Å; R147-S167 PolarHBondContact NH1-O 2.77Å; R147-S167 PolarHBondContact O-N 3.1Å; R147-Y327 HydrophobicContact CB-CD1 3.99Å; R147-Y327 HydrophobicContact CB-CE1 4.05Å; R147-V330 HydrophobicContact CB-CG2 4.18Å; R147-V330 HydrophobicContact CG-CG2 3.77Å
148	I	98.6	Very high	96.4	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.4	177.8	-57.3	176.8	0	0	0	107.5	L109 I111 K129 L130 F150 I165 L166 L193 I195 Y327	L109-I148 HydrophobicContact CD2-CD1 3.95Å; I111-I148 HydrophobicContact CD1-CD1 3.66Å; I111-I148 HydrophobicContact CD1-CG2 4.27Å; K129-I148 CarbonylContact C-O 3.54Å; K129-I148 VanDerWaalsContact CA-O 3.28Å; K129-I148 WeakPolarHBondContact CA-O 3.24Å; L130-I148 HydrophobicContact CB-CB 4.25Å; L130-I148 HydrophobicContact CD1-CB 4.29Å; L130-I148 HydrophobicContact CD1-CD1 4.05Å; L130-I148 PolarHBondContact N-O 3.24Å; L130-I148 PolarHBondContact O-N 2.99Å; I148-F150 HydrophobicContact CG2-CB 4.14Å; I148-I165 CarbonylContact C-O 3.53Å; I148-I165 WeakPolarHBondContact CA-O 3.37Å; I148-L166 HydrophobicContact CG1-CD2 4.15Å; I148-L166 HydrophobicContact CG2-CD2 4.16Å; I148-L193 HydrophobicContact CG2-CD2 3.91Å; I148-I195 HydrophobicContact CD1-CD1 4.22Å; I148-Y327 HydrophobicContact CD1-CD1 4.13Å; I148-Y327 HydrophobicContact CD1-CD2 4.23Å; I148-Y327 HydrophobicContact CD1-CE1 3.73Å; I148-Y327 HydrophobicContact CD1-CE2 3.85Å; I148-Y327 HydrophobicContact CD1-CG 4.37Å; I148-Y327 HydrophobicContact CG1-CD1 4.18Å; I148-Y327 HydrophobicContact CG1-CE1 3.49Å; I148-Y327 VanDerWaalsContact CG1-CE1 3.49Å; I148-Y327 HydrophobicContact CG1-CE2 4.4Å
149	M	98.6	Very high	96.2	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	161.1	176.3	-165.7	-63	0	0	107.2	Y127 I128 K129 Y146 I165	Y127-M149 HydrophobicContact CD2-CG 3.67Å; Y127-M149 HydrophobicContact CD2-SD 3.85Å; Y127-M149 HydrophobicContact CE2-CE 4.14Å; Y127-M149 HydrophobicContact CE2-CG 4.21Å; Y127-M149 HydrophobicContact CE2-SD 3.85Å; Y127-M149 HydrophobicContact CG-CG 4.14Å; Y127-M149 HydrophobicContact CG-SD 4.31Å; I128-M149 CarbonylContact O-C 3.59Å; I128-M149 VanDerWaalsContact O-CA 3.3Å; I128-M149 WeakPolarHBondContact O-CA 3.37Å; K129-M149 HydrophobicContact CD-CE 3.9Å; K129-M149 HydrophobicContact CG-CB 4.19Å; K129-M149 HydrophobicContact CG-CE 4.25Å; K129-M149 HydrophobicContact CG-CG 4.07Å; Y146-M149 HydrophobicContact CD1-CE 4.24Å; Y146-M149 HydrophobicContact CD2-CB 3.79Å; Y146-M149 HydrophobicContact CE1-CE 3.53Å; Y146-M149 HydrophobicContact CE2-CB 3.43Å; Y146-M149 VanDerWaalsContact CE2-CB 3.43Å; Y146-M149 HydrophobicContact CE2-CE 4.24Å; M149-I165 HydrophobicContact CB-CB 4.21Å; M149-I165 PolarHBondContact N-O 3.22Å; M149-I165 PolarHBondContact O-N 2.91Å; M149-I165 HydrophobicContact SD-CD1 3.83Å
150	F	98.8	Very high	96.1	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134	-173.7	172.8	-113.9	0	0	0	111	Y113 Y127 I128 I148 V162 H163 A164 K192 L193 I203	Y113-F150 HydrophobicContact CE1-CD1 4.07Å; Y113-F150 HydrophobicContact CE1-CE1 4.17Å; Y113-F150 PolarHBondContact OH-O 3.15Å; Y127-F150 WeakPolarHBondContact CA-O 3.46Å; Y127-F150 WeakPolarHBondContact CB-O 3.39Å; I128-F150 VanDerWaalsContact CG1-O 3.3Å; I128-F150 WeakPolarHBondContact CG1-O 3.37Å; I128-F150 PolarHBondContact N-O 2.69Å; I128-F150 PolarHBondContact O-N 3.07Å; I148-F150 HydrophobicContact CG2-CB 4.14Å; F150-V162 HydrophobicContact CD2-CG1 4.36Å; F150-V162 HydrophobicContact CE2-CG1 3.71Å; F150-V162 HydrophobicContact CZ-CG1 4.29Å; F150-H163 WeakPolarHBondContact CA-O 3.44Å; F150-H163 VanDerWaalsContact CD2-O 3.28Å; F150-H163 WeakPolarHBondContact CD2-O 3.44Å; F150-A164 HydrophobicContact CD2-CB 4.2Å; F150-K192 VanDerWaalsContact CZ-C 3.41Å; F150-L193 HydrophobicContact CB-CD2 4.05Å; F150-L193 HydrophobicContact CD1-CB 3.73Å; F150-L193 HydrophobicContact CD2-CB 3.81Å; F150-L193 HydrophobicContact CD2-CD2 4.03Å; F150-L193 HydrophobicContact CD2-CG 4.39Å; F150-L193 HydrophobicContact CE1-CB 3.7Å; F150-L193 HydrophobicContact CE2-CB 3.8Å; F150-L193 HydrophobicContact CG-CB 3.78Å; F150-L193 HydrophobicContact CG-CD2 3.97Å; F150-L193 HydrophobicContact CG-CG 4.5Å; F150-L193 HydrophobicContact CZ-CB 3.74Å; F150-I203 HydrophobicContact CE2-CG1 4.47Å; F150-I203 HydrophobicContact CE2-CG2 4.06Å; F150-I203 HydrophobicContact CZ-CG2 4.35Å
151	G	98.3	Very high	96	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138	179.3	171.7	0	0	0	0	0	115.2	Y113 V162 H163	Y113-G151 WeakPolarHBondContact OH-CA 3.49Å; G151-V162 CarbonylContact O-C 3.51Å; G151-V162 WeakPolarHBondContact O-CA 3.3Å; G151-H163 PolarHBondContact N-O 2.94Å; G151-H163 PolarHBondContact O-N 2.84Å
152	P	98.2	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.9	-178.9	30.1	-37.1	0	0	0	112.1	Y113 V115 F117 G126 Y127 L161 A182 Y191	Y113-P152 WeakPolarHBondContact OH-CD 3.28Å; V115-P152 HydrophobicContact CG2-CG 4.5Å; F117-P152 HydrophobicContact CE2-CB 4.38Å; F117-P152 HydrophobicContact CE2-CG 4.15Å; F117-P152 HydrophobicContact CZ-CB 4.11Å; F117-P152 HydrophobicContact CZ-CG 3.71Å; G126-P152 CarbonylContact C-O 3.54Å; G126-P152 VanDerWaalsContact CA-O 3.31Å; G126-P152 WeakPolarHBondContact CA-O 2.98Å; G126-P152 PolarHBondContact N-O 2.81Å; G126-P152 WeakPolarHBondContact O-CD 3.35Å; Y127-P152 PolarHBondContact N-O 3.05Å; P152-L161 CarbonylContact C-O 3.51Å; P152-L161 WeakPolarHBondContact CA-O 3.3Å; P152-A182 HydrophobicContact CB-CB 3.57Å; P152-Y191 HydrophobicContact CB-CE1 3.99Å; P152-Y191 HydrophobicContact CB-CE2 4.5Å; P152-Y191 HydrophobicContact CG-CD2 4.3Å; P152-Y191 HydrophobicContact CG-CE1 3.97Å; P152-Y191 HydrophobicContact CG-CE2 3.75Å
153	D	97.5	Very high	96.2	Very high	50 Å²	50	54.7 Å²	54.7	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.8	160.5	-166.9	3.5	0	0	0	107.8	Y127 L161 H163	Y127-D153 HydrophobicContact CD1-CB 4.24Å; Y127-D153 HydrophobicContact CE1-CB 4.43Å; D153-L161 PolarHBondContact N-O 3.33Å; D153-L161 PolarHBondContact O-N 2.96Å; D153-H163 WeakPolarHBondContact CB-CD2 3.44Å; D153-H163 IonicContact OD2-NE2 2.83Å
154	I	97.3	Very high	96.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	-171.8	-65.7	160.9	0	0	0	107.1	F117 I121 C123 G124 K159 R160 A182 A184	F117-I154 HydrophobicContact CD2-CD1 3.87Å; F117-I154 HydrophobicContact CE1-CD1 4.31Å; F117-I154 HydrophobicContact CE2-CD1 3.44Å; F117-I154 VanDerWaalsContact CE2-CD1 3.44Å; F117-I154 HydrophobicContact CG-CD1 4.46Å; F117-I154 HydrophobicContact CZ-CD1 3.68Å; I121-I154 HydrophobicContact CG2-CB 4.36Å; I121-I154 HydrophobicContact CG2-CD1 3.66Å; I121-I154 HydrophobicContact CG2-CG2 4.09Å; C123-I154 CarbonylContact C-O 3.6Å; C123-I154 WeakPolarHBondContact CA-O 3.36Å; G124-I154 PolarHBondContact N-O 3.2Å; G124-I154 PolarHBondContact O-N 2.92Å; G124-I154 VanDerWaalsContact O-N 3.1Å; I154-K159 CarbonylContact C-O 3.5Å; I154-K159 WeakPolarHBondContact CA-O 3.47Å; I154-R160 HydrophobicContact CG1-CG 4.41Å; I154-R160 HydrophobicContact CG2-CG 4.17Å; I154-A182 HydrophobicContact CG1-CB 4.13Å; I154-A184 HydrophobicContact CD1-CB 3.68Å; I154-A184 HydrophobicContact CG1-CB 4.28Å; I154-A184 HydrophobicContact CG2-CB 4.24Å
155	C	95.4	Very high	96.4	Very high	56 Å²	56	45.6 Å²	45.6	38%	0.378	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	93.2	168.9	-158.7	0	0	0	0	110.3	C123 K159	C123-C155 HydrophobicContact CB-CB 4Å; C123-C155 WeakPolarHBondContact CB-SG 3.37Å; C123-C155 WeakPolarHBondContact SG-CB 3.39Å; C123-C155 CovalentContact SG-SG 2.07Å; C123-C155 PolarHBondContact SG-SG 3.34Å; C155-K159 HydrophobicContact CB-CB 4.45Å; C155-K159 PolarHBondContact N-O 3.15Å; C155-K159 WeakPolarHBondContact O-CB 3.37Å
156	G	92.3	Very high	96.5	Very high	26 Å²	26	40.7 Å²	40.7	27%	0.268	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-173.3	-174.1	0	0	0	0	0	113.5	D122 E158 R160	D122-G156 PolarHBondContact O-N 2.86Å; G156-E158 VanDerWaalsContact C-N 3.32Å; G156-R160 PolarHBondContact O-NE 3.34Å
157	P	88.1	Confident	96.4	Very high	105 Å²	105	40.3 Å²	40.3	68%	0.682	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.7	-179.8	28.2	-33.3	0	0	0	113.4
158	E	88.5	Confident	96.3	Very high	181 Å²	181	38.7 Å²	38.7	85%	0.846	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-26.4	-173.6	-63.3	178.9	178.6	0	0	113.6	G156	G156-E158 VanDerWaalsContact C-N 3.32Å
159	K	93.5	Very high	96	Very high	148 Å²	148	44.7 Å²	44.7	64%	0.643	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	90.3	-178.4	-59.5	-178.4	178.3	-178.7	0	109.5	I154 C155	I154-K159 CarbonylContact C-O 3.5Å; I154-K159 WeakPolarHBondContact CA-O 3.47Å; C155-K159 HydrophobicContact CB-CB 4.45Å; C155-K159 PolarHBondContact N-O 3.15Å; C155-K159 WeakPolarHBondContact O-CB 3.37Å
160	R	95.4	Very high	95.7	Very high	100 Å²	100	47.5 Å²	47.5	38%	0.377	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	87.7	176.9	-65.7	177.8	179.3	-176.4	-4	107.7	I154 G156 V181 A182 A184	I154-R160 HydrophobicContact CG1-CG 4.41Å; I154-R160 HydrophobicContact CG2-CG 4.17Å; G156-R160 PolarHBondContact O-NE 3.34Å; R160-V181 HydrophobicContact CB-CG1 4.23Å; R160-V181 WeakPolarHBondContact O-CA 3.16Å; R160-A182 HydrophobicContact CB-CB 4.3Å; R160-A182 PolarHBondContact O-N 2.91Å; R160-A184 HydrophobicContact CG-CB 4.48Å
161	L	97	Very high	95.6	Very high	33 Å²	33	54.2 Å²	54.2	17%	0.173	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.1	-169.7	176.4	64.1	0	0	0	110.3	P152 D153 E179	P152-L161 CarbonylContact C-O 3.51Å; P152-L161 WeakPolarHBondContact CA-O 3.3Å; D153-L161 PolarHBondContact N-O 3.33Å; D153-L161 PolarHBondContact O-N 2.96Å; L161-E179 HydrophobicContact CD1-CB 3.7Å; L161-E179 HydrophobicContact CD1-CG 3.8Å
162	V	98.5	Very high	95.6	Very high	1 Å²	1	58 Å²	58	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.4	162.7	-175.6	0	0	0	0	108.3	F150 G151 V180 A182 Y191 I203	F150-V162 HydrophobicContact CD2-CG1 4.36Å; F150-V162 HydrophobicContact CE2-CG1 3.71Å; F150-V162 HydrophobicContact CZ-CG1 4.29Å; G151-V162 CarbonylContact O-C 3.51Å; G151-V162 WeakPolarHBondContact O-CA 3.3Å; V162-V180 HydrophobicContact CB-CB 4.03Å; V162-V180 HydrophobicContact CB-CG1 3.91Å; V162-V180 HydrophobicContact CG2-CB 4.37Å; V162-V180 HydrophobicContact CG2-CG1 3.79Å; V162-V180 PolarHBondContact N-O 2.82Å; V162-A182 HydrophobicContact CG2-CB 4.03Å; V162-Y191 HydrophobicContact CG1-CD1 4.05Å; V162-Y191 HydrophobicContact CG2-CD1 3.9Å; V162-Y191 HydrophobicContact CG2-CE1 3.55Å; V162-I203 HydrophobicContact CG1-CG2 4.49Å
163	H	98.3	Very high	95.6	Very high	36 Å²	36	59.8 Å²	59.8	17%	0.167	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	141.4	173.8	-73.7	-78.8	0	0	0	110.7	F150 G151 D153 I165 E174	F150-H163 WeakPolarHBondContact CA-O 3.44Å; F150-H163 VanDerWaalsContact CD2-O 3.28Å; F150-H163 WeakPolarHBondContact CD2-O 3.44Å; G151-H163 PolarHBondContact N-O 2.94Å; G151-H163 PolarHBondContact O-N 2.84Å; D153-H163 WeakPolarHBondContact CB-CD2 3.44Å; D153-H163 IonicContact OD2-NE2 2.83Å; H163-I165 HydrophobicContact CB-CD1 4.48Å; H163-I165 HydrophobicContact CB-CG1 4.39Å; H163-E174 IonicContact CE1-OE2 3.86Å; H163-E174 IonicContact CG-OE2 3.78Å; H163-E174 IonicContact ND1-OE2 2.7Å; H163-E174 PolarHBondContact ND1-OE2 2.84Å
164	A	98.5	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	79.2	169.6	0	0	0	0	0	108.2	F150 E174 R175 I203 W219	F150-A164 HydrophobicContact CD2-CB 4.2Å; A164-E174 PolarHBondContact N-OE1 2.83Å; A164-R175 HydrophobicContact CB-CB 4.21Å; A164-R175 PolarHBondContact O-N 2.78Å; A164-I203 HydrophobicContact CB-CD1 3.73Å; A164-W219 HydrophobicContact CB-CZ2 3.95Å; A164-W219 WeakPolarHBondContact O-CZ2 3.34Å; A164-W219 PolarHBondContact O-NE1 2.58Å
165	I	98.6	Very high	95.7	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.108	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123	-174.6	-55.1	173.1	0	0	0	109.7	Y146 I148 M149 H163 N172 F173 E174	Y146-I165 HydrophobicContact CE2-CB 4.3Å; Y146-I165 HydrophobicContact CE2-CG2 3.94Å; Y146-I165 WeakPolarHBondContact OH-CG2 3.34Å; I148-I165 CarbonylContact C-O 3.53Å; I148-I165 WeakPolarHBondContact CA-O 3.37Å; M149-I165 HydrophobicContact CB-CB 4.21Å; M149-I165 PolarHBondContact N-O 3.22Å; M149-I165 PolarHBondContact O-N 2.91Å; M149-I165 HydrophobicContact SD-CD1 3.83Å; H163-I165 HydrophobicContact CB-CD1 4.48Å; H163-I165 HydrophobicContact CB-CG1 4.39Å; I165-N172 HydrophobicContact CG2-CB 3.76Å; I165-F173 CarbonylContact C-O 3.57Å; I165-F173 VanDerWaalsContact CA-O 3.25Å; I165-F173 WeakPolarHBondContact CA-O 3.28Å; I165-F173 WeakPolarHBondContact CG2-O 3.41Å; I165-E174 WeakPolarHBondContact CD1-OE2 3.47Å; I165-E174 HydrophobicContact CG1-CB 4.41Å; I165-E174 WeakPolarHBondContact CG1-OE2 3.29Å
166	L	98.6	Very high	95.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.3	178.5	-50.6	-177.1	0	0	0	109.8	I148 F173 I195 L215 W219 M221 Y327	I148-L166 HydrophobicContact CG1-CD2 4.15Å; I148-L166 HydrophobicContact CG2-CD2 4.16Å; L166-F173 PolarHBondContact N-O 3.27Å; L166-F173 PolarHBondContact O-N 2.85Å; L166-I195 HydrophobicContact CD2-CD1 4.16Å; L166-L215 HydrophobicContact CD1-CD2 3.77Å; L166-W219 HydrophobicContact CD1-CD2 3.84Å; L166-W219 HydrophobicContact CD1-CE3 4.32Å; L166-W219 HydrophobicContact CD1-CG 4.23Å; L166-W219 HydrophobicContact CD1-CH2 4.36Å; L166-W219 HydrophobicContact CD1-CZ2 3.89Å; L166-W219 HydrophobicContact CG-CD2 4.35Å; L166-W219 HydrophobicContact CG-CZ2 4.05Å; L166-M221 HydrophobicContact CB-SD 4.14Å; L166-M221 HydrophobicContact CD1-CE 4.15Å; L166-M221 HydrophobicContact CD1-SD 4.45Å; L166-Y327 WeakPolarHBondContact CD2-OH 3.48Å
167	S	97.5	Very high	95.7	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.6	176.5	-166.9	0	0	0	0	111.7	Y146 R147 K171 N172	Y146-S167 WeakPolarHBondContact O-CB 3.21Å; Y146-S167 PolarHBondContact O-OG 3.49Å; R147-S167 PolarHBondContact NH1-O 2.77Å; R147-S167 PolarHBondContact O-N 3.1Å; S167-K171 CarbonylContact C-O 3.43Å; S167-K171 VanDerWaalsContact CA-O 3.29Å; S167-K171 WeakPolarHBondContact CA-O 3.45Å; S167-K171 PolarHBondContact OG-O 2.84Å; S167-N172 VanDerWaalsContact CB-OD1 3.29Å; S167-N172 WeakPolarHBondContact CB-OD1 3.42Å; S167-N172 PolarHBondContact OG-OD1 2.85Å
168	H	95.9	Very high	96	Very high	21 Å²	21	68.5 Å²	68.5	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.7	-179.3	-175	79.2	0	0	0	110.2	G170 K171 F173 M221 E321	H168-G170 PolarHBondContact O-N 3.49Å; H168-G170 VanDerWaalsContact O-N 3.14Å; H168-K171 PolarHBondContact N-O 2.88Å; H168-K171 PolarHBondContact O-N 3.42Å; H168-K171 VanDerWaalsContact O-O 3.14Å; H168-F173 HydrophobicContact CB-CD2 4.09Å; H168-F173 HydrophobicContact CB-CE2 3.9Å; H168-F173 WeakPolarHBondContact O-CE2 3.23Å; H168-M221 HydrophobicContact CB-CB 4.06Å; H168-M221 HydrophobicContact CB-CG 3.72Å; H168-M221 HydrophobicContact CB-SD 3.71Å; H168-M221 PolarHBondContact CD2-O 2.83Å; H168-E321 IonicContact CE1-OE2 3.85Å; H168-E321 PolarHBondContact CE1-OE2 3.37Å; H168-E321 IonicContact NE2-OE1 2.64Å; H168-E321 IonicContact NE2-OE2 3.53Å; H168-E321 PolarHBondContact NE2-OE2 3.39Å
169	N	92	Very high	96.3	Very high	129 Å²	129	66.6 Å²	66.6	69%	0.69	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	-177.9	-64.2	-27.1	0	0	0	114.4	K171	N169-K171 VanDerWaalsContact C-N 3.27Å; N169-K171 PolarHBondContact O-N 3.2Å
170	G	91.8	Very high	96.5	Very high	76 Å²	76	59.8 Å²	59.8	78%	0.784	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	9.5	178.1	0	0	0	0	0	115.1	H168	H168-G170 PolarHBondContact O-N 3.49Å; H168-G170 VanDerWaalsContact O-N 3.14Å
171	K	97.1	Very high	96.6	Very high	143 Å²	143	59.5 Å²	59.5	62%	0.622	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.4	176.2	-65.3	-179.1	-178.1	178.2	0	110.4	S167 H168 N169 F173	S167-K171 CarbonylContact C-O 3.43Å; S167-K171 VanDerWaalsContact CA-O 3.29Å; S167-K171 WeakPolarHBondContact CA-O 3.45Å; S167-K171 PolarHBondContact OG-O 2.84Å; H168-K171 PolarHBondContact N-O 2.88Å; H168-K171 PolarHBondContact O-N 3.42Å; H168-K171 VanDerWaalsContact O-O 3.14Å; N169-K171 VanDerWaalsContact C-N 3.27Å; N169-K171 PolarHBondContact O-N 3.2Å; K171-F173 HydrophobicContact CB-CE2 3.67Å; K171-F173 HydrophobicContact CB-CZ 3.73Å; K171-F173 HydrophobicContact CD-CZ 4.28Å; K171-F173 WeakPolarHBondContact O-CD2 3.36Å; K171-F173 WeakPolarHBondContact O-CE2 3.25Å
172	N	98	Very high	96.6	Very high	78 Å²	78	58 Å²	58	42%	0.417	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.2	178.9	-63.2	-16.7	0	0	0	109.2	Y146 I165 S167	Y146-N172 WeakPolarHBondContact CE1-ND2 3.2Å; Y146-N172 PolarHBondContact OH-ND2 2.85Å; Y146-N172 VanDerWaalsContact OH-ND2 3.08Å; I165-N172 HydrophobicContact CG2-CB 3.76Å; S167-N172 VanDerWaalsContact CB-OD1 3.29Å; S167-N172 WeakPolarHBondContact CB-OD1 3.42Å; S167-N172 PolarHBondContact OG-OD1 2.85Å
173	F	98.3	Very high	96.4	Very high	38 Å²	38	60.9 Å²	60.9	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	-178.2	-60.5	-85.8	0	0	0	109	I165 L166 H168 K171 W219 E220 M221	I165-F173 CarbonylContact C-O 3.57Å; I165-F173 VanDerWaalsContact CA-O 3.25Å; I165-F173 WeakPolarHBondContact CA-O 3.28Å; I165-F173 WeakPolarHBondContact CG2-O 3.41Å; L166-F173 PolarHBondContact N-O 3.27Å; L166-F173 PolarHBondContact O-N 2.85Å; H168-F173 HydrophobicContact CB-CD2 4.09Å; H168-F173 HydrophobicContact CB-CE2 3.9Å; H168-F173 WeakPolarHBondContact O-CE2 3.23Å; K171-F173 HydrophobicContact CB-CE2 3.67Å; K171-F173 HydrophobicContact CB-CZ 3.73Å; K171-F173 HydrophobicContact CD-CZ 4.28Å; K171-F173 WeakPolarHBondContact O-CD2 3.36Å; K171-F173 WeakPolarHBondContact O-CE2 3.25Å; F173-W219 HydrophobicContact CB-CB 4.33Å; F173-W219 PolarHBondContact O-NE1 3.29Å; F173-E220 HydrophobicContact CD1-CB 3.91Å; F173-E220 WeakPolarHBondContact CD1-O 3.45Å; F173-E220 HydrophobicContact CE1-CB 4.24Å; F173-E220 WeakPolarHBondContact CE1-O 3.23Å; F173-M221 HydrophobicContact CB-CG 4.25Å; F173-M221 HydrophobicContact CD2-CB 4.49Å; F173-M221 HydrophobicContact CD2-CG 3.7Å; F173-M221 HydrophobicContact CE2-CG 4.24Å; F173-M221 HydrophobicContact CG-CG 4.02Å
174	E	98.1	Very high	96.1	Very high	66 Å²	66	59.7 Å²	59.7	31%	0.308	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-79.3	150.3	170.3	-176.8	58.7	-96	0	0	110.2	H163 A164 I165	H163-E174 IonicContact CE1-OE2 3.86Å; H163-E174 IonicContact CG-OE2 3.78Å; H163-E174 IonicContact ND1-OE2 2.7Å; H163-E174 PolarHBondContact ND1-OE2 2.84Å; A164-E174 PolarHBondContact N-OE1 2.83Å; I165-E174 WeakPolarHBondContact CD1-OE2 3.47Å; I165-E174 HydrophobicContact CG1-CB 4.41Å; I165-E174 WeakPolarHBondContact CG1-OE2 3.29Å
175	R	98.2	Very high	95.9	Very high	27 Å²	27	62.3 Å²	62.3	10%	0.102	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.9	135.9	173.7	-171.2	-178.5	131.9	-85.7	-3.8	110.8	A164 E178 Y201 A211 D218 W219	A164-R175 HydrophobicContact CB-CB 4.21Å; A164-R175 PolarHBondContact O-N 2.78Å; R175-E178 PolarHBondContact NH1-O 3.21Å; R175-E178 PolarHBondContact NH2-O 3.14Å; R175-Y201 WeakPolarHBondContact CD-OH 3.26Å; R175-Y201 PolarHBondContact NE-OH 2.86Å; R175-A211 VanDerWaalsContact NH2-CB 3.35Å; R175-D218 CarbonylContact C-O 3.57Å; R175-D218 HydrophobicContact CG-CB 4.36Å; R175-W219 HydrophobicContact CB-CD2 4.36Å; R175-W219 HydrophobicContact CB-CH2 4.1Å; R175-W219 HydrophobicContact CB-CZ2 3.48Å; R175-W219 VanDerWaalsContact CB-CZ2 3.48Å; R175-W219 HydrophobicContact CG-CD2 4.41Å; R175-W219 HydrophobicContact CG-CE3 4.44Å; R175-W219 HydrophobicContact CG-CH2 3.66Å; R175-W219 HydrophobicContact CG-CZ2 3.59Å; R175-W219 HydrophobicContact CG-CZ3 4.08Å
176	K	95.8	Very high	95.7	Very high	86 Å²	86	64 Å²	64	37%	0.374	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-92.5	170	174	-64.9	178.8	165.4	-167.9	0	112.3	D218 E220	K176-D218 WeakPolarHBondContact CB-O 3.37Å; K176-D218 PolarHBondContact N-O 2.82Å; K176-E220 HydrophobicContact CD-CG 4.44Å; K176-E220 WeakPolarHBondContact CE-OE1 3.44Å; K176-E220 VanDerWaalsContact CE-OE2 3.3Å; K176-E220 WeakPolarHBondContact CE-OE2 3.41Å; K176-E220 IonicContact NZ-OE1 2.9Å; K176-E220 PolarHBondContact NZ-OE1 3.26Å; K176-E220 IonicContact NZ-OE2 3.7Å
177	G	92.1	Very high	95.6	Very high	69 Å²	69	65.1 Å²	65.1	71%	0.711	36%	0.357	S	S	*	.	S	Bend	trans	98.9	-154.2	174.8	0	0	0	0	0	111.4	E179	G177-E179 PolarHBondContact O-N 3.01Å
178	E	94.3	Very high	95.5	Very high	174 Å²	174	64.9 Å²	64.9	81%	0.813	36%	0.355	S	S	*	.	S	Bend	trans	-64.6	129.5	178.6	-172.4	171.3	-175.3	0	0	110.7	R175	R175-E178 PolarHBondContact NH1-O 3.21Å; R175-E178 PolarHBondContact NH2-O 3.14Å
179	E	95	Very high	95.6	Very high	140 Å²	140	64.5 Å²	64.5	65%	0.654	35%	0.353	S	S	*	.			trans	-68.4	137	179.5	-72.1	-178.9	175.4	0	0	110.8	L161 G177	L161-E179 HydrophobicContact CD1-CB 3.7Å; L161-E179 HydrophobicContact CD1-CG 3.8Å; G177-E179 PolarHBondContact O-N 3.01Å
180	V	97.6	Very high	95.9	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	32%	0.321	C	S	.	.			trans	-86.9	115.4	171.5	176.3	0	0	0	0	107.2	V162 A182 I203 E210 A211	V162-V180 HydrophobicContact CB-CB 4.03Å; V162-V180 HydrophobicContact CB-CG1 3.91Å; V162-V180 HydrophobicContact CG2-CB 4.37Å; V162-V180 HydrophobicContact CG2-CG1 3.79Å; V162-V180 PolarHBondContact N-O 2.82Å; V180-A182 PolarHBondContact O-N 2.93Å; V180-I203 HydrophobicContact CG1-CG2 4.35Å; V180-I203 HydrophobicContact CG2-CG2 4.32Å; V180-E210 HydrophobicContact CB-CB 4.44Å; V180-E210 HydrophobicContact CG1-CB 3.68Å; V180-E210 HydrophobicContact CG1-CG 3.99Å; V180-E210 HydrophobicContact CG2-CB 3.92Å; V180-A211 HydrophobicContact CG2-CB 3.91Å
181	V	97	Very high	96.3	Very high	94 Å²	94	54.9 Å²	54.9	57%	0.57	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-73	125.8	-176.4	-177.1	0	0	0	0	110	R160 L205	R160-V181 HydrophobicContact CB-CG1 4.23Å; R160-V181 WeakPolarHBondContact O-CA 3.16Å; V181-L205 WeakPolarHBondContact O-CD2 3.29Å
182	A	97.1	Very high	96.3	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.2	140.3	175.2	0	0	0	0	0	111.3	P152 I154 R160 V162 V180	P152-A182 HydrophobicContact CB-CB 3.57Å; I154-A182 HydrophobicContact CG1-CB 4.13Å; R160-A182 HydrophobicContact CB-CB 4.3Å; R160-A182 PolarHBondContact O-N 2.91Å; V162-A182 HydrophobicContact CG2-CB 4.03Å; V180-A182 PolarHBondContact O-N 2.93Å
183	M	94.4	Very high	96.4	Very high	61 Å²	61	44.7 Å²	44.7	30%	0.3	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-78.5	125.4	171.9	-57.1	-60.1	-69.3	0	0	109.2	F117 H189 Y191 L205	F117-M183 WeakPolarHBondContact CD2-O 3.38Å; F117-M183 VanDerWaalsContact CE2-O 3.29Å; F117-M183 WeakPolarHBondContact CE2-O 3.46Å; M183-H189 HydrophobicContact CB-CB 4.31Å; M183-H189 WeakPolarHBondContact CB-CD2 3.32Å; M183-H189 VanDerWaalsContact CB-NE2 3.26Å; M183-H189 WeakPolarHBondContact CB-NE2 3.46Å; M183-H189 HydrophobicContact CG-CB 4.47Å; M183-Y191 PolarHBondContact N-OH 2.96Å; M183-Y191 PolarHBondContact O-OH 2.86Å; M183-L205 HydrophobicContact CG-CD1 3.95Å; M183-L205 HydrophobicContact CG-CD2 3.75Å; M183-L205 HydrophobicContact CG-CG 4.14Å; M183-L205 HydrophobicContact SD-CD2 4.05Å
184	A	92.4	Very high	96.4	Very high	10 Å²	10	42.9 Å²	42.9	8%	0.083	23%	0.228	C	C	.	.			trans	-114.7	9.1	-174.5	0	0	0	0	0	113.2	I154 R160	I154-A184 HydrophobicContact CD1-CB 3.68Å; I154-A184 HydrophobicContact CG1-CB 4.28Å; I154-A184 HydrophobicContact CG2-CB 4.24Å; R160-A184 HydrophobicContact CG-CB 4.48Å
185	D	93.7	Very high	96.4	Very high	55 Å²	55	39.8 Å²	39.8	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	-76.4	175.5	174.1	68.8	53.9	0	0	0	111.7	F187 H189	D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 HydrophobicContact CB-CD2 4.31Å; D185-F187 PolarHBondContact O-N 2.84Å; D185-F187 WeakPolarHBondContact OD1-CA 3.33Å; D185-F187 VanDerWaalsContact OD1-CB 3.25Å; D185-F187 WeakPolarHBondContact OD1-CB 3.3Å; D185-F187 VanDerWaalsContact OD1-CD2 3.3Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.25Å; D185-F187 PolarHBondContact OD1-N 2.82Å; D185-H189 IonicContact OD1-CD2 3.32Å; D185-H189 IonicContact OD1-CE1 3.75Å; D185-H189 IonicContact OD1-NE2 3.87Å; D185-H189 PolarHBondContact OD1-NE2 2.89Å; D185-H189 IonicContact OD2-CE1 2.95Å; D185-H189 IonicContact OD2-NE2 3.36Å; D185-H189 PolarHBondContact OD2-NE2 2.87Å; D185-H189 VanDerWaalsContact OD2-NE2 3.1Å
186	E	94.3	Very high	96.4	Very high	58 Å²	58	40.8 Å²	40.8	27%	0.271	22%	0.217	S	C	.	.	S	Bend	trans	-80.1	-0.9	-175	-67.8	172.2	-142.9	0	0	114.1	R116 F117 D120 K380	R116-E186 WeakPolarHBondContact CG-O 3.47Å; F117-E186 WeakPolarHBondContact O-CA 3.07Å; D120-E186 HydrophobicContact CB-CG 4.36Å; E186-K380 IonicContact OE1-NZ 3.4Å; E186-K380 PolarHBondContact OE1-NZ 3.47Å; E186-K380 IonicContact OE2-NZ 3.58Å; E186-K380 PolarHBondContact OE2-NZ 2.72Å
187	F	96.3	Very high	96.5	Very high	22 Å²	22	39 Å²	39	10%	0.096	22%	0.215	C	C	.	.	S	Bend	trans	-93.6	171.9	-172.6	-54.6	-61.6	0	0	0	112.8	L74 D185 H189 E373 E376 S377 K380	L74-F187 HydrophobicContact CD1-CD1 4.2Å; L74-F187 HydrophobicContact CD1-CE1 3.97Å; D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 HydrophobicContact CB-CD2 4.31Å; D185-F187 PolarHBondContact O-N 2.84Å; D185-F187 WeakPolarHBondContact OD1-CA 3.33Å; D185-F187 VanDerWaalsContact OD1-CB 3.25Å; D185-F187 WeakPolarHBondContact OD1-CB 3.3Å; D185-F187 VanDerWaalsContact OD1-CD2 3.3Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.25Å; D185-F187 PolarHBondContact OD1-N 2.82Å; F187-H189 PolarHBondContact O-CD2 3.41Å; F187-H189 PolarHBondContact O-N 2.89Å; F187-E373 HydrophobicContact CB-CB 4.38Å; F187-E373 HydrophobicContact CB-CG 4.49Å; F187-E373 HydrophobicContact CD1-CB 3.62Å; F187-E373 HydrophobicContact CD1-CG 3.8Å; F187-E373 HydrophobicContact CE1-CB 4.23Å; F187-E373 HydrophobicContact CG-CB 4.2Å; F187-E376 HydrophobicContact CE1-CB 4.13Å; F187-E376 HydrophobicContact CE1-CG 4.4Å; F187-S377 VanDerWaalsContact CE2-CB 3.49Å; F187-S377 VanDerWaalsContact CZ-CA 3.47Å; F187-K380 HydrophobicContact CZ-CD 4.47Å
188	T	97.2	Very high	96.7	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.1	-175.5	-55.2	0	0	0	0	110.6	R116 L366 L369 E373	R116-T188 PolarHBondContact NE-OG1 2.92Å; R116-T188 PolarHBondContact NH2-OG1 2.86Å; T188-L366 HydrophobicContact CG2-CD1 4.12Å; T188-L366 HydrophobicContact CG2-CD2 4.22Å; T188-L369 HydrophobicContact CG2-CD2 4.48Å; T188-E373 WeakPolarHBondContact CB-OE1 3.42Å; T188-E373 WeakPolarHBondContact CB-OE2 3.47Å; T188-E373 PolarHBondContact N-OE1 3.43Å; T188-E373 PolarHBondContact N-OE2 2.87Å; T188-E373 PolarHBondContact OG1-OE1 2.67Å; T188-E373 PolarHBondContact OG1-OE2 2.93Å
189	H	97.9	Very high	96.9	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.06	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.7	175.6	-64.3	-61.1	0	0	0	112.7	S114 V115 M183 D185 F187 Y191 L205 N206	S114-H189 CarbonylContact C-O 3.59Å; S114-H189 WeakPolarHBondContact CA-O 3.33Å; V115-H189 PolarHBondContact N-O 2.76Å; V115-H189 PolarHBondContact O-N 3.01Å; M183-H189 HydrophobicContact CB-CB 4.31Å; M183-H189 WeakPolarHBondContact CB-CD2 3.32Å; M183-H189 VanDerWaalsContact CB-NE2 3.26Å; M183-H189 WeakPolarHBondContact CB-NE2 3.46Å; M183-H189 HydrophobicContact CG-CB 4.47Å; D185-H189 IonicContact OD1-CD2 3.32Å; D185-H189 IonicContact OD1-CE1 3.75Å; D185-H189 IonicContact OD1-NE2 3.87Å; D185-H189 PolarHBondContact OD1-NE2 2.89Å; D185-H189 IonicContact OD2-CE1 2.95Å; D185-H189 IonicContact OD2-NE2 3.36Å; D185-H189 PolarHBondContact OD2-NE2 2.87Å; D185-H189 VanDerWaalsContact OD2-NE2 3.1Å; F187-H189 PolarHBondContact O-CD2 3.41Å; F187-H189 PolarHBondContact O-N 2.89Å; H189-Y191 HydrophobicContact CB-CE2 3.86Å; H189-L205 HydrophobicContact CB-CD1 4.42Å; H189-N206 VanDerWaalsContact CA-OD1 3.26Å; H189-N206 WeakPolarHBondContact CA-OD1 3.46Å; H189-N206 PolarHBondContact ND1-ND2 2.97Å; H189-N206 VanDerWaalsContact ND1-ND2 3.16Å; H189-N206 PolarHBondContact ND1-OD1 2.98Å
190	V	98.4	Very high	97	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.4	-179.5	-179.4	0	0	0	0	109.8	Y113 K192 L205 N206 F362 L366	Y113-V190 WeakPolarHBondContact O-CA 3.44Å; V190-K192 HydrophobicContact CG1-CD 4.4Å; V190-K192 HydrophobicContact CG1-CG 3.91Å; V190-L205 CarbonylContact O-C 3.56Å; V190-L205 WeakPolarHBondContact O-CA 3.19Å; V190-N206 PolarHBondContact N-OD1 3.04Å; V190-N206 PolarHBondContact O-N 3.06Å; V190-F362 HydrophobicContact CB-CD1 4.19Å; V190-F362 HydrophobicContact CB-CE1 4.38Å; V190-F362 HydrophobicContact CG1-CD1 3.61Å; V190-F362 HydrophobicContact CG1-CD2 3.85Å; V190-F362 HydrophobicContact CG1-CE1 3.63Å; V190-F362 HydrophobicContact CG1-CE2 3.94Å; V190-F362 HydrophobicContact CG1-CG 3.71Å; V190-F362 HydrophobicContact CG1-CZ 3.82Å; V190-F362 HydrophobicContact CG2-CB 4.43Å; V190-F362 HydrophobicContact CG2-CD1 3.42Å; V190-F362 VanDerWaalsContact CG2-CD1 3.42Å; V190-F362 HydrophobicContact CG2-CE1 3.86Å; V190-F362 HydrophobicContact CG2-CG 4.04Å; V190-L366 HydrophobicContact CG2-CD1 3.31Å
191	Y	98.6	Very high	97.1	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.4	174.8	-61.9	-92	0	0	0	108.2	A112 Y113 V115 P152 V162 M183 H189 L205	A112-Y191 VanDerWaalsContact CA-O 3.23Å; A112-Y191 WeakPolarHBondContact CA-O 3.5Å; Y113-Y191 PolarHBondContact N-O 2.98Å; Y113-Y191 VanDerWaalsContact N-O 3.07Å; Y113-Y191 PolarHBondContact O-N 3.41Å; V115-Y191 HydrophobicContact CB-CD2 4.42Å; V115-Y191 HydrophobicContact CB-CE2 4.07Å; V115-Y191 HydrophobicContact CG2-CD2 4.09Å; V115-Y191 HydrophobicContact CG2-CE2 4.17Å; P152-Y191 HydrophobicContact CB-CE1 3.99Å; P152-Y191 HydrophobicContact CB-CE2 4.5Å; P152-Y191 HydrophobicContact CG-CD2 4.3Å; P152-Y191 HydrophobicContact CG-CE1 3.97Å; P152-Y191 HydrophobicContact CG-CE2 3.75Å; V162-Y191 HydrophobicContact CG1-CD1 4.05Å; V162-Y191 HydrophobicContact CG2-CD1 3.9Å; V162-Y191 HydrophobicContact CG2-CE1 3.55Å; M183-Y191 PolarHBondContact N-OH 2.96Å; M183-Y191 PolarHBondContact O-OH 2.86Å; H189-Y191 HydrophobicContact CB-CE2 3.86Å; Y191-L205 HydrophobicContact CD1-CD1 3.82Å; Y191-L205 HydrophobicContact CE1-CD1 3.45Å; Y191-L205 VanDerWaalsContact CE1-CD1 3.45Å; Y191-L205 HydrophobicContact CE2-CD1 4.45Å; Y191-L205 HydrophobicContact CG-CD1 4.46Å
192	K	98.6	Very high	97.1	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.03	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.8	174.3	-31.7	-172.4	178.3	87.4	0	110.9	I111 A112 F150 V190 I203 W204 N206 M355	I111-K192 CarbonylContact O-C 3.57Å; I111-K192 VanDerWaalsContact O-CA 3.3Å; I111-K192 WeakPolarHBondContact O-CA 3.47Å; A112-K192 HydrophobicContact CB-CB 3.92Å; A112-K192 HydrophobicContact CB-CD 4.15Å; A112-K192 HydrophobicContact CB-CG 3.75Å; F150-K192 VanDerWaalsContact CZ-C 3.41Å; V190-K192 HydrophobicContact CG1-CD 4.4Å; V190-K192 HydrophobicContact CG1-CG 3.91Å; K192-I203 WeakPolarHBondContact O-CA 3.44Å; K192-W204 HydrophobicContact CB-CB 4Å; K192-W204 HydrophobicContact CD-CB 4.45Å; K192-W204 HydrophobicContact CG-CB 4.15Å; K192-W204 PolarHBondContact N-O 2.93Å; K192-W204 PolarHBondContact O-N 2.75Å; K192-N206 PolarHBondContact NZ-O 2.93Å; K192-M355 HydrophobicContact CD-SD 4.31Å
193	L	98.8	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.4	168.5	174.8	62.6	0	0	0	108.1	I110 I111 I148 F150 I195 I203	I110-L193 WeakPolarHBondContact CA-O 3.46Å; I111-L193 PolarHBondContact N-O 2.77Å; I111-L193 PolarHBondContact O-N 2.81Å; I148-L193 HydrophobicContact CG2-CD2 3.91Å; F150-L193 HydrophobicContact CB-CD2 4.05Å; F150-L193 HydrophobicContact CD1-CB 3.73Å; F150-L193 HydrophobicContact CD2-CB 3.81Å; F150-L193 HydrophobicContact CD2-CD2 4.03Å; F150-L193 HydrophobicContact CD2-CG 4.39Å; F150-L193 HydrophobicContact CE1-CB 3.7Å; F150-L193 HydrophobicContact CE2-CB 3.8Å; F150-L193 HydrophobicContact CG-CB 3.78Å; F150-L193 HydrophobicContact CG-CD2 3.97Å; F150-L193 HydrophobicContact CG-CG 4.5Å; F150-L193 HydrophobicContact CZ-CB 3.74Å; L193-I195 HydrophobicContact CD1-CG1 4.43Å; L193-I195 HydrophobicContact CD2-CD1 4.32Å; L193-I195 HydrophobicContact CG-CG1 4.33Å; L193-I203 HydrophobicContact CD1-CG1 3.88Å
194	A	98.6	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	172.1	0	0	0	0	0	110.4	L109 I110 Y196 Y201 E202 M355	L109-A194 CarbonylContact O-C 3.52Å; L109-A194 WeakPolarHBondContact O-CA 3.49Å; I110-A194 HydrophobicContact CG1-CB 3.9Å; A194-Y196 HydrophobicContact CB-CD2 4.43Å; A194-Y196 HydrophobicContact CB-CE2 3.62Å; A194-Y201 CarbonylContact O-C 3.49Å; A194-Y201 WeakPolarHBondContact O-CA 3.09Å; A194-Y201 VanDerWaalsContact O-CB 3.3Å; A194-Y201 WeakPolarHBondContact O-CB 3.36Å; A194-E202 HydrophobicContact CB-CB 4.31Å; A194-E202 PolarHBondContact N-O 2.94Å; A194-E202 PolarHBondContact O-N 2.99Å; A194-M355 HydrophobicContact CB-CE 3.43Å; A194-M355 VanDerWaalsContact CB-CE 3.43Å
195	I	98.6	Very high	97.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124	175.5	-65	175.2	0	0	0	107.7	P108 L109 I148 L166 L193 L215 H325 Y327	P108-I195 CarbonylContact C-O 3.56Å; P108-I195 WeakPolarHBondContact CA-O 3.46Å; L109-I195 PolarHBondContact N-O 3.48Å; L109-I195 PolarHBondContact O-N 3.37Å; I148-I195 HydrophobicContact CD1-CD1 4.22Å; L166-I195 HydrophobicContact CD2-CD1 4.16Å; L193-I195 HydrophobicContact CD1-CG1 4.43Å; L193-I195 HydrophobicContact CD2-CD1 4.32Å; L193-I195 HydrophobicContact CG-CG1 4.33Å; I195-L215 HydrophobicContact CG2-CD1 4.02Å; I195-H325 HydrophobicContact CG2-CB 3.63Å; I195-Y327 HydrophobicContact CD1-CE2 3.76Å
196	Y	98.2	Very high	97.8	Very high	47 Å²	47	22.4 Å²	22.4	18%	0.184	11%	0.113	C	C	.	.			trans	-109.3	154.7	-169.8	-65	-85.3	0	0	0	112.8	P108 A194 N198 N199 T200 E202 H325	P108-Y196 HydrophobicContact CB-CD1 3.83Å; P108-Y196 HydrophobicContact CB-CE1 4Å; P108-Y196 HydrophobicContact CG-CD1 3.77Å; P108-Y196 HydrophobicContact CG-CE1 4.02Å; A194-Y196 HydrophobicContact CB-CD2 4.43Å; A194-Y196 HydrophobicContact CB-CE2 3.62Å; Y196-N198 WeakPolarHBondContact CB-OD1 3.49Å; Y196-N198 PolarHBondContact O-N 2.83Å; Y196-N199 PolarHBondContact O-N 3.16Å; Y196-T200 PolarHBondContact N-O 3.49Å; Y196-E202 HydrophobicContact CE2-CB 4.39Å; Y196-E202 HydrophobicContact CE2-CG 3.84Å; Y196-E202 PolarHBondContact OH-OE2 3.38Å; Y196-H325 VanDerWaalsContact O-CB 3.23Å; Y196-H325 WeakPolarHBondContact O-CB 3.35Å
197	P	97.5	Very high	97.9	Very high	49 Å²	49	27.3 Å²	27.3	32%	0.318	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.4	179.8	-28.7	37.2	0	0	0	116.5	N199 H325	P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 2.9Å; P197-H325 PolarHBondContact O-CE1 3.34Å; P197-H325 PolarHBondContact O-ND1 2.88Å
198	N	96.4	Very high	97.9	Very high	103 Å²	103	32.1 Å²	32.1	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	17.5	176.3	64.9	-8.5	0	0	0	113.1	Y196 T200	Y196-N198 WeakPolarHBondContact CB-OD1 3.49Å; Y196-N198 PolarHBondContact O-N 2.83Å; N198-T200 PolarHBondContact ND2-OG1 3.45Å; N198-T200 PolarHBondContact O-N 3.31Å; N198-T200 WeakPolarHBondContact OD1-CB 3.17Å; N198-T200 PolarHBondContact OD1-N 2.93Å; N198-T200 PolarHBondContact OD1-OG1 3.08Å
199	N	97.5	Very high	98	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	17%	0.172	C	C	.	.	S	Bend	trans	57.5	26.8	-174.4	-62.2	-45.5	0	0	0	114.3	Y196 P197 Y214 L215 P322 L324 H325	Y196-N199 PolarHBondContact O-N 3.16Å; P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 2.9Å; N199-Y214 WeakPolarHBondContact O-CA 3.28Å; N199-L215 HydrophobicContact CB-CD1 4.41Å; N199-L215 WeakPolarHBondContact O-CG 3.3Å; N199-L215 PolarHBondContact O-N 2.76Å; N199-P322 PolarHBondContact ND2-O 2.64Å; N199-P322 PolarHBondContact OD1-O 3.09Å; N199-L324 PolarHBondContact OD1-N 3.29Å; N199-H325 WeakPolarHBondContact OD1-CB 3.14Å; N199-H325 PolarHBondContact OD1-N 2.91Å; N199-H325 PolarHBondContact OD1-ND1 3.33Å
200	T	98.5	Very high	98	Very high	26 Å²	26	38.7 Å²	38.7	16%	0.16	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	161.4	167.9	66.8	0	0	0	0	110.8	Y196 N198 G213 Y214	Y196-T200 PolarHBondContact N-O 3.49Å; N198-T200 PolarHBondContact ND2-OG1 3.45Å; N198-T200 PolarHBondContact O-N 3.31Å; N198-T200 WeakPolarHBondContact OD1-CB 3.17Å; N198-T200 PolarHBondContact OD1-N 2.93Å; N198-T200 PolarHBondContact OD1-OG1 3.08Å; T200-G213 CarbonylContact C-O 3.57Å; T200-G213 WeakPolarHBondContact CA-O 3.34Å; T200-G213 VanDerWaalsContact CB-O 3.31Å; T200-G213 WeakPolarHBondContact CB-O 3.3Å; T200-Y214 HydrophobicContact CG2-CD1 3.73Å; T200-Y214 HydrophobicContact CG2-CE1 3.67Å; T200-Y214 HydrophobicContact CG2-CG 4.45Å
201	Y	98.6	Very high	98	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.5	175.9	78.1	-76.8	0	0	0	110.9	R175 A194 I203 A211 S212 G213 L215 D218 W219	R175-Y201 WeakPolarHBondContact CD-OH 3.26Å; R175-Y201 PolarHBondContact NE-OH 2.86Å; A194-Y201 CarbonylContact O-C 3.49Å; A194-Y201 WeakPolarHBondContact O-CA 3.09Å; A194-Y201 VanDerWaalsContact O-CB 3.3Å; A194-Y201 WeakPolarHBondContact O-CB 3.36Å; Y201-I203 HydrophobicContact CD2-CD1 4.42Å; Y201-I203 HydrophobicContact CD2-CG1 4.05Å; Y201-I203 HydrophobicContact CE2-CD1 4.01Å; Y201-I203 HydrophobicContact CE2-CG1 4.01Å; Y201-A211 HydrophobicContact CE2-CB 4.28Å; Y201-S212 VanDerWaalsContact O-CA 3.23Å; Y201-S212 WeakPolarHBondContact O-CA 3.4Å; Y201-S212 WeakPolarHBondContact O-CB 3.45Å; Y201-G213 VanDerWaalsContact CD1-O 3.31Å; Y201-G213 WeakPolarHBondContact CD1-O 3.41Å; Y201-G213 VanDerWaalsContact CE1-C 3.49Å; Y201-G213 VanDerWaalsContact CE1-CA 3.47Å; Y201-G213 VanDerWaalsContact CE1-N 3.3Å; Y201-G213 PolarHBondContact N-O 3.1Å; Y201-G213 PolarHBondContact O-N 2.66Å; Y201-L215 HydrophobicContact CD1-CD2 4.25Å; Y201-L215 HydrophobicContact CG-CD2 4.33Å; Y201-D218 HydrophobicContact CE1-CB 3.91Å; Y201-D218 WeakPolarHBondContact CE1-OD2 3.46Å; Y201-D218 VanDerWaalsContact CZ-OD2 3.24Å; Y201-D218 PolarHBondContact OH-OD2 3.43Å; Y201-W219 AromaticContact CD1-CH2 3.91Å; Y201-W219 HydrophobicContact CD1-CH2 3.91Å; Y201-W219 AromaticContact CD1-CZ3 3.44Å; Y201-W219 HydrophobicContact CD1-CZ3 3.44Å; Y201-W219 VanDerWaalsContact CD1-CZ3 3.44Å; Y201-W219 AromaticContact CD2-CH2 3.66Å; Y201-W219 HydrophobicContact CD2-CH2 3.66Å; Y201-W219 HydrophobicContact CD2-CZ3 4.07Å; Y201-W219 HydrophobicContact CE1-CE3 4.48Å; Y201-W219 AromaticContact CE1-CH2 3.94Å; Y201-W219 HydrophobicContact CE1-CH2 3.94Å; Y201-W219 AromaticContact CE1-CZ3 3.4Å; Y201-W219 HydrophobicContact CE1-CZ3 3.4Å; Y201-W219 AromaticContact CE2-CH2 3.69Å; Y201-W219 HydrophobicContact CE2-CH2 3.69Å; Y201-W219 HydrophobicContact CE2-CZ3 4.05Å; Y201-W219 AromaticContact CG-CH2 3.75Å; Y201-W219 HydrophobicContact CG-CH2 3.75Å; Y201-W219 AromaticContact CG-CZ3 3.77Å; Y201-W219 HydrophobicContact CG-CZ3 3.77Å; Y201-W219 AromaticContact CZ-CH2 3.82Å; Y201-W219 AromaticContact CZ-CZ3 3.71Å
202	E	98.6	Very high	98	Very high	30 Å²	30	42.1 Å²	42.1	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141	167.8	-60.8	-179.1	140.7	0	0	110.4	A194 Y196 W204 K209 A211	A194-E202 HydrophobicContact CB-CB 4.31Å; A194-E202 PolarHBondContact N-O 2.94Å; A194-E202 PolarHBondContact O-N 2.99Å; Y196-E202 HydrophobicContact CE2-CB 4.39Å; Y196-E202 HydrophobicContact CE2-CG 3.84Å; Y196-E202 PolarHBondContact OH-OE2 3.38Å; E202-W204 PolarHBondContact OE2-NE1 3.02Å; E202-K209 HydrophobicContact CB-CD 4.16Å; E202-K209 HydrophobicContact CG-CD 3.87Å; E202-K209 VanDerWaalsContact OE1-CD 3.25Å; E202-K209 WeakPolarHBondContact OE1-CD 3.47Å; E202-K209 IonicContact OE1-NZ 3.44Å; E202-K209 PolarHBondContact OE1-NZ 2.87Å; E202-A211 CarbonylContact C-O 3.55Å; E202-A211 WeakPolarHBondContact CA-O 3.49Å
203	I	98.7	Very high	97.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.4	168.4	-61.7	172.9	0	0	0	107.6	F150 V162 A164 V180 K192 L193 Y201 E210 A211	F150-I203 HydrophobicContact CE2-CG1 4.47Å; F150-I203 HydrophobicContact CE2-CG2 4.06Å; F150-I203 HydrophobicContact CZ-CG2 4.35Å; V162-I203 HydrophobicContact CG1-CG2 4.49Å; A164-I203 HydrophobicContact CB-CD1 3.73Å; V180-I203 HydrophobicContact CG1-CG2 4.35Å; V180-I203 HydrophobicContact CG2-CG2 4.32Å; K192-I203 WeakPolarHBondContact O-CA 3.44Å; L193-I203 HydrophobicContact CD1-CG1 3.88Å; Y201-I203 HydrophobicContact CD2-CD1 4.42Å; Y201-I203 HydrophobicContact CD2-CG1 4.05Å; Y201-I203 HydrophobicContact CE2-CD1 4.01Å; Y201-I203 HydrophobicContact CE2-CG1 4.01Å; I203-E210 PolarHBondContact O-N 3.25Å; I203-A211 HydrophobicContact CB-CB 4.18Å; I203-A211 HydrophobicContact CD1-CB 4.44Å; I203-A211 PolarHBondContact N-O 3.42Å; I203-A211 PolarHBondContact O-N 2.9Å
204	W	98.5	Very high	97.8	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.4	178.1	-63.9	72.6	0	0	0	110.1	K192 E202 K207 K208 K209	K192-W204 HydrophobicContact CB-CB 4Å; K192-W204 HydrophobicContact CD-CB 4.45Å; K192-W204 HydrophobicContact CG-CB 4.15Å; K192-W204 PolarHBondContact N-O 2.93Å; K192-W204 PolarHBondContact O-N 2.75Å; E202-W204 PolarHBondContact OE2-NE1 3.02Å; W204-K207 WeakPolarHBondContact CZ3-O 3.43Å; W204-K208 VanDerWaalsContact CA-O 3.29Å; W204-K208 WeakPolarHBondContact CA-O 3.34Å; W204-K209 HydrophobicContact CD2-CB 3.92Å; W204-K209 HydrophobicContact CD2-CG 4.37Å; W204-K209 HydrophobicContact CE3-CB 3.96Å; W204-K209 HydrophobicContact CH2-CB 3.91Å; W204-K209 HydrophobicContact CH2-CD 4.49Å; W204-K209 HydrophobicContact CZ2-CB 3.89Å; W204-K209 HydrophobicContact CZ2-CD 3.8Å; W204-K209 HydrophobicContact CZ2-CG 4.2Å; W204-K209 HydrophobicContact CZ3-CB 3.95Å
205	L	98	Very high	97.8	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.1	169.4	179	56.6	0	0	0	107.7	V181 M183 H189 V190 Y191 K207 K208 E210	V181-L205 WeakPolarHBondContact O-CD2 3.29Å; M183-L205 HydrophobicContact CG-CD1 3.95Å; M183-L205 HydrophobicContact CG-CD2 3.75Å; M183-L205 HydrophobicContact CG-CG 4.14Å; M183-L205 HydrophobicContact SD-CD2 4.05Å; H189-L205 HydrophobicContact CB-CD1 4.42Å; V190-L205 CarbonylContact O-C 3.56Å; V190-L205 WeakPolarHBondContact O-CA 3.19Å; Y191-L205 HydrophobicContact CD1-CD1 3.82Å; Y191-L205 HydrophobicContact CE1-CD1 3.45Å; Y191-L205 VanDerWaalsContact CE1-CD1 3.45Å; Y191-L205 HydrophobicContact CE2-CD1 4.45Å; Y191-L205 HydrophobicContact CG-CD1 4.46Å; L205-K207 PolarHBondContact O-N 3.34Å; L205-K207 VanDerWaalsContact O-N 3.08Å; L205-K208 PolarHBondContact N-O 3.16Å; L205-K208 PolarHBondContact O-N 3.48Å; L205-E210 HydrophobicContact CB-CG 3.61Å; L205-E210 HydrophobicContact CD2-CG 4.39Å
206	N	96.8	Very high	97.6	Very high	38 Å²	38	50.5 Å²	50.5	20%	0.203	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-112.3	-172	-56.1	-45.8	0	0	0	111.2	H189 V190 K192	H189-N206 VanDerWaalsContact CA-OD1 3.26Å; H189-N206 WeakPolarHBondContact CA-OD1 3.46Å; H189-N206 PolarHBondContact ND1-ND2 2.97Å; H189-N206 VanDerWaalsContact ND1-ND2 3.16Å; H189-N206 PolarHBondContact ND1-OD1 2.98Å; V190-N206 PolarHBondContact N-OD1 3.04Å; V190-N206 PolarHBondContact O-N 3.06Å; K192-N206 PolarHBondContact NZ-O 2.93Å
207	K	95.5	Very high	97.5	Very high	162 Å²	162	52.9 Å²	52.9	70%	0.704	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-8.3	177.9	-61.4	-179.5	-176.1	175.2	0	113	W204 L205	W204-K207 WeakPolarHBondContact CZ3-O 3.43Å; L205-K207 PolarHBondContact O-N 3.34Å; L205-K207 VanDerWaalsContact O-N 3.08Å
208	K	97.5	Very high	97.5	Very high	122 Å²	122	52.3 Å²	52.3	53%	0.53	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.2	-173.6	-179	166	166.2	-115.4	0	111.1	W204 L205 E210	W204-K208 VanDerWaalsContact CA-O 3.29Å; W204-K208 WeakPolarHBondContact CA-O 3.34Å; L205-K208 PolarHBondContact N-O 3.16Å; L205-K208 PolarHBondContact O-N 3.48Å; K208-E210 WeakPolarHBondContact CD-OE1 3.34Å; K208-E210 WeakPolarHBondContact CE-OE1 3.32Å; K208-E210 WeakPolarHBondContact CG-OE1 3.45Å; K208-E210 IonicContact NZ-OE1 3.41Å; K208-E210 PolarHBondContact NZ-OE1 2.97Å; K208-E210 IonicContact NZ-OE2 3.51Å; K208-E210 PolarHBondContact NZ-OE2 2.87Å; K208-E210 PolarHBondContact O-N 3.07Å
209	K	98	Very high	97.6	Very high	92 Å²	92	47.5 Å²	47.5	40%	0.4	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.8	167.9	-173.9	162.9	73.8	-174.1	0	108.1	E202 W204	E202-K209 HydrophobicContact CB-CD 4.16Å; E202-K209 HydrophobicContact CG-CD 3.87Å; E202-K209 VanDerWaalsContact OE1-CD 3.25Å; E202-K209 WeakPolarHBondContact OE1-CD 3.47Å; E202-K209 IonicContact OE1-NZ 3.44Å; E202-K209 PolarHBondContact OE1-NZ 2.87Å; W204-K209 HydrophobicContact CD2-CB 3.92Å; W204-K209 HydrophobicContact CD2-CG 4.37Å; W204-K209 HydrophobicContact CE3-CB 3.96Å; W204-K209 HydrophobicContact CH2-CB 3.91Å; W204-K209 HydrophobicContact CH2-CD 4.49Å; W204-K209 HydrophobicContact CZ2-CB 3.89Å; W204-K209 HydrophobicContact CZ2-CD 3.8Å; W204-K209 HydrophobicContact CZ2-CG 4.2Å; W204-K209 HydrophobicContact CZ3-CB 3.95Å
210	E	98.1	Very high	97.5	Very high	66 Å²	66	52.3 Å²	52.3	31%	0.308	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-29.6	-176.7	-67.5	-62.7	160.2	0	0	112.1	V180 I203 L205 K208	V180-E210 HydrophobicContact CB-CB 4.44Å; V180-E210 HydrophobicContact CG1-CB 3.68Å; V180-E210 HydrophobicContact CG1-CG 3.99Å; V180-E210 HydrophobicContact CG2-CB 3.92Å; I203-E210 PolarHBondContact O-N 3.25Å; L205-E210 HydrophobicContact CB-CG 3.61Å; L205-E210 HydrophobicContact CD2-CG 4.39Å; K208-E210 WeakPolarHBondContact CD-OE1 3.34Å; K208-E210 WeakPolarHBondContact CE-OE1 3.32Å; K208-E210 WeakPolarHBondContact CG-OE1 3.45Å; K208-E210 IonicContact NZ-OE1 3.41Å; K208-E210 PolarHBondContact NZ-OE1 2.97Å; K208-E210 IonicContact NZ-OE2 3.51Å; K208-E210 PolarHBondContact NZ-OE2 2.87Å; K208-E210 PolarHBondContact O-N 3.07Å
211	A	98.1	Very high	97.3	Very high	12 Å²	12	51.8 Å²	51.8	10%	0.099	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.5	175.3	0	0	0	0	0	111.8	R175 V180 Y201 E202 I203	R175-A211 VanDerWaalsContact NH2-CB 3.35Å; V180-A211 HydrophobicContact CG2-CB 3.91Å; Y201-A211 HydrophobicContact CE2-CB 4.28Å; E202-A211 CarbonylContact C-O 3.55Å; E202-A211 WeakPolarHBondContact CA-O 3.49Å; I203-A211 HydrophobicContact CB-CB 4.18Å; I203-A211 HydrophobicContact CD1-CB 4.44Å; I203-A211 PolarHBondContact N-O 3.42Å; I203-A211 PolarHBondContact O-N 2.9Å
212	S	98.1	Very high	97.2	Very high	65 Å²	65	52.5 Å²	52.5	46%	0.455	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	148.5	169.2	59	0	0	0	0	110.1	Y201	Y201-S212 VanDerWaalsContact O-CA 3.23Å; Y201-S212 WeakPolarHBondContact O-CA 3.4Å; Y201-S212 WeakPolarHBondContact O-CB 3.45Å
213	G	97.6	Very high	97	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-159.2	-178.7	0	0	0	0	0	112.6	T200 Y201	T200-G213 CarbonylContact C-O 3.57Å; T200-G213 WeakPolarHBondContact CA-O 3.34Å; T200-G213 VanDerWaalsContact CB-O 3.31Å; T200-G213 WeakPolarHBondContact CB-O 3.3Å; Y201-G213 VanDerWaalsContact CD1-O 3.31Å; Y201-G213 WeakPolarHBondContact CD1-O 3.41Å; Y201-G213 VanDerWaalsContact CE1-C 3.49Å; Y201-G213 VanDerWaalsContact CE1-CA 3.47Å; Y201-G213 VanDerWaalsContact CE1-N 3.3Å; Y201-G213 PolarHBondContact N-O 3.1Å; Y201-G213 PolarHBondContact O-N 2.66Å
214	Y	97.3	Very high	96.7	Very high	138 Å²	138	59.7 Å²	59.7	54%	0.541	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.3	177	-65.4	-88.8	0	0	0	109.7	N199 T200 E216 N217 D218	N199-Y214 WeakPolarHBondContact O-CA 3.28Å; T200-Y214 HydrophobicContact CG2-CD1 3.73Å; T200-Y214 HydrophobicContact CG2-CE1 3.67Å; T200-Y214 HydrophobicContact CG2-CG 4.45Å; Y214-E216 PolarHBondContact O-N 3.28Å; Y214-N217 PolarHBondContact O-N 3.36Å; Y214-D218 PolarHBondContact O-N 3.22Å
215	L	97.8	Very high	96.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-53.4	-39.5	177.8	-66.9	179	0	0	0	112	L166 I195 N199 Y201 N217 W219 M221 L324 H325	L166-L215 HydrophobicContact CD1-CD2 3.77Å; I195-L215 HydrophobicContact CG2-CD1 4.02Å; N199-L215 HydrophobicContact CB-CD1 4.41Å; N199-L215 WeakPolarHBondContact O-CG 3.3Å; N199-L215 PolarHBondContact O-N 2.76Å; Y201-L215 HydrophobicContact CD1-CD2 4.25Å; Y201-L215 HydrophobicContact CG-CD2 4.33Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.11Å; L215-W219 HydrophobicContact CD2-CE3 3.92Å; L215-W219 HydrophobicContact CD2-CH2 4.22Å; L215-W219 HydrophobicContact CD2-CZ3 3.66Å; L215-W219 PolarHBondContact O-N 3.17Å; L215-W219 VanDerWaalsContact O-N 3.08Å; L215-M221 HydrophobicContact CB-CE 3.93Å; L215-L324 HydrophobicContact CD1-CB 4.18Å; L215-H325 HydrophobicContact CD1-CB 3.99Å
216	E	95.1	Very high	96.4	Very high	27 Å²	27	66.9 Å²	66.9	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-31.1	-179.8	-158	-167.7	108.3	0	0	113.6	Y214 V222 R225 F318 L324	Y214-E216 PolarHBondContact O-N 3.28Å; E216-V222 HydrophobicContact CG-CG2 3.4Å; E216-V222 VanDerWaalsContact CG-CG2 3.4Å; E216-R225 VanDerWaalsContact OE1-CD 3.31Å; E216-R225 WeakPolarHBondContact OE1-CD 3.41Å; E216-R225 WeakPolarHBondContact OE1-CG 3.45Å; E216-R225 IonicContact OE1-CZ 2.99Å; E216-R225 IonicContact OE1-NE 2.67Å; E216-R225 PolarHBondContact OE1-NE 3.34Å; E216-R225 IonicContact OE1-NH2 3.33Å; E216-R225 IonicContact OE2-CZ 2.66Å; E216-R225 IonicContact OE2-NE 3.08Å; E216-R225 PolarHBondContact OE2-NE 3.44Å; E216-R225 IonicContact OE2-NH2 3.74Å; E216-R225 PolarHBondContact OE2-NH2 2.81Å; E216-F318 HydrophobicContact CG-CE2 4.44Å; E216-F318 WeakPolarHBondContact OE1-CE2 3.09Å; E216-F318 WeakPolarHBondContact OE1-CZ 3.46Å; E216-L324 HydrophobicContact CB-CD1 4.17Å; E216-L324 HydrophobicContact CG-CD1 4.3Å
217	N	95.1	Very high	96.3	Very high	97 Å²	97	67.6 Å²	67.6	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-90	-40.1	-177.3	-66.1	-17.6	0	0	0	111.2	Y214 L215	Y214-N217 PolarHBondContact O-N 3.36Å; L215-N217 VanDerWaalsContact C-N 3.28Å; L215-N217 PolarHBondContact O-N 3.11Å
218	D	97.4	Very high	96.3	Very high	37 Å²	37	63.6 Å²	63.6	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-94.2	-9.6	-168	-65.2	3	0	0	0	112.1	R175 K176 Y201 Y214	R175-D218 CarbonylContact C-O 3.57Å; R175-D218 HydrophobicContact CG-CB 4.36Å; K176-D218 WeakPolarHBondContact CB-O 3.37Å; K176-D218 PolarHBondContact N-O 2.82Å; Y201-D218 HydrophobicContact CE1-CB 3.91Å; Y201-D218 WeakPolarHBondContact CE1-OD2 3.46Å; Y201-D218 VanDerWaalsContact CZ-OD2 3.24Å; Y201-D218 PolarHBondContact OH-OD2 3.43Å; Y214-D218 PolarHBondContact O-N 3.22Å
219	W	97.7	Very high	96.2	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	30%	0.302	C	S	.	.	S	Bend	trans	-127	138.8	168	-72	-100.1	0	0	0	111.3	A164 L166 F173 R175 Y201 L215 M221	A164-W219 HydrophobicContact CB-CZ2 3.95Å; A164-W219 WeakPolarHBondContact O-CZ2 3.34Å; A164-W219 PolarHBondContact O-NE1 2.58Å; L166-W219 HydrophobicContact CD1-CD2 3.84Å; L166-W219 HydrophobicContact CD1-CE3 4.32Å; L166-W219 HydrophobicContact CD1-CG 4.23Å; L166-W219 HydrophobicContact CD1-CH2 4.36Å; L166-W219 HydrophobicContact CD1-CZ2 3.89Å; L166-W219 HydrophobicContact CG-CD2 4.35Å; L166-W219 HydrophobicContact CG-CZ2 4.05Å; F173-W219 HydrophobicContact CB-CB 4.33Å; F173-W219 PolarHBondContact O-NE1 3.29Å; R175-W219 HydrophobicContact CB-CD2 4.36Å; R175-W219 HydrophobicContact CB-CH2 4.1Å; R175-W219 HydrophobicContact CB-CZ2 3.48Å; R175-W219 VanDerWaalsContact CB-CZ2 3.48Å; R175-W219 HydrophobicContact CG-CD2 4.41Å; R175-W219 HydrophobicContact CG-CE3 4.44Å; R175-W219 HydrophobicContact CG-CH2 3.66Å; R175-W219 HydrophobicContact CG-CZ2 3.59Å; R175-W219 HydrophobicContact CG-CZ3 4.08Å; Y201-W219 AromaticContact CD1-CH2 3.91Å; Y201-W219 HydrophobicContact CD1-CH2 3.91Å; Y201-W219 AromaticContact CD1-CZ3 3.44Å; Y201-W219 HydrophobicContact CD1-CZ3 3.44Å; Y201-W219 VanDerWaalsContact CD1-CZ3 3.44Å; Y201-W219 AromaticContact CD2-CH2 3.66Å; Y201-W219 HydrophobicContact CD2-CH2 3.66Å; Y201-W219 HydrophobicContact CD2-CZ3 4.07Å; Y201-W219 HydrophobicContact CE1-CE3 4.48Å; Y201-W219 AromaticContact CE1-CH2 3.94Å; Y201-W219 HydrophobicContact CE1-CH2 3.94Å; Y201-W219 AromaticContact CE1-CZ3 3.4Å; Y201-W219 HydrophobicContact CE1-CZ3 3.4Å; Y201-W219 AromaticContact CE2-CH2 3.69Å; Y201-W219 HydrophobicContact CE2-CH2 3.69Å; Y201-W219 HydrophobicContact CE2-CZ3 4.05Å; Y201-W219 AromaticContact CG-CH2 3.75Å; Y201-W219 HydrophobicContact CG-CH2 3.75Å; Y201-W219 AromaticContact CG-CZ3 3.77Å; Y201-W219 HydrophobicContact CG-CZ3 3.77Å; Y201-W219 AromaticContact CZ-CH2 3.82Å; Y201-W219 AromaticContact CZ-CZ3 3.71Å; L215-W219 HydrophobicContact CD2-CE3 3.92Å; L215-W219 HydrophobicContact CD2-CH2 4.22Å; L215-W219 HydrophobicContact CD2-CZ3 3.66Å; L215-W219 PolarHBondContact O-N 3.17Å; L215-W219 VanDerWaalsContact O-N 3.08Å; W219-M221 HydrophobicContact CB-CE 3.86Å; W219-M221 HydrophobicContact CB-CG 3.84Å; W219-M221 HydrophobicContact CB-SD 4.39Å; W219-M221 HydrophobicContact CG-CE 4.34Å; W219-M221 PolarHBondContact O-N 3.33Å
220	E	95.9	Very high	96	Very high	123 Å²	123	60 Å²	60	58%	0.575	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	33.5	175.2	-90.9	172.7	160	0	0	114.4	F173 K176 V222	F173-E220 HydrophobicContact CD1-CB 3.91Å; F173-E220 WeakPolarHBondContact CD1-O 3.45Å; F173-E220 HydrophobicContact CE1-CB 4.24Å; F173-E220 WeakPolarHBondContact CE1-O 3.23Å; K176-E220 HydrophobicContact CD-CG 4.44Å; K176-E220 WeakPolarHBondContact CE-OE1 3.44Å; K176-E220 VanDerWaalsContact CE-OE2 3.3Å; K176-E220 WeakPolarHBondContact CE-OE2 3.41Å; K176-E220 IonicContact NZ-OE1 2.9Å; K176-E220 PolarHBondContact NZ-OE1 3.26Å; K176-E220 IonicContact NZ-OE2 3.7Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 2.75Å
221	M	95.6	Very high	95.8	Very high	15 Å²	15	63 Å²	63	7%	0.074	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.5	179.3	-67.2	-172.5	-71.1	0	0	112	L166 H168 F173 L215 W219 L324	L166-M221 HydrophobicContact CB-SD 4.14Å; L166-M221 HydrophobicContact CD1-CE 4.15Å; L166-M221 HydrophobicContact CD1-SD 4.45Å; H168-M221 HydrophobicContact CB-CB 4.06Å; H168-M221 HydrophobicContact CB-CG 3.72Å; H168-M221 HydrophobicContact CB-SD 3.71Å; H168-M221 PolarHBondContact CD2-O 2.83Å; F173-M221 HydrophobicContact CB-CG 4.25Å; F173-M221 HydrophobicContact CD2-CB 4.49Å; F173-M221 HydrophobicContact CD2-CG 3.7Å; F173-M221 HydrophobicContact CE2-CG 4.24Å; F173-M221 HydrophobicContact CG-CG 4.02Å; L215-M221 HydrophobicContact CB-CE 3.93Å; W219-M221 HydrophobicContact CB-CE 3.86Å; W219-M221 HydrophobicContact CB-CG 3.84Å; W219-M221 HydrophobicContact CB-SD 4.39Å; W219-M221 HydrophobicContact CG-CE 4.34Å; W219-M221 PolarHBondContact O-N 3.33Å; M221-L324 HydrophobicContact CB-CD2 4.25Å; M221-L324 HydrophobicContact CE-CB 4.41Å; M221-L324 HydrophobicContact CE-CD1 4.49Å; M221-L324 HydrophobicContact CE-CD2 4.26Å; M221-L324 HydrophobicContact SD-CD2 4.49Å
222	V	94.8	Very high	95.6	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.109	34%	0.339	C	S	.	.	S	Bend	trans	-126.7	164.9	177.4	-60.5	0	0	0	0	110.9	E216 E220 F318 E321 L324	E216-V222 HydrophobicContact CG-CG2 3.4Å; E216-V222 VanDerWaalsContact CG-CG2 3.4Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 2.75Å; V222-F318 HydrophobicContact CG2-CE2 4.32Å; V222-E321 HydrophobicContact CG1-CB 4.13Å; V222-E321 HydrophobicContact CG1-CG 3.89Å; V222-L324 HydrophobicContact CG1-CD1 4.41Å; V222-L324 HydrophobicContact CG1-CD2 4.04Å; V222-L324 HydrophobicContact CG2-CD1 4.44Å
223	K	94.5	Very high	95.4	Very high	112 Å²	112	69.4 Å²	69.4	49%	0.487	36%	0.355	S	S	.	.			trans	-62.5	150.5	173.3	-65.8	-66.1	-173.1	163.5	0	110.1	E317 F318	K223-E317 IonicContact NZ-OE2 3.73Å; K223-F318 WeakPolarHBondContact O-CD2 3.31Å
224	P	94	Very high	95.2	Very high	71 Å²	71	72.4 Å²	72.4	46%	0.461	36%	0.363	S	S	.	.			trans	-69.1	147.7	177	29.4	-35.3	0	0	0	110.7	T226 I227 N315	P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 2.73Å; P224-I227 HydrophobicContact CG-CG2 4.13Å; P224-N315 WeakPolarHBondContact O-CB 3.32Å; P224-N315 PolarHBondContact O-ND2 3.43Å
225	R	94.1	Very high	95.1	Very high	131 Å²	131	68.2 Å²	68.2	49%	0.494	35%	0.353	S	S	.	.	S	Bend	trans	-59.3	-36	175.4	-71.5	-176.1	-179.7	-96.9	-7.1	113.8	E216 N315 F318	E216-R225 VanDerWaalsContact OE1-CD 3.31Å; E216-R225 WeakPolarHBondContact OE1-CD 3.41Å; E216-R225 WeakPolarHBondContact OE1-CG 3.45Å; E216-R225 IonicContact OE1-CZ 2.99Å; E216-R225 IonicContact OE1-NE 2.67Å; E216-R225 PolarHBondContact OE1-NE 3.34Å; E216-R225 IonicContact OE1-NH2 3.33Å; E216-R225 IonicContact OE2-CZ 2.66Å; E216-R225 IonicContact OE2-NE 3.08Å; E216-R225 PolarHBondContact OE2-NE 3.44Å; E216-R225 IonicContact OE2-NH2 3.74Å; E216-R225 PolarHBondContact OE2-NH2 2.81Å; R225-N315 WeakPolarHBondContact O-CB 3.47Å; R225-N315 PolarHBondContact O-N 2.98Å; R225-F318 HydrophobicContact CG-CD1 4.01Å; R225-F318 HydrophobicContact CG-CD2 4.08Å; R225-F318 HydrophobicContact CG-CE1 3.66Å; R225-F318 HydrophobicContact CG-CE2 3.74Å; R225-F318 HydrophobicContact CG-CG 4.2Å; R225-F318 HydrophobicContact CG-CZ 3.52Å; R225-F318 VanDerWaalsContact CZ-CZ 3.46Å
226	T	95.1	Very high	94.8	Very high	57 Å²	57	78 Å²	78	35%	0.35	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	-178.7	64.5	0	0	0	0	110.3	P224 I313	P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 2.73Å; T226-I313 CarbonylContact C-O 3.56Å; T226-I313 WeakPolarHBondContact CA-O 3.46Å; T226-I313 WeakPolarHBondContact CB-O 3.46Å
227	I	95.1	Very high	94.7	Very high	53 Å²	53	81.9 Å²	81.9	27%	0.272	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	158.3	172.6	54.1	174.3	0	0	0	109.6	P224 D229 K312 I313 N315	P224-I227 HydrophobicContact CG-CG2 4.13Å; I227-D229 PolarHBondContact O-N 3.45Å; I227-K312 CarbonylContact O-C 3.56Å; I227-K312 VanDerWaalsContact O-CA 3.22Å; I227-K312 WeakPolarHBondContact O-CA 3.39Å; I227-I313 HydrophobicContact CG1-CG1 3.97Å; I227-I313 PolarHBondContact N-O 2.81Å; I227-I313 PolarHBondContact O-N 2.97Å; I227-N315 HydrophobicContact CG1-CB 4.2Å; I227-N315 HydrophobicContact CG2-CB 3.88Å
228	V	95.7	Very high	94.6	Very high	79 Å²	79	80.9 Å²	80.9	48%	0.479	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	131.7	166.5	172.5	0	0	0	0	108	P230 P310	V228-P230 WeakPolarHBondContact O-CD 3.35Å; V228-P230 VanDerWaalsContact O-N 3.08Å; V228-P310 HydrophobicContact CB-CG 4.48Å; V228-P310 HydrophobicContact CG1-CB 3.62Å; V228-P310 HydrophobicContact CG1-CG 3.36Å; V228-P310 HydrophobicContact CG2-CG 4.33Å
229	D	95.5	Very high	94.4	Very high	36 Å²	36	80.3 Å²	80.3	19%	0.193	41%	0.406	C	S	.	.			trans	-60.4	112.5	176.4	-179.8	0.7	0	0	0	109.5	I227 N231 A232 P311 I313	I227-D229 PolarHBondContact O-N 3.45Å; D229-N231 PolarHBondContact O-N 3.41Å; D229-N231 VanDerWaalsContact O-N 3.11Å; D229-N231 WeakPolarHBondContact OD1-CB 3.21Å; D229-N231 PolarHBondContact OD1-N 3.14Å; D229-N231 PolarHBondContact OD1-ND2 2.8Å; D229-A232 HydrophobicContact CB-CB 3.87Å; D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.37Å; D229-P311 HydrophobicContact CB-CG 4.26Å; D229-P311 WeakPolarHBondContact CB-O 3.18Å; D229-P311 PolarHBondContact N-O 3.28Å; D229-I313 HydrophobicContact CB-CD1 4.24Å; D229-I313 HydrophobicContact CB-CG1 4.19Å; D229-I313 HydrophobicContact CB-CG2 3.89Å
230	P	93.6	Very high	94.2	Very high	102 Å²	102	83.9 Å²	83.9	66%	0.662	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.7	-178.3	28.5	-35.2	0	0	0	112.6	V228	V228-P230 WeakPolarHBondContact O-CD 3.35Å; V228-P230 VanDerWaalsContact O-N 3.08Å
231	N	94.3	Very high	94.1	Very high	130 Å²	130	85.2 Å²	85.2	70%	0.695	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.8	178.4	-54.6	-64.5	0	0	0	113	D229 K233	D229-N231 PolarHBondContact O-N 3.41Å; D229-N231 VanDerWaalsContact O-N 3.11Å; D229-N231 WeakPolarHBondContact OD1-CB 3.21Å; D229-N231 PolarHBondContact OD1-N 3.14Å; D229-N231 PolarHBondContact OD1-ND2 2.8Å; N231-K233 PolarHBondContact O-N 3.38Å
232	A	93.7	Very high	94	Very high	27 Å²	27	88.9 Å²	88.9	22%	0.223	44%	0.442	C	S	.	.			trans	-66.7	132.7	-179.7	0	0	0	0	0	111.3	D229 W308 P310 P311	D229-A232 HydrophobicContact CB-CB 3.87Å; D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.37Å; A232-W308 HydrophobicContact CB-CH2 4.27Å; A232-W308 HydrophobicContact CB-CZ2 4.29Å; A232-P310 HydrophobicContact CB-CB 4.03Å; A232-P311 HydrophobicContact CB-CG 3.78Å
233	K	94.1	Very high	94	Very high	184 Å²	184	92.4 Å²	92.4	80%	0.8	46%	0.458	S	S	*	.			trans	-119.5	140.1	174.2	-65.3	-176.9	-179.2	-179.7	0	109.5	N231 P235 W308	N231-K233 PolarHBondContact O-N 3.38Å; K233-P235 WeakPolarHBondContact O-CD 3.43Å; K233-W308 WeakPolarHBondContact O-CZ2 3.07Å
234	K	93.5	Very high	94	Very high	82 Å²	82	88.3 Å²	88.3	36%	0.357	44%	0.441	S	S	.	.			trans	-58.6	125.9	172	-176.3	173.7	174.6	-172.1	0	108.9	W238 E240 W308	K234-W238 WeakPolarHBondContact CE-O 3.43Å; K234-W238 HydrophobicContact CG-CB 4.11Å; K234-W238 HydrophobicContact CG-CG 4.49Å; K234-E240 WeakPolarHBondContact CE-OE1 3.23Å; K234-E240 IonicContact NZ-OE1 2.72Å; K234-E240 PolarHBondContact NZ-OE1 2.8Å; K234-E240 VanDerWaalsContact NZ-OE1 3.08Å; K234-E240 IonicContact NZ-OE2 2.75Å; K234-E240 PolarHBondContact NZ-OE2 2.84Å; K234-W308 VanDerWaalsContact CA-CE2 3.43Å; K234-W308 HydrophobicContact CB-CD2 3.63Å; K234-W308 HydrophobicContact CB-CE3 3.65Å; K234-W308 HydrophobicContact CB-CG 4.12Å; K234-W308 HydrophobicContact CB-CH2 4.2Å; K234-W308 HydrophobicContact CB-CZ2 4.23Å; K234-W308 HydrophobicContact CB-CZ3 3.94Å; K234-W308 HydrophobicContact CD-CB 3.92Å; K234-W308 HydrophobicContact CD-CD2 4.34Å; K234-W308 HydrophobicContact CD-CE3 4.36Å; K234-W308 HydrophobicContact CD-CG 4.17Å; K234-W308 HydrophobicContact CG-CB 3.94Å; K234-W308 HydrophobicContact CG-CD2 3.76Å; K234-W308 HydrophobicContact CG-CE3 4.1Å; K234-W308 HydrophobicContact CG-CG 3.68Å; K234-W308 VanDerWaalsContact N-CH2 3.28Å; K234-W308 VanDerWaalsContact N-CZ2 3.29Å
235	P	93.6	Very high	94	Very high	50 Å²	50	88.6 Å²	88.6	33%	0.325	44%	0.443	S	S	.	.			trans	-57.6	140.7	175.2	-23.9	33.4	0	0	0	111	K233 D237 W238 W308	K233-P235 WeakPolarHBondContact O-CD 3.43Å; P235-D237 WeakPolarHBondContact CB-OD1 3.03Å; P235-D237 PolarHBondContact O-N 3.37Å; P235-W238 HydrophobicContact CB-CB 4.23Å; P235-W238 HydrophobicContact CG-CE3 4.29Å; P235-W238 VanDerWaalsContact O-CB 3.25Å; P235-W238 WeakPolarHBondContact O-CB 3.42Å; P235-W238 PolarHBondContact O-N 3Å; P235-W238 VanDerWaalsContact O-N 3.1Å; P235-W308 VanDerWaalsContact CD-NE1 3.34Å
236	E	93	Very high	94	Very high	206 Å²	206	84.1 Å²	84.1	96%	0.963	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27	-179.1	-64.6	-177.3	171.4	0	0	112.3	W238	E236-W238 VanDerWaalsContact C-N 3.3Å
237	D	92	Very high	93.8	Very high	108 Å²	108	86 Å²	86	58%	0.578	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	12.3	178	73.9	-42.7	0	0	0	113.2	P235 K305	P235-D237 WeakPolarHBondContact CB-OD1 3.03Å; P235-D237 PolarHBondContact O-N 3.37Å; D237-K305 VanDerWaalsContact CG-NZ 3.34Å; D237-K305 PolarHBondContact O-NZ 3.27Å; D237-K305 IonicContact OD1-NZ 3.35Å; D237-K305 IonicContact OD2-NZ 3.45Å; D237-K305 PolarHBondContact OD2-NZ 3.49Å
238	W	93.5	Very high	93.6	Very high	75 Å²	75	89.9 Å²	89.9	28%	0.284	46%	0.464	S	S	.	.			trans	-90.3	103.4	179.3	-163.6	-75.7	0	0	0	111.8	K234 P235 E236 K305 G306 W308	K234-W238 WeakPolarHBondContact CE-O 3.43Å; K234-W238 HydrophobicContact CG-CB 4.11Å; K234-W238 HydrophobicContact CG-CG 4.49Å; P235-W238 HydrophobicContact CB-CB 4.23Å; P235-W238 HydrophobicContact CG-CE3 4.29Å; P235-W238 VanDerWaalsContact O-CB 3.25Å; P235-W238 WeakPolarHBondContact O-CB 3.42Å; P235-W238 PolarHBondContact O-N 3Å; P235-W238 VanDerWaalsContact O-N 3.1Å; E236-W238 VanDerWaalsContact C-N 3.3Å; W238-K305 HydrophobicContact CD2-CB 3.71Å; W238-K305 HydrophobicContact CD2-CD 3.88Å; W238-K305 HydrophobicContact CD2-CG 4.45Å; W238-K305 VanDerWaalsContact CE2-CB 3.43Å; W238-K305 HydrophobicContact CE3-CB 4.05Å; W238-K305 HydrophobicContact CE3-CD 3.57Å; W238-K305 HydrophobicContact CE3-CG 4.45Å; W238-K305 HydrophobicContact CG-CB 4.28Å; W238-K305 HydrophobicContact CG-CD 4.42Å; W238-K305 HydrophobicContact CH2-CB 3.94Å; W238-K305 HydrophobicContact CZ2-CB 3.59Å; W238-K305 WeakPolarHBondContact CZ2-O 3.31Å; W238-K305 HydrophobicContact CZ3-CB 4.15Å; W238-K305 HydrophobicContact CZ3-CD 3.91Å; W238-G306 PolarHBondContact NE1-O 3.5Å; W238-W308 HydrophobicContact CD2-CB 4.38Å; W238-W308 AromaticContact CD2-CD1 3.87Å; W238-W308 AromaticContact CE2-CD1 3.98Å; W238-W308 HydrophobicContact CG-CB 4.21Å
239	D	92.6	Very high	93.4	Very high	25 Å²	25	87.3 Å²	87.3	13%	0.134	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-95.9	121	178.8	-155	-24	0	0	0	111.9	R241 N301 N303 Y304 K305	D239-R241 VanDerWaalsContact OD1-CB 3.28Å; D239-R241 WeakPolarHBondContact OD1-CB 3.17Å; D239-R241 WeakPolarHBondContact OD1-CG 3.44Å; D239-R241 IonicContact OD1-CZ 2.73Å; D239-R241 PolarHBondContact OD1-N 3.4Å; D239-R241 IonicContact OD1-NE 2.71Å; D239-R241 PolarHBondContact OD1-NE 3.21Å; D239-R241 IonicContact OD1-NH2 3.67Å; D239-R241 IonicContact OD2-CZ 2.55Å; D239-R241 IonicContact OD2-NE 3.28Å; D239-R241 PolarHBondContact OD2-NE 2.82Å; D239-R241 IonicContact OD2-NH2 3.57Å; D239-R241 PolarHBondContact OD2-NH2 2.57Å; D239-N301 PolarHBondContact OD1-ND2 3Å; D239-N301 PolarHBondContact OD2-ND2 2.76Å; D239-N303 HydrophobicContact CB-CB 4.37Å; D239-Y304 WeakPolarHBondContact O-CA 3.46Å; D239-K305 PolarHBondContact O-N 2.78Å
240	E	94.6	Very high	93.2	Very high	78 Å²	78	91.3 Å²	91.3	36%	0.364	48%	0.477	S	S	.	.			trans	-99.5	-0.1	178.3	-59	178.6	157.1	0	0	112.1	K234 L242 Y304 G306 W308	K234-E240 WeakPolarHBondContact CE-OE1 3.23Å; K234-E240 IonicContact NZ-OE1 2.72Å; K234-E240 PolarHBondContact NZ-OE1 2.8Å; K234-E240 VanDerWaalsContact NZ-OE1 3.08Å; K234-E240 IonicContact NZ-OE2 2.75Å; K234-E240 PolarHBondContact NZ-OE2 2.84Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-Y304 WeakPolarHBondContact O-CE2 3.25Å; E240-G306 WeakPolarHBondContact CG-O 3.28Å; E240-W308 VanDerWaalsContact OE1-CB 3.29Å; E240-W308 WeakPolarHBondContact OE1-CB 3.35Å; E240-W308 PolarHBondContact OE1-N 2.91Å
241	R	93.1	Very high	93	Very high	150 Å²	150	90 Å²	90	57%	0.566	46%	0.46	S	S	*	.			trans	-79.6	111.2	177.9	-61.3	171.1	-65.2	177.6	3.8	108.4	D239 M243 I244 N301	D239-R241 VanDerWaalsContact OD1-CB 3.28Å; D239-R241 WeakPolarHBondContact OD1-CB 3.17Å; D239-R241 WeakPolarHBondContact OD1-CG 3.44Å; D239-R241 IonicContact OD1-CZ 2.73Å; D239-R241 PolarHBondContact OD1-N 3.4Å; D239-R241 IonicContact OD1-NE 2.71Å; D239-R241 PolarHBondContact OD1-NE 3.21Å; D239-R241 IonicContact OD1-NH2 3.67Å; D239-R241 IonicContact OD2-CZ 2.55Å; D239-R241 IonicContact OD2-NE 3.28Å; D239-R241 PolarHBondContact OD2-NE 2.82Å; D239-R241 IonicContact OD2-NH2 3.57Å; D239-R241 PolarHBondContact OD2-NH2 2.57Å; R241-M243 VanDerWaalsContact C-N 3.28Å; R241-M243 PolarHBondContact O-N 2.74Å; R241-I244 HydrophobicContact CB-CG2 4.04Å; R241-N301 WeakPolarHBondContact O-CB 3.37Å; R241-N301 PolarHBondContact O-ND2 3.1Å
242	L	94.1	Very high	92.8	Very high	93 Å²	93	86.2 Å²	86.2	49%	0.487	44%	0.443	S	S	.	.	S	Bend	trans	-63.1	-38.6	175.5	-178.1	65.5	0	0	0	111.6	E240 N301 Y304	E240-L242 PolarHBondContact O-N 2.93Å; L242-N301 PolarHBondContact O-N 2.73Å; L242-Y304 HydrophobicContact CB-CD2 4.46Å; L242-Y304 HydrophobicContact CB-CE2 4.3Å; L242-Y304 HydrophobicContact CD1-CD1 3.67Å; L242-Y304 HydrophobicContact CD1-CE1 3.61Å; L242-Y304 HydrophobicContact CD1-CG 4.18Å
243	M	95.2	Very high	92.4	Very high	92 Å²	92	94.6 Å²	94.6	45%	0.453	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.5	-178.7	-54.4	-62	-82.8	0	0	109.6	R241 I299	R241-M243 VanDerWaalsContact C-N 3.28Å; R241-M243 PolarHBondContact O-N 2.74Å; M243-I299 WeakPolarHBondContact CA-O 3.3Å
244	I	93.4	Very high	91.9	Very high	25 Å²	25	89.8 Å²	89.8	13%	0.128	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.2	174.3	57.4	171.3	0	0	0	109.7	R241 D246 T298 I299 N301	R241-I244 HydrophobicContact CB-CG2 4.04Å; I244-D246 PolarHBondContact O-N 3.27Å; I244-T298 CarbonylContact O-C 3.52Å; I244-T298 VanDerWaalsContact O-CA 3.29Å; I244-T298 WeakPolarHBondContact O-CA 3.1Å; I244-I299 HydrophobicContact CG1-CG1 4.05Å; I244-I299 PolarHBondContact N-O 3.33Å; I244-I299 PolarHBondContact O-N 3.38Å; I244-N301 HydrophobicContact CB-CB 4.43Å; I244-N301 HydrophobicContact CD1-CB 4.13Å; I244-N301 HydrophobicContact CG1-CB 3.91Å; I244-N301 HydrophobicContact CG2-CB 3.89Å
245	P	94.4	Very high	91.7	Very high	77 Å²	77	88.7 Å²	88.7	50%	0.5	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	132.9	161.2	-30.8	39.7	0	0	0	111	P247 P296	P245-P247 WeakPolarHBondContact O-CD 3.29Å; P245-P247 VanDerWaalsContact O-N 3.12Å; P245-P296 HydrophobicContact CB-CB 4.45Å; P245-P296 HydrophobicContact CB-CG 3.74Å
246	D	93.5	Very high	91.3	Very high	37 Å²	37	92 Å²	92	20%	0.198	47%	0.469	C	S	.	.			trans	-62.5	111.3	174.4	-174	-10	0	0	0	109.5	I244 N248 A249 P297 I299	I244-D246 PolarHBondContact O-N 3.27Å; D246-N248 PolarHBondContact O-N 3.45Å; D246-N248 PolarHBondContact OD1-N 3.02Å; D246-A249 HydrophobicContact CB-CB 3.76Å; D246-A249 PolarHBondContact O-N 3.01Å; D246-P297 HydrophobicContact CB-CG 4.18Å; D246-P297 VanDerWaalsContact CB-O 3.31Å; D246-P297 WeakPolarHBondContact CB-O 3.39Å; D246-P297 PolarHBondContact N-O 3.24Å; D246-I299 HydrophobicContact CB-CD1 4.2Å; D246-I299 HydrophobicContact CB-CG1 4.15Å; D246-I299 HydrophobicContact CB-CG2 3.76Å
247	P	90.7	Very high	91	Very high	98 Å²	98	85.5 Å²	85.5	64%	0.636	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.9	-178.2	30.3	-35	0	0	0	112.4	P245	P245-P247 WeakPolarHBondContact O-CD 3.29Å; P245-P247 VanDerWaalsContact O-N 3.12Å
248	N	91.8	Very high	90.8	Very high	133 Å²	133	84.1 Å²	84.1	71%	0.711	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.5	179.6	-56.7	-55.6	0	0	0	112.6	D246 T250	D246-N248 PolarHBondContact O-N 3.45Å; D246-N248 PolarHBondContact OD1-N 3.02Å; N248-T250 PolarHBondContact O-N 2.97Å
249	A	90.9	Very high	90.6	Very high	26 Å²	26	86.6 Å²	86.6	22%	0.215	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-70.1	126.9	178.4	0	0	0	0	0	110.3	D246 W294 P296 P297	D246-A249 HydrophobicContact CB-CB 3.76Å; D246-A249 PolarHBondContact O-N 3.01Å; A249-W294 HydrophobicContact CB-CH2 4.28Å; A249-W294 HydrophobicContact CB-CZ2 4.17Å; A249-W294 WeakPolarHBondContact O-CH2 3.44Å; A249-P296 HydrophobicContact CB-CB 4.02Å; A249-P297 HydrophobicContact CB-CG 3.92Å
250	T	90.6	Very high	90.5	Very high	119 Å²	119	88.7 Å²	88.7	73%	0.73	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-102.8	140.3	172.5	52.4	0	0	0	0	109.7	N248 P252	N248-T250 PolarHBondContact O-N 2.97Å; T250-P252 WeakPolarHBondContact O-CD 3.46Å
251	K	91	Very high	90.3	Very high	74 Å²	74	88 Å²	88	32%	0.322	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.8	126.6	173.1	-176.1	173.5	-176.3	-178.3	0	110.1	W255 D256 W294	K251-W255 HydrophobicContact CG-CB 4.01Å; K251-W255 HydrophobicContact CG-CG 4.33Å; K251-D256 VanDerWaalsContact CE-CG 3.46Å; K251-D256 WeakPolarHBondContact CE-OD1 3.34Å; K251-D256 WeakPolarHBondContact CE-OD2 3.47Å; K251-D256 IonicContact NZ-OD1 3.75Å; K251-D256 PolarHBondContact NZ-OD1 2.89Å; K251-D256 IonicContact NZ-OD2 2.79Å; K251-D256 PolarHBondContact NZ-OD2 3.31Å; K251-W294 HydrophobicContact CB-CD2 3.67Å; K251-W294 HydrophobicContact CB-CE3 3.8Å; K251-W294 HydrophobicContact CB-CG 4.1Å; K251-W294 HydrophobicContact CB-CH2 4.37Å; K251-W294 HydrophobicContact CB-CZ2 4.28Å; K251-W294 HydrophobicContact CB-CZ3 4.15Å; K251-W294 HydrophobicContact CD-CB 3.8Å; K251-W294 HydrophobicContact CD-CD2 4.25Å; K251-W294 HydrophobicContact CD-CE3 4.35Å; K251-W294 HydrophobicContact CD-CG 4.05Å; K251-W294 HydrophobicContact CG-CB 3.91Å; K251-W294 HydrophobicContact CG-CD2 3.78Å; K251-W294 HydrophobicContact CG-CE3 4.21Å; K251-W294 HydrophobicContact CG-CG 3.64Å
252	P	88.7	Confident	90.2	Very high	52 Å²	52	84.4 Å²	84.4	34%	0.338	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-58.7	139.9	174.8	-25.8	35.6	0	0	0	111.7	T250 D254 W255	T250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-D254 WeakPolarHBondContact CB-OD1 3.26Å; P252-D254 PolarHBondContact O-N 3.26Å; P252-W255 HydrophobicContact CG-CE3 4.25Å; P252-W255 VanDerWaalsContact O-CB 3.24Å; P252-W255 WeakPolarHBondContact O-CB 3.38Å; P252-W255 PolarHBondContact O-N 2.62Å; P252-W255 VanDerWaalsContact O-N 3.08Å
253	E	86.3	Confident	90.1	Very high	203 Å²	203	81.8 Å²	81.8	95%	0.949	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	180	-65.4	-175.8	172.9	0	0	112.7	W255	E253-W255 VanDerWaalsContact C-N 3.3Å; E253-W255 PolarHBondContact O-N 2.76Å
254	D	84	Confident	89.7	Confident	82 Å²	82	86.8 Å²	86.8	44%	0.439	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	6.1	179.7	76.8	-40.8	0	0	0	113.9	P252 K257 K291	P252-D254 WeakPolarHBondContact CB-OD1 3.26Å; P252-D254 PolarHBondContact O-N 3.26Å; D254-K257 VanDerWaalsContact O-CE 3.31Å; D254-K257 WeakPolarHBondContact O-CE 3.35Å; D254-K291 IonicContact OD1-NZ 2.64Å; D254-K291 IonicContact OD2-NZ 2.77Å; D254-K291 PolarHBondContact OD2-NZ 2.98Å
255	W	87.8	Confident	89.5	Confident	60 Å²	60	92.5 Å²	92.5	23%	0.227	49%	0.493	C	S	.	.			trans	-83.8	-37.6	-175	-162.7	-75.1	0	0	0	113.9	K251 P252 E253 K257 K291 G292 W294	K251-W255 HydrophobicContact CG-CB 4.01Å; K251-W255 HydrophobicContact CG-CG 4.33Å; P252-W255 HydrophobicContact CG-CE3 4.25Å; P252-W255 VanDerWaalsContact O-CB 3.24Å; P252-W255 WeakPolarHBondContact O-CB 3.38Å; P252-W255 PolarHBondContact O-N 2.62Å; P252-W255 VanDerWaalsContact O-N 3.08Å; E253-W255 VanDerWaalsContact C-N 3.3Å; E253-W255 PolarHBondContact O-N 2.76Å; W255-K257 PolarHBondContact O-N 2.93Å; W255-K291 HydrophobicContact CD2-CB 3.91Å; W255-K291 HydrophobicContact CD2-CD 3.9Å; W255-K291 HydrophobicContact CE3-CB 4.27Å; W255-K291 HydrophobicContact CE3-CD 3.54Å; W255-K291 HydrophobicContact CG-CB 4.49Å; W255-K291 HydrophobicContact CH2-CB 3.96Å; W255-K291 HydrophobicContact CH2-CD 4.17Å; W255-K291 HydrophobicContact CZ2-CB 3.56Å; W255-K291 HydrophobicContact CZ2-CD 4.48Å; W255-K291 HydrophobicContact CZ3-CB 4.3Å; W255-K291 HydrophobicContact CZ3-CD 3.69Å; W255-G292 PolarHBondContact NE1-O 3.22Å; W255-W294 HydrophobicContact CD2-CB 4.18Å; W255-W294 AromaticContact CD2-CD1 3.61Å; W255-W294 HydrophobicContact CD2-CG 4.26Å; W255-W294 AromaticContact CE2-CD1 3.72Å; W255-W294 AromaticContact CE3-CD1 3.81Å; W255-W294 HydrophobicContact CG-CB 4.08Å; W255-W294 HydrophobicContact CG-CG 4.41Å; W255-W294 HydrophobicContact CZ2-CB 4.46Å
256	D	85.3	Confident	89.1	Confident	119 Å²	119	90.1 Å²	90.1	64%	0.636	48%	0.479	S	S	*	.			trans	-79	69.1	-177.5	-79.7	-45.2	0	0	0	112	K251	K251-D256 VanDerWaalsContact CE-CG 3.46Å; K251-D256 WeakPolarHBondContact CE-OD1 3.34Å; K251-D256 WeakPolarHBondContact CE-OD2 3.47Å; K251-D256 IonicContact NZ-OD1 3.75Å; K251-D256 PolarHBondContact NZ-OD1 2.89Å; K251-D256 IonicContact NZ-OD2 2.79Å; K251-D256 PolarHBondContact NZ-OD2 3.31Å
257	K	88.3	Confident	88.9	Confident	70 Å²	70	94.1 Å²	94.1	30%	0.304	51%	0.505	S	S	.	.			trans	-91.8	143.4	171.2	-57.6	-62.1	-173.1	165.1	0	109.4	D254 W255 E289 Y290	D254-K257 VanDerWaalsContact O-CE 3.31Å; D254-K257 WeakPolarHBondContact O-CE 3.35Å; W255-K257 PolarHBondContact O-N 2.93Å; K257-E289 HydrophobicContact CB-CB 4.33Å; K257-E289 HydrophobicContact CD-CB 4.5Å; K257-E289 VanDerWaalsContact CE-OE2 3.29Å; K257-E289 WeakPolarHBondContact CE-OE2 3.15Å; K257-E289 HydrophobicContact CG-CB 3.92Å; K257-E289 IonicContact NZ-OE2 2.78Å; K257-E289 PolarHBondContact NZ-OE2 3.05Å; K257-Y290 VanDerWaalsContact O-CD2 3.23Å; K257-Y290 WeakPolarHBondContact O-CD2 2.99Å
258	P	86.7	Confident	88.8	Confident	79 Å²	79	93.2 Å²	93.2	51%	0.513	49%	0.491	S	S	.	.			trans	-62.6	143.2	174	27.8	-34.2	0	0	0	109.6	T260 I261 N287	P258-T260 PolarHBondContact O-N 2.6Å; P258-I261 HydrophobicContact CG-CG2 4.17Å; P258-N287 WeakPolarHBondContact O-CB 3.35Å; P258-N287 PolarHBondContact O-ND2 3.39Å
259	E	89.3	Confident	88.6	Confident	126 Å²	126	89.4 Å²	89.4	59%	0.589	47%	0.474	S	S	*	.	S	Bend	trans	-61.5	-30.2	179.4	-178.7	170	-162.9	0	0	112.3	N287 Y290	E259-N287 WeakPolarHBondContact O-CB 3.4Å; E259-N287 PolarHBondContact O-N 2.89Å; E259-Y290 HydrophobicContact CB-CD1 4.03Å; E259-Y290 HydrophobicContact CB-CD2 4.4Å; E259-Y290 HydrophobicContact CB-CE1 3.94Å; E259-Y290 HydrophobicContact CB-CE2 4.34Å; E259-Y290 HydrophobicContact CB-CG 4.25Å; E259-Y290 HydrophobicContact CG-CD1 3.81Å; E259-Y290 HydrophobicContact CG-CE1 3.69Å; E259-Y290 HydrophobicContact CG-CG 4.47Å
260	T	90.9	Very high	88.5	Confident	70 Å²	70	98.1 Å²	98.1	43%	0.429	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.2	178.5	59.5	0	0	0	0	111.6	P258 I285	P258-T260 PolarHBondContact O-N 2.6Å; T260-I285 CarbonylContact C-O 3.54Å; T260-I285 VanDerWaalsContact CA-O 3.25Å; T260-I285 WeakPolarHBondContact CA-O 3.29Å
261	I	90.9	Very high	88.3	Confident	63 Å²	63	99.2 Å²	99.2	32%	0.323	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.8	174.2	54.8	174.8	0	0	0	110.1	P258 D263 T284 I285 N287	P258-I261 HydrophobicContact CG-CG2 4.17Å; I261-D263 PolarHBondContact O-N 2.8Å; I261-T284 CarbonylContact O-C 3.5Å; I261-T284 VanDerWaalsContact O-CA 3.29Å; I261-T284 WeakPolarHBondContact O-CA 3Å; I261-I285 HydrophobicContact CG1-CD1 4.47Å; I261-I285 HydrophobicContact CG1-CG1 3.93Å; I261-I285 PolarHBondContact N-O 2.84Å; I261-I285 PolarHBondContact O-N 2.71Å; I261-N287 HydrophobicContact CG1-CB 4.23Å; I261-N287 HydrophobicContact CG2-CB 3.86Å
262	V	91.1	Very high	88.3	Confident	75 Å²	75	99.9 Å²	99.9	46%	0.455	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.5	173.6	172.1	0	0	0	0	110.4	K264 P282 T284	V262-K264 PolarHBondContact O-N 2.79Å; V262-K264 VanDerWaalsContact O-N 3.1Å; V262-P282 HydrophobicContact CG1-CB 3.68Å; V262-P282 HydrophobicContact CG1-CG 3.24Å; V262-T284 HydrophobicContact CG2-CG2 4.43Å
263	D	91	Very high	88.2	Confident	38 Å²	38	100.8 Å²	100.8	20%	0.203	51%	0.514	C	S	.	.			trans	-72.7	100.9	174.7	-171.7	-4.1	0	0	0	110.9	I261 N265 A266 P283 I285	I261-D263 PolarHBondContact O-N 2.8Å; D263-N265 PolarHBondContact O-N 3.41Å; D263-N265 WeakPolarHBondContact OD1-CB 3.35Å; D263-N265 PolarHBondContact OD1-N 3.24Å; D263-A266 HydrophobicContact CB-CB 4.13Å; D263-A266 WeakPolarHBondContact O-CB 3.35Å; D263-A266 PolarHBondContact O-N 3.2Å; D263-P283 HydrophobicContact CB-CG 4.46Å; D263-P283 WeakPolarHBondContact CB-O 3.31Å; D263-P283 PolarHBondContact N-O 2.63Å; D263-I285 HydrophobicContact CB-CD1 4.07Å; D263-I285 HydrophobicContact CB-CG1 4.1Å; D263-I285 HydrophobicContact CB-CG2 3.85Å
264	K	88.1	Confident	88.4	Confident	196 Å²	196	94.9 Å²	94.9	85%	0.852	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.3	179	-65.1	-177.8	-179.7	176.2	0	113.8	V262	V262-K264 PolarHBondContact O-N 2.79Å; V262-K264 VanDerWaalsContact O-N 3.1Å
265	N	87.5	Confident	88.6	Confident	146 Å²	146	98.6 Å²	98.6	78%	0.781	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.3	177.6	-60.4	-45.4	0	0	0	112.1	D263 T267	D263-N265 PolarHBondContact O-N 3.41Å; D263-N265 WeakPolarHBondContact OD1-CB 3.35Å; D263-N265 PolarHBondContact OD1-N 3.24Å; N265-T267 PolarHBondContact O-N 3.04Å
266	A	87.3	Confident	88.7	Confident	26 Å²	26	103.2 Å²	103.2	22%	0.215	54%	0.535	C	S	.	.			trans	-66.1	128.4	172	0	0	0	0	0	109.1	D263 W280 P282 P283	D263-A266 HydrophobicContact CB-CB 4.13Å; D263-A266 WeakPolarHBondContact O-CB 3.35Å; D263-A266 PolarHBondContact O-N 3.2Å; A266-W280 HydrophobicContact CB-CH2 4.16Å; A266-W280 HydrophobicContact CB-CZ2 4.16Å; A266-W280 WeakPolarHBondContact O-CH2 3.27Å; A266-P282 HydrophobicContact CB-CB 4.26Å; A266-P283 HydrophobicContact CB-CG 3.99Å
267	T	88.5	Confident	88.7	Confident	121 Å²	121	102 Å²	102	74%	0.742	53%	0.528	S	S	*	.			trans	-104.8	140.5	171.5	51.1	0	0	0	0	108.8	N265	N265-T267 PolarHBondContact O-N 3.04Å
268	K	88.4	Confident	88.8	Confident	79 Å²	79	100 Å²	100	34%	0.343	53%	0.529	S	S	.	.			trans	-52.2	125.8	172.3	-177.8	174.5	172.4	175.9	0	109.8	W272 D274 W280	K268-W272 HydrophobicContact CD-CB 4.4Å; K268-W272 HydrophobicContact CD-CG 4.48Å; K268-W272 HydrophobicContact CG-CB 3.92Å; K268-W272 HydrophobicContact CG-CG 4.2Å; K268-D274 IonicContact NZ-OD1 2.73Å; K268-D274 PolarHBondContact NZ-OD1 2.78Å; K268-D274 IonicContact NZ-OD2 3.73Å; K268-D274 PolarHBondContact NZ-OD2 2.89Å; K268-W280 HydrophobicContact CB-CD2 3.71Å; K268-W280 HydrophobicContact CB-CE3 3.84Å; K268-W280 HydrophobicContact CB-CG 4.08Å; K268-W280 HydrophobicContact CB-CZ2 4.45Å; K268-W280 HydrophobicContact CB-CZ3 4.26Å; K268-W280 HydrophobicContact CD-CB 3.85Å; K268-W280 HydrophobicContact CD-CD2 4.5Å; K268-W280 HydrophobicContact CD-CG 4.14Å; K268-W280 HydrophobicContact CG-CB 4Å; K268-W280 HydrophobicContact CG-CD2 3.94Å; K268-W280 HydrophobicContact CG-CE3 4.41Å; K268-W280 HydrophobicContact CG-CG 3.74Å
269	P	87.7	Confident	88.9	Confident	54 Å²	54	104.7 Å²	104.7	35%	0.351	54%	0.544	S	S	.	.			trans	-57.2	142.8	176.5	-24.9	34.4	0	0	0	111.5	D271 W272	P269-D271 WeakPolarHBondContact CB-OD1 3.47Å; P269-D271 PolarHBondContact O-N 3.26Å; P269-W272 HydrophobicContact CB-CB 4.42Å; P269-W272 HydrophobicContact CG-CE3 4.33Å; P269-W272 WeakPolarHBondContact O-CB 3.27Å; P269-W272 PolarHBondContact O-N 3.39Å; P269-W272 VanDerWaalsContact O-N 3.13Å
270	E	88.7	Confident	88.9	Confident	209 Å²	209	101.8 Å²	101.8	98%	0.977	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.5	-178.7	-68.3	-173.8	172.2	0	0	112.9
271	D	87.4	Confident	88.8	Confident	142 Å²	142	106.3 Å²	106.3	76%	0.759	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.6	-179.9	58.8	-35.4	0	0	0	114.2	P269	P269-D271 WeakPolarHBondContact CB-OD1 3.47Å; P269-D271 PolarHBondContact O-N 3.26Å
272	W	91	Very high	88.7	Confident	87 Å²	87	105.3 Å²	105.3	33%	0.33	54%	0.541	S	S	.	.			trans	-77.1	124.1	179.4	-169.4	-72.5	0	0	0	112.5	K268 P269 D277 G278 W280	K268-W272 HydrophobicContact CD-CB 4.4Å; K268-W272 HydrophobicContact CD-CG 4.48Å; K268-W272 HydrophobicContact CG-CB 3.92Å; K268-W272 HydrophobicContact CG-CG 4.2Å; P269-W272 HydrophobicContact CB-CB 4.42Å; P269-W272 HydrophobicContact CG-CE3 4.33Å; P269-W272 WeakPolarHBondContact O-CB 3.27Å; P269-W272 PolarHBondContact O-N 3.39Å; P269-W272 VanDerWaalsContact O-N 3.13Å; W272-D277 HydrophobicContact CD2-CB 4.19Å; W272-D277 HydrophobicContact CH2-CB 4.44Å; W272-D277 HydrophobicContact CZ2-CB 3.8Å; W272-G278 PolarHBondContact NE1-O 2.77Å; W272-W280 HydrophobicContact CD2-CB 4.21Å; W272-W280 AromaticContact CD2-CD1 3.5Å; W272-W280 VanDerWaalsContact CD2-CD1 3.5Å; W272-W280 HydrophobicContact CD2-CG 4.2Å; W272-W280 AromaticContact CE2-CD1 3.62Å; W272-W280 AromaticContact CE3-CD1 3.62Å; W272-W280 HydrophobicContact CG-CB 4.26Å; W272-W280 HydrophobicContact CG-CG 4.47Å; W272-W280 AromaticContact CH2-CD1 3.94Å; W272-W280 HydrophobicContact CZ2-CB 4.29Å; W272-W280 AromaticContact CZ2-CD1 3.84Å; W272-W280 HydrophobicContact CZ2-CG 4.48Å; W272-W280 AromaticContact CZ3-CD1 3.84Å
273	D	87.1	Confident	88.7	Confident	72 Å²	72	105.2 Å²	105.2	39%	0.385	54%	0.542	S	S	.	.			trans	-107.8	111.5	-179.7	-176.3	-7.3	0	0	0	110.6	D275 M276 D277	D273-D275 PolarHBondContact O-N 2.83Å; D273-D275 PolarHBondContact OD1-N 3.21Å; D273-M276 HydrophobicContact CB-CB 4.17Å; D273-M276 PolarHBondContact O-N 2.89Å; D273-M276 WeakPolarHBondContact OD2-CG 3.33Å; D273-D277 PolarHBondContact N-OD2 3.44Å; D273-D277 VanDerWaalsContact N-OD2 3.12Å; D273-D277 WeakPolarHBondContact O-CA 3.33Å; D273-D277 VanDerWaalsContact O-CB 3.31Å; D273-D277 WeakPolarHBondContact O-CB 3.34Å; D273-D277 PolarHBondContact O-N 3.32Å
274	D	90.5	Very high	88.8	Confident	79 Å²	79	107.6 Å²	107.6	42%	0.422	56%	0.558	S	S	.	*	H	α-helix	trans	-64.7	-25.5	-177.6	-65.3	-37.7	0	0	0	113	K268 G278	K268-D274 IonicContact NZ-OD1 2.73Å; K268-D274 PolarHBondContact NZ-OD1 2.78Å; K268-D274 IonicContact NZ-OD2 3.73Å; K268-D274 PolarHBondContact NZ-OD2 2.89Å; D274-G278 CarbonylContact O-C 3.59Å; D274-G278 VanDerWaalsContact O-CA 3.32Å; D274-G278 WeakPolarHBondContact O-CA 3.29Å; D274-G278 PolarHBondContact O-N 3.12Å
275	D	86.7	Confident	89	Confident	160 Å²	160	101.2 Å²	101.2	86%	0.856	53%	0.533	S	S	*	.	H	α-helix	trans	-77.3	-26.8	179.4	-78.2	-20	0	0	0	111.9	D273	D273-D275 PolarHBondContact O-N 2.83Å; D273-D275 PolarHBondContact OD1-N 3.21Å
276	M	89.6	Confident	89.2	Confident	157 Å²	157	99.5 Å²	99.5	77%	0.773	53%	0.529	S	S	*	.	H	α-helix	trans	-102.5	-41.5	-179.2	-69	-69.6	-161.2	0	0	113.3	D273	D273-M276 HydrophobicContact CB-CB 4.17Å; D273-M276 PolarHBondContact O-N 2.89Å; D273-M276 WeakPolarHBondContact OD2-CG 3.33Å
277	D	87.1	Confident	89.4	Confident	92 Å²	92	99 Å²	99	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-98.5	-11.6	-172.9	-57.3	-48.4	0	0	0	113	W272 D273	W272-D277 HydrophobicContact CD2-CB 4.19Å; W272-D277 HydrophobicContact CH2-CB 4.44Å; W272-D277 HydrophobicContact CZ2-CB 3.8Å; D273-D277 PolarHBondContact N-OD2 3.44Å; D273-D277 VanDerWaalsContact N-OD2 3.12Å; D273-D277 WeakPolarHBondContact O-CA 3.33Å; D273-D277 VanDerWaalsContact O-CB 3.31Å; D273-D277 WeakPolarHBondContact O-CB 3.34Å; D273-D277 PolarHBondContact O-N 3.32Å
278	G	89.2	Confident	89.5	Confident	30 Å²	30	98.9 Å²	98.9	31%	0.309	52%	0.524	S	S	.	.			trans	84.9	174.4	-174.5	0	0	0	0	0	113.2	W272 D274 W280	W272-G278 PolarHBondContact NE1-O 2.77Å; D274-G278 CarbonylContact O-C 3.59Å; D274-G278 VanDerWaalsContact O-CA 3.32Å; D274-G278 WeakPolarHBondContact O-CA 3.29Å; D274-G278 PolarHBondContact O-N 3.12Å; G278-W280 PolarHBondContact O-N 2.79Å; G278-W280 VanDerWaalsContact O-N 3.14Å
279	E	88.4	Confident	89.5	Confident	177 Å²	177	100.4 Å²	100.4	83%	0.827	53%	0.533	S	S	*	.	S	Bend	trans	-57.4	120.8	176.4	-70.5	-168.7	170.6	0	0	109.9	E281	E279-E281 PolarHBondContact O-N 3.09Å
280	W	90.2	Very high	89.6	Confident	65 Å²	65	102.2 Å²	102.2	25%	0.246	53%	0.533	C	S	.	.			trans	-61.5	123.9	-178.6	179.4	75.3	0	0	0	111.9	A266 K268 W272 G278 P282	A266-W280 HydrophobicContact CB-CH2 4.16Å; A266-W280 HydrophobicContact CB-CZ2 4.16Å; A266-W280 WeakPolarHBondContact O-CH2 3.27Å; K268-W280 HydrophobicContact CB-CD2 3.71Å; K268-W280 HydrophobicContact CB-CE3 3.84Å; K268-W280 HydrophobicContact CB-CG 4.08Å; K268-W280 HydrophobicContact CB-CZ2 4.45Å; K268-W280 HydrophobicContact CB-CZ3 4.26Å; K268-W280 HydrophobicContact CD-CB 3.85Å; K268-W280 HydrophobicContact CD-CD2 4.5Å; K268-W280 HydrophobicContact CD-CG 4.14Å; K268-W280 HydrophobicContact CG-CB 4Å; K268-W280 HydrophobicContact CG-CD2 3.94Å; K268-W280 HydrophobicContact CG-CE3 4.41Å; K268-W280 HydrophobicContact CG-CG 3.74Å; W272-W280 HydrophobicContact CD2-CB 4.21Å; W272-W280 AromaticContact CD2-CD1 3.5Å; W272-W280 VanDerWaalsContact CD2-CD1 3.5Å; W272-W280 HydrophobicContact CD2-CG 4.2Å; W272-W280 AromaticContact CE2-CD1 3.62Å; W272-W280 AromaticContact CE3-CD1 3.62Å; W272-W280 HydrophobicContact CG-CB 4.26Å; W272-W280 HydrophobicContact CG-CG 4.47Å; W272-W280 AromaticContact CH2-CD1 3.94Å; W272-W280 HydrophobicContact CZ2-CB 4.29Å; W272-W280 AromaticContact CZ2-CD1 3.84Å; W272-W280 HydrophobicContact CZ2-CG 4.48Å; W272-W280 AromaticContact CZ3-CD1 3.84Å; G278-W280 PolarHBondContact O-N 2.79Å; G278-W280 VanDerWaalsContact O-N 3.14Å; W280-P282 HydrophobicContact CH2-CB 3.62Å; W280-P282 HydrophobicContact CH2-CG 4.35Å; W280-P282 HydrophobicContact CZ2-CB 4.08Å; W280-P282 HydrophobicContact CZ3-CB 4.07Å; W280-P282 HydrophobicContact CZ3-CG 4.31Å
281	E	87.7	Confident	89.5	Confident	164 Å²	164	96.9 Å²	96.9	77%	0.766	51%	0.507	S	S	*	.			trans	-108.4	127.7	170.1	-67.2	-172	170.6	0	0	110.5	E279	E279-E281 PolarHBondContact O-N 3.09Å
282	P	89.1	Confident	89.5	Confident	42 Å²	42	91.2 Å²	91.2	27%	0.273	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-59.6	143.1	174.8	21.9	-33.4	0	0	0	112.3	V262 A266 W280	V262-P282 HydrophobicContact CG1-CB 3.68Å; V262-P282 HydrophobicContact CG1-CG 3.24Å; A266-P282 HydrophobicContact CB-CB 4.26Å; W280-P282 HydrophobicContact CH2-CB 3.62Å; W280-P282 HydrophobicContact CH2-CG 4.35Å; W280-P282 HydrophobicContact CZ2-CB 4.08Å; W280-P282 HydrophobicContact CZ3-CB 4.07Å; W280-P282 HydrophobicContact CZ3-CG 4.31Å
283	P	90.9	Very high	89.4	Confident	73 Å²	73	95 Å²	95	47%	0.474	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.9	152.2	178.4	27.6	-34.9	0	0	0	111.7	D263 A266	D263-P283 HydrophobicContact CB-CG 4.46Å; D263-P283 WeakPolarHBondContact CB-O 3.31Å; D263-P283 PolarHBondContact N-O 2.63Å; A266-P283 HydrophobicContact CB-CG 3.99Å
284	T	93.1	Very high	89.5	Confident	89 Å²	89	94.7 Å²	94.7	55%	0.546	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.9	172.3	55.9	0	0	0	0	110.5	I261 V262	I261-T284 CarbonylContact O-C 3.5Å; I261-T284 VanDerWaalsContact O-CA 3.29Å; I261-T284 WeakPolarHBondContact O-CA 3Å; V262-T284 HydrophobicContact CG2-CG2 4.43Å
285	I	92.2	Very high	89.5	Confident	62 Å²	62	98.7 Å²	98.7	32%	0.318	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.6	177.2	56.1	170.4	0	0	0	110.3	T260 I261 D263 N287	T260-I285 CarbonylContact C-O 3.54Å; T260-I285 VanDerWaalsContact CA-O 3.25Å; T260-I285 WeakPolarHBondContact CA-O 3.29Å; I261-I285 HydrophobicContact CG1-CD1 4.47Å; I261-I285 HydrophobicContact CG1-CG1 3.93Å; I261-I285 PolarHBondContact N-O 2.84Å; I261-I285 PolarHBondContact O-N 2.71Å; D263-I285 HydrophobicContact CB-CD1 4.07Å; D263-I285 HydrophobicContact CB-CG1 4.1Å; D263-I285 HydrophobicContact CB-CG2 3.85Å; I285-N287 PolarHBondContact O-N 3.44Å
286	P	93.4	Very high	89.7	Confident	109 Å²	109	93 Å²	93	71%	0.708	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	130.8	173.8	-24.8	34.4	0	0	0	111	P288	P286-P288 VanDerWaalsContact O-CD 3.24Å; P286-P288 WeakPolarHBondContact O-CD 3.15Å
287	N	91.5	Very high	89.8	Confident	16 Å²	16	89.1 Å²	89.1	9%	0.086	47%	0.469	C	S	.	.			trans	-77.7	115.9	179.4	-175.6	-1.3	0	0	0	110.3	P258 E259 I261 I285 E289 Y290	P258-N287 WeakPolarHBondContact O-CB 3.35Å; P258-N287 PolarHBondContact O-ND2 3.39Å; E259-N287 WeakPolarHBondContact O-CB 3.4Å; E259-N287 PolarHBondContact O-N 2.89Å; I261-N287 HydrophobicContact CG1-CB 4.23Å; I261-N287 HydrophobicContact CG2-CB 3.86Å; I285-N287 PolarHBondContact O-N 3.44Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 VanDerWaalsContact O-N 3.1Å; N287-E289 WeakPolarHBondContact OD1-CB 3.47Å; N287-E289 PolarHBondContact OD1-N 3Å; N287-Y290 WeakPolarHBondContact O-CB 3.48Å; N287-Y290 PolarHBondContact O-N 3.38Å
288	P	88.9	Confident	90.2	Very high	119 Å²	119	89.2 Å²	89.2	77%	0.773	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.8	177.3	-21.7	34.8	0	0	0	113.8	P286	P286-P288 VanDerWaalsContact O-CD 3.24Å; P286-P288 WeakPolarHBondContact O-CD 3.15Å
289	E	88.6	Confident	90.5	Very high	111 Å²	111	90.4 Å²	90.4	52%	0.519	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.1	176.7	-55.9	-168.2	158.4	0	0	113.9	K257 N287 K291	K257-E289 HydrophobicContact CB-CB 4.33Å; K257-E289 HydrophobicContact CD-CB 4.5Å; K257-E289 VanDerWaalsContact CE-OE2 3.29Å; K257-E289 WeakPolarHBondContact CE-OE2 3.15Å; K257-E289 HydrophobicContact CG-CB 3.92Å; K257-E289 IonicContact NZ-OE2 2.78Å; K257-E289 PolarHBondContact NZ-OE2 3.05Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 VanDerWaalsContact O-N 3.1Å; N287-E289 WeakPolarHBondContact OD1-CB 3.47Å; N287-E289 PolarHBondContact OD1-N 3Å; E289-K291 PolarHBondContact O-N 3.38Å
290	Y	90.4	Very high	90.8	Very high	92 Å²	92	86.6 Å²	86.6	36%	0.361	46%	0.46	S	S	.	.			trans	-72.4	115	179.4	179.8	-123.3	0	0	0	111.4	K257 E259 N287	K257-Y290 VanDerWaalsContact O-CD2 3.23Å; K257-Y290 WeakPolarHBondContact O-CD2 2.99Å; E259-Y290 HydrophobicContact CB-CD1 4.03Å; E259-Y290 HydrophobicContact CB-CD2 4.4Å; E259-Y290 HydrophobicContact CB-CE1 3.94Å; E259-Y290 HydrophobicContact CB-CE2 4.34Å; E259-Y290 HydrophobicContact CB-CG 4.25Å; E259-Y290 HydrophobicContact CG-CD1 3.81Å; E259-Y290 HydrophobicContact CG-CE1 3.69Å; E259-Y290 HydrophobicContact CG-CG 4.47Å; N287-Y290 WeakPolarHBondContact O-CB 3.48Å; N287-Y290 PolarHBondContact O-N 3.38Å
291	K	86.3	Confident	91	Very high	97 Å²	97	83.7 Å²	83.7	42%	0.422	45%	0.45	S	S	.	.			trans	-96.6	3.4	-177.1	-61.4	175.2	-170	166.7	0	113.8	D254 W255 E289	D254-K291 IonicContact OD1-NZ 2.64Å; D254-K291 IonicContact OD2-NZ 2.77Å; D254-K291 PolarHBondContact OD2-NZ 2.98Å; W255-K291 HydrophobicContact CD2-CB 3.91Å; W255-K291 HydrophobicContact CD2-CD 3.9Å; W255-K291 HydrophobicContact CE3-CB 4.27Å; W255-K291 HydrophobicContact CE3-CD 3.54Å; W255-K291 HydrophobicContact CG-CB 4.49Å; W255-K291 HydrophobicContact CH2-CB 3.96Å; W255-K291 HydrophobicContact CH2-CD 4.17Å; W255-K291 HydrophobicContact CZ2-CB 3.56Å; W255-K291 HydrophobicContact CZ2-CD 4.48Å; W255-K291 HydrophobicContact CZ3-CB 4.3Å; W255-K291 HydrophobicContact CZ3-CD 3.69Å; E289-K291 PolarHBondContact O-N 3.38Å
292	G	88.7	Confident	91.3	Very high	23 Å²	23	81 Å²	81	24%	0.237	45%	0.446	C	S	.	.			trans	77.3	-168.6	-177.8	0	0	0	0	0	114.2	W255 W294	W255-G292 PolarHBondContact NE1-O 3.22Å; G292-W294 PolarHBondContact O-N 2.69Å
293	E	87.6	Confident	91.5	Very high	167 Å²	167	83.8 Å²	83.8	78%	0.78	46%	0.459	S	S	*	.	S	Bend	trans	-65.7	121.3	176.1	-67.6	-173.4	165.2	0	0	111	K295	E293-K295 PolarHBondContact O-N 2.83Å
294	W	90	Very high	91.6	Very high	65 Å²	65	85.2 Å²	85.2	25%	0.246	46%	0.456	C	S	.	.			trans	-67.3	132.4	177.9	-177.9	78.3	0	0	0	111.1	A249 K251 W255 G292 P296	A249-W294 HydrophobicContact CB-CH2 4.28Å; A249-W294 HydrophobicContact CB-CZ2 4.17Å; A249-W294 WeakPolarHBondContact O-CH2 3.44Å; K251-W294 HydrophobicContact CB-CD2 3.67Å; K251-W294 HydrophobicContact CB-CE3 3.8Å; K251-W294 HydrophobicContact CB-CG 4.1Å; K251-W294 HydrophobicContact CB-CH2 4.37Å; K251-W294 HydrophobicContact CB-CZ2 4.28Å; K251-W294 HydrophobicContact CB-CZ3 4.15Å; K251-W294 HydrophobicContact CD-CB 3.8Å; K251-W294 HydrophobicContact CD-CD2 4.25Å; K251-W294 HydrophobicContact CD-CE3 4.35Å; K251-W294 HydrophobicContact CD-CG 4.05Å; K251-W294 HydrophobicContact CG-CB 3.91Å; K251-W294 HydrophobicContact CG-CD2 3.78Å; K251-W294 HydrophobicContact CG-CE3 4.21Å; K251-W294 HydrophobicContact CG-CG 3.64Å; W255-W294 HydrophobicContact CD2-CB 4.18Å; W255-W294 AromaticContact CD2-CD1 3.61Å; W255-W294 HydrophobicContact CD2-CG 4.26Å; W255-W294 AromaticContact CE2-CD1 3.72Å; W255-W294 AromaticContact CE3-CD1 3.81Å; W255-W294 HydrophobicContact CG-CB 4.08Å; W255-W294 HydrophobicContact CG-CG 4.41Å; W255-W294 HydrophobicContact CZ2-CB 4.46Å; G292-W294 PolarHBondContact O-N 2.69Å; W294-P296 HydrophobicContact CH2-CB 3.73Å; W294-P296 HydrophobicContact CH2-CG 4.44Å; W294-P296 HydrophobicContact CZ2-CB 4.12Å; W294-P296 HydrophobicContact CZ3-CB 4.27Å
295	K	89.6	Confident	91.6	Very high	162 Å²	162	85 Å²	85	70%	0.704	45%	0.447	S	S	*	.			trans	-122.4	134.7	167.9	-65.7	-179.2	-177.4	176.7	0	108.5	E293	E293-K295 PolarHBondContact O-N 2.83Å
296	P	90.9	Very high	91.7	Very high	42 Å²	42	82.9 Å²	82.9	27%	0.273	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-57.4	144.1	175.4	25.7	-36.6	0	0	0	110.6	P245 A249 W294	P245-P296 HydrophobicContact CB-CB 4.45Å; P245-P296 HydrophobicContact CB-CG 3.74Å; A249-P296 HydrophobicContact CB-CB 4.02Å; W294-P296 HydrophobicContact CH2-CB 3.73Å; W294-P296 HydrophobicContact CH2-CG 4.44Å; W294-P296 HydrophobicContact CZ2-CB 4.12Å; W294-P296 HydrophobicContact CZ3-CB 4.27Å
297	P	92.1	Very high	91.6	Very high	75 Å²	75	84.6 Å²	84.6	49%	0.487	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.5	149	171.9	27.4	-34.6	0	0	0	110.1	D246 A249	D246-P297 HydrophobicContact CB-CG 4.18Å; D246-P297 VanDerWaalsContact CB-O 3.31Å; D246-P297 WeakPolarHBondContact CB-O 3.39Å; D246-P297 PolarHBondContact N-O 3.24Å; A249-P297 HydrophobicContact CB-CG 3.92Å
298	T	95	Very high	91.7	Very high	93 Å²	93	86.6 Å²	86.6	57%	0.571	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.1	175.5	54.5	0	0	0	0	110.4	I244	I244-T298 CarbonylContact O-C 3.52Å; I244-T298 VanDerWaalsContact O-CA 3.29Å; I244-T298 WeakPolarHBondContact O-CA 3.1Å
299	I	95	Very high	91.9	Very high	56 Å²	56	88.8 Å²	88.8	29%	0.287	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	160.1	172.5	59.8	170.4	0	0	0	110.4	M243 I244 D246 N301	M243-I299 WeakPolarHBondContact CA-O 3.3Å; I244-I299 HydrophobicContact CG1-CG1 4.05Å; I244-I299 PolarHBondContact N-O 3.33Å; I244-I299 PolarHBondContact O-N 3.38Å; D246-I299 HydrophobicContact CB-CD1 4.2Å; D246-I299 HydrophobicContact CB-CG1 4.15Å; D246-I299 HydrophobicContact CB-CG2 3.76Å; I299-N301 PolarHBondContact O-N 3.02Å
300	T	95.7	Very high	92.1	Very high	96 Å²	96	85.5 Å²	85.5	59%	0.589	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	128.4	167.6	-55.1	0	0	0	0	109.2	P302	T300-P302 VanDerWaalsContact O-CD 3.28Å; T300-P302 WeakPolarHBondContact O-CD 3.1Å
301	N	94.8	Very high	92.3	Very high	5 Å²	5	84.5 Å²	84.5	3%	0.027	44%	0.436	C	S	.	.			trans	-70.9	115.5	-178.5	-177.7	1.6	0	0	0	110.6	D239 R241 L242 I244 I299 N303 Y304	D239-N301 PolarHBondContact OD1-ND2 3Å; D239-N301 PolarHBondContact OD2-ND2 2.76Å; R241-N301 WeakPolarHBondContact O-CB 3.37Å; R241-N301 PolarHBondContact O-ND2 3.1Å; L242-N301 PolarHBondContact O-N 2.73Å; I244-N301 HydrophobicContact CB-CB 4.43Å; I244-N301 HydrophobicContact CD1-CB 4.13Å; I244-N301 HydrophobicContact CG1-CB 3.91Å; I244-N301 HydrophobicContact CG2-CB 3.89Å; I299-N301 PolarHBondContact O-N 3.02Å; N301-N303 PolarHBondContact O-N 2.72Å; N301-N303 VanDerWaalsContact O-N 3.15Å; N301-N303 WeakPolarHBondContact OD1-CB 3.26Å; N301-N303 PolarHBondContact OD1-N 3.34Å; N301-Y304 WeakPolarHBondContact O-CB 3.35Å; N301-Y304 PolarHBondContact O-N 2.98Å; N301-Y304 VanDerWaalsContact O-N 3.1Å
302	P	93.1	Very high	92.8	Very high	106 Å²	106	87 Å²	87	69%	0.688	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.3	178.8	27.4	-34.7	0	0	0	113	T300	T300-P302 VanDerWaalsContact O-CD 3.28Å; T300-P302 WeakPolarHBondContact O-CD 3.1Å
303	N	92.9	Very high	93.1	Very high	102 Å²	102	89 Å²	89	55%	0.545	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.4	178	-61.5	-42.6	0	0	0	113.4	D239 N301 K305	D239-N303 HydrophobicContact CB-CB 4.37Å; N301-N303 PolarHBondContact O-N 2.72Å; N301-N303 VanDerWaalsContact O-N 3.15Å; N301-N303 WeakPolarHBondContact OD1-CB 3.26Å; N301-N303 PolarHBondContact OD1-N 3.34Å; N303-K305 PolarHBondContact O-N 3.27Å
304	Y	94.5	Very high	93.6	Very high	102 Å²	102	87.5 Å²	87.5	40%	0.4	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-62.8	120.1	178	177.3	-116.4	0	0	0	110.8	D239 E240 L242 N301 G306	D239-Y304 WeakPolarHBondContact O-CA 3.46Å; E240-Y304 WeakPolarHBondContact O-CE2 3.25Å; L242-Y304 HydrophobicContact CB-CD2 4.46Å; L242-Y304 HydrophobicContact CB-CE2 4.3Å; L242-Y304 HydrophobicContact CD1-CD1 3.67Å; L242-Y304 HydrophobicContact CD1-CE1 3.61Å; L242-Y304 HydrophobicContact CD1-CG 4.18Å; N301-Y304 WeakPolarHBondContact O-CB 3.35Å; N301-Y304 PolarHBondContact O-N 2.98Å; N301-Y304 VanDerWaalsContact O-N 3.1Å; Y304-G306 VanDerWaalsContact CZ-CA 3.47Å
305	K	92.6	Very high	93.9	Very high	85 Å²	85	85 Å²	85	37%	0.37	44%	0.44	S	S	.	.			trans	-109.7	8.4	-179.9	-67.6	179.6	-171.9	162.9	0	113.4	D237 W238 D239 N303	D237-K305 VanDerWaalsContact CG-NZ 3.34Å; D237-K305 PolarHBondContact O-NZ 3.27Å; D237-K305 IonicContact OD1-NZ 3.35Å; D237-K305 IonicContact OD2-NZ 3.45Å; D237-K305 PolarHBondContact OD2-NZ 3.49Å; W238-K305 HydrophobicContact CD2-CB 3.71Å; W238-K305 HydrophobicContact CD2-CD 3.88Å; W238-K305 HydrophobicContact CD2-CG 4.45Å; W238-K305 VanDerWaalsContact CE2-CB 3.43Å; W238-K305 HydrophobicContact CE3-CB 4.05Å; W238-K305 HydrophobicContact CE3-CD 3.57Å; W238-K305 HydrophobicContact CE3-CG 4.45Å; W238-K305 HydrophobicContact CG-CB 4.28Å; W238-K305 HydrophobicContact CG-CD 4.42Å; W238-K305 HydrophobicContact CH2-CB 3.94Å; W238-K305 HydrophobicContact CZ2-CB 3.59Å; W238-K305 WeakPolarHBondContact CZ2-O 3.31Å; W238-K305 HydrophobicContact CZ3-CB 4.15Å; W238-K305 HydrophobicContact CZ3-CD 3.91Å; D239-K305 PolarHBondContact O-N 2.78Å; N303-K305 PolarHBondContact O-N 3.27Å
306	G	93.2	Very high	94.1	Very high	17 Å²	17	83 Å²	83	18%	0.175	44%	0.444	C	S	.	.			trans	80.1	176	-174.1	0	0	0	0	0	112.5	W238 E240 Y304 W308	W238-G306 PolarHBondContact NE1-O 3.5Å; E240-G306 WeakPolarHBondContact CG-O 3.28Å; Y304-G306 VanDerWaalsContact CZ-CA 3.47Å; G306-W308 PolarHBondContact O-N 3.07Å
307	E	92.7	Very high	94.3	Very high	146 Å²	146	87.1 Å²	87.1	68%	0.682	46%	0.459	S	S	*	.	S	Bend	trans	-62.8	126	172.7	-171.6	-175.6	177.9	0	0	110	K309	E307-K309 PolarHBondContact O-N 3.18Å
308	W	93.9	Very high	94.4	Very high	57 Å²	57	85.2 Å²	85.2	22%	0.216	44%	0.443	C	S	.	.			trans	-68.8	123.5	179.7	-179.6	73.3	0	0	0	110.3	A232 K233 K234 P235 W238 E240 G306 P310	A232-W308 HydrophobicContact CB-CH2 4.27Å; A232-W308 HydrophobicContact CB-CZ2 4.29Å; K233-W308 WeakPolarHBondContact O-CZ2 3.07Å; K234-W308 VanDerWaalsContact CA-CE2 3.43Å; K234-W308 HydrophobicContact CB-CD2 3.63Å; K234-W308 HydrophobicContact CB-CE3 3.65Å; K234-W308 HydrophobicContact CB-CG 4.12Å; K234-W308 HydrophobicContact CB-CH2 4.2Å; K234-W308 HydrophobicContact CB-CZ2 4.23Å; K234-W308 HydrophobicContact CB-CZ3 3.94Å; K234-W308 HydrophobicContact CD-CB 3.92Å; K234-W308 HydrophobicContact CD-CD2 4.34Å; K234-W308 HydrophobicContact CD-CE3 4.36Å; K234-W308 HydrophobicContact CD-CG 4.17Å; K234-W308 HydrophobicContact CG-CB 3.94Å; K234-W308 HydrophobicContact CG-CD2 3.76Å; K234-W308 HydrophobicContact CG-CE3 4.1Å; K234-W308 HydrophobicContact CG-CG 3.68Å; K234-W308 VanDerWaalsContact N-CH2 3.28Å; K234-W308 VanDerWaalsContact N-CZ2 3.29Å; P235-W308 VanDerWaalsContact CD-NE1 3.34Å; W238-W308 HydrophobicContact CD2-CB 4.38Å; W238-W308 AromaticContact CD2-CD1 3.87Å; W238-W308 AromaticContact CE2-CD1 3.98Å; W238-W308 HydrophobicContact CG-CB 4.21Å; E240-W308 VanDerWaalsContact OE1-CB 3.29Å; E240-W308 WeakPolarHBondContact OE1-CB 3.35Å; E240-W308 PolarHBondContact OE1-N 2.91Å; G306-W308 PolarHBondContact O-N 3.07Å; W308-P310 HydrophobicContact CH2-CB 3.58Å; W308-P310 HydrophobicContact CH2-CG 4.42Å; W308-P310 HydrophobicContact CZ2-CB 3.95Å; W308-P310 HydrophobicContact CZ3-CB 3.97Å; W308-P310 HydrophobicContact CZ3-CG 4.34Å
309	K	92.6	Very high	94.4	Very high	165 Å²	165	85.4 Å²	85.4	72%	0.717	44%	0.444	S	S	*	.			trans	-109.8	121.8	172	-66.2	-179	-178.4	178.3	0	108.7	E307	E307-K309 PolarHBondContact O-N 3.18Å
310	P	93.1	Very high	94.3	Very high	43 Å²	43	86.7 Å²	86.7	28%	0.279	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-60.7	143.5	177.3	25.6	-34.1	0	0	0	110.3	V228 A232 W308	V228-P310 HydrophobicContact CB-CG 4.48Å; V228-P310 HydrophobicContact CG1-CB 3.62Å; V228-P310 HydrophobicContact CG1-CG 3.36Å; V228-P310 HydrophobicContact CG2-CG 4.33Å; A232-P310 HydrophobicContact CB-CB 4.03Å; W308-P310 HydrophobicContact CH2-CB 3.58Å; W308-P310 HydrophobicContact CH2-CG 4.42Å; W308-P310 HydrophobicContact CZ2-CB 3.95Å; W308-P310 HydrophobicContact CZ3-CB 3.97Å; W308-P310 HydrophobicContact CZ3-CG 4.34Å
311	P	94.7	Very high	94.3	Very high	70 Å²	70	85.1 Å²	85.1	46%	0.455	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.7	149.1	175	26.6	-35.3	0	0	0	110.7	D229 A232	D229-P311 HydrophobicContact CB-CG 4.26Å; D229-P311 WeakPolarHBondContact CB-O 3.18Å; D229-P311 PolarHBondContact N-O 3.28Å; A232-P311 HydrophobicContact CB-CG 3.78Å
312	K	95.6	Very high	94.3	Very high	151 Å²	151	89.1 Å²	89.1	66%	0.657	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.8	171.2	-66	-177.2	177.6	-177.8	0	109.2	I227	I227-K312 CarbonylContact O-C 3.56Å; I227-K312 VanDerWaalsContact O-CA 3.22Å; I227-K312 WeakPolarHBondContact O-CA 3.39Å
313	I	96.2	Very high	94.4	Very high	65 Å²	65	87.3 Å²	87.3	33%	0.333	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	160	173.6	58.3	171.4	0	0	0	109.7	T226 I227 D229 N315	T226-I313 CarbonylContact C-O 3.56Å; T226-I313 WeakPolarHBondContact CA-O 3.46Å; T226-I313 WeakPolarHBondContact CB-O 3.46Å; I227-I313 HydrophobicContact CG1-CG1 3.97Å; I227-I313 PolarHBondContact N-O 2.81Å; I227-I313 PolarHBondContact O-N 2.97Å; D229-I313 HydrophobicContact CB-CD1 4.24Å; D229-I313 HydrophobicContact CB-CG1 4.19Å; D229-I313 HydrophobicContact CB-CG2 3.89Å; I313-N315 PolarHBondContact O-N 3.37Å
314	D	96.9	Very high	94.6	Very high	134 Å²	134	82.9 Å²	82.9	72%	0.717	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.7	171.5	-68	-25.1	0	0	0	110.1	P316	D314-P316 VanDerWaalsContact O-CD 3.28Å; D314-P316 WeakPolarHBondContact O-CD 3.43Å
315	N	96.4	Very high	94.7	Very high	14 Å²	14	78.3 Å²	78.3	8%	0.075	41%	0.412	C	S	.	.			trans	-82.3	113	179.4	-177	2.7	0	0	0	109.8	P224 R225 I227 I313 E317 F318	P224-N315 WeakPolarHBondContact O-CB 3.32Å; P224-N315 PolarHBondContact O-ND2 3.43Å; R225-N315 WeakPolarHBondContact O-CB 3.47Å; R225-N315 PolarHBondContact O-N 2.98Å; I227-N315 HydrophobicContact CG1-CB 4.2Å; I227-N315 HydrophobicContact CG2-CB 3.88Å; I313-N315 PolarHBondContact O-N 3.37Å; N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 VanDerWaalsContact O-N 3.16Å; N315-E317 WeakPolarHBondContact OD1-CB 3.36Å; N315-E317 PolarHBondContact OD1-N 2.88Å; N315-F318 HydrophobicContact CB-CB 4.06Å; N315-F318 VanDerWaalsContact O-CB 3.27Å; N315-F318 WeakPolarHBondContact O-CB 3.46Å; N315-F318 PolarHBondContact O-N 2.88Å
316	P	95.1	Very high	94.9	Very high	119 Å²	119	75.2 Å²	75.2	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17	178.9	28.3	-35.5	0	0	0	113.2	D314	D314-P316 VanDerWaalsContact O-CD 3.28Å; D314-P316 WeakPolarHBondContact O-CD 3.43Å
317	E	94.5	Very high	95.1	Very high	128 Å²	128	74.6 Å²	74.6	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.9	174.3	-58.1	-172.8	173.8	0	0	113.2	K223 N315 V319	K223-E317 IonicContact NZ-OE2 3.73Å; N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 VanDerWaalsContact O-N 3.16Å; N315-E317 WeakPolarHBondContact OD1-CB 3.36Å; N315-E317 PolarHBondContact OD1-N 2.88Å; E317-V319 PolarHBondContact O-N 3.41Å
318	F	94.9	Very high	95.1	Very high	35 Å²	35	72.7 Å²	72.7	15%	0.154	38%	0.379	C	S	.	.			trans	-70	125.5	177.7	176.2	-111.8	0	0	0	110.8	E216 V222 K223 R225 N315 P320	E216-F318 HydrophobicContact CG-CE2 4.44Å; E216-F318 WeakPolarHBondContact OE1-CE2 3.09Å; E216-F318 WeakPolarHBondContact OE1-CZ 3.46Å; V222-F318 HydrophobicContact CG2-CE2 4.32Å; K223-F318 WeakPolarHBondContact O-CD2 3.31Å; R225-F318 HydrophobicContact CG-CD1 4.01Å; R225-F318 HydrophobicContact CG-CD2 4.08Å; R225-F318 HydrophobicContact CG-CE1 3.66Å; R225-F318 HydrophobicContact CG-CE2 3.74Å; R225-F318 HydrophobicContact CG-CG 4.2Å; R225-F318 HydrophobicContact CG-CZ 3.52Å; R225-F318 VanDerWaalsContact CZ-CZ 3.46Å; N315-F318 HydrophobicContact CB-CB 4.06Å; N315-F318 VanDerWaalsContact O-CB 3.27Å; N315-F318 WeakPolarHBondContact O-CB 3.46Å; N315-F318 PolarHBondContact O-N 2.88Å; F318-P320 HydrophobicContact CD1-CG 4.27Å; F318-P320 HydrophobicContact CE1-CB 4.11Å; F318-P320 HydrophobicContact CE1-CG 3.68Å; F318-P320 HydrophobicContact CZ-CB 4.28Å; F318-P320 HydrophobicContact CZ-CG 4.33Å
319	V	94.2	Very high	95.1	Very high	98 Å²	98	74.4 Å²	74.4	59%	0.594	39%	0.392	S	S	*	.			trans	-116.4	117	172.4	-178.9	0	0	0	0	107.6	E317 E321	E317-V319 PolarHBondContact O-N 3.41Å; V319-E321 PolarHBondContact O-N 2.96Å
320	P	92.4	Very high	95.2	Very high	83 Å²	83	66.7 Å²	66.7	54%	0.539	36%	0.358	S	S	.	.			trans	-62.5	127.7	176.4	-18.2	27.5	0	0	0	111.4	F318	F318-P320 HydrophobicContact CD1-CG 4.27Å; F318-P320 HydrophobicContact CE1-CB 4.11Å; F318-P320 HydrophobicContact CE1-CG 3.68Å; F318-P320 HydrophobicContact CZ-CB 4.28Å; F318-P320 HydrophobicContact CZ-CG 4.33Å
321	E	95.3	Very high	95.3	Very high	63 Å²	63	65.4 Å²	65.4	29%	0.294	35%	0.349	S	S	.	.			trans	-116	96.1	173.4	-69.2	-161.8	-153.1	0	0	110	H168 V222 V319 D323 L324	H168-E321 IonicContact CE1-OE2 3.85Å; H168-E321 PolarHBondContact CE1-OE2 3.37Å; H168-E321 IonicContact NE2-OE1 2.64Å; H168-E321 IonicContact NE2-OE2 3.53Å; H168-E321 PolarHBondContact NE2-OE2 3.39Å; V222-E321 HydrophobicContact CG1-CB 4.13Å; V222-E321 HydrophobicContact CG1-CG 3.89Å; V319-E321 PolarHBondContact O-N 2.96Å; E321-D323 PolarHBondContact O-N 3.46Å; E321-L324 HydrophobicContact CB-CD1 4.43Å; E321-L324 HydrophobicContact CB-CD2 4.01Å; E321-L324 HydrophobicContact CB-CG 3.89Å; E321-L324 WeakPolarHBondContact O-CG 3.46Å
322	P	95	Very high	95.5	Very high	89 Å²	89	62.1 Å²	62.1	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.4	-176.7	28.7	-35.2	0	0	0	113.4	N199 H325	N199-P322 PolarHBondContact ND2-O 2.64Å; N199-P322 PolarHBondContact OD1-O 3.09Å; P322-H325 PolarHBondContact O-CE1 2.7Å; P322-H325 PolarHBondContact O-ND1 3.14Å
323	D	96	Very high	95.6	Very high	67 Å²	67	55 Å²	55	36%	0.358	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	21.2	-171.2	-73.2	-10	0	0	0	113.2	R105 E321 H325 V326	R105-D323 IonicContact CZ-OD1 3.33Å; R105-D323 IonicContact CZ-OD2 3.45Å; R105-D323 VanDerWaalsContact CZ-OD2 3.25Å; R105-D323 VanDerWaalsContact NH1-CG 3.34Å; R105-D323 IonicContact NH1-OD1 2.86Å; R105-D323 IonicContact NH1-OD2 2.7Å; R105-D323 PolarHBondContact NH1-OD2 3.36Å; R105-D323 IonicContact NH2-OD1 3.25Å; R105-D323 PolarHBondContact NH2-OD1 2.72Å; R105-D323 IonicContact NH2-OD2 3.7Å; R105-D323 PolarHBondContact NH2-OD2 3.37Å; E321-D323 PolarHBondContact O-N 3.46Å; D323-H325 PolarHBondContact O-N 2.93Å; D323-V326 HydrophobicContact CB-CB 4.31Å; D323-V326 HydrophobicContact CB-CG2 3.74Å; D323-V326 WeakPolarHBondContact O-CB 3.37Å; D323-V326 WeakPolarHBondContact O-CG2 3.39Å; D323-V326 PolarHBondContact O-N 3.48Å
324	L	96.8	Very high	95.6	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.5	179.3	-71.6	172.9	0	0	0	113.3	N199 L215 E216 M221 V222 E321 V326	N199-L324 PolarHBondContact OD1-N 3.29Å; L215-L324 HydrophobicContact CD1-CB 4.18Å; E216-L324 HydrophobicContact CB-CD1 4.17Å; E216-L324 HydrophobicContact CG-CD1 4.3Å; M221-L324 HydrophobicContact CB-CD2 4.25Å; M221-L324 HydrophobicContact CE-CB 4.41Å; M221-L324 HydrophobicContact CE-CD1 4.49Å; M221-L324 HydrophobicContact CE-CD2 4.26Å; M221-L324 HydrophobicContact SD-CD2 4.49Å; V222-L324 HydrophobicContact CG1-CD1 4.41Å; V222-L324 HydrophobicContact CG1-CD2 4.04Å; V222-L324 HydrophobicContact CG2-CD1 4.44Å; E321-L324 HydrophobicContact CB-CD1 4.43Å; E321-L324 HydrophobicContact CB-CD2 4.01Å; E321-L324 HydrophobicContact CB-CG 3.89Å; E321-L324 WeakPolarHBondContact O-CG 3.46Å; L324-V326 VanDerWaalsContact C-N 3.25Å; L324-V326 PolarHBondContact O-N 3.33Å
325	H	97.1	Very high	95.7	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.028	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.3	176.9	66.8	-85.3	0	0	0	114.4	N104 R105 I195 Y196 P197 N199 L215 P322 D323 Y327	N104-H325 PolarHBondContact ND2-O 3.08Å; N104-H325 PolarHBondContact OD1-O 3.3Å; R105-H325 PolarHBondContact O-NE2 2.95Å; R105-H325 VanDerWaalsContact O-NE2 3.1Å; I195-H325 HydrophobicContact CG2-CB 3.63Å; Y196-H325 VanDerWaalsContact O-CB 3.23Å; Y196-H325 WeakPolarHBondContact O-CB 3.35Å; P197-H325 PolarHBondContact O-CE1 3.34Å; P197-H325 PolarHBondContact O-ND1 2.88Å; N199-H325 WeakPolarHBondContact OD1-CB 3.14Å; N199-H325 PolarHBondContact OD1-N 2.91Å; N199-H325 PolarHBondContact OD1-ND1 3.33Å; L215-H325 HydrophobicContact CD1-CB 3.99Å; P322-H325 PolarHBondContact O-CE1 2.7Å; P322-H325 PolarHBondContact O-ND1 3.14Å; D323-H325 PolarHBondContact O-N 2.93Å; H325-Y327 VanDerWaalsContact O-CD2 3.32Å; H325-Y327 WeakPolarHBondContact O-CD2 3.2Å; H325-Y327 PolarHBondContact O-N 2.82Å
326	V	97.2	Very high	95.8	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.115	25%	0.246	C	C	.	.			trans	-85.5	117.6	-167.5	-176.1	0	0	0	0	111.1	R105 D323 L324 R328	R105-V326 HydrophobicContact CB-CG1 4.25Å; R105-V326 HydrophobicContact CB-CG2 4.49Å; R105-V326 HydrophobicContact CG-CG2 4.2Å; D323-V326 HydrophobicContact CB-CB 4.31Å; D323-V326 HydrophobicContact CB-CG2 3.74Å; D323-V326 WeakPolarHBondContact O-CB 3.37Å; D323-V326 WeakPolarHBondContact O-CG2 3.39Å; D323-V326 PolarHBondContact O-N 3.48Å; L324-V326 VanDerWaalsContact C-N 3.25Å; L324-V326 PolarHBondContact O-N 3.33Å; V326-R328 HydrophobicContact CG1-CG 3.85Å
327	Y	96.4	Very high	95.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.016	21%	0.209	C	C	.	.			trans	-108.5	131.4	166.9	-63	-90.4	0	0	0	109.1	N103 N104 L109 R147 I148 L166 I195 H325 V330	N103-Y327 WeakPolarHBondContact CA-O 3.34Å; N104-Y327 PolarHBondContact N-O 3.08Å; N104-Y327 WeakPolarHBondContact OD1-CA 3.32Å; N104-Y327 WeakPolarHBondContact OD1-CB 3.34Å; N104-Y327 PolarHBondContact OD1-N 3.47Å; N104-Y327 PolarHBondContact OD1-O 3.3Å; L109-Y327 HydrophobicContact CD2-CD2 3.76Å; L109-Y327 HydrophobicContact CD2-CE2 4.38Å; L109-Y327 HydrophobicContact CD2-CG 4.22Å; R147-Y327 HydrophobicContact CB-CD1 3.99Å; R147-Y327 HydrophobicContact CB-CE1 4.05Å; I148-Y327 HydrophobicContact CD1-CD1 4.13Å; I148-Y327 HydrophobicContact CD1-CD2 4.23Å; I148-Y327 HydrophobicContact CD1-CE1 3.73Å; I148-Y327 HydrophobicContact CD1-CE2 3.85Å; I148-Y327 HydrophobicContact CD1-CG 4.37Å; I148-Y327 HydrophobicContact CG1-CD1 4.18Å; I148-Y327 HydrophobicContact CG1-CE1 3.49Å; I148-Y327 VanDerWaalsContact CG1-CE1 3.49Å; I148-Y327 HydrophobicContact CG1-CE2 4.4Å; L166-Y327 WeakPolarHBondContact CD2-OH 3.48Å; I195-Y327 HydrophobicContact CD1-CE2 3.76Å; H325-Y327 VanDerWaalsContact O-CD2 3.32Å; H325-Y327 WeakPolarHBondContact O-CD2 3.2Å; H325-Y327 PolarHBondContact O-N 2.82Å; Y327-V330 HydrophobicContact CD1-CG2 4.46Å
328	R	93.4	Very high	96	Very high	107 Å²	107	37.9 Å²	37.9	40%	0.404	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.6	178	-58.5	-176.5	-176.6	-87.5	14.9	109.2	N103 V326 V330	N103-R328 PolarHBondContact OD1-NH1 2.81Å; V326-R328 HydrophobicContact CG1-CG 3.85Å; R328-V330 PolarHBondContact O-N 2.81Å; R328-V330 VanDerWaalsContact O-N 3.15Å
329	D	92.7	Very high	96	Very high	93 Å²	93	36.2 Å²	36.2	50%	0.497	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	34.4	175.8	-62.9	-58	0	0	0	112.7	I102 K133	I102-D329 PolarHBondContact O-N 3.41Å; K133-D329 WeakPolarHBondContact CA-O 3.34Å; K133-D329 HydrophobicContact CB-CB 4.15Å; K133-D329 WeakPolarHBondContact CB-O 3.45Å; K133-D329 PolarHBondContact N-O 3.02Å
330	V	96.2	Very high	96.1	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.2	171.7	175	0	0	0	0	107.4	P101 I102 L130 M131 R147 Y327 R328	P101-V330 CarbonylContact C-O 3.51Å; P101-V330 WeakPolarHBondContact CA-O 3.43Å; I102-V330 HydrophobicContact CB-CB 4.17Å; I102-V330 HydrophobicContact CD1-CB 4.39Å; I102-V330 HydrophobicContact CD1-CG1 3.99Å; I102-V330 PolarHBondContact N-O 3.28Å; L130-V330 HydrophobicContact CB-CG1 3.84Å; L130-V330 HydrophobicContact CD2-CG1 4.45Å; M131-V330 WeakPolarHBondContact O-CG1 3.48Å; R147-V330 HydrophobicContact CB-CG2 4.18Å; R147-V330 HydrophobicContact CG-CG2 3.77Å; Y327-V330 HydrophobicContact CD1-CG2 4.46Å; R328-V330 PolarHBondContact O-N 2.81Å; R328-V330 VanDerWaalsContact O-N 3.15Å
331	D	95.5	Very high	96.3	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.091	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	4.8	-172.2	83.3	-9	0	0	0	113.9	K97 L98 P101 M131 K133	K97-D331 CarbonylContact C-O 3.53Å; K97-D331 WeakPolarHBondContact CA-O 3.29Å; L98-D331 WeakPolarHBondContact CB-O 3.46Å; L98-D331 WeakPolarHBondContact CG-O 3.42Å; L98-D331 PolarHBondContact N-O 2.91Å; P101-D331 HydrophobicContact CB-CB 3.94Å; P101-D331 HydrophobicContact CG-CB 3.92Å; M131-D331 PolarHBondContact O-N 3.04Å; K133-D331 VanDerWaalsContact CA-OD1 3.25Å; K133-D331 WeakPolarHBondContact CA-OD1 3.43Å; K133-D331 HydrophobicContact CB-CB 4.4Å; K133-D331 WeakPolarHBondContact CG-OD2 3.11Å
332	T	97.2	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.5	-176.1	-56.9	0	0	0	0	109.7	R96 L130 M131 L137	R96-T332 WeakPolarHBondContact O-CA 3.36Å; R96-T332 WeakPolarHBondContact O-CG2 3.43Å; L130-T332 CarbonylContact C-O 3.58Å; L130-T332 WeakPolarHBondContact CA-O 3.43Å; M131-T332 HydrophobicContact CE-CG2 3.26Å; M131-T332 PolarHBondContact N-O 3.01Å; M131-T332 PolarHBondContact O-N 2.84Å; M131-T332 HydrophobicContact SD-CG2 4.35Å; L137-T332 HydrophobicContact CD2-CG2 3.31Å
333	I	97.6	Very high	96.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.5	170	-170.9	168.6	0	0	0	108.8	L42 W55 S95 R96 L98 I128 K129 L130 L349	L42-I333 HydrophobicContact CD1-CD1 4.09Å; L42-I333 HydrophobicContact CD1-CG2 3.63Å; W55-I333 HydrophobicContact CH2-CG2 4.25Å; S95-I333 CarbonylContact C-O 3.56Å; S95-I333 VanDerWaalsContact CA-O 3.24Å; S95-I333 WeakPolarHBondContact CA-O 3.31Å; S95-I333 WeakPolarHBondContact CB-O 3.38Å; R96-I333 HydrophobicContact CG-CG2 3.59Å; R96-I333 PolarHBondContact N-O 3.02Å; R96-I333 PolarHBondContact O-N 3.3Å; L98-I333 HydrophobicContact CD2-CB 4.14Å; L98-I333 HydrophobicContact CD2-CG2 3.81Å; I128-I333 HydrophobicContact CD1-CD1 4.04Å; K129-I333 CarbonylContact O-C 3.58Å; K129-I333 VanDerWaalsContact O-CA 3.3Å; K129-I333 WeakPolarHBondContact O-CA 3.16Å; K129-I333 WeakPolarHBondContact O-CG1 2.99Å; L130-I333 HydrophobicContact CD2-CB 3.83Å; L130-I333 HydrophobicContact CD2-CD1 4.17Å; L130-I333 HydrophobicContact CD2-CG1 3.94Å; I333-L349 HydrophobicContact CD1-CD2 3.79Å
334	G	97.8	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.6	179.3	0	0	0	0	0	112.9	I94 I128 K129	I94-G334 CarbonylContact O-C 3.51Å; I94-G334 WeakPolarHBondContact O-CA 3.38Å; I128-G334 CarbonylContact C-O 3.56Å; K129-G334 PolarHBondContact N-O 2.84Å; K129-G334 PolarHBondContact O-N 2.98Å
335	I	98.4	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.7	171.4	-59.6	161.8	0	0	0	105.5	W55 W67 L83 A93 I94 I128 L337 F346	W55-I335 HydrophobicContact CZ3-CD1 4.5Å; W67-I335 HydrophobicContact CH2-CB 4.12Å; W67-I335 HydrophobicContact CH2-CD1 4.32Å; W67-I335 HydrophobicContact CH2-CG2 3.63Å; W67-I335 HydrophobicContact CZ2-CB 4.24Å; W67-I335 HydrophobicContact CZ2-CG2 3.99Å; L83-I335 HydrophobicContact CD1-CD1 4.47Å; A93-I335 WeakPolarHBondContact CA-O 3.43Å; I94-I335 HydrophobicContact CG2-CB 4.07Å; I94-I335 HydrophobicContact CG2-CD1 4.39Å; I94-I335 PolarHBondContact N-O 2.83Å; I94-I335 PolarHBondContact O-N 3.04Å; I128-I335 HydrophobicContact CG2-CG1 3.84Å; I335-L337 HydrophobicContact CG2-CD2 3.26Å; I335-L337 HydrophobicContact CG2-CG 3.97Å; I335-F346 HydrophobicContact CD1-CB 3.9Å; I335-F346 HydrophobicContact CD1-CD1 3.86Å; I335-F346 HydrophobicContact CD1-CD2 4.29Å; I335-F346 HydrophobicContact CD1-CE1 4.49Å; I335-F346 HydrophobicContact CD1-CG 3.76Å; I335-F346 HydrophobicContact CG1-CD1 4.38Å; I335-F346 HydrophobicContact CG2-CD1 4.44Å; I335-F346 HydrophobicContact CG2-CE1 4.01Å; I335-F346 HydrophobicContact CG2-CE2 4.29Å; I335-F346 HydrophobicContact CG2-CZ 3.96Å
336	E	97.8	Very high	96.5	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.061	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.1	174.5	-175.8	-82.7	154.2	0	0	108.6	Y92 A93 Y127 K129 F140 G142	Y92-E336 CarbonylContact O-C 3.58Å; Y92-E336 WeakPolarHBondContact O-CA 3.4Å; A93-E336 HydrophobicContact CB-CB 4.45Å; A93-E336 HydrophobicContact CB-CG 4.09Å; Y127-E336 WeakPolarHBondContact CE2-O 3.1Å; Y127-E336 PolarHBondContact OH-O 2.8Å; K129-E336 IonicContact NZ-OE2 3.82Å; K129-E336 PolarHBondContact NZ-OE2 2.83Å; F140-E336 HydrophobicContact CE1-CB 3.64Å; F140-E336 HydrophobicContact CE2-CB 4.37Å; F140-E336 HydrophobicContact CZ-CB 3.55Å; G142-E336 WeakPolarHBondContact CA-OE1 3.37Å; G142-E336 WeakPolarHBondContact CA-OE2 3.17Å; G142-E336 PolarHBondContact N-OE1 3.48Å
337	L	97.3	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	157.6	-170.5	51	88.8	0	0	0	112.3	T85 F91 Y92 I335 Q339 F346	T85-L337 HydrophobicContact CG2-CD1 4.47Å; F91-L337 CarbonylContact C-O 3.48Å; F91-L337 WeakPolarHBondContact CA-O 2.98Å; Y92-L337 HydrophobicContact CD2-CD1 4.21Å; Y92-L337 PolarHBondContact N-O 3.05Å; Y92-L337 PolarHBondContact O-N 3.09Å; I335-L337 HydrophobicContact CG2-CD2 3.26Å; I335-L337 HydrophobicContact CG2-CG 3.97Å; L337-Q339 HydrophobicContact CD1-CG 3.4Å; L337-F346 HydrophobicContact CD2-CE1 4.08Å; L337-F346 HydrophobicContact CD2-CE2 4.14Å; L337-F346 HydrophobicContact CD2-CZ 3.38Å
338	W	97.1	Very high	96.2	Very high	88 Å²	88	23.4 Å²	23.4	33%	0.333	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.7	166.6	173.7	-107	0	0	0	110.2	A89 F91 G124 G125	A89-W338 VanDerWaalsContact C-CZ3 3.42Å; A89-W338 HydrophobicContact CB-CH2 3.87Å; A89-W338 HydrophobicContact CB-CZ2 4.03Å; A89-W338 WeakPolarHBondContact O-CH2 3.32Å; A89-W338 WeakPolarHBondContact O-CZ3 3.37Å; F91-W338 HydrophobicContact CB-CE3 4.4Å; F91-W338 HydrophobicContact CD1-CB 3.92Å; F91-W338 HydrophobicContact CD1-CE3 4.13Å; F91-W338 AromaticContact CD2-CE3 3.42Å; F91-W338 HydrophobicContact CD2-CE3 3.42Å; F91-W338 VanDerWaalsContact CD2-CE3 3.42Å; F91-W338 AromaticContact CD2-CZ3 3.74Å; F91-W338 HydrophobicContact CD2-CZ3 3.74Å; F91-W338 HydrophobicContact CE1-CB 3.67Å; F91-W338 HydrophobicContact CE1-CE3 4.23Å; F91-W338 HydrophobicContact CE1-CG 4.42Å; F91-W338 HydrophobicContact CE2-CD2 4.32Å; F91-W338 AromaticContact CE2-CE3 3.52Å; F91-W338 HydrophobicContact CE2-CE3 3.52Å; F91-W338 AromaticContact CE2-CZ3 3.92Å; F91-W338 HydrophobicContact CE2-CZ3 3.92Å; F91-W338 AromaticContact CG-CE3 3.72Å; F91-W338 HydrophobicContact CG-CE3 3.72Å; F91-W338 HydrophobicContact CG-CZ3 4.38Å; F91-W338 HydrophobicContact CZ-CB 4.18Å; F91-W338 HydrophobicContact CZ-CD2 4.35Å; F91-W338 AromaticContact CZ-CE3 3.93Å; F91-W338 HydrophobicContact CZ-CE3 3.93Å; F91-W338 HydrophobicContact CZ-CG 4.48Å; G124-W338 CarbonylContact C-O 3.49Å; G124-W338 WeakPolarHBondContact CA-O 3.12Å; G125-W338 PolarHBondContact N-O 2.95Å
339	Q	95.4	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.3	166.7	-60.8	-165.1	-36.3	0	0	111.8	T85 A89 H90 G125 L337 T344	T85-Q339 VanDerWaalsContact CB-OE1 3.31Å; T85-Q339 VanDerWaalsContact CG2-OE1 3.29Å; T85-Q339 PolarHBondContact OG1-OE1 3.01Å; A89-Q339 VanDerWaalsContact CA-O 3.26Å; A89-Q339 WeakPolarHBondContact CA-O 3.5Å; A89-Q339 PolarHBondContact N-O 3.35Å; A89-Q339 VanDerWaalsContact N-O 3.08Å; H90-Q339 PolarHBondContact N-O 3.3Å; H90-Q339 PolarHBondContact O-N 3.44Å; H90-Q339 VanDerWaalsContact O-N 3.14Å; G125-Q339 PolarHBondContact O-NE2 2.84Å; L337-Q339 HydrophobicContact CD1-CG 3.4Å; Q339-T344 PolarHBondContact NE2-OG1 2.79Å; Q339-T344 PolarHBondContact OE1-OG1 2.73Å
340	V	96.3	Very high	96.4	Very high	52 Å²	52	14.3 Å²	14.3	32%	0.315	7%	0.072	S	C	.	.	S	Bend	trans	-69.8	-51.5	171.4	176.2	0	0	0	0	109.9	D88 A89 D122 C123	D88-V340 CarbonylContact C-O 3.52Å; D88-V340 WeakPolarHBondContact CA-O 3.37Å; D88-V340 WeakPolarHBondContact CB-O 3.27Å; A89-V340 PolarHBondContact N-O 3.32Å; D122-V340 WeakPolarHBondContact OD2-CG1 3.39Å; C123-V340 HydrophobicContact CB-CG2 3.93Å; C123-V340 WeakPolarHBondContact O-CB 2.89Å; C123-V340 WeakPolarHBondContact O-CG2 3.18Å; C123-V340 PolarHBondContact O-N 3.1Å
341	K	96.2	Very high	96.4	Very high	65 Å²	65	14.3 Å²	14.3	28%	0.283	7%	0.071	S	C	.	.	S	Bend	trans	-105.1	127.9	169.5	-62.9	176.5	-169.3	172.5	0	110.9	Q119 D120 D122	Q119-K341 HydrophobicContact CB-CB 4.43Å; Q119-K341 HydrophobicContact CG-CB 3.65Å; Q119-K341 PolarHBondContact NE2-O 3.33Å; D120-K341 PolarHBondContact O-NZ 2.58Å; D120-K341 IonicContact OD2-NZ 3.59Å; D122-K341 WeakPolarHBondContact OD1-CG 3.13Å
342	S	95.6	Very high	96.4	Very high	18 Å²	18	13.5 Å²	13.5	13%	0.126	7%	0.067	C	C	.	.			trans	-83.2	160.7	175.1	63.9	0	0	0	0	112.7	S86 Q87 D88 Q119	S86-S342 PolarHBondContact O-OG 2.9Å; Q87-S342 VanDerWaalsContact C-OG 3.27Å; Q87-S342 PolarHBondContact N-OG 3.46Å; Q87-S342 WeakPolarHBondContact O-CB 3.14Å; D88-S342 PolarHBondContact N-OG 3.49Å; D88-S342 WeakPolarHBondContact OD1-CB 3.14Å; D88-S342 PolarHBondContact OD1-N 2.68Å; D88-S342 PolarHBondContact OD1-OG 3.44Å; Q119-S342 WeakPolarHBondContact CB-O 3.3Å; Q119-S342 WeakPolarHBondContact CG-O 3.46Å
343	G	96.5	Very high	96.3	Very high	9 Å²	9	14.2 Å²	14.2	9%	0.093	7%	0.071	C	C	.	.			trans	126.1	1.2	179.2	0	0	0	0	0	114	Q84 T85 Q119 I345	Q84-G343 PolarHBondContact NE2-O 3.39Å; T85-G343 WeakPolarHBondContact O-CA 3.28Å; T85-G343 PolarHBondContact O-N 3.43Å; T85-G343 PolarHBondContact OG1-N 2.95Å; Q119-G343 VanDerWaalsContact OE1-C 3.26Å; G343-I345 PolarHBondContact O-N 3.09Å
344	T	98	Very high	96.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.			trans	-67.2	130.3	176	-58.8	0	0	0	0	110	Q84 T85 V115 R116 F117 Q119 Q339 F346	Q84-T344 VanDerWaalsContact CA-O 3.28Å; Q84-T344 WeakPolarHBondContact CA-O 3.42Å; T85-T344 PolarHBondContact N-O 2.66Å; T85-T344 PolarHBondContact OG1-N 2.89Å; T85-T344 VanDerWaalsContact OG1-N 3.14Å; V115-T344 HydrophobicContact CG1-CG2 3.56Å; R116-T344 CarbonylContact O-C 3.33Å; R116-T344 WeakPolarHBondContact O-CA 3.39Å; F117-T344 HydrophobicContact CD1-CG2 3.62Å; F117-T344 WeakPolarHBondContact CD1-OG1 3.25Å; F117-T344 HydrophobicContact CE1-CG2 3.66Å; Q119-T344 PolarHBondContact NE2-OG1 3.44Å; Q119-T344 PolarHBondContact OE1-OG1 3.32Å; Q339-T344 PolarHBondContact NE2-OG1 2.79Å; Q339-T344 PolarHBondContact OE1-OG1 2.73Å; T344-F346 HydrophobicContact CG2-CD2 4.14Å; T344-F346 HydrophobicContact CG2-CE2 3.5Å; T344-F346 VanDerWaalsContact CG2-CE2 3.5Å; T344-F346 HydrophobicContact CG2-CZ 3.73Å
345	I	97.2	Very high	96.1	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.051	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	179.3	-52.2	177.1	0	0	0	108.8	L83 Q84 V115 R116 G343	L83-I345 CarbonylContact O-C 3.59Å; L83-I345 WeakPolarHBondContact O-CA 3.36Å; Q84-I345 HydrophobicContact CB-CG1 4.05Å; Q84-I345 HydrophobicContact CG-CG1 3.77Å; V115-I345 CarbonylContact C-O 3.51Å; V115-I345 WeakPolarHBondContact CA-O 3.16Å; R116-I345 HydrophobicContact CB-CB 4.32Å; R116-I345 PolarHBondContact N-O 3.43Å; R116-I345 PolarHBondContact O-N 3.1Å; G343-I345 PolarHBondContact O-N 3.09Å
346	F	96.8	Very high	96	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.4	172.1	-60.8	-100.8	0	0	0	108.9	W67 G82 L83 Y113 V115 G126 I335 L337 T344	W67-F346 HydrophobicContact CH2-CD2 4.07Å; W67-F346 AromaticContact CH2-CE2 3.98Å; W67-F346 HydrophobicContact CH2-CE2 3.98Å; W67-F346 AromaticContact CZ3-CD2 3.81Å; W67-F346 HydrophobicContact CZ3-CD2 3.81Å; W67-F346 HydrophobicContact CZ3-CE2 4.08Å; G82-F346 CarbonylContact C-O 3.5Å; G82-F346 WeakPolarHBondContact CA-O 3.49Å; L83-F346 HydrophobicContact CB-CB 4.47Å; L83-F346 PolarHBondContact N-O 3.34Å; L83-F346 PolarHBondContact O-N 3.46Å; Y113-F346 HydrophobicContact CD2-CD1 4.35Å; Y113-F346 HydrophobicContact CE2-CD1 4.02Å; Y113-F346 HydrophobicContact CE2-CE1 4.39Å; V115-F346 HydrophobicContact CG2-CD1 4.22Å; V115-F346 HydrophobicContact CG2-CE1 4.37Å; G126-F346 WeakPolarHBondContact O-CE1 3.22Å; I335-F346 HydrophobicContact CD1-CB 3.9Å; I335-F346 HydrophobicContact CD1-CD1 3.86Å; I335-F346 HydrophobicContact CD1-CD2 4.29Å; I335-F346 HydrophobicContact CD1-CE1 4.49Å; I335-F346 HydrophobicContact CD1-CG 3.76Å; I335-F346 HydrophobicContact CG1-CD1 4.38Å; I335-F346 HydrophobicContact CG2-CD1 4.44Å; I335-F346 HydrophobicContact CG2-CE1 4.01Å; I335-F346 HydrophobicContact CG2-CE2 4.29Å; I335-F346 HydrophobicContact CG2-CZ 3.96Å; L337-F346 HydrophobicContact CD2-CE1 4.08Å; L337-F346 HydrophobicContact CD2-CE2 4.14Å; L337-F346 HydrophobicContact CD2-CZ 3.38Å; T344-F346 HydrophobicContact CG2-CD2 4.14Å; T344-F346 HydrophobicContact CG2-CE2 3.5Å; T344-F346 VanDerWaalsContact CG2-CE2 3.5Å; T344-F346 HydrophobicContact CG2-CZ 3.73Å
347	D	94.5	Very high	95.8	Very high	14 Å²	14	23 Å²	23	8%	0.075	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	175.3	178.7	-164.9	19.3	0	0	0	111.9	R43 S114 L349	R43-D347 WeakPolarHBondContact CD-OD1 3.42Å; R43-D347 WeakPolarHBondContact CG-OD1 3.2Å; R43-D347 IonicContact NE-OD1 3.33Å; R43-D347 PolarHBondContact NE-OD1 3.36Å; R43-D347 IonicContact NE-OD2 2.74Å; R43-D347 PolarHBondContact NE-OD2 2.65Å; S114-D347 PolarHBondContact N-O 3.06Å; S114-D347 PolarHBondContact O-N 3.31Å; S114-D347 PolarHBondContact OG-O 2.87Å; S114-D347 VanDerWaalsContact OG-O 3.11Å; D347-L349 PolarHBondContact O-N 3.37Å; D347-L349 VanDerWaalsContact O-N 3.08Å
348	N	93.4	Very high	95.7	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.6	30.8	170	-58.3	-62.2	0	0	0	113.7	R43 S114 L350 F361 F362 K365	R43-N348 WeakPolarHBondContact CD-OD1 3.34Å; R43-N348 PolarHBondContact NE-OD1 3.2Å; S114-N348 PolarHBondContact OG-ND2 3.04Å; N348-L350 PolarHBondContact O-N 2.83Å; N348-F361 HydrophobicContact CB-CE1 4.1Å; N348-F361 HydrophobicContact CB-CZ 4.41Å; N348-F362 HydrophobicContact CB-CD1 4.46Å; N348-F362 HydrophobicContact CB-CE1 3.6Å; N348-F362 HydrophobicContact CB-CZ 4.11Å; N348-F362 WeakPolarHBondContact O-CZ 3.4Å; N348-K365 WeakPolarHBondContact OD1-CE 3.36Å; N348-K365 VanDerWaalsContact OD1-CG 3.3Å; N348-K365 WeakPolarHBondContact OD1-CG 3.19Å
349	L	95.1	Very high	95.7	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	109.2	175	-71.2	146	0	0	0	110.1	L42 W55 Y113 I128 I333 D347	L42-L349 HydrophobicContact CB-CB 4.04Å; L42-L349 HydrophobicContact CD1-CB 4.2Å; L42-L349 HydrophobicContact CG-CB 4.4Å; L42-L349 PolarHBondContact N-O 3.21Å; W55-L349 HydrophobicContact CH2-CD1 3.65Å; W55-L349 HydrophobicContact CZ2-CD1 3.64Å; Y113-L349 HydrophobicContact CD2-CD2 4.25Å; Y113-L349 HydrophobicContact CG-CD2 4.03Å; I128-L349 HydrophobicContact CD1-CD2 4.26Å; I128-L349 HydrophobicContact CG2-CD2 3.89Å; I333-L349 HydrophobicContact CD1-CD2 3.79Å; D347-L349 PolarHBondContact O-N 3.37Å; D347-L349 VanDerWaalsContact O-N 3.08Å
350	L	95.5	Very high	95.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.9	-177.1	174.3	64.4	0	0	0	109.3	A112 N348 T352 Y357 A358 F361 F362	A112-L350 PolarHBondContact N-O 3.38Å; A112-L350 PolarHBondContact O-N 3.1Å; A112-L350 VanDerWaalsContact O-O 3.1Å; N348-L350 PolarHBondContact O-N 2.83Å; L350-T352 HydrophobicContact CD2-CG2 4.2Å; L350-T352 HydrophobicContact CG-CG2 4.27Å; L350-Y357 HydrophobicContact CD1-CE1 4Å; L350-Y357 HydrophobicContact CD2-CD1 4.33Å; L350-Y357 HydrophobicContact CD2-CE1 4.11Å; L350-A358 HydrophobicContact CD2-CB 4.1Å; L350-F361 HydrophobicContact CB-CE1 4.41Å; L350-F361 HydrophobicContact CD2-CB 4.24Å; L350-F361 HydrophobicContact CD2-CD1 3.71Å; L350-F361 HydrophobicContact CD2-CE1 4.35Å; L350-F361 HydrophobicContact CD2-CG 4.04Å; L350-F362 HydrophobicContact CD2-CE2 4.35Å
351	I	96.1	Very high	95.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	166.4	-55.8	179.8	0	0	0	107.3	F38 A39 Q40 L98 I102 L109 I110 L130	F38-I351 HydrophobicContact CE1-CG2 4.05Å; A39-I351 CarbonylContact C-O 3.55Å; A39-I351 WeakPolarHBondContact CA-O 3.46Å; Q40-I351 PolarHBondContact N-O 2.88Å; Q40-I351 PolarHBondContact O-N 3.42Å; L98-I351 HydrophobicContact CD1-CD1 3.78Å; L98-I351 HydrophobicContact CD2-CD1 3.71Å; L98-I351 HydrophobicContact CG-CD1 4.43Å; I102-I351 HydrophobicContact CD1-CD1 4.06Å; I102-I351 HydrophobicContact CD1-CG2 4.07Å; I102-I351 HydrophobicContact CG1-CG2 4.34Å; L109-I351 HydrophobicContact CD1-CG2 3.77Å; I110-I351 CarbonylContact O-C 3.59Å; I110-I351 VanDerWaalsContact O-CA 3.31Å; I110-I351 WeakPolarHBondContact O-CA 3.4Å; L130-I351 HydrophobicContact CD2-CD1 3.92Å
352	T	95.3	Very high	95.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	169.7	-176.2	-172	0	0	0	0	111.4	F38 I110 L350 D354 Y357 A358	F38-T352 CarbonylContact O-C 3.55Å; F38-T352 VanDerWaalsContact O-CA 3.22Å; F38-T352 WeakPolarHBondContact O-CA 3.45Å; F38-T352 PolarHBondContact O-OG1 3.08Å; I110-T352 WeakPolarHBondContact CA-O 3.29Å; I110-T352 HydrophobicContact CB-CG2 3.83Å; I110-T352 WeakPolarHBondContact CB-O 3.41Å; I110-T352 HydrophobicContact CD1-CG2 4.36Å; I110-T352 HydrophobicContact CG2-CG2 3.99Å; I110-T352 PolarHBondContact N-O 3.14Å; I110-T352 PolarHBondContact O-N 3Å; L350-T352 HydrophobicContact CD2-CG2 4.2Å; L350-T352 HydrophobicContact CG-CG2 4.27Å; T352-D354 VanDerWaalsContact CG2-O 3.25Å; T352-D354 WeakPolarHBondContact CG2-O 3.07Å; T352-D354 PolarHBondContact OG1-N 3.35Å; T352-Y357 HydrophobicContact CG2-CD1 4.37Å; T352-A358 HydrophobicContact CG2-CB 3.97Å
353	D	95.2	Very high	95.5	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.08	14%	0.139	C	C	.	.	S	Bend	trans	-107.5	3.8	171.5	68.6	-22.5	0	0	0	114	K37 F38 P108	K37-D353 WeakPolarHBondContact CB-OD2 3.41Å; K37-D353 PolarHBondContact N-OD1 2.87Å; K37-D353 VanDerWaalsContact N-OD1 3.13Å; K37-D353 PolarHBondContact N-OD2 3.46Å; F38-D353 PolarHBondContact N-OD1 3.47Å; F38-D353 VanDerWaalsContact N-OD1 3.08Å; F38-D353 PolarHBondContact O-N 3.48Å; F38-D353 VanDerWaalsContact O-N 3.08Å; F38-D353 VanDerWaalsContact O-OD1 3.08Å; P108-D353 WeakPolarHBondContact CB-O 3.4Å; P108-D353 WeakPolarHBondContact CD-O 3.36Å; P108-D353 WeakPolarHBondContact CG-O 3.19Å; P108-D353 WeakPolarHBondContact O-CA 3.47Å; P108-D353 VanDerWaalsContact O-CB 3.28Å; P108-D353 WeakPolarHBondContact O-CB 3.42Å
354	D	95	Very high	95.4	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.128	17%	0.172	C	C	.	.			trans	-126.6	119.9	-177.7	-172.8	-29.7	0	0	0	112	R35 V36 T352 D356 Y357 A358	R35-D354 WeakPolarHBondContact CB-OD2 3.35Å; V36-D354 HydrophobicContact CG2-CB 3.94Å; T352-D354 VanDerWaalsContact CG2-O 3.25Å; T352-D354 WeakPolarHBondContact CG2-O 3.07Å; T352-D354 PolarHBondContact OG1-N 3.35Å; D354-D356 WeakPolarHBondContact OD1-CA 3.47Å; D354-D356 WeakPolarHBondContact OD1-CB 3.16Å; D354-D356 PolarHBondContact OD1-N 2.86Å; D354-Y357 PolarHBondContact OD1-N 3.41Å; D354-A358 PolarHBondContact O-N 3.39Å; D354-A358 VanDerWaalsContact O-N 3.13Å
355	M	95.4	Very high	95	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-75.5	-32.9	-178	179.6	58.2	74.3	0	0	112.3	I110 K192 A194 A358 K359	I110-M355 VanDerWaalsContact CD1-CA 3.45Å; I110-M355 HydrophobicContact CD1-CB 3.71Å; I110-M355 HydrophobicContact CD1-CE 4.27Å; I110-M355 HydrophobicContact CG1-CE 4.26Å; I110-M355 HydrophobicContact CG2-CE 4.08Å; K192-M355 HydrophobicContact CD-SD 4.31Å; A194-M355 HydrophobicContact CB-CE 3.43Å; A194-M355 VanDerWaalsContact CB-CE 3.43Å; M355-A358 PolarHBondContact O-N 3.08Å; M355-K359 HydrophobicContact CG-CD 4.26Å; M355-K359 VanDerWaalsContact O-CG 3.3Å; M355-K359 WeakPolarHBondContact O-CG 3.25Å; M355-K359 PolarHBondContact O-N 2.07Å; M355-K359 HydrophobicContact SD-CG 4.36Å
356	D	95.8	Very high	94.9	Very high	86 Å²	86	39.2 Å²	39.2	46%	0.46	18%	0.178	S	C	.	.	H	α-helix	trans	-69.9	-44	178.3	-65.2	-26.5	0	0	0	109.3	D354 A358 K359 E360	D354-D356 WeakPolarHBondContact OD1-CA 3.47Å; D354-D356 WeakPolarHBondContact OD1-CB 3.16Å; D354-D356 PolarHBondContact OD1-N 2.86Å; D356-A358 VanDerWaalsContact C-N 3.3Å; D356-A358 PolarHBondContact O-N 2.69Å; D356-K359 PolarHBondContact O-N 2.88Å; D356-K359 VanDerWaalsContact O-N 3.14Å; D356-E360 WeakPolarHBondContact O-CG 3.28Å; D356-E360 PolarHBondContact O-N 2.7Å
357	Y	94.9	Very high	94.8	Very high	71 Å²	71	42.3 Å²	42.3	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-55.9	-44.8	170.7	176.5	-95.3	0	0	0	111.9	V36 A39 L350 T352 D354 K359 E360 F361	V36-Y357 HydrophobicContact CG2-CD1 4.36Å; V36-Y357 HydrophobicContact CG2-CD2 3.72Å; V36-Y357 HydrophobicContact CG2-CE2 4.48Å; V36-Y357 HydrophobicContact CG2-CG 3.64Å; A39-Y357 HydrophobicContact CB-CD1 4.43Å; A39-Y357 HydrophobicContact CB-CE1 3.86Å; L350-Y357 HydrophobicContact CD1-CE1 4Å; L350-Y357 HydrophobicContact CD2-CD1 4.33Å; L350-Y357 HydrophobicContact CD2-CE1 4.11Å; T352-Y357 HydrophobicContact CG2-CD1 4.37Å; D354-Y357 PolarHBondContact OD1-N 3.41Å; Y357-K359 PolarHBondContact O-N 2.66Å; Y357-E360 PolarHBondContact O-N 3.19Å; Y357-F361 WeakPolarHBondContact O-CB 3.5Å; Y357-F361 PolarHBondContact O-N 3.39Å
358	A	94.9	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-45.9	176.9	0	0	0	0	0	111.6	I110 L350 T352 D354 M355 D356 F361 F362	I110-A358 HydrophobicContact CG2-CB 4.19Å; L350-A358 HydrophobicContact CD2-CB 4.1Å; T352-A358 HydrophobicContact CG2-CB 3.97Å; D354-A358 PolarHBondContact O-N 3.39Å; D354-A358 VanDerWaalsContact O-N 3.13Å; M355-A358 PolarHBondContact O-N 3.08Å; D356-A358 VanDerWaalsContact C-N 3.3Å; D356-A358 PolarHBondContact O-N 2.69Å; A358-F361 PolarHBondContact O-N 2.74Å; A358-F362 VanDerWaalsContact O-CD2 3.25Å; A358-F362 WeakPolarHBondContact O-CD2 3.44Å; A358-F362 PolarHBondContact O-N 2.78Å; A358-F362 VanDerWaalsContact O-N 3.1Å
359	K	96	Very high	94.9	Very high	77 Å²	77	44.6 Å²	44.6	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-47.3	178.4	-73.6	168.3	-180	170.7	0	111.6	M355 D356 Y357 F362 K363	M355-K359 HydrophobicContact CG-CD 4.26Å; M355-K359 VanDerWaalsContact O-CG 3.3Å; M355-K359 WeakPolarHBondContact O-CG 3.25Å; M355-K359 PolarHBondContact O-N 2.07Å; M355-K359 HydrophobicContact SD-CG 4.36Å; D356-K359 PolarHBondContact O-N 2.88Å; D356-K359 VanDerWaalsContact O-N 3.14Å; Y357-K359 PolarHBondContact O-N 2.66Å; K359-F362 PolarHBondContact O-N 2.77Å; K359-K363 VanDerWaalsContact O-CB 3.32Å; K359-K363 WeakPolarHBondContact O-CB 3.41Å; K359-K363 PolarHBondContact O-N 3.45Å
360	E	95.7	Very high	94.9	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-64.3	-42.4	178.3	-72.6	-173.6	150.4	0	0	112.1	D356 Y357 F362 K363 K364	D356-E360 WeakPolarHBondContact O-CG 3.28Å; D356-E360 PolarHBondContact O-N 2.7Å; Y357-E360 PolarHBondContact O-N 3.19Å; E360-F362 PolarHBondContact O-N 3.31Å; E360-K363 PolarHBondContact O-N 3.47Å; E360-K364 WeakPolarHBondContact O-CB 3.34Å; E360-K364 PolarHBondContact O-N 2.84Å
361	F	94	Very high	94.9	Very high	31 Å²	31	49.3 Å²	49.3	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-54.5	-53.8	175	170.2	-98.5	0	0	0	110.9	L41 N348 L350 Y357 A358 K364 K365	L41-F361 HydrophobicContact CD1-CE1 4.18Å; L41-F361 HydrophobicContact CD1-CE2 3.89Å; L41-F361 HydrophobicContact CD1-CZ 3.42Å; L41-F361 VanDerWaalsContact CD1-CZ 3.42Å; L41-F361 HydrophobicContact CD2-CE2 3.81Å; L41-F361 HydrophobicContact CD2-CZ 4.14Å; L41-F361 HydrophobicContact CG-CE2 4.48Å; L41-F361 HydrophobicContact CG-CZ 4.42Å; N348-F361 HydrophobicContact CB-CE1 4.1Å; N348-F361 HydrophobicContact CB-CZ 4.41Å; L350-F361 HydrophobicContact CB-CE1 4.41Å; L350-F361 HydrophobicContact CD2-CB 4.24Å; L350-F361 HydrophobicContact CD2-CD1 3.71Å; L350-F361 HydrophobicContact CD2-CE1 4.35Å; L350-F361 HydrophobicContact CD2-CG 4.04Å; Y357-F361 WeakPolarHBondContact O-CB 3.5Å; Y357-F361 PolarHBondContact O-N 3.39Å; A358-F361 PolarHBondContact O-N 2.74Å; F361-K364 PolarHBondContact O-N 2.87Å; F361-K365 HydrophobicContact CZ-CG 4.38Å; F361-K365 WeakPolarHBondContact O-CB 3.28Å; F361-K365 PolarHBondContact O-N 3.14Å
362	F	95.2	Very high	94.9	Very high	8 Å²	8	52 Å²	52	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-37.4	-179.8	-79.9	-77.3	0	0	0	113	A112 V190 N348 L350 A358 K359 E360 K365 L366	A112-F362 HydrophobicContact CB-CD2 4.47Å; A112-F362 HydrophobicContact CB-CE2 3.46Å; A112-F362 VanDerWaalsContact CB-CE2 3.46Å; A112-F362 HydrophobicContact CB-CZ 3.95Å; V190-F362 HydrophobicContact CB-CD1 4.19Å; V190-F362 HydrophobicContact CB-CE1 4.38Å; V190-F362 HydrophobicContact CG1-CD1 3.61Å; V190-F362 HydrophobicContact CG1-CD2 3.85Å; V190-F362 HydrophobicContact CG1-CE1 3.63Å; V190-F362 HydrophobicContact CG1-CE2 3.94Å; V190-F362 HydrophobicContact CG1-CG 3.71Å; V190-F362 HydrophobicContact CG1-CZ 3.82Å; V190-F362 HydrophobicContact CG2-CB 4.43Å; V190-F362 HydrophobicContact CG2-CD1 3.42Å; V190-F362 VanDerWaalsContact CG2-CD1 3.42Å; V190-F362 HydrophobicContact CG2-CE1 3.86Å; V190-F362 HydrophobicContact CG2-CG 4.04Å; N348-F362 HydrophobicContact CB-CD1 4.46Å; N348-F362 HydrophobicContact CB-CE1 3.6Å; N348-F362 HydrophobicContact CB-CZ 4.11Å; N348-F362 WeakPolarHBondContact O-CZ 3.4Å; L350-F362 HydrophobicContact CD2-CE2 4.35Å; A358-F362 VanDerWaalsContact O-CD2 3.25Å; A358-F362 WeakPolarHBondContact O-CD2 3.44Å; A358-F362 PolarHBondContact O-N 2.78Å; A358-F362 VanDerWaalsContact O-N 3.1Å; K359-F362 PolarHBondContact O-N 2.77Å; E360-F362 PolarHBondContact O-N 3.31Å; F362-K365 PolarHBondContact O-N 3.02Å; F362-L366 HydrophobicContact CD1-CD1 3.81Å; F362-L366 HydrophobicContact CD1-CG 4.39Å; F362-L366 WeakPolarHBondContact O-CB 3.08Å; F362-L366 PolarHBondContact O-N 3.38Å
363	K	95.5	Very high	94.9	Very high	140 Å²	140	52.3 Å²	52.3	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-57.7	-53.6	174.7	179.6	-179	179.9	179.2	0	110.5	K359 E360 K365 S367	K359-K363 VanDerWaalsContact O-CB 3.32Å; K359-K363 WeakPolarHBondContact O-CB 3.41Å; K359-K363 PolarHBondContact O-N 3.45Å; E360-K363 PolarHBondContact O-N 3.47Å; K363-K365 VanDerWaalsContact C-N 3.34Å; K363-K365 PolarHBondContact O-N 3.16Å; K363-S367 WeakPolarHBondContact O-CB 3.24Å; K363-S367 PolarHBondContact O-N 2.99Å; K363-S367 PolarHBondContact O-OG 3.23Å
364	K	93.4	Very high	95	Very high	180 Å²	180	57.2 Å²	57.2	78%	0.783	29%	0.289	S	S	*	.	H	α-helix	trans	-62	-44.8	178.7	-178.2	176.6	179.9	175.7	0	111.1	E360 F361 S367	E360-K364 WeakPolarHBondContact O-CB 3.34Å; E360-K364 PolarHBondContact O-N 2.84Å; F361-K364 PolarHBondContact O-N 2.87Å; K364-S367 PolarHBondContact O-OG 3.35Å
365	K	91.1	Very high	95	Very high	42 Å²	42	60.4 Å²	60.4	18%	0.183	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-39.4	-172.6	-179.9	59.4	-166.7	151.5	0	113.4	R43 D80 N348 F361 F362 K363	R43-K365 VanDerWaalsContact NH1-CE 3.27Å; R43-K365 VanDerWaalsContact NH1-NZ 3.17Å; D80-K365 WeakPolarHBondContact OD1-CE 3.31Å; D80-K365 IonicContact OD1-NZ 2.8Å; D80-K365 PolarHBondContact OD1-NZ 3.44Å; D80-K365 WeakPolarHBondContact OD2-CE 3.29Å; D80-K365 IonicContact OD2-NZ 2.62Å; D80-K365 PolarHBondContact OD2-NZ 2.64Å; N348-K365 WeakPolarHBondContact OD1-CE 3.36Å; N348-K365 VanDerWaalsContact OD1-CG 3.3Å; N348-K365 WeakPolarHBondContact OD1-CG 3.19Å; F361-K365 HydrophobicContact CZ-CG 4.38Å; F361-K365 WeakPolarHBondContact O-CB 3.28Å; F361-K365 PolarHBondContact O-N 3.14Å; F362-K365 PolarHBondContact O-N 3.02Å; K363-K365 VanDerWaalsContact C-N 3.34Å; K363-K365 PolarHBondContact O-N 3.16Å
366	L	94.6	Very high	95	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-107.9	-11.1	-170.6	-59.5	-179.2	0	0	0	114.2	T188 V190 F362 A368 L369 Q370	T188-L366 HydrophobicContact CG2-CD1 4.12Å; T188-L366 HydrophobicContact CG2-CD2 4.22Å; V190-L366 HydrophobicContact CG2-CD1 3.31Å; F362-L366 HydrophobicContact CD1-CD1 3.81Å; F362-L366 HydrophobicContact CD1-CG 4.39Å; F362-L366 WeakPolarHBondContact O-CB 3.08Å; F362-L366 PolarHBondContact O-N 3.38Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.4Å; L366-L369 HydrophobicContact CD2-CD2 4.07Å; L366-L369 PolarHBondContact O-N 2.88Å; L366-L369 VanDerWaalsContact O-N 3.08Å; L366-Q370 HydrophobicContact CB-CG 4.06Å; L366-Q370 WeakPolarHBondContact O-CB 3.1Å; L366-Q370 WeakPolarHBondContact O-CG 3.46Å; L366-Q370 PolarHBondContact O-N 2.85Å
367	S	94.8	Very high	94.8	Very high	65 Å²	65	60 Å²	60	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-48.5	-49.6	-175.9	52.3	0	0	0	0	114.5	K363 K364 A371	K363-S367 WeakPolarHBondContact O-CB 3.24Å; K363-S367 PolarHBondContact O-N 2.99Å; K363-S367 PolarHBondContact O-OG 3.23Å; K364-S367 PolarHBondContact O-OG 3.35Å; S367-A371 PolarHBondContact O-N 3.15Å; S367-A371 VanDerWaalsContact O-N 3.09Å
368	A	95.1	Very high	94.8	Very high	53 Å²	53	61.7 Å²	61.7	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-41.9	-179.2	0	0	0	0	0	112.2	V76 L366 A371 V372	V76-A368 HydrophobicContact CG1-CB 4.05Å; V76-A368 HydrophobicContact CG2-CB 4.24Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.4Å; A368-A371 PolarHBondContact O-N 3.46Å; A368-V372 PolarHBondContact O-N 3.11Å
369	L	95.1	Very high	94.8	Very high	12 Å²	12	67.3 Å²	67.3	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-45.2	177.5	171.7	62.4	0	0	0	111.3	V76 T188 L366 A371 V372 E373	V76-L369 HydrophobicContact CG2-CB 4.3Å; T188-L369 HydrophobicContact CG2-CD2 4.48Å; L366-L369 HydrophobicContact CD2-CD2 4.07Å; L366-L369 PolarHBondContact O-N 2.88Å; L366-L369 VanDerWaalsContact O-N 3.08Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.07Å; L369-V372 WeakPolarHBondContact O-CB 3.15Å; L369-V372 PolarHBondContact O-N 3.32Å; L369-E373 HydrophobicContact CD1-CG 4Å; L369-E373 HydrophobicContact CG-CG 4.28Å; L369-E373 WeakPolarHBondContact O-CG 3.31Å; L369-E373 PolarHBondContact O-N 3.08Å
370	Q	94.8	Very high	94.5	Very high	55 Å²	55	67 Å²	67	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-32.1	177.8	-74	178.7	-33.2	0	0	112.3	L366 K374	L366-Q370 HydrophobicContact CB-CG 4.06Å; L366-Q370 WeakPolarHBondContact O-CB 3.1Å; L366-Q370 WeakPolarHBondContact O-CG 3.46Å; L366-Q370 PolarHBondContact O-N 2.85Å; Q370-K374 VanDerWaalsContact O-CB 3.23Å; Q370-K374 WeakPolarHBondContact O-CB 3.35Å; Q370-K374 PolarHBondContact O-N 2.92Å
371	A	96.2	Very high	94.3	Very high	54 Å²	54	66.8 Å²	66.8	45%	0.446	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-40.6	172.2	0	0	0	0	0	112	S367 A368 L369 I375	S367-A371 PolarHBondContact O-N 3.15Å; S367-A371 VanDerWaalsContact O-N 3.09Å; A368-A371 PolarHBondContact O-N 3.46Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.07Å; A371-I375 WeakPolarHBondContact O-CG1 3.23Å; A371-I375 PolarHBondContact O-N 2.89Å
372	V	95.6	Very high	94.3	Very high	58 Å²	58	71.7 Å²	71.7	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-68	-45.7	175.1	174.5	0	0	0	0	111.2	L74 V76 A368 L369 K374 I375 E376	L74-V372 HydrophobicContact CD2-CG1 4.46Å; V76-V372 HydrophobicContact CG2-CG2 3.94Å; A368-V372 PolarHBondContact O-N 3.11Å; L369-V372 WeakPolarHBondContact O-CB 3.15Å; L369-V372 PolarHBondContact O-N 3.32Å; V372-K374 VanDerWaalsContact C-N 3.34Å; V372-K374 PolarHBondContact O-N 3.37Å; V372-I375 PolarHBondContact O-N 2.79Å; V372-E376 PolarHBondContact O-N 2.78Å; V372-E376 VanDerWaalsContact O-N 3.08Å
373	E	95.8	Very high	94.1	Very high	7 Å²	7	74.1 Å²	74.1	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-62.1	-40.2	178.1	-71.1	-178.7	163.9	0	0	111.6	L74 R116 F187 T188 L369 I375 E376 S377	L74-E373 HydrophobicContact CD1-CG 4.12Å; R116-E373 IonicContact CZ-OE1 3.1Å; R116-E373 IonicContact NE-OE1 3.8Å; R116-E373 PolarHBondContact NE-OE1 3.21Å; R116-E373 IonicContact NH2-OE1 3.37Å; R116-E373 PolarHBondContact NH2-OE1 2.9Å; F187-E373 HydrophobicContact CB-CB 4.38Å; F187-E373 HydrophobicContact CB-CG 4.49Å; F187-E373 HydrophobicContact CD1-CB 3.62Å; F187-E373 HydrophobicContact CD1-CG 3.8Å; F187-E373 HydrophobicContact CE1-CB 4.23Å; F187-E373 HydrophobicContact CG-CB 4.2Å; T188-E373 WeakPolarHBondContact CB-OE1 3.42Å; T188-E373 WeakPolarHBondContact CB-OE2 3.47Å; T188-E373 PolarHBondContact N-OE1 3.43Å; T188-E373 PolarHBondContact N-OE2 2.87Å; T188-E373 PolarHBondContact OG1-OE1 2.67Å; T188-E373 PolarHBondContact OG1-OE2 2.93Å; L369-E373 HydrophobicContact CD1-CG 4Å; L369-E373 HydrophobicContact CG-CG 4.28Å; L369-E373 WeakPolarHBondContact O-CG 3.31Å; L369-E373 PolarHBondContact O-N 3.08Å; E373-I375 PolarHBondContact O-N 2.92Å; E373-E376 PolarHBondContact O-N 2.9Å; E373-E376 VanDerWaalsContact O-N 3.14Å; E373-S377 PolarHBondContact O-N 2.95Å
374	K	95.5	Very high	93.8	Very high	117 Å²	117	71 Å²	71	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-59.1	-47.6	174.9	-177.5	172.6	-178.6	171.8	0	112	Q370 V372 E376 S377 E378	Q370-K374 VanDerWaalsContact O-CB 3.23Å; Q370-K374 WeakPolarHBondContact O-CB 3.35Å; Q370-K374 PolarHBondContact O-N 2.92Å; V372-K374 VanDerWaalsContact C-N 3.34Å; V372-K374 PolarHBondContact O-N 3.37Å; K374-E376 PolarHBondContact O-N 3.1Å; K374-S377 WeakPolarHBondContact O-CB 3.09Å; K374-S377 PolarHBondContact O-N 3.27Å; K374-E378 WeakPolarHBondContact CE-OE1 3.25Å; K374-E378 WeakPolarHBondContact O-CG 3.45Å; K374-E378 PolarHBondContact O-N 2.7Å
375	I	95.8	Very high	93.6	Very high	92 Å²	92	66 Å²	66	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-39.1	176.7	-68.4	165.3	0	0	0	110.7	A371 V372 E373 K379	A371-I375 WeakPolarHBondContact O-CG1 3.23Å; A371-I375 PolarHBondContact O-N 2.89Å; V372-I375 PolarHBondContact O-N 2.79Å; E373-I375 PolarHBondContact O-N 2.92Å; I375-K379 WeakPolarHBondContact O-CG 3.29Å; I375-K379 PolarHBondContact O-N 3.4Å
376	E	94.3	Very high	93.5	Very high	57 Å²	57	66.1 Å²	66.1	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-72.3	-37.8	179.1	-165.3	62.7	-166.8	0	0	112.6	L74 F187 V372 E373 K374 K379 K380	L74-E376 HydrophobicContact CD1-CB 4.02Å; L74-E376 HydrophobicContact CD1-CG 3.98Å; L74-E376 HydrophobicContact CD2-CG 4.37Å; F187-E376 HydrophobicContact CE1-CB 4.13Å; F187-E376 HydrophobicContact CE1-CG 4.4Å; V372-E376 PolarHBondContact O-N 2.78Å; V372-E376 VanDerWaalsContact O-N 3.08Å; E373-E376 PolarHBondContact O-N 2.9Å; E373-E376 VanDerWaalsContact O-N 3.14Å; K374-E376 PolarHBondContact O-N 3.1Å; E376-K379 PolarHBondContact O-N 2.95Å; E376-K379 WeakPolarHBondContact OE2-CD 3.44Å; E376-K379 IonicContact OE2-NZ 3.36Å; E376-K379 PolarHBondContact OE2-NZ 3.37Å; E376-K380 PolarHBondContact O-N 3.27Å
377	S	93.2	Very high	93.2	Very high	35 Å²	35	70.8 Å²	70.8	25%	0.245	38%	0.378	C	S	.	.	H	α-helix	trans	-58.1	-51.3	172.3	-166.7	0	0	0	0	111.1	F187 E373 K374 K379 K380 D381	F187-S377 VanDerWaalsContact CE2-CB 3.49Å; F187-S377 VanDerWaalsContact CZ-CA 3.47Å; E373-S377 PolarHBondContact O-N 2.95Å; K374-S377 WeakPolarHBondContact O-CB 3.09Å; K374-S377 PolarHBondContact O-N 3.27Å; S377-K379 VanDerWaalsContact C-N 3.26Å; S377-K379 PolarHBondContact O-N 3.15Å; S377-K380 WeakPolarHBondContact O-CB 3.45Å; S377-K380 PolarHBondContact O-N 3.1Å; S377-D381 VanDerWaalsContact O-CG 3.32Å; S377-D381 PolarHBondContact O-N 2.91Å
378	E	94.9	Very high	92.9	Very high	107 Å²	107	71.9 Å²	71.9	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-60.8	-35.5	-179.3	-71	172.3	-176.1	0	0	112.3	K374 K382	K374-E378 WeakPolarHBondContact CE-OE1 3.25Å; K374-E378 WeakPolarHBondContact O-CG 3.45Å; K374-E378 PolarHBondContact O-N 2.7Å; E378-K382 VanDerWaalsContact O-CB 3.32Å; E378-K382 WeakPolarHBondContact O-CB 3.24Å; E378-K382 PolarHBondContact O-N 2.93Å
379	K	94.5	Very high	92.5	Very high	118 Å²	118	69.8 Å²	69.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-43.3	173.3	-72.5	173.2	-162.9	158.6	0	112	I375 E376 S377 K382 A383	I375-K379 WeakPolarHBondContact O-CG 3.29Å; I375-K379 PolarHBondContact O-N 3.4Å; E376-K379 PolarHBondContact O-N 2.95Å; E376-K379 WeakPolarHBondContact OE2-CD 3.44Å; E376-K379 IonicContact OE2-NZ 3.36Å; E376-K379 PolarHBondContact OE2-NZ 3.37Å; S377-K379 VanDerWaalsContact C-N 3.26Å; S377-K379 PolarHBondContact O-N 3.15Å; K379-K382 PolarHBondContact O-N 2.81Å; K379-A383 WeakPolarHBondContact O-CB 3.38Å; K379-A383 PolarHBondContact O-N 2.9Å
380	K	90	Very high	92.1	Very high	70 Å²	70	73.4 Å²	73.4	30%	0.304	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-48.1	177.3	-76.5	-173	177.1	-174.1	0	110.4	E186 F187 E376 S377 K382 A383 T384	E186-K380 IonicContact OE1-NZ 3.4Å; E186-K380 PolarHBondContact OE1-NZ 3.47Å; E186-K380 IonicContact OE2-NZ 3.58Å; E186-K380 PolarHBondContact OE2-NZ 2.72Å; F187-K380 HydrophobicContact CZ-CD 4.47Å; E376-K380 PolarHBondContact O-N 3.27Å; S377-K380 WeakPolarHBondContact O-CB 3.45Å; S377-K380 PolarHBondContact O-N 3.1Å; K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 2.8Å; K380-A383 WeakPolarHBondContact O-CB 3.35Å; K380-A383 PolarHBondContact O-N 3.24Å; K380-A383 VanDerWaalsContact O-N 3.07Å; K380-T384 PolarHBondContact O-N 2.91Å; K380-T384 PolarHBondContact O-OG1 2.78Å; K380-T384 VanDerWaalsContact O-OG1 3.09Å
381	D	91	Very high	91.6	Very high	100 Å²	100	79.7 Å²	79.7	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-44	178.7	-66.7	-26.2	0	0	0	111.7	S377 T384 F385	S377-D381 VanDerWaalsContact O-CG 3.32Å; S377-D381 PolarHBondContact O-N 2.91Å; D381-T384 PolarHBondContact O-N 2.78Å; D381-F385 WeakPolarHBondContact O-CB 3.47Å; D381-F385 PolarHBondContact O-N 3.35Å
382	K	93	Very high	91	Very high	134 Å²	134	85.4 Å²	85.4	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-61.8	-44.8	174.8	-176.6	178.4	178.3	-179.8	0	112.2	E378 K379 K380 F385 D386	E378-K382 VanDerWaalsContact O-CB 3.32Å; E378-K382 WeakPolarHBondContact O-CB 3.24Å; E378-K382 PolarHBondContact O-N 2.93Å; K379-K382 PolarHBondContact O-N 2.81Å; K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 2.8Å; K382-F385 PolarHBondContact O-N 3.08Å; K382-D386 WeakPolarHBondContact O-CB 3.29Å; K382-D386 PolarHBondContact O-N 3.4Å
383	A	91.6	Very high	89.8	Confident	59 Å²	59	86.2 Å²	86.2	49%	0.488	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-43.2	178.9	0	0	0	0	0	111.8	K379 K380 D386 E387	K379-A383 WeakPolarHBondContact O-CB 3.38Å; K379-A383 PolarHBondContact O-N 2.9Å; K380-A383 WeakPolarHBondContact O-CB 3.35Å; K380-A383 PolarHBondContact O-N 3.24Å; K380-A383 VanDerWaalsContact O-N 3.07Å; A383-D386 PolarHBondContact O-N 3.24Å; A383-E387 PolarHBondContact O-N 3.35Å
384	T	89.8	Confident	88	Confident	74 Å²	74	87.6 Å²	87.6	45%	0.454	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.1	-56.6	0	0	0	0	111.4	K380 D381 E387 I388	K380-T384 PolarHBondContact O-N 2.91Å; K380-T384 PolarHBondContact O-OG1 2.78Å; K380-T384 VanDerWaalsContact O-OG1 3.09Å; D381-T384 PolarHBondContact O-N 2.78Å; T384-E387 PolarHBondContact O-N 3.45Å; T384-I388 HydrophobicContact CG2-CD1 4.03Å; T384-I388 VanDerWaalsContact O-CG1 3.31Å; T384-I388 WeakPolarHBondContact O-CG1 3.39Å; T384-I388 PolarHBondContact O-N 3.29Å
385	F	88.3	Confident	86.2	Confident	75 Å²	75	90 Å²	90	33%	0.329	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-47.4	175.4	-179.6	-92	0	0	0	112.1	D381 K382 E387 I388 A389 Q398 V400	D381-F385 WeakPolarHBondContact O-CB 3.47Å; D381-F385 PolarHBondContact O-N 3.35Å; K382-F385 PolarHBondContact O-N 3.08Å; F385-E387 VanDerWaalsContact C-N 3.28Å; F385-E387 PolarHBondContact O-N 3.45Å; F385-I388 PolarHBondContact O-N 3.17Å; F385-A389 HydrophobicContact CE1-CB 4.4Å; F385-A389 WeakPolarHBondContact O-CB 3.12Å; F385-A389 PolarHBondContact O-N 3.27Å; F385-Q398 VanDerWaalsContact CZ-O 3.27Å; F385-Q398 WeakPolarHBondContact CZ-O 3.41Å; F385-V400 HydrophobicContact CE2-CG2 4.21Å; F385-V400 HydrophobicContact CZ-CG2 4.48Å
386	D	90.6	Very high	84.2	Confident	45 Å²	45	90.2 Å²	90.2	24%	0.241	48%	0.478	C	S	.	.	H	α-helix	trans	-63.3	-34.8	179.5	-75.1	-24.4	0	0	0	111.7	K382 A383 S390	K382-D386 WeakPolarHBondContact O-CB 3.29Å; K382-D386 PolarHBondContact O-N 3.4Å; A383-D386 PolarHBondContact O-N 3.24Å; D386-S390 WeakPolarHBondContact O-CB 3.31Å; D386-S390 PolarHBondContact O-N 2.73Å; D386-S390 PolarHBondContact O-OG 2.88Å
387	E	88.1	Confident	82.4	Confident	99 Å²	99	90.4 Å²	90.4	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-48.5	172.7	-171	-173.8	167.9	0	0	111.9	A383 T384 F385 S390 R391	A383-E387 PolarHBondContact O-N 3.35Å; T384-E387 PolarHBondContact O-N 3.45Å; F385-E387 VanDerWaalsContact C-N 3.28Å; F385-E387 PolarHBondContact O-N 3.45Å; E387-S390 PolarHBondContact O-N 2.71Å; E387-R391 WeakPolarHBondContact O-CG 3.49Å; E387-R391 PolarHBondContact O-N 3.04Å; E387-R391 VanDerWaalsContact O-N 3.09Å; E387-R391 IonicContact OE1-CZ 3.8Å; E387-R391 IonicContact OE1-NE 3.1Å; E387-R391 PolarHBondContact OE1-NE 3.1Å; E387-R391 IonicContact OE1-NH2 2.9Å; E387-R391 PolarHBondContact OE1-NH2 2.86Å
388	I	88.8	Confident	80.3	Confident	88 Å²	88	95.5 Å²	95.5	45%	0.451	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-46.9	177.9	-67.7	168.8	0	0	0	110.2	T384 F385 S390 R391 F392	T384-I388 HydrophobicContact CG2-CD1 4.03Å; T384-I388 VanDerWaalsContact O-CG1 3.31Å; T384-I388 WeakPolarHBondContact O-CG1 3.39Å; T384-I388 PolarHBondContact O-N 3.29Å; F385-I388 PolarHBondContact O-N 3.17Å; I388-S390 VanDerWaalsContact C-N 3.28Å; I388-S390 PolarHBondContact O-N 2.55Å; I388-R391 PolarHBondContact O-N 2.86Å; I388-R391 VanDerWaalsContact O-N 3.1Å; I388-F392 HydrophobicContact CG2-CD2 3.82Å; I388-F392 HydrophobicContact CG2-CE2 4.14Å; I388-F392 WeakPolarHBondContact O-CD2 3.32Å; I388-F392 PolarHBondContact O-N 2.96Å
389	A	86.1	Confident	78.1	Confident	10 Å²	10	95.7 Å²	95.7	8%	0.083	53%	0.528	C	S	.	.	H	α-helix	trans	-57.4	-42.9	177.8	0	0	0	0	0	111.5	F385 R391 F392 G393 G394	F385-A389 HydrophobicContact CE1-CB 4.4Å; F385-A389 WeakPolarHBondContact O-CB 3.12Å; F385-A389 PolarHBondContact O-N 3.27Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 PolarHBondContact O-N 3.28Å; A389-F392 PolarHBondContact O-N 3.32Å; A389-G393 PolarHBondContact O-N 3.28Å; A389-G394 PolarHBondContact O-N 2.86Å
390	S	86.4	Confident	75.3	Confident	88 Å²	88	95.2 Å²	95.2	62%	0.615	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-35.1	177.2	-59.9	0	0	0	0	112.9	D386 E387 I388	D386-S390 WeakPolarHBondContact O-CB 3.31Å; D386-S390 PolarHBondContact O-N 2.73Å; D386-S390 PolarHBondContact O-OG 2.88Å; E387-S390 PolarHBondContact O-N 2.71Å; I388-S390 VanDerWaalsContact C-N 3.28Å; I388-S390 PolarHBondContact O-N 2.55Å
391	R	84.7	Confident	72.8	Confident	186 Å²	186	99.1 Å²	99.1	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-72.7	-33.3	176.5	-70.7	-178.1	-174	-161.4	3.8	113.2	E387 I388 A389	E387-R391 WeakPolarHBondContact O-CG 3.49Å; E387-R391 PolarHBondContact O-N 3.04Å; E387-R391 VanDerWaalsContact O-N 3.09Å; E387-R391 IonicContact OE1-CZ 3.8Å; E387-R391 IonicContact OE1-NE 3.1Å; E387-R391 PolarHBondContact OE1-NE 3.1Å; E387-R391 IonicContact OE1-NH2 2.9Å; E387-R391 PolarHBondContact OE1-NH2 2.86Å; I388-R391 PolarHBondContact O-N 2.86Å; I388-R391 VanDerWaalsContact O-N 3.1Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 PolarHBondContact O-N 3.28Å
392	F	82.2	Confident	70.2	Confident	175 Å²	175	99.6 Å²	99.6	77%	0.768	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	12.4	-176.2	-68.2	-76.6	0	0	0	114.4	I388 A389 G394	I388-F392 HydrophobicContact CG2-CD2 3.82Å; I388-F392 HydrophobicContact CG2-CE2 4.14Å; I388-F392 WeakPolarHBondContact O-CD2 3.32Å; I388-F392 PolarHBondContact O-N 2.96Å; A389-F392 PolarHBondContact O-N 3.32Å; F392-G394 VanDerWaalsContact C-N 3.27Å; F392-G394 PolarHBondContact O-N 2.78Å
393	G	72.5	Confident	67.2	Low	74 Å²	74	102 Å²	102	76%	0.763	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	71	18.2	176.7	0	0	0	0	0	114.7	A389	A389-G393 PolarHBondContact O-N 3.28Å
394	G	57.5	Low	64.4	Low	37 Å²	37	103.3 Å²	103.3	38%	0.381	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-77.5	148.4	173	0	0	0	0	0	111.7	A389 F392	A389-G394 PolarHBondContact O-N 2.86Å; F392-G394 VanDerWaalsContact C-N 3.27Å; F392-G394 PolarHBondContact O-N 2.78Å
395	K	57.6	Low	61.7	Low	168 Å²	168	110 Å²	110	73%	0.73	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.2	173.1	-74.3	-178.8	178.4	177.7	0	109.9
396	P	54.4	Low	59.1	Low	95 Å²	95	114.2 Å²	114.2	62%	0.617	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	137.6	172.8	-22.4	31.4	0	0	0	111.5
397	G	55.7	Low	56.3	Low	61 Å²	61	115.5 Å²	115.5	63%	0.629	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	82	12.8	170.7	0	0	0	0	0	118.1	S399	G397-S399 PolarHBondContact O-N 3.49Å
398	Q	50	Low	53.7	Low	142 Å²	142	117.4 Å²	117.4	66%	0.664	66%	0.662	S	S	*	*			trans	-90	97.1	172	-147.9	170.8	19.7	0	0	110.2	F385 V400	F385-Q398 VanDerWaalsContact CZ-O 3.27Å; F385-Q398 WeakPolarHBondContact CZ-O 3.41Å; Q398-V400 PolarHBondContact O-N 2.9Å
399	S	47.2	Very low	51.3	Low	112 Å²	112	120.6 Å²	120.6	78%	0.783	68%	0.675	S	S	*	*			trans	-62.5	102.6	174.3	58.8	0	0	0	0	109.7	G397 N401	G397-S399 PolarHBondContact O-N 3.49Å; S399-N401 PolarHBondContact O-N 3.1Å
400	V	37	Very low	48.8	Very low	108 Å²	108	127.1 Å²	127.1	66%	0.655	71%	0.709	S	S	*	*			trans	-69.8	120.7	161.4	-115.8	0	0	0	0	106	F385 Q398 V402	F385-V400 HydrophobicContact CE2-CG2 4.21Å; F385-V400 HydrophobicContact CZ-CG2 4.48Å; Q398-V400 PolarHBondContact O-N 2.9Å; V400-V402 HydrophobicContact CB-CG2 4.37Å; V400-V402 PolarHBondContact O-N 2.94Å
401	N	36.1	Very low	46.3	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	72%	0.716	S	S	*	*			trans	-69	70.1	174.8	-161.3	-3.1	0	0	0	108.4	S399 K403	S399-N401 PolarHBondContact O-N 3.1Å; N401-K403 VanDerWaalsContact C-N 3.35Å; N401-K403 PolarHBondContact O-N 3.28Å; N401-K403 VanDerWaalsContact O-N 3.1Å
402	V	36	Very low	43.8	Very low	110 Å²	110	129.8 Å²	129.8	67%	0.667	72%	0.724	S	S	*	*			trans	-68	105.2	164	-177.9	0	0	0	0	103	V400 S404	V400-V402 HydrophobicContact CB-CG2 4.37Å; V400-V402 PolarHBondContact O-N 2.94Å; V402-S404 PolarHBondContact O-N 3.38Å
403	K	30.1	Very low	41.3	Very low	186 Å²	186	128.9 Å²	128.9	81%	0.809	72%	0.723	S	S	*	*			trans	-57.7	83.6	166.5	-78	179.4	172.2	179.7	0	107.5	N401 K405	N401-K403 VanDerWaalsContact C-N 3.35Å; N401-K403 PolarHBondContact O-N 3.28Å; N401-K403 VanDerWaalsContact O-N 3.1Å; K403-K405 PolarHBondContact O-N 3.22Å
404	S	34.1	Very low	39.3	Very low	86 Å²	86	130.7 Å²	130.7	60%	0.601	72%	0.724	S	S	*	*			trans	-59.2	117.2	156.2	37.1	0	0	0	0	105	V402 E406	V402-S404 PolarHBondContact O-N 3.38Å; S404-E406 PolarHBondContact O-N 3.26Å
405	K	32.9	Very low	38	Very low	213 Å²	213	134.5 Å²	134.5	93%	0.926	74%	0.744	S	S	*	*			trans	-70.3	67.6	164.3	-80.9	-177.5	171	178.8	0	107.6	K403	K403-K405 PolarHBondContact O-N 3.22Å
406	E	33.5	Very low	36.6	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	75%	0.752	S	S	*	*			trans	-117.9	95.5	163.5	-71.9	-174.1	165.5	0	0	104.4	S404 D408	S404-E406 PolarHBondContact O-N 3.26Å; E406-D408 VanDerWaalsContact C-N 3.33Å; E406-D408 PolarHBondContact O-N 3.13Å
407	G	32.3	Very low	35.4	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	77%	0.766	S	S	*	*			trans	-64.9	98.9	171.6	0	0	0	0	0	107.8	E409	G407-E409 PolarHBondContact O-N 3.17Å
408	D	33.6	Very low	34.2	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	77%	0.772	S	S	*	*			trans	-62.9	83.7	149.2	-91.2	-29.6	0	0	0	106.7	E406	E406-D408 VanDerWaalsContact C-N 3.33Å; E406-D408 PolarHBondContact O-N 3.13Å
409	E	37.3	Very low	33.1	Very low	156 Å²	156	144.4 Å²	144.4	73%	0.729	78%	0.778	S	S	*	*			trans	-96.5	79.6	159.7	-75.3	178.5	-173.7	0	0	107	G407 E411	G407-E409 PolarHBondContact O-N 3.17Å; E409-E411 PolarHBondContact O-N 3.14Å
410	D	34.3	Very low	32.2	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	78%	0.777	S	S	*	*			trans	-67.2	75.6	147.1	-78.1	-36.9	0	0	0	106.9
411	E	34.2	Very low	31.9	Very low	166 Å²	166	151.7 Å²	151.7	78%	0.776	79%	0.79	S	S	*	*			trans	-102.1	106.8	164	-76.7	-161.2	167	0	0	109.2	E409	E409-E411 PolarHBondContact O-N 3.14Å
412	D	31.4	Very low	31.6	Very low	164 Å²	164	154.1 Å²	154.1	88%	0.877	79%	0.793	S	S	*	*			trans	-53.1	151.6	169.8	-80.8	-48.2	0	0	0	112.4
413	E	29.7	Very low	31.3	Very low	156 Å²	156	154 Å²	154	73%	0.729	80%	0.797	S	S	*	*	S	Bend	trans	-47.9	146.1	-175.9	-68.4	165.9	174.2	0	0	116.9
414	S	30.3	Very low	31.3	Very low	112 Å²	112	154.6 Å²	154.6	78%	0.783	80%	0.803	S	S	*	*			trans	78.2	103.9	146.1	74.9	0	0	0	0	119.1
415	S	29.4	Very low	31.2	Very low	117 Å²	117	159.1 Å²	159.1	82%	0.818	81%	0.814	S	S	*	*			trans	-166.6	111.8	130.5	41.8	0	0	0	0	111.7
416	E	29.9	Very low	31.1	Very low	189 Å²	189	153.3 Å²	153.3	88%	0.883	81%	0.806	S	S	*	*			trans	24	107.2	147	-62.2	178.5	164.9	0	0	118.8	E418	E416-E418 PolarHBondContact O-N 3.12Å
417	E	27.9	Very low	31.1	Very low	195 Å²	195	155.5 Å²	155.5	91%	0.911	81%	0.813	S	S	*	*			trans	-64	93.2	159.6	-74.1	-177.5	147.7	0	0	110.7	T419	E417-T419 PolarHBondContact O-N 2.95Å
418	E	30	Very low	31	Very low	163 Å²	163	158.7 Å²	158.7	76%	0.762	81%	0.813	S	S	*	*			trans	-80.5	101.2	154.5	-89.2	-164.6	165.4	0	0	109.2	E416 K420	E416-E418 PolarHBondContact O-N 3.12Å; E418-K420 PolarHBondContact O-N 2.64Å
419	T	27.4	Very low	30.9	Very low	128 Å²	128	160.6 Å²	160.6	79%	0.785	82%	0.817	S	S	*	*			trans	-61.8	101.1	166.9	32.7	0	0	0	0	110.1	E417	E417-T419 PolarHBondContact O-N 2.95Å
420	K	29.1	Very low	30.6	Very low	178 Å²	178	163 Å²	163	77%	0.774	83%	0.825	S	S	*	*			trans	-99	96.8	162.9	-90.1	-179.2	179.1	164.4	0	109.8	E418 K422	E418-K420 PolarHBondContact O-N 2.64Å; K420-K422 PolarHBondContact O-N 2.73Å; K420-K422 VanDerWaalsContact O-N 3.16Å
421	E	29.5	Very low	30.6	Very low	195 Å²	195	164.6 Å²	164.6	91%	0.911	83%	0.828	S	S	*	*			trans	-52.2	113.1	158.4	-76	179.6	145.3	0	0	109
422	K	30.8	Very low	30.5	Very low	202 Å²	202	163.4 Å²	163.4	88%	0.878	83%	0.832	S	S	*	*			trans	-92.7	103.1	169	-110	178.9	177.4	175.1	0	107.7	K420	K420-K422 PolarHBondContact O-N 2.73Å; K420-K422 VanDerWaalsContact O-N 3.16Å
423	S	30.6	Very low	30.7	Very low	106 Å²	106	164.4 Å²	164.4	74%	0.741	83%	0.829	S	S	*	*			trans	-54.6	130	166.9	49.7	0	0	0	0	111.4	E425	S423-E425 PolarHBondContact O-N 3.25Å
424	E	28.8	Very low	31	Very low	200 Å²	200	163.4 Å²	163.4	94%	0.935	83%	0.833	S	S	*	*			trans	-63.3	113	167	-68.1	176.1	141.5	0	0	109.7
425	E	32.1	Very low	31.2	Very low	181 Å²	181	167.1 Å²	167.1	85%	0.846	84%	0.835	S	S	*	*			trans	-100.3	118.4	166	-103.4	-178.5	168.5	0	0	109.3	S423	S423-E425 PolarHBondContact O-N 3.25Å
426	A	32.1	Very low	31.2	Very low	91 Å²	91	170.1 Å²	170.1	75%	0.752	84%	0.836	S	S	*	*			trans	-55	129.2	175.5	0	0	0	0	0	111.6	D428	A426-D428 PolarHBondContact O-N 3.02Å
427	K	32.3	Very low	31.2	Very low	210 Å²	210	169.8 Å²	169.8	91%	0.913	84%	0.835	S	S	*	*			trans	-91.7	95	168.6	-76.8	-177.2	177.5	175.1	0	108.7
428	D	31.4	Very low	31.6	Very low	138 Å²	138	172.6 Å²	172.6	74%	0.738	86%	0.855	S	S	*	*			trans	-67.5	130.7	167.1	-86.8	-33.2	0	0	0	111.6	A426	A426-D428 PolarHBondContact O-N 3.02Å
429	E	30.2	Very low	31.7	Very low	179 Å²	179	173.1 Å²	173.1	84%	0.836	86%	0.859	S	S	*	*			trans	20.1	114.6	143.9	-61.4	-176.6	156.9	0	0	118.3
430	K	32.4	Very low	31.9	Very low	206 Å²	206	175.4 Å²	175.4	90%	0.896	86%	0.863	S	S	*	*			trans	-114.8	108.3	154.3	-85.7	-173.7	176.1	178.6	0	109.9
431	E	33.9	Very low	32.1	Very low	181 Å²	181	175.3 Å²	175.3	85%	0.846	87%	0.868	S	S	*	*			trans	-46.1	124.8	173.2	-65.5	172.8	131.1	0	0	113.2	K433	E431-K433 PolarHBondContact O-N 3.23Å; E431-K433 VanDerWaalsContact O-N 3.14Å
432	T	32.3	Very low	32.2	Very low	141 Å²	141	174.1 Å²	174.1	87%	0.865	87%	0.865	S	S	*	*			trans	-75.6	93.6	169.1	-27.5	0	0	0	0	108.8	V434	T432-V434 PolarHBondContact O-N 2.76Å; T432-V434 VanDerWaalsContact O-N 3.15Å
433	K	34.7	Very low	32.3	Very low	184 Å²	184	172.4 Å²	172.4	80%	0.8	87%	0.865	S	S	*	*			trans	-68.7	107.2	171	-105.8	-179.5	178.3	175.2	0	110.1	E431 K435	E431-K433 PolarHBondContact O-N 3.23Å; E431-K433 VanDerWaalsContact O-N 3.14Å; K433-K435 PolarHBondContact O-N 3.19Å
434	V	34.9	Very low	32.4	Very low	136 Å²	136	176.8 Å²	176.8	82%	0.824	87%	0.873	S	S	*	*			trans	-57.6	113.4	161.5	179.6	0	0	0	0	107.8	T432	T432-V434 PolarHBondContact O-N 2.76Å; T432-V434 VanDerWaalsContact O-N 3.15Å
435	K	36.4	Very low	32.7	Very low	189 Å²	189	175.1 Å²	175.1	82%	0.822	87%	0.869	S	S	*	*			trans	-101.7	104	165.7	-84.8	-171.4	171	-170.1	0	107.7	K433	K433-K435 PolarHBondContact O-N 3.19Å
436	E	27.8	Very low	32.7	Very low	180 Å²	180	174.7 Å²	174.7	84%	0.841	87%	0.87	S	S	*	*			trans	-57.6	127.8	147.6	-72	175.1	138.4	0	0	108.1
437	E	31.2	Very low	32.8	Very low	182 Å²	182	181.7 Å²	181.7	85%	0.85	88%	0.88	S	S	*	*			trans	-170.9	116.7	143.1	-107.3	172.7	-175.7	0	0	109.3
438	L	35.7	Very low	32.8	Very low	254 Å²	254	179.1 Å²	179.1	100%	1.33	88%	0.877	S	S	*	*			trans	78.8	0	169.7	-65.4	164.4	0	0	0	118.9

Retrieved 438 of 438 residues in 233.8 ms (Link to these results)

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