A0A077ZJ15_TRITR Loading...

Allograft inflammatory factor 1

AlphaFold DB , UniProt , Accession A0A077ZJ15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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	41.1	Very low	34.2	Very low	247 Å²	247	135 Å²	135	100%	1.217	83%	0.825	S	S	*	*				0	89.4	0	-79.9	178.4	167.9	0	0	106.7
2	E	30.8	Very low	34.3	Very low	195 Å²	195	132.1 Å²	132.1	91%	0.911	81%	0.807	S	S	*	*			trans	-96.7	130.4	170.3	-84.9	-175.2	126.9	0	0	108.6
3	P	36.5	Very low	34.5	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	78%	0.783	S	S	*	*			trans	-74.8	130.3	-174.8	29.2	-31.3	0	0	0	110.2	S5	P3-S5 PolarHBondContact O-N 3.29Å
4	A	36.1	Very low	34.8	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	77%	0.766	S	S	*	*			trans	-56.4	107.2	171.3	0	0	0	0	0	109.2
5	S	31.5	Very low	35.1	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	77%	0.772	S	S	*	*			trans	-64.4	126.8	172.1	-66.6	0	0	0	0	108.2	P3 S7	P3-S5 PolarHBondContact O-N 3.29Å; S5-S7 PolarHBondContact O-N 3.03Å
6	P	34.7	Very low	35.9	Very low	116 Å²	116	133.9 Å²	133.9	75%	0.753	78%	0.778	S	S	*	*			trans	-64.3	125	-175	23.5	-29.5	0	0	0	108.6	Q8	P6-Q8 PolarHBondContact O-N 2.83Å
7	S	34	Very low	36.2	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	75%	0.752	S	S	*	*			trans	-50.8	104.9	170	52.5	0	0	0	0	108	S5 N9	S5-S7 PolarHBondContact O-N 3.03Å; S7-N9 PolarHBondContact O-N 2.85Å
8	Q	33	Very low	36.7	Very low	192 Å²	192	125.2 Å²	125.2	90%	0.897	73%	0.728	S	S	*	*			trans	-59.8	97.1	167.8	-73.2	-177.1	-7.8	0	0	106.1	P6 G10	P6-Q8 PolarHBondContact O-N 2.83Å; Q8-G10 VanDerWaalsContact C-N 3.26Å; Q8-G10 PolarHBondContact O-N 2.71Å
9	N	33.6	Very low	37.1	Very low	149 Å²	149	122.6 Å²	122.6	80%	0.797	71%	0.714	S	S	*	*			trans	-54	101.1	163.2	-83.7	-27.1	0	0	0	105.5	S7 A11	S7-N9 PolarHBondContact O-N 2.85Å; N9-A11 VanDerWaalsContact C-N 3.29Å; N9-A11 PolarHBondContact O-N 3.03Å
10	G	30.9	Very low	37.6	Very low	64 Å²	64	116.5 Å²	116.5	66%	0.66	68%	0.679	S	S	*	*			trans	-57.5	96.4	-179.8	0	0	0	0	0	108.4	Q8 V12	Q8-G10 VanDerWaalsContact C-N 3.26Å; Q8-G10 PolarHBondContact O-N 2.71Å; G10-V12 PolarHBondContact O-N 3.03Å
11	A	34.1	Very low	38.2	Very low	97 Å²	97	111.9 Å²	111.9	80%	0.802	65%	0.654	S	S	*	*			trans	-65.2	86.3	161.4	0	0	0	0	0	105.5	N9 S13	N9-A11 VanDerWaalsContact C-N 3.29Å; N9-A11 PolarHBondContact O-N 3.03Å; A11-S13 PolarHBondContact O-N 2.91Å
12	V	35.3	Very low	38.7	Very low	100 Å²	100	101 Å²	101	61%	0.606	60%	0.604	S	S	*	*			trans	-54.2	113.8	172.5	178.5	0	0	0	0	105.7	G10 L14 L17	G10-V12 PolarHBondContact O-N 3.03Å; V12-L14 PolarHBondContact O-N 2.93Å; V12-L17 HydrophobicContact CG1-CD1 4.19Å
13	S	36.5	Very low	39.7	Very low	71 Å²	71	91.9 Å²	91.9	50%	0.497	56%	0.561	S	S	.	*			trans	-50.5	108	177.6	168	0	0	0	0	108.9	A11 Q15 K16	A11-S13 PolarHBondContact O-N 2.91Å; S13-Q15 PolarHBondContact O-N 3.01Å; S13-K16 PolarHBondContact O-N 3.13Å
14	L	38.9	Very low	40.6	Very low	103 Å²	103	86.5 Å²	86.5	54%	0.539	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-59.7	-15.6	-179.9	-77.9	157.6	0	0	0	112.1	V12 K16 L17 A22	V12-L14 PolarHBondContact O-N 2.93Å; L14-K16 PolarHBondContact O-N 2.75Å; L14-K16 VanDerWaalsContact O-N 3.14Å; L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 PolarHBondContact O-N 3.14Å; L14-A22 HydrophobicContact CD2-CB 3.78Å
15	Q	40.1	Very low	41.7	Very low	185 Å²	185	84.6 Å²	84.6	86%	0.864	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-64.2	-15.9	-178.8	-72	-176.7	-24.6	0	0	114.5	S13	S13-Q15 PolarHBondContact O-N 3.01Å
16	K	46.9	Very low	43	Very low	199 Å²	199	83.5 Å²	83.5	87%	0.865	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-105.2	-2.3	176.7	-77.1	-172	177.7	-179.1	0	114.7	S13 L14	S13-K16 PolarHBondContact O-N 3.13Å; L14-K16 PolarHBondContact O-N 2.75Å; L14-K16 VanDerWaalsContact O-N 3.14Å
17	L	41.7	Very low	44.2	Very low	63 Å²	63	78.9 Å²	78.9	33%	0.33	45%	0.451	S	S	.	.	S	Bend	trans	-91.4	138.1	-177.2	-68.8	169.8	0	0	0	109.6	V12 L14 A21 A22	V12-L17 HydrophobicContact CG1-CD1 4.19Å; L14-L17 HydrophobicContact CD2-CD1 4.07Å; L14-L17 PolarHBondContact O-N 3.14Å; L17-A21 HydrophobicContact CB-CB 4.07Å; L17-A21 HydrophobicContact CD2-CB 3.84Å; L17-A21 HydrophobicContact CG-CB 4.48Å; L17-A22 HydrophobicContact CB-CB 4.38Å
18	S	44.1	Very low	45.5	Very low	47 Å²	47	74.1 Å²	74.1	33%	0.329	42%	0.417	S	S	.	.			trans	-59.4	155.1	166.1	62.5	0	0	0	0	109.5	G20 A21 A22	S18-G20 PolarHBondContact O-N 2.93Å; S18-G20 VanDerWaalsContact O-N 3.15Å; S18-A21 PolarHBondContact O-N 3.08Å; S18-A21 PolarHBondContact OG-N 3.05Å; S18-A22 PolarHBondContact O-N 2.93Å
19	V	45.4	Very low	47.3	Very low	76 Å²	76	68.5 Å²	68.5	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-52	-41.1	177.4	175.8	0	0	0	0	110	A22 L23	V19-A22 PolarHBondContact O-N 2.83Å; V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 4.37Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CD1 3.24Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 2.95Å
20	G	45.9	Very low	48.7	Very low	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-54.3	-55.5	171.5	0	0	0	0	0	113.2	S18 A22 L23 V24 F198	S18-G20 PolarHBondContact O-N 2.93Å; S18-G20 VanDerWaalsContact O-N 3.15Å; G20-A22 PolarHBondContact O-N 2.81Å; G20-L23 WeakPolarHBondContact O-CB 3.13Å; G20-L23 PolarHBondContact O-N 3.43Å; G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 3.08Å; G20-F198 WeakPolarHBondContact O-CE2 3.32Å; G20-F198 WeakPolarHBondContact O-CZ 3.15Å
21	A	51.1	Low	50.1	Low	21 Å²	21	64.9 Å²	64.9	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-38.1	-178.3	0	0	0	0	0	113.3	L17 S18 L23 V24 Q25	L17-A21 HydrophobicContact CB-CB 4.07Å; L17-A21 HydrophobicContact CD2-CB 3.84Å; L17-A21 HydrophobicContact CG-CB 4.48Å; S18-A21 PolarHBondContact O-N 3.08Å; S18-A21 PolarHBondContact OG-N 3.05Å; A21-L23 VanDerWaalsContact C-N 3.35Å; A21-V24 PolarHBondContact O-N 3.04Å; A21-Q25 PolarHBondContact O-N 3.4Å; A21-Q25 VanDerWaalsContact O-N 3.08Å
22	A	51.8	Low	51.9	Low	18 Å²	18	65.2 Å²	65.2	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-42.5	174.3	0	0	0	0	0	111.8	L14 L17 S18 V19 G20 Q25 Q26	L14-A22 HydrophobicContact CD2-CB 3.78Å; L17-A22 HydrophobicContact CB-CB 4.38Å; S18-A22 PolarHBondContact O-N 2.93Å; V19-A22 PolarHBondContact O-N 2.83Å; G20-A22 PolarHBondContact O-N 2.81Å; A22-Q25 PolarHBondContact O-N 2.82Å; A22-Q26 WeakPolarHBondContact O-CG 3.3Å; A22-Q26 PolarHBondContact O-N 2.88Å
23	L	51.9	Low	53.4	Low	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-38.7	177.4	-75.3	167.9	0	0	0	112.6	V19 G20 A21 Q25 Q26 F27 F198 L201 R202 K205	V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 4.37Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CD1 3.24Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 2.95Å; G20-L23 WeakPolarHBondContact O-CB 3.13Å; G20-L23 PolarHBondContact O-N 3.43Å; A21-L23 VanDerWaalsContact C-N 3.35Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.4Å; L23-Q26 WeakPolarHBondContact O-CB 3.34Å; L23-Q26 PolarHBondContact O-N 3.17Å; L23-F27 PolarHBondContact O-N 3.04Å; L23-F198 HydrophobicContact CB-CD2 4.35Å; L23-F198 HydrophobicContact CB-CE2 3.46Å; L23-F198 VanDerWaalsContact CB-CE2 3.46Å; L23-F198 HydrophobicContact CB-CZ 4.14Å; L23-L201 HydrophobicContact CD2-CD2 4.36Å; L23-L201 HydrophobicContact CD2-CG 4.41Å; L23-R202 HydrophobicContact CD1-CB 3.69Å; L23-R202 HydrophobicContact CD1-CG 3.61Å; L23-K205 HydrophobicContact CD2-CD 3.74Å
24	V	54.1	Low	54.8	Low	1 Å²	1	71.3 Å²	71.3	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-36.3	178.7	-156.1	0	0	0	0	109.6	G20 A21 Q26 F27 V28 I48 F53 F198	G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 3.08Å; A21-V24 PolarHBondContact O-N 3.04Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-Q26 PolarHBondContact O-N 2.86Å; V24-F27 WeakPolarHBondContact O-CB 3.39Å; V24-F27 PolarHBondContact O-N 3.25Å; V24-F27 VanDerWaalsContact O-N 3.14Å; V24-V28 PolarHBondContact O-N 2.91Å; V24-I48 HydrophobicContact CB-CD1 3.89Å; V24-I48 HydrophobicContact CB-CG1 3.61Å; V24-I48 HydrophobicContact CG1-CD1 3.6Å; V24-I48 HydrophobicContact CG1-CG1 3.18Å; V24-I48 HydrophobicContact CG2-CG1 4.28Å; V24-F53 HydrophobicContact CG2-CD2 4.27Å; V24-F53 HydrophobicContact CG2-CE2 3.41Å; V24-F53 VanDerWaalsContact CG2-CE2 3.41Å; V24-F53 HydrophobicContact CG2-CZ 3.66Å; V24-F198 HydrophobicContact CB-CD2 3.89Å; V24-F198 HydrophobicContact CB-CE2 3.88Å; V24-F198 HydrophobicContact CG1-CD2 4.06Å; V24-F198 HydrophobicContact CG2-CD2 3.45Å; V24-F198 VanDerWaalsContact CG2-CD2 3.45Å; V24-F198 HydrophobicContact CG2-CE1 4.41Å; V24-F198 HydrophobicContact CG2-CE2 3.16Å; V24-F198 HydrophobicContact CG2-CG 4.15Å; V24-F198 HydrophobicContact CG2-CZ 3.7Å; V24-F198 VanDerWaalsContact N-CE2 3.28Å
25	Q	60.4	Low	56.6	Low	61 Å²	61	73.5 Å²	73.5	29%	0.285	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-40.6	173.8	-169.9	60.6	57.9	0	0	111.5	A21 A22 L23 V28 N29	A21-Q25 PolarHBondContact O-N 3.4Å; A21-Q25 VanDerWaalsContact O-N 3.08Å; A22-Q25 PolarHBondContact O-N 2.82Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.4Å; Q25-V28 PolarHBondContact O-N 3.35Å; Q25-N29 PolarHBondContact NE2-OD1 3.12Å; Q25-N29 WeakPolarHBondContact O-CB 3.45Å; Q25-N29 PolarHBondContact O-N 2.9Å; Q25-N29 PolarHBondContact O-ND2 3.4Å; Q25-N29 PolarHBondContact O-OD1 3.46Å
26	Q	59.3	Low	58	Low	86 Å²	86	66.2 Å²	66.2	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-41.3	173.1	-73	-179.5	-2.1	0	0	112.2	A22 L23 V24 N29 K30	A22-Q26 WeakPolarHBondContact O-CG 3.3Å; A22-Q26 PolarHBondContact O-N 2.88Å; L23-Q26 WeakPolarHBondContact O-CB 3.34Å; L23-Q26 PolarHBondContact O-N 3.17Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-Q26 PolarHBondContact O-N 2.86Å; Q26-N29 PolarHBondContact O-N 3.15Å; Q26-K30 PolarHBondContact O-N 2.86Å
27	F	59	Low	59.2	Low	19 Å²	19	60.4 Å²	60.4	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-45.4	176.5	176.5	-121.7	0	0	0	112.2	L23 V24 N29 K30 L31 L194 N197 L201	L23-F27 PolarHBondContact O-N 3.04Å; V24-F27 WeakPolarHBondContact O-CB 3.39Å; V24-F27 PolarHBondContact O-N 3.25Å; V24-F27 VanDerWaalsContact O-N 3.14Å; F27-N29 VanDerWaalsContact C-N 3.28Å; F27-N29 PolarHBondContact O-N 3.45Å; F27-K30 WeakPolarHBondContact O-CB 3.18Å; F27-K30 PolarHBondContact O-N 3.17Å; F27-K30 VanDerWaalsContact O-N 3.09Å; F27-L31 HydrophobicContact CD1-CD1 4.2Å; F27-L31 HydrophobicContact CE1-CD1 3.81Å; F27-L31 HydrophobicContact CE1-CG 4.43Å; F27-L31 HydrophobicContact CE2-CD1 4.39Å; F27-L31 HydrophobicContact CE2-CD2 4.15Å; F27-L31 HydrophobicContact CE2-CG 4.14Å; F27-L31 HydrophobicContact CZ-CD1 3.89Å; F27-L31 HydrophobicContact CZ-CD2 4.08Å; F27-L31 HydrophobicContact CZ-CG 4.1Å; F27-L31 WeakPolarHBondContact O-CG 3.33Å; F27-L31 PolarHBondContact O-N 2.72Å; F27-L194 HydrophobicContact CD1-CD2 4.36Å; F27-L194 HydrophobicContact CE1-CB 3.91Å; F27-L194 HydrophobicContact CE1-CD2 3.24Å; F27-L194 HydrophobicContact CE1-CG 4.16Å; F27-L194 WeakPolarHBondContact CE1-O 3.12Å; F27-L194 HydrophobicContact CZ-CD2 3.55Å; F27-N197 HydrophobicContact CD2-CB 4.29Å; F27-N197 HydrophobicContact CE1-CB 4.22Å; F27-N197 HydrophobicContact CE2-CB 3.47Å; F27-N197 VanDerWaalsContact CE2-CB 3.47Å; F27-N197 HydrophobicContact CZ-CB 3.42Å; F27-N197 VanDerWaalsContact CZ-CB 3.42Å; F27-L201 HydrophobicContact CB-CD2 4.28Å
28	V	61.7	Low	60.8	Low	0 Å²	0	64 Å²	64	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-41	173	169.2	0	0	0	0	111.3	V24 Q25 K30 L31 R32 I41 A44 E45 I48	V24-V28 PolarHBondContact O-N 2.91Å; Q25-V28 PolarHBondContact O-N 3.35Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.24Å; V28-L31 PolarHBondContact O-N 2.97Å; V28-R32 WeakPolarHBondContact O-CG 3.35Å; V28-R32 PolarHBondContact O-N 3.12Å; V28-I41 HydrophobicContact CG1-CG2 4.37Å; V28-A44 HydrophobicContact CG2-CB 3.77Å; V28-E45 HydrophobicContact CG1-CG 4.05Å; V28-E45 HydrophobicContact CG2-CG 4.42Å; V28-I48 HydrophobicContact CB-CD1 4.44Å; V28-I48 HydrophobicContact CG2-CD1 3.5Å
29	N	70.2	Confident	62	Low	75 Å²	75	63.6 Å²	63.6	40%	0.401	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-38.4	175.2	-68.2	-14.1	0	0	0	112	Q25 Q26 F27 R32 S33	Q25-N29 PolarHBondContact NE2-OD1 3.12Å; Q25-N29 WeakPolarHBondContact O-CB 3.45Å; Q25-N29 PolarHBondContact O-N 2.9Å; Q25-N29 PolarHBondContact O-ND2 3.4Å; Q25-N29 PolarHBondContact O-OD1 3.46Å; Q26-N29 PolarHBondContact O-N 3.15Å; F27-N29 VanDerWaalsContact C-N 3.28Å; F27-N29 PolarHBondContact O-N 3.45Å; N29-R32 PolarHBondContact O-N 2.82Å; N29-R32 PolarHBondContact OD1-NH1 2.89Å; N29-S33 PolarHBondContact O-N 3.21Å
30	K	64.3	Low	62.5	Low	107 Å²	107	60.5 Å²	60.5	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-38.2	173.3	-78.7	-176	178.1	-178.8	0	112.7	Q26 F27 V28 R32 S33 R34	Q26-K30 PolarHBondContact O-N 2.86Å; F27-K30 WeakPolarHBondContact O-CB 3.18Å; F27-K30 PolarHBondContact O-N 3.17Å; F27-K30 VanDerWaalsContact O-N 3.09Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.24Å; K30-R32 VanDerWaalsContact C-N 3.34Å; K30-S33 WeakPolarHBondContact CA-OG 3.45Å; K30-S33 PolarHBondContact O-N 3.33Å; K30-S33 PolarHBondContact O-OG 3.18Å; K30-R34 WeakPolarHBondContact O-CB 3.08Å; K30-R34 WeakPolarHBondContact O-CG 3.45Å; K30-R34 PolarHBondContact O-N 3.48Å
31	L	59.4	Low	63.3	Low	30 Å²	30	61.4 Å²	61.4	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-44.2	174.6	-70.1	172.1	0	0	0	111.1	F27 V28 R34 N35 A36 I41 A44 L194	F27-L31 HydrophobicContact CD1-CD1 4.2Å; F27-L31 HydrophobicContact CE1-CD1 3.81Å; F27-L31 HydrophobicContact CE1-CG 4.43Å; F27-L31 HydrophobicContact CE2-CD1 4.39Å; F27-L31 HydrophobicContact CE2-CD2 4.15Å; F27-L31 HydrophobicContact CE2-CG 4.14Å; F27-L31 HydrophobicContact CZ-CD1 3.89Å; F27-L31 HydrophobicContact CZ-CD2 4.08Å; F27-L31 HydrophobicContact CZ-CG 4.1Å; F27-L31 WeakPolarHBondContact O-CG 3.33Å; F27-L31 PolarHBondContact O-N 2.72Å; V28-L31 PolarHBondContact O-N 2.97Å; L31-R34 CarbonylContact O-C 3.45Å; L31-R34 PolarHBondContact O-N 3.47Å; L31-N35 PolarHBondContact O-N 2.85Å; L31-A36 HydrophobicContact CB-CB 3.95Å; L31-A36 HydrophobicContact CD2-CB 4.07Å; L31-A36 VanDerWaalsContact O-CB 3.3Å; L31-A36 WeakPolarHBondContact O-CB 3.38Å; L31-A36 PolarHBondContact O-N 2.97Å; L31-I41 HydrophobicContact CB-CG1 4.2Å; L31-A44 HydrophobicContact CD1-CB 3.85Å; L31-L194 HydrophobicContact CD1-CD2 3.33Å; L31-L194 HydrophobicContact CD2-CD2 4.48Å; L31-L194 HydrophobicContact CG-CD2 4.5Å
32	R	71.1	Confident	64	Low	103 Å²	103	67.9 Å²	67.9	39%	0.389	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-46.1	174.3	-69.3	171.8	-174	158.3	-9.4	111.5	V28 N29 K30 R34 N35 I41 E45	V28-R32 WeakPolarHBondContact O-CG 3.35Å; V28-R32 PolarHBondContact O-N 3.12Å; N29-R32 PolarHBondContact O-N 2.82Å; N29-R32 PolarHBondContact OD1-NH1 2.89Å; K30-R32 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 3.1Å; R32-N35 PolarHBondContact O-N 3.21Å; R32-N35 VanDerWaalsContact O-N 3.1Å; R32-I41 HydrophobicContact CG-CD1 3.87Å; R32-I41 HydrophobicContact CG-CG1 4.32Å; R32-I41 HydrophobicContact CG-CG2 4.16Å; R32-E45 IonicContact CZ-OE1 2.82Å; R32-E45 IonicContact NE-OE1 3.15Å; R32-E45 IonicContact NH2-OE1 2.84Å; R32-E45 PolarHBondContact NH2-OE1 3.47Å
33	S	68.2	Low	64.3	Low	90 Å²	90	67.6 Å²	67.6	63%	0.629	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-23.8	179.4	73	0	0	0	0	113.3	N29 K30	N29-S33 PolarHBondContact O-N 3.21Å; K30-S33 WeakPolarHBondContact CA-OG 3.45Å; K30-S33 PolarHBondContact O-N 3.33Å; K30-S33 PolarHBondContact O-OG 3.18Å
34	R	66.2	Low	64.5	Low	209 Å²	209	67.4 Å²	67.4	79%	0.789	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	11.6	176.2	-70.7	-173.8	174.8	-172.3	-1.4	113.5	K30 L31 R32 A36	K30-R34 WeakPolarHBondContact O-CB 3.08Å; K30-R34 WeakPolarHBondContact O-CG 3.45Å; K30-R34 PolarHBondContact O-N 3.48Å; L31-R34 CarbonylContact O-C 3.45Å; L31-R34 PolarHBondContact O-N 3.47Å; R32-R34 PolarHBondContact O-N 3.1Å; R34-A36 PolarHBondContact O-N 3.37Å
35	N	75.1	Confident	64.9	Low	150 Å²	150	70.4 Å²	70.4	80%	0.802	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.9	-177.9	-63.4	-33.4	0	0	0	113	L31 R32	L31-N35 PolarHBondContact O-N 2.85Å; R32-N35 PolarHBondContact O-N 3.21Å; R32-N35 VanDerWaalsContact O-N 3.1Å
36	A	69.4	Low	64.9	Low	31 Å²	31	72.4 Å²	72.4	26%	0.256	37%	0.368	S	S	.	.			trans	-56.9	154.9	170.6	0	0	0	0	0	110.1	L31 R34 I41	L31-A36 HydrophobicContact CB-CB 3.95Å; L31-A36 HydrophobicContact CD2-CB 4.07Å; L31-A36 VanDerWaalsContact O-CB 3.3Å; L31-A36 WeakPolarHBondContact O-CB 3.38Å; L31-A36 PolarHBondContact O-N 2.97Å; R34-A36 PolarHBondContact O-N 3.37Å; A36-I41 HydrophobicContact CB-CG1 4.24Å; A36-I41 WeakPolarHBondContact O-CD1 3.36Å
37	S	73.2	Confident	64.6	Low	77 Å²	77	68.9 Å²	68.9	54%	0.538	35%	0.352	S	S	.	.			trans	-59.2	144.8	-179.3	71.4	0	0	0	0	111.1	G39 G40 I41	S37-G39 PolarHBondContact O-N 2.96Å; S37-G39 VanDerWaalsContact O-N 3.14Å; S37-G40 PolarHBondContact O-N 3Å; S37-G40 PolarHBondContact OG-N 3.05Å; S37-G40 VanDerWaalsContact OG-N 3.1Å; S37-I41 PolarHBondContact O-N 3.47Å
38	N	75.3	Confident	64.4	Low	140 Å²	140	70 Å²	70	75%	0.749	36%	0.358	S	S	*	.	H	α-helix	trans	-55.6	-32.6	175.7	-72	-20.2	0	0	0	111.9	R42	N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.18Å
39	G	69.2	Low	64	Low	37 Å²	37	80.4 Å²	80.4	38%	0.381	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-47.4	172.9	0	0	0	0	0	112.6	S37 R42 A43	S37-G39 PolarHBondContact O-N 2.96Å; S37-G39 VanDerWaalsContact O-N 3.14Å; G39-R42 PolarHBondContact O-N 3.14Å; G39-A43 WeakPolarHBondContact O-CB 3.46Å; G39-A43 PolarHBondContact O-N 2.97Å
40	G	56.3	Low	62.9	Low	12 Å²	12	78.5 Å²	78.5	12%	0.124	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-39.1	177.1	0	0	0	0	0	113	S37 A43 A44	S37-G40 PolarHBondContact O-N 3Å; S37-G40 PolarHBondContact OG-N 3.05Å; S37-G40 VanDerWaalsContact OG-N 3.1Å; G40-A43 PolarHBondContact O-N 2.83Å; G40-A44 WeakPolarHBondContact O-CB 3.23Å; G40-A44 PolarHBondContact O-N 3.4Å
41	I	61.5	Low	62	Low	19 Å²	19	73.8 Å²	73.8	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-47.2	175	-65.3	163.8	0	0	0	110.4	V28 L31 R32 A36 S37 A43 A44 E45	V28-I41 HydrophobicContact CG1-CG2 4.37Å; L31-I41 HydrophobicContact CB-CG1 4.2Å; R32-I41 HydrophobicContact CG-CD1 3.87Å; R32-I41 HydrophobicContact CG-CG1 4.32Å; R32-I41 HydrophobicContact CG-CG2 4.16Å; A36-I41 HydrophobicContact CB-CG1 4.24Å; A36-I41 WeakPolarHBondContact O-CD1 3.36Å; S37-I41 PolarHBondContact O-N 3.47Å; I41-A43 PolarHBondContact O-N 2.61Å; I41-A44 WeakPolarHBondContact O-CB 3.33Å; I41-A44 PolarHBondContact O-N 2.61Å; I41-E45 WeakPolarHBondContact O-CG 3.06Å; I41-E45 PolarHBondContact O-N 2.83Å
42	R	65.7	Low	61.3	Low	157 Å²	157	81.5 Å²	81.5	59%	0.592	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-41.7	178.4	-170.2	-179.5	69	-158.3	-1.9	111.8	N38 G39 A44 E45 E46	N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.18Å; G39-R42 PolarHBondContact O-N 3.14Å; R42-A44 VanDerWaalsContact C-N 3.27Å; R42-A44 PolarHBondContact O-N 3.07Å; R42-E45 PolarHBondContact O-N 3.22Å; R42-E46 HydrophobicContact CG-CG 4.48Å; R42-E46 IonicContact NE-OE1 2.61Å; R42-E46 WeakPolarHBondContact O-CB 3.17Å; R42-E46 WeakPolarHBondContact O-CG 2.99Å; R42-E46 PolarHBondContact O-N 2.93Å
43	A	58.2	Low	60	Low	11 Å²	11	77.6 Å²	77.6	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-60.2	-39.4	175	0	0	0	0	0	111.6	G39 G40 I41 F47 Q191 L194	G39-A43 WeakPolarHBondContact O-CB 3.46Å; G39-A43 PolarHBondContact O-N 2.97Å; G40-A43 PolarHBondContact O-N 2.83Å; I41-A43 PolarHBondContact O-N 2.61Å; A43-F47 WeakPolarHBondContact O-CB 3.27Å; A43-F47 PolarHBondContact O-N 3.15Å; A43-Q191 HydrophobicContact CB-CG 4.49Å; A43-L194 HydrophobicContact CB-CD1 4.03Å
44	A	56.4	Low	58.8	Low	1 Å²	1	77.8 Å²	77.8	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-42.3	174.7	0	0	0	0	0	112.4	V28 L31 G40 I41 R42 F47 I48 L194	V28-A44 HydrophobicContact CG2-CB 3.77Å; L31-A44 HydrophobicContact CD1-CB 3.85Å; G40-A44 WeakPolarHBondContact O-CB 3.23Å; G40-A44 PolarHBondContact O-N 3.4Å; I41-A44 WeakPolarHBondContact O-CB 3.33Å; I41-A44 PolarHBondContact O-N 2.61Å; R42-A44 VanDerWaalsContact C-N 3.27Å; R42-A44 PolarHBondContact O-N 3.07Å; A44-F47 WeakPolarHBondContact O-CB 3.48Å; A44-F47 PolarHBondContact O-N 3.31Å; A44-I48 VanDerWaalsContact O-CG1 3.32Å; A44-I48 WeakPolarHBondContact O-CG1 3.46Å; A44-I48 PolarHBondContact O-N 3.21Å; A44-L194 HydrophobicContact CB-CD1 3.73Å; A44-L194 HydrophobicContact CB-CD2 3.61Å; A44-L194 HydrophobicContact CB-CG 4.22Å
45	E	63	Low	57.7	Low	63 Å²	63	71 Å²	71	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-40.2	176.6	-70.7	173.1	-178.7	0	0	112.9	V28 R32 I41 R42 F47 I48 R49	V28-E45 HydrophobicContact CG1-CG 4.05Å; V28-E45 HydrophobicContact CG2-CG 4.42Å; R32-E45 IonicContact CZ-OE1 2.82Å; R32-E45 IonicContact NE-OE1 3.15Å; R32-E45 IonicContact NH2-OE1 2.84Å; R32-E45 PolarHBondContact NH2-OE1 3.47Å; I41-E45 WeakPolarHBondContact O-CG 3.06Å; I41-E45 PolarHBondContact O-N 2.83Å; R42-E45 PolarHBondContact O-N 3.22Å; E45-F47 VanDerWaalsContact C-N 3.33Å; E45-I48 WeakPolarHBondContact O-CB 3.37Å; E45-I48 PolarHBondContact O-N 2.66Å; E45-R49 PolarHBondContact O-N 3.34Å; E45-R49 VanDerWaalsContact O-N 3.15Å
46	E	60.7	Low	56.2	Low	103 Å²	103	69.8 Å²	69.8	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-40.8	173.5	-77.2	176.8	-178.6	0	0	110.9	R42 I48 R49 G50	R42-E46 HydrophobicContact CG-CG 4.48Å; R42-E46 IonicContact NE-OE1 2.61Å; R42-E46 WeakPolarHBondContact O-CB 3.17Å; R42-E46 WeakPolarHBondContact O-CG 2.99Å; R42-E46 PolarHBondContact O-N 2.93Å; E46-I48 VanDerWaalsContact C-N 3.34Å; E46-I48 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.33Å; E46-R49 VanDerWaalsContact O-N 3.12Å; E46-G50 PolarHBondContact O-N 2.85Å
47	F	52.8	Low	55	Low	13 Å²	13	76.4 Å²	76.4	6%	0.057	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-43.5	172.9	-176.2	-95.7	0	0	0	111.7	A43 A44 E45 R49 G50 V51 I151 L195	A43-F47 WeakPolarHBondContact O-CB 3.27Å; A43-F47 PolarHBondContact O-N 3.15Å; A44-F47 WeakPolarHBondContact O-CB 3.48Å; A44-F47 PolarHBondContact O-N 3.31Å; E45-F47 VanDerWaalsContact C-N 3.33Å; F47-R49 VanDerWaalsContact C-N 3.28Å; F47-R49 PolarHBondContact O-N 2.92Å; F47-G50 PolarHBondContact O-N 3.15Å; F47-G50 VanDerWaalsContact O-N 3.08Å; F47-V51 HydrophobicContact CD1-CG2 4.13Å; F47-V51 HydrophobicContact CD2-CG2 4.07Å; F47-V51 HydrophobicContact CE1-CB 4.26Å; F47-V51 HydrophobicContact CE1-CG2 3.59Å; F47-V51 HydrophobicContact CE2-CG2 3.54Å; F47-V51 HydrophobicContact CG-CG2 4.33Å; F47-V51 HydrophobicContact CZ-CB 4.31Å; F47-V51 HydrophobicContact CZ-CG2 3.24Å; F47-V51 WeakPolarHBondContact O-CG2 3.44Å; F47-V51 PolarHBondContact O-N 2.97Å; F47-I151 HydrophobicContact CE2-CD1 4.17Å; F47-L195 HydrophobicContact CE1-CB 4.06Å; F47-L195 HydrophobicContact CE1-CD1 3.72Å; F47-L195 HydrophobicContact CE1-CG 4.37Å; F47-L195 HydrophobicContact CE2-CB 4.02Å; F47-L195 HydrophobicContact CE2-CD1 4.37Å; F47-L195 HydrophobicContact CE2-CD2 4.09Å; F47-L195 HydrophobicContact CE2-CG 4.35Å; F47-L195 HydrophobicContact CZ-CB 3.55Å; F47-L195 HydrophobicContact CZ-CD1 3.28Å; F47-L195 HydrophobicContact CZ-CD2 3.76Å; F47-L195 HydrophobicContact CZ-CG 3.66Å
48	I	53.7	Low	54	Low	41 Å²	41	79.2 Å²	79.2	21%	0.21	37%	0.374	C	S	.	.	H	α-helix	trans	-54.3	-45.1	172.7	-71.3	170.1	0	0	0	111.3	V24 V28 A44 E45 E46 G50	V24-I48 HydrophobicContact CB-CD1 3.89Å; V24-I48 HydrophobicContact CB-CG1 3.61Å; V24-I48 HydrophobicContact CG1-CD1 3.6Å; V24-I48 HydrophobicContact CG1-CG1 3.18Å; V24-I48 HydrophobicContact CG2-CG1 4.28Å; V28-I48 HydrophobicContact CB-CD1 4.44Å; V28-I48 HydrophobicContact CG2-CD1 3.5Å; A44-I48 VanDerWaalsContact O-CG1 3.32Å; A44-I48 WeakPolarHBondContact O-CG1 3.46Å; A44-I48 PolarHBondContact O-N 3.21Å; E45-I48 WeakPolarHBondContact O-CB 3.37Å; E45-I48 PolarHBondContact O-N 2.66Å; E46-I48 VanDerWaalsContact C-N 3.34Å; E46-I48 PolarHBondContact O-N 3.31Å; I48-G50 VanDerWaalsContact C-N 3.27Å; I48-G50 PolarHBondContact O-N 3.02Å
49	R	53.2	Low	53	Low	220 Å²	220	81.6 Å²	81.6	83%	0.83	37%	0.372	S	S	*	.	H	α-helix	trans	-67.5	-30.5	-179	-68.5	-179.7	-178.5	-171.9	2	112.1	E45 E46 F47	E45-R49 PolarHBondContact O-N 3.34Å; E45-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 PolarHBondContact O-N 3.33Å; E46-R49 VanDerWaalsContact O-N 3.12Å; F47-R49 VanDerWaalsContact C-N 3.28Å; F47-R49 PolarHBondContact O-N 2.92Å
50	G	48.7	Very low	52.5	Low	35 Å²	35	82.1 Å²	82.1	36%	0.361	37%	0.37	S	S	.	.	H	α-helix	trans	-82	-27.5	-179.9	0	0	0	0	0	114.9	E46 F47 I48	E46-G50 PolarHBondContact O-N 2.85Å; F47-G50 PolarHBondContact O-N 3.15Å; F47-G50 VanDerWaalsContact O-N 3.08Å; I48-G50 VanDerWaalsContact C-N 3.27Å; I48-G50 PolarHBondContact O-N 3.02Å
51	V	43.7	Very low	52.9	Low	8 Å²	8	83 Å²	83	5%	0.048	38%	0.375	C	S	.	.			trans	-100.8	117.1	-175.6	-177	0	0	0	0	111.6	F47 F53	F47-V51 HydrophobicContact CD1-CG2 4.13Å; F47-V51 HydrophobicContact CD2-CG2 4.07Å; F47-V51 HydrophobicContact CE1-CB 4.26Å; F47-V51 HydrophobicContact CE1-CG2 3.59Å; F47-V51 HydrophobicContact CE2-CG2 3.54Å; F47-V51 HydrophobicContact CG-CG2 4.33Å; F47-V51 HydrophobicContact CZ-CB 4.31Å; F47-V51 HydrophobicContact CZ-CG2 3.24Å; F47-V51 WeakPolarHBondContact O-CG2 3.44Å; F47-V51 PolarHBondContact O-N 2.97Å; V51-F53 HydrophobicContact CB-CE2 3.88Å; V51-F53 HydrophobicContact CB-CZ 3.94Å; V51-F53 HydrophobicContact CG1-CD1 4.28Å; V51-F53 HydrophobicContact CG1-CD2 4.1Å; V51-F53 HydrophobicContact CG1-CE1 3.67Å; V51-F53 HydrophobicContact CG1-CE2 3.53Å; V51-F53 HydrophobicContact CG1-CG 4.43Å; V51-F53 HydrophobicContact CG1-CZ 3.29Å
52	R	45.9	Very low	52.9	Low	192 Å²	192	87 Å²	87	73%	0.725	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-96	107.4	171.7	-67.7	-170.6	-173.7	-173.3	3.5	109.1	Q54 K146	R52-Q54 PolarHBondContact O-N 3.42Å; R52-K146 HydrophobicContact CB-CB 4.23Å; R52-K146 PolarHBondContact N-O 3.39Å; R52-K146 VanDerWaalsContact O-CB 3.23Å; R52-K146 WeakPolarHBondContact O-CB 3.32Å; R52-K146 PolarHBondContact O-N 3.34Å; R52-K146 VanDerWaalsContact O-N 3.07Å
53	F	43.2	Very low	52.9	Low	20 Å²	20	85.7 Å²	85.7	9%	0.088	40%	0.398	C	S	.	.			trans	-75.7	108.6	173.8	-61.7	-83.4	0	0	0	109.1	V24 V51 F145 F198	V24-F53 HydrophobicContact CG2-CD2 4.27Å; V24-F53 HydrophobicContact CG2-CE2 3.41Å; V24-F53 VanDerWaalsContact CG2-CE2 3.41Å; V24-F53 HydrophobicContact CG2-CZ 3.66Å; V51-F53 HydrophobicContact CB-CE2 3.88Å; V51-F53 HydrophobicContact CB-CZ 3.94Å; V51-F53 HydrophobicContact CG1-CD1 4.28Å; V51-F53 HydrophobicContact CG1-CD2 4.1Å; V51-F53 HydrophobicContact CG1-CE1 3.67Å; V51-F53 HydrophobicContact CG1-CE2 3.53Å; V51-F53 HydrophobicContact CG1-CG 4.43Å; V51-F53 HydrophobicContact CG1-CZ 3.29Å; F53-F145 AromaticContact CD1-CD1 3.31Å; F53-F145 HydrophobicContact CD1-CD1 3.31Å; F53-F145 AromaticContact CD1-CE1 3.54Å; F53-F145 HydrophobicContact CD1-CE1 3.54Å; F53-F145 AromaticContact CE1-CD1 3.51Å; F53-F145 HydrophobicContact CE1-CD1 3.51Å; F53-F145 AromaticContact CE1-CE1 3.7Å; F53-F145 HydrophobicContact CE1-CE1 3.7Å; F53-F198 AromaticContact CD1-CE1 3.81Å; F53-F198 HydrophobicContact CD1-CE1 3.81Å; F53-F198 AromaticContact CD1-CZ 3.96Å; F53-F198 HydrophobicContact CD1-CZ 3.96Å; F53-F198 AromaticContact CE1-CD1 3.83Å; F53-F198 HydrophobicContact CE1-CD1 3.83Å; F53-F198 AromaticContact CE1-CE1 3.05Å; F53-F198 HydrophobicContact CE1-CE1 3.05Å; F53-F198 AromaticContact CE1-CZ 3.52Å; F53-F198 HydrophobicContact CE1-CZ 3.52Å; F53-F198 HydrophobicContact CE2-CZ 4.37Å; F53-F198 AromaticContact CZ-CD1 3.95Å; F53-F198 HydrophobicContact CZ-CD1 3.95Å; F53-F198 AromaticContact CZ-CE1 3.46Å; F53-F198 HydrophobicContact CZ-CE1 3.46Å; F53-F198 VanDerWaalsContact CZ-CE1 3.46Å; F53-F198 HydrophobicContact CZ-CE2 4.45Å; F53-F198 AromaticContact CZ-CZ 3.71Å; F53-F198 HydrophobicContact CZ-CZ 3.71Å
54	Q	42.4	Very low	53.3	Low	95 Å²	95	88.3 Å²	88.3	44%	0.444	41%	0.41	S	S	.	.			trans	-110	95.1	171.4	-163.5	173.3	8.3	0	0	107.9	R52 Y56	R52-Q54 PolarHBondContact O-N 3.42Å; Q54-Y56 HydrophobicContact CB-CD2 4.38Å; Q54-Y56 HydrophobicContact CB-CE2 4.32Å; Q54-Y56 HydrophobicContact CG-CD2 3.86Å; Q54-Y56 HydrophobicContact CG-CE2 3.54Å; Q54-Y56 PolarHBondContact NE2-OH 2.61Å; Q54-Y56 VanDerWaalsContact NE2-OH 3.07Å; Q54-Y56 PolarHBondContact O-N 3.01Å
55	D	45	Very low	54.4	Low	65 Å²	65	90.7 Å²	90.7	35%	0.348	42%	0.422	S	S	.	.			trans	-69.9	100.9	179.2	-60.8	-13.4	0	0	0	107.8	R202	D55-R202 IonicContact OD1-CZ 3.92Å; D55-R202 IonicContact OD1-NH1 2.61Å; D55-R202 PolarHBondContact OD1-NH1 2.81Å; D55-R202 IonicContact OD1-NH2 3.76Å; D55-R202 PolarHBondContact OD1-NH2 2.96Å; D55-R202 IonicContact OD2-CZ 2.92Å; D55-R202 IonicContact OD2-NH1 3.54Å; D55-R202 IonicContact OD2-NH2 2.66Å; D55-R202 PolarHBondContact OD2-NH2 2.81Å
56	Y	42.8	Very low	55.4	Low	125 Å²	125	91.4 Å²	91.4	49%	0.49	43%	0.425	S	S	.	.			trans	-90.9	149.1	171.9	-89.5	-81.4	0	0	0	110.6	Q54 E58 K144	Q54-Y56 HydrophobicContact CB-CD2 4.38Å; Q54-Y56 HydrophobicContact CB-CE2 4.32Å; Q54-Y56 HydrophobicContact CG-CD2 3.86Å; Q54-Y56 HydrophobicContact CG-CE2 3.54Å; Q54-Y56 PolarHBondContact NE2-OH 2.61Å; Q54-Y56 VanDerWaalsContact NE2-OH 3.07Å; Q54-Y56 PolarHBondContact O-N 3.01Å; Y56-E58 PolarHBondContact O-N 3.17Å; Y56-K144 HydrophobicContact CD2-CD 3.75Å; Y56-K144 HydrophobicContact CD2-CG 4.31Å; Y56-K144 HydrophobicContact CE2-CD 4.32Å; Y56-K144 HydrophobicContact CG-CD 4.43Å
57	E	44	Very low	56.6	Low	171 Å²	171	86.9 Å²	86.9	80%	0.799	40%	0.404	S	S	*	.			trans	-27.4	118.9	-173.2	-72.2	-179.6	151.1	0	0	115.1	R59	E57-R59 PolarHBondContact O-N 3.11Å
58	E	52.2	Low	58.4	Low	135 Å²	135	88.8 Å²	88.8	63%	0.631	42%	0.417	S	S	*	.			trans	-58.9	104.8	-177.2	-62.6	-176.9	160.3	0	0	111.2	Y56 K206	Y56-E58 PolarHBondContact O-N 3.17Å; E58-K206 VanDerWaalsContact CD-CE 3.41Å; E58-K206 WeakPolarHBondContact OE1-CE 3.23Å; E58-K206 IonicContact OE1-NZ 2.94Å; E58-K206 PolarHBondContact OE1-NZ 2.93Å; E58-K206 IonicContact OE2-NZ 2.88Å; E58-K206 PolarHBondContact OE2-NZ 3.18Å
59	R	54.1	Low	60	Low	191 Å²	191	88.7 Å²	88.7	72%	0.721	42%	0.418	S	S	*	.			trans	-100.1	72.8	157.8	-66.2	-171.6	-175.8	-177.8	2.2	108.2	E57 H142	E57-R59 PolarHBondContact O-N 3.11Å; R59-H142 HydrophobicContact CB-CB 4.45Å
60	S	59.6	Low	61.7	Low	47 Å²	47	85.1 Å²	85.1	33%	0.329	42%	0.416	S	S	.	.			trans	-76.3	136.2	164.5	-67.3	0	0	0	0	108.8	R140 H141 D210	S60-R140 CarbonylContact C-O 3.58Å; S60-R140 WeakPolarHBondContact CA-O 3.42Å; S60-H141 PolarHBondContact OG-ND1 3.37Å; S60-D210 WeakPolarHBondContact CB-OD2 3.38Å; S60-D210 PolarHBondContact OG-OD2 3.45Å
61	S	63.6	Low	63.7	Low	32 Å²	32	88.5 Å²	88.5	22%	0.224	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.9	169.2	60.6	0	0	0	0	109.4	R140	S61-R140 PolarHBondContact N-O 2.96Å; S61-R140 PolarHBondContact O-N 3.42Å; S61-R140 PolarHBondContact OG-NE 2.83Å; S61-R140 VanDerWaalsContact OG-NE 3.14Å; S61-R140 PolarHBondContact OG-NH2 3.26Å
62	C	62.9	Low	65.8	Low	101 Å²	101	88.9 Å²	88.9	68%	0.682	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.3	169.4	57.9	0	0	0	0	110.1	L138	C62-L138 CarbonylContact C-O 3.53Å; C62-L138 VanDerWaalsContact CA-O 3.24Å; C62-L138 WeakPolarHBondContact CA-O 3.43Å
63	R	65	Low	68	Low	131 Å²	131	83.7 Å²	83.7	49%	0.494	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.3	168.7	-69.7	-174.6	179	180	0.3	108.1	L138	R63-L138 HydrophobicContact CB-CB 4.31Å; R63-L138 PolarHBondContact N-O 2.85Å; R63-L138 PolarHBondContact O-N 3.4Å
64	L	67	Low	70.3	Confident	65 Å²	65	88.9 Å²	88.9	34%	0.34	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.4	172	-164.6	114.2	0	0	0	110.1	F136 F225	L64-F136 CarbonylContact C-O 3.58Å; L64-F136 WeakPolarHBondContact CA-O 3.45Å; L64-F225 HydrophobicContact CD1-CB 4.13Å; L64-F225 HydrophobicContact CD2-CB 3.19Å; L64-F225 HydrophobicContact CD2-CD1 3.28Å; L64-F225 HydrophobicContact CD2-CD2 3.02Å; L64-F225 HydrophobicContact CD2-CE1 3.72Å; L64-F225 HydrophobicContact CD2-CE2 3.52Å; L64-F225 HydrophobicContact CD2-CG 2.9Å; L64-F225 HydrophobicContact CD2-CZ 3.84Å; L64-F225 HydrophobicContact CG-CB 4.29Å; L64-F225 HydrophobicContact CG-CD2 4.43Å; L64-F225 HydrophobicContact CG-CG 4.31Å
65	M	78.6	Confident	72.5	Confident	52 Å²	52	86.2 Å²	86.2	26%	0.256	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151	-178.1	-55.5	-179.5	-68.4	0	0	109	F67 F79 F136	M65-F67 HydrophobicContact CB-CD1 4.49Å; M65-F79 HydrophobicContact CE-CB 4.3Å; M65-F79 HydrophobicContact CE-CD2 3.44Å; M65-F79 VanDerWaalsContact CE-CD2 3.44Å; M65-F79 HydrophobicContact CE-CE2 4Å; M65-F79 HydrophobicContact CE-CG 3.97Å; M65-F79 HydrophobicContact SD-CD2 4.27Å; M65-F136 HydrophobicContact CB-CB 4.28Å; M65-F136 HydrophobicContact CE-CB 4.29Å; M65-F136 HydrophobicContact CE-CD1 3.24Å; M65-F136 HydrophobicContact CE-CD2 4.32Å; M65-F136 HydrophobicContact CE-CE1 3.52Å; M65-F136 HydrophobicContact CE-CG 3.71Å; M65-F136 HydrophobicContact CE-CZ 4.24Å; M65-F136 PolarHBondContact N-O 2.97Å; M65-F136 PolarHBondContact O-N 2.82Å
66	Q	84.4	Confident	74.7	Confident	78 Å²	78	83.2 Å²	83.2	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	166.1	63	173.3	0.1	0	0	109.1	I134 F135 F225	Q66-I134 WeakPolarHBondContact CA-O 3.47Å; Q66-F135 HydrophobicContact CB-CD1 4.12Å; Q66-F135 HydrophobicContact CB-CE1 4.18Å; Q66-F225 HydrophobicContact CG-CE1 4.44Å
67	F	86.3	Confident	77	Confident	8 Å²	8	81.9 Å²	81.9	4%	0.035	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.9	178.7	45.9	-92.3	0	0	0	111.5	M65 V75 I76 K133 I134 F136	M65-F67 HydrophobicContact CB-CD1 4.49Å; F67-V75 HydrophobicContact CB-CB 4.38Å; F67-V75 HydrophobicContact CB-CG1 4.37Å; F67-V75 HydrophobicContact CB-CG2 3.84Å; F67-V75 HydrophobicContact CD1-CB 4.08Å; F67-V75 HydrophobicContact CD1-CG1 3.46Å; F67-V75 VanDerWaalsContact CD1-CG1 3.46Å; F67-V75 HydrophobicContact CD1-CG2 4.43Å; F67-V75 HydrophobicContact CD2-CB 4.3Å; F67-V75 HydrophobicContact CD2-CG2 4.48Å; F67-V75 HydrophobicContact CE1-CB 4.4Å; F67-V75 HydrophobicContact CE1-CG1 3.75Å; F67-V75 HydrophobicContact CG-CB 4Å; F67-V75 HydrophobicContact CG-CG1 3.9Å; F67-V75 HydrophobicContact CG-CG2 4.02Å; F67-V75 HydrophobicContact CZ-CG1 4.43Å; F67-I76 HydrophobicContact CZ-CG1 4.39Å; F67-K133 CarbonylContact O-C 3.54Å; F67-K133 WeakPolarHBondContact O-CA 3.36Å; F67-I134 HydrophobicContact CD2-CB 4.07Å; F67-I134 HydrophobicContact CE2-CB 3.65Å; F67-I134 HydrophobicContact CE2-CD1 4.16Å; F67-I134 HydrophobicContact CE2-CG1 4.42Å; F67-I134 HydrophobicContact CE2-CG2 3.83Å; F67-I134 HydrophobicContact CZ-CB 4.11Å; F67-I134 HydrophobicContact CZ-CG2 3.81Å; F67-I134 PolarHBondContact N-O 3.08Å; F67-I134 PolarHBondContact O-N 2.99Å; F67-F136 HydrophobicContact CE1-CB 3.66Å; F67-F136 HydrophobicContact CE1-CD2 4.25Å; F67-F136 HydrophobicContact CE1-CG 4.26Å; F67-F136 HydrophobicContact CZ-CB 4.21Å; F67-F136 HydrophobicContact CZ-CD2 4.3Å
68	P	89.9	Confident	79.2	Confident	52 Å²	52	82.4 Å²	82.4	34%	0.338	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	140.7	171.9	-26.6	37.3	0	0	0	112	N70 K71 S72 E132	P68-N70 WeakPolarHBondContact CB-OD1 3.41Å; P68-N70 PolarHBondContact O-N 3.07Å; P68-K71 HydrophobicContact CB-CB 4.45Å; P68-K71 HydrophobicContact CB-CG 4.38Å; P68-K71 HydrophobicContact CG-CD 4.48Å; P68-K71 PolarHBondContact O-N 3.45Å; P68-S72 PolarHBondContact O-N 3.29Å; P68-E132 CarbonylContact C-O 3.56Å; P68-E132 WeakPolarHBondContact CA-O 2.75Å
69	T	86.7	Confident	80.9	Confident	39 Å²	39	76.3 Å²	76.3	24%	0.239	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-55.9	-37.1	178.6	-57.4	0	0	0	0	111.7	K71 S72 E132 I134	T69-K71 PolarHBondContact O-N 2.84Å; T69-S72 VanDerWaalsContact O-CB 3.25Å; T69-S72 WeakPolarHBondContact O-CB 3.46Å; T69-S72 PolarHBondContact O-N 2.89Å; T69-S72 PolarHBondContact O-OG 3.47Å; T69-E132 PolarHBondContact N-O 3.19Å; T69-E132 PolarHBondContact OG1-O 2.61Å; T69-I134 HydrophobicContact CG2-CD1 4.24Å
70	N	89.3	Confident	82.4	Confident	145 Å²	145	67.3 Å²	67.3	78%	0.775	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-69.8	-13.5	177.3	68.6	-13.8	0	0	0	114.5	P68	P68-N70 WeakPolarHBondContact CB-OD1 3.41Å; P68-N70 PolarHBondContact O-N 3.07Å
71	K	90.8	Very high	83.8	Confident	107 Å²	107	73.2 Å²	73.2	47%	0.465	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-105.3	4	174.4	-65	-165.5	176.3	-167.1	0	113.4	P68 T69 N73 E74 V75	P68-K71 HydrophobicContact CB-CB 4.45Å; P68-K71 HydrophobicContact CB-CG 4.38Å; P68-K71 HydrophobicContact CG-CD 4.48Å; P68-K71 PolarHBondContact O-N 3.45Å; T69-K71 PolarHBondContact O-N 2.84Å; K71-N73 VanDerWaalsContact C-N 3.35Å; K71-N73 PolarHBondContact O-N 2.79Å; K71-E74 PolarHBondContact O-N 3.48Å; K71-V75 HydrophobicContact CB-CG2 4.45Å; K71-V75 WeakPolarHBondContact O-CG2 3.17Å; K71-V75 PolarHBondContact O-N 3.03Å; K71-V75 VanDerWaalsContact O-N 3.1Å
72	S	89.3	Confident	84.8	Confident	15 Å²	15	76.7 Å²	76.7	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-52.5	-48.1	-174.5	53.2	0	0	0	0	113.5	P68 T69 E74 V75 I76	P68-S72 PolarHBondContact O-N 3.29Å; T69-S72 VanDerWaalsContact O-CB 3.25Å; T69-S72 WeakPolarHBondContact O-CB 3.46Å; T69-S72 PolarHBondContact O-N 2.89Å; T69-S72 PolarHBondContact O-OG 3.47Å; S72-E74 PolarHBondContact O-N 2.8Å; S72-V75 PolarHBondContact O-N 2.79Å; S72-I76 VanDerWaalsContact O-CB 3.32Å; S72-I76 WeakPolarHBondContact O-CB 2.96Å; S72-I76 WeakPolarHBondContact O-CD1 3.3Å; S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 2.83Å
73	N	90.9	Very high	85.6	Confident	84 Å²	84	72.8 Å²	72.8	45%	0.449	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-47.9	179.9	-73.5	-15.7	0	0	0	112.7	K71 V75 I76 E77	K71-N73 VanDerWaalsContact C-N 3.35Å; K71-N73 PolarHBondContact O-N 2.79Å; N73-V75 PolarHBondContact O-N 2.83Å; N73-I76 PolarHBondContact O-N 3.42Å; N73-E77 WeakPolarHBondContact O-CB 3.18Å; N73-E77 VanDerWaalsContact O-CG 3.27Å; N73-E77 WeakPolarHBondContact O-CG 3.23Å; N73-E77 PolarHBondContact O-N 3.33Å
74	E	91.9	Very high	86.5	Confident	129 Å²	129	70.1 Å²	70.1	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-61.6	-45.4	-179.5	-176.2	-168.9	169.5	0	0	111.2	K71 S72 E77 R78	K71-E74 PolarHBondContact O-N 3.48Å; S72-E74 PolarHBondContact O-N 2.8Å; E74-E77 PolarHBondContact O-N 3.42Å; E74-R78 WeakPolarHBondContact O-CB 3.01Å; E74-R78 PolarHBondContact O-N 3.31Å; E74-R78 VanDerWaalsContact O-N 3.07Å
75	V	89.4	Confident	87.3	Confident	39 Å²	39	68 Å²	68	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-67.8	-41.6	-179.3	178.3	0	0	0	0	111.1	F67 K71 S72 N73 R78 F79	F67-V75 HydrophobicContact CB-CB 4.38Å; F67-V75 HydrophobicContact CB-CG1 4.37Å; F67-V75 HydrophobicContact CB-CG2 3.84Å; F67-V75 HydrophobicContact CD1-CB 4.08Å; F67-V75 HydrophobicContact CD1-CG1 3.46Å; F67-V75 VanDerWaalsContact CD1-CG1 3.46Å; F67-V75 HydrophobicContact CD1-CG2 4.43Å; F67-V75 HydrophobicContact CD2-CB 4.3Å; F67-V75 HydrophobicContact CD2-CG2 4.48Å; F67-V75 HydrophobicContact CE1-CB 4.4Å; F67-V75 HydrophobicContact CE1-CG1 3.75Å; F67-V75 HydrophobicContact CG-CB 4Å; F67-V75 HydrophobicContact CG-CG1 3.9Å; F67-V75 HydrophobicContact CG-CG2 4.02Å; F67-V75 HydrophobicContact CZ-CG1 4.43Å; K71-V75 HydrophobicContact CB-CG2 4.45Å; K71-V75 WeakPolarHBondContact O-CG2 3.17Å; K71-V75 PolarHBondContact O-N 3.03Å; K71-V75 VanDerWaalsContact O-N 3.1Å; S72-V75 PolarHBondContact O-N 2.79Å; N73-V75 PolarHBondContact O-N 2.83Å; V75-R78 PolarHBondContact O-N 3.16Å; V75-F79 VanDerWaalsContact O-CB 3.26Å; V75-F79 WeakPolarHBondContact O-CB 3.43Å; V75-F79 PolarHBondContact O-N 3.2Å
76	I	89.3	Confident	87.5	Confident	1 Å²	1	68 Å²	68	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-64.7	-44.4	177.3	-71.7	166.9	0	0	0	111	F67 S72 N73 R78 F79 C80 T90 L93 K94 A97	F67-I76 HydrophobicContact CZ-CG1 4.39Å; S72-I76 VanDerWaalsContact O-CB 3.32Å; S72-I76 WeakPolarHBondContact O-CB 2.96Å; S72-I76 WeakPolarHBondContact O-CD1 3.3Å; S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 2.83Å; N73-I76 PolarHBondContact O-N 3.42Å; I76-R78 PolarHBondContact O-N 3.08Å; I76-F79 PolarHBondContact O-N 2.92Å; I76-C80 WeakPolarHBondContact O-CB 3.36Å; I76-C80 PolarHBondContact O-N 2.88Å; I76-C80 PolarHBondContact O-SG 3.03Å; I76-T90 HydrophobicContact CG2-CG2 4.37Å; I76-L93 HydrophobicContact CD1-CG 4.31Å; I76-L93 HydrophobicContact CG1-CD2 4.33Å; I76-L93 HydrophobicContact CG1-CG 4.32Å; I76-L93 HydrophobicContact CG2-CB 3.99Å; I76-L93 HydrophobicContact CG2-CD2 3.68Å; I76-L93 HydrophobicContact CG2-CG 3.84Å; I76-K94 HydrophobicContact CB-CG 4.3Å; I76-K94 HydrophobicContact CD1-CG 4.43Å; I76-K94 HydrophobicContact CG2-CG 3.81Å; I76-A97 HydrophobicContact CD1-CB 3.52Å
77	E	91.5	Very high	87.4	Confident	98 Å²	98	71.6 Å²	71.6	46%	0.458	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-47.8	176.6	-77.1	173.9	-177.3	0	0	111.9	N73 E74 F79 C80 K81 T90 K94	N73-E77 WeakPolarHBondContact O-CB 3.18Å; N73-E77 VanDerWaalsContact O-CG 3.27Å; N73-E77 WeakPolarHBondContact O-CG 3.23Å; N73-E77 PolarHBondContact O-N 3.33Å; E74-E77 PolarHBondContact O-N 3.42Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 2.78Å; E77-C80 PolarHBondContact O-N 3.47Å; E77-K81 VanDerWaalsContact O-CB 3.32Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 2.87Å; E77-T90 HydrophobicContact CG-CG2 4.17Å; E77-K94 WeakPolarHBondContact OE1-CE 3.24Å; E77-K94 IonicContact OE1-NZ 3.35Å; E77-K94 PolarHBondContact OE1-NZ 3.32Å
78	R	90.1	Very high	87	Confident	181 Å²	181	75 Å²	75	68%	0.683	37%	0.374	S	S	*	.	H	α-helix	trans	-61.1	-45.9	177.5	-176.6	176.3	178.6	172.4	1	111.2	E74 V75 I76 C80 K81 D82	E74-R78 WeakPolarHBondContact O-CB 3.01Å; E74-R78 PolarHBondContact O-N 3.31Å; E74-R78 VanDerWaalsContact O-N 3.07Å; V75-R78 PolarHBondContact O-N 3.16Å; I76-R78 PolarHBondContact O-N 3.08Å; R78-C80 PolarHBondContact O-N 3.2Å; R78-K81 PolarHBondContact O-N 2.86Å; R78-D82 WeakPolarHBondContact O-CB 3.28Å; R78-D82 PolarHBondContact O-N 3.37Å
79	F	87.9	Confident	86.5	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.035	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-47.5	177.6	170.8	-94.6	0	0	0	112.3	M65 V75 I76 E77 D82 N83 W85 L93 F136 L138	M65-F79 HydrophobicContact CE-CB 4.3Å; M65-F79 HydrophobicContact CE-CD2 3.44Å; M65-F79 VanDerWaalsContact CE-CD2 3.44Å; M65-F79 HydrophobicContact CE-CE2 4Å; M65-F79 HydrophobicContact CE-CG 3.97Å; M65-F79 HydrophobicContact SD-CD2 4.27Å; V75-F79 VanDerWaalsContact O-CB 3.26Å; V75-F79 WeakPolarHBondContact O-CB 3.43Å; V75-F79 PolarHBondContact O-N 3.2Å; I76-F79 PolarHBondContact O-N 2.92Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 2.78Å; F79-D82 PolarHBondContact O-N 3Å; F79-N83 VanDerWaalsContact CE2-ND2 3.29Å; F79-N83 WeakPolarHBondContact CE2-ND2 3.44Å; F79-N83 PolarHBondContact O-N 3.12Å; F79-N83 PolarHBondContact O-ND2 3.05Å; F79-W85 HydrophobicContact CD1-CZ3 4.48Å; F79-W85 HydrophobicContact CE1-CE3 4.27Å; F79-W85 AromaticContact CE1-CH2 3.46Å; F79-W85 HydrophobicContact CE1-CH2 3.46Å; F79-W85 VanDerWaalsContact CE1-CH2 3.46Å; F79-W85 AromaticContact CE1-CZ2 3.86Å; F79-W85 HydrophobicContact CE1-CZ2 3.86Å; F79-W85 AromaticContact CE1-CZ3 3.7Å; F79-W85 HydrophobicContact CE1-CZ3 3.7Å; F79-W85 AromaticContact CZ-CH2 3.98Å; F79-W85 HydrophobicContact CZ-CH2 3.98Å; F79-W85 HydrophobicContact CZ-CZ2 4.1Å; F79-L93 HydrophobicContact CD1-CD2 4.12Å; F79-L93 HydrophobicContact CE1-CD2 4.32Å; F79-F136 HydrophobicContact CD1-CE1 4.45Å; F79-F136 HydrophobicContact CD1-CE2 4.47Å; F79-F136 AromaticContact CD1-CZ 3.84Å; F79-F136 HydrophobicContact CD1-CZ 3.84Å; F79-F136 HydrophobicContact CD2-CE1 4.26Å; F79-F136 HydrophobicContact CD2-CZ 4.43Å; F79-F136 HydrophobicContact CE1-CE1 4.07Å; F79-F136 HydrophobicContact CE1-CE2 4.47Å; F79-F136 AromaticContact CE1-CZ 3.52Å; F79-F136 HydrophobicContact CE1-CZ 3.52Å; F79-F136 AromaticContact CE2-CE1 3.84Å; F79-F136 HydrophobicContact CE2-CE1 3.84Å; F79-F136 HydrophobicContact CE2-CZ 4.13Å; F79-F136 HydrophobicContact CG-CZ 4.29Å; F79-F136 AromaticContact CZ-CE1 3.75Å; F79-F136 HydrophobicContact CZ-CE1 3.75Å; F79-F136 AromaticContact CZ-CZ 3.69Å; F79-F136 HydrophobicContact CZ-CZ 3.69Å; F79-L138 HydrophobicContact CE2-CD2 3.78Å; F79-L138 HydrophobicContact CZ-CD1 3.89Å; F79-L138 HydrophobicContact CZ-CD2 3.69Å; F79-L138 HydrophobicContact CZ-CG 4.24Å
80	C	87.2	Confident	86.4	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-41	179.1	-71.7	0	0	0	0	111.5	I76 E77 R78 N83 A84 W85 T90	I76-C80 WeakPolarHBondContact O-CB 3.36Å; I76-C80 PolarHBondContact O-N 2.88Å; I76-C80 PolarHBondContact O-SG 3.03Å; E77-C80 PolarHBondContact O-N 3.47Å; R78-C80 PolarHBondContact O-N 3.2Å; C80-N83 CarbonylContact O-C 3.5Å; C80-N83 PolarHBondContact O-N 2.9Å; C80-A84 PolarHBondContact O-N 2.97Å; C80-A84 VanDerWaalsContact O-N 3.09Å; C80-W85 HydrophobicContact CB-CB 4.02Å; C80-W85 PolarHBondContact O-N 3.21Å; C80-T90 HydrophobicContact CB-CG2 4.17Å; C80-T90 VanDerWaalsContact CB-OG1 3.24Å; C80-T90 WeakPolarHBondContact CB-OG1 3.45Å
81	K	87.7	Confident	86.2	Confident	172 Å²	172	68.3 Å²	68.3	75%	0.748	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-47.4	174	-176.5	-180	179.1	179.6	0	111.9	E77 R78 N83 A84	E77-K81 VanDerWaalsContact O-CB 3.32Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 2.87Å; R78-K81 PolarHBondContact O-N 2.86Å; K81-N83 PolarHBondContact O-N 2.95Å; K81-A84 PolarHBondContact O-N 2.95Å; K81-A84 VanDerWaalsContact O-N 3.07Å
82	D	84.3	Confident	85.7	Confident	104 Å²	104	65.9 Å²	65.9	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-22.1	-179.3	-70.5	-11	0	0	0	112.7	R78 F79	R78-D82 WeakPolarHBondContact O-CB 3.28Å; R78-D82 PolarHBondContact O-N 3.37Å; F79-D82 PolarHBondContact O-N 3Å
83	N	81	Confident	85.4	Confident	20 Å²	20	65.4 Å²	65.4	11%	0.107	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.4	176.4	-68.1	-88.1	0	0	0	114	F79 C80 K81 W85 Q113	F79-N83 VanDerWaalsContact CE2-ND2 3.29Å; F79-N83 WeakPolarHBondContact CE2-ND2 3.44Å; F79-N83 PolarHBondContact O-N 3.12Å; F79-N83 PolarHBondContact O-ND2 3.05Å; C80-N83 CarbonylContact O-C 3.5Å; C80-N83 PolarHBondContact O-N 2.9Å; K81-N83 PolarHBondContact O-N 2.95Å; N83-W85 HydrophobicContact CB-CD2 4.5Å; N83-W85 HydrophobicContact CB-CG 4.28Å; N83-W85 PolarHBondContact O-N 3.31Å; N83-Q113 PolarHBondContact O-NE2 2.92Å
84	A	83.8	Confident	85.2	Confident	74 Å²	74	63.3 Å²	63.3	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	45.3	-176.8	0	0	0	0	0	113.5	C80 K81	C80-A84 PolarHBondContact O-N 2.97Å; C80-A84 VanDerWaalsContact O-N 3.09Å; K81-A84 PolarHBondContact O-N 2.95Å; K81-A84 VanDerWaalsContact O-N 3.07Å
85	W	83.9	Confident	84.8	Confident	21 Å²	21	63.3 Å²	63.3	8%	0.08	31%	0.309	C	S	.	.			trans	-87.9	149.5	174.8	-64.1	8.7	0	0	0	110.5	F79 C80 N83 L93 R111 H123 I125 L138	F79-W85 HydrophobicContact CD1-CZ3 4.48Å; F79-W85 HydrophobicContact CE1-CE3 4.27Å; F79-W85 AromaticContact CE1-CH2 3.46Å; F79-W85 HydrophobicContact CE1-CH2 3.46Å; F79-W85 VanDerWaalsContact CE1-CH2 3.46Å; F79-W85 AromaticContact CE1-CZ2 3.86Å; F79-W85 HydrophobicContact CE1-CZ2 3.86Å; F79-W85 AromaticContact CE1-CZ3 3.7Å; F79-W85 HydrophobicContact CE1-CZ3 3.7Å; F79-W85 AromaticContact CZ-CH2 3.98Å; F79-W85 HydrophobicContact CZ-CH2 3.98Å; F79-W85 HydrophobicContact CZ-CZ2 4.1Å; C80-W85 HydrophobicContact CB-CB 4.02Å; C80-W85 PolarHBondContact O-N 3.21Å; N83-W85 HydrophobicContact CB-CD2 4.5Å; N83-W85 HydrophobicContact CB-CG 4.28Å; N83-W85 PolarHBondContact O-N 3.31Å; W85-L93 HydrophobicContact CZ3-CD2 4.11Å; W85-R111 VanDerWaalsContact CG-CZ 3.43Å; W85-H123 HydrophobicContact CH2-CB 4.37Å; W85-H123 HydrophobicContact CZ2-CB 4.02Å; W85-H123 AromaticContact CZ2-CE1 3.97Å; W85-H123 AromaticContact CZ2-CG 3.73Å; W85-H123 AromaticContact CZ2-ND1 3.54Å; W85-H123 AromaticContact NE1-CE1 3.77Å; W85-H123 AromaticContact NE1-NE2 3.98Å; W85-I125 HydrophobicContact CH2-CD1 3.3Å; W85-I125 HydrophobicContact CH2-CG1 3.95Å; W85-I125 HydrophobicContact CZ2-CD1 4.49Å; W85-I125 HydrophobicContact CZ3-CD1 3.56Å; W85-L138 HydrophobicContact CH2-CD1 4.42Å; W85-L138 HydrophobicContact CZ2-CD1 4.48Å
86	D	81.1	Confident	84.5	Confident	52 Å²	52	61.7 Å²	61.7	28%	0.278	30%	0.299	S	S	.	.			trans	-74.2	168.1	176.3	54.9	33.3	0	0	0	113	E88 S89 T90 S158	D86-E88 VanDerWaalsContact C-N 3.29Å; D86-E88 PolarHBondContact O-N 2.96Å; D86-S89 PolarHBondContact O-N 2.87Å; D86-S89 WeakPolarHBondContact OD1-CB 3.34Å; D86-S89 PolarHBondContact OD1-N 3.49Å; D86-S89 PolarHBondContact OD1-OG 3.14Å; D86-T90 PolarHBondContact O-N 3.45Å; D86-T90 PolarHBondContact O-OG1 3.09Å; D86-S158 PolarHBondContact OD1-OG 3.41Å; D86-S158 WeakPolarHBondContact OD2-CB 3.32Å; D86-S158 PolarHBondContact OD2-OG 3.31Å
87	E	83.8	Confident	84.2	Confident	153 Å²	153	61.8 Å²	61.8	72%	0.715	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-37	180	-172.4	178.3	-178.8	0	0	111.9	T90 N91	E87-T90 WeakPolarHBondContact O-CB 3.42Å; E87-T90 PolarHBondContact O-N 2.78Å; E87-N91 WeakPolarHBondContact O-CB 3.38Å; E87-N91 VanDerWaalsContact O-CG 3.25Å; E87-N91 PolarHBondContact O-N 3.38Å; E87-N91 PolarHBondContact O-ND2 3.04Å
88	E	78.1	Confident	83.8	Confident	79 Å²	79	60.7 Å²	60.7	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-47.6	177	-169.6	175.2	-170.7	0	0	111	D86 T90 N91 D92 R167	D86-E88 VanDerWaalsContact C-N 3.29Å; D86-E88 PolarHBondContact O-N 2.96Å; E88-T90 VanDerWaalsContact C-N 3.28Å; E88-T90 PolarHBondContact O-N 2.89Å; E88-N91 PolarHBondContact O-N 3.28Å; E88-D92 PolarHBondContact O-N 2.82Å; E88-R167 IonicContact OE1-CZ 2.82Å; E88-R167 IonicContact OE1-NE 3.99Å; E88-R167 PolarHBondContact OE1-NE 2.87Å; E88-R167 IonicContact OE1-NH1 3.67Å; E88-R167 IonicContact OE1-NH2 3.68Å; E88-R167 PolarHBondContact OE1-NH2 2.85Å; E88-R167 IonicContact OE2-CZ 2.81Å; E88-R167 IonicContact OE2-NE 2.98Å; E88-R167 IonicContact OE2-NH2 3.8Å
89	S	78.1	Confident	83.4	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-37.5	174.8	-59.3	0	0	0	0	112.4	D86 N91 L93 R111 S158	D86-S89 PolarHBondContact O-N 2.87Å; D86-S89 WeakPolarHBondContact OD1-CB 3.34Å; D86-S89 PolarHBondContact OD1-N 3.49Å; D86-S89 PolarHBondContact OD1-OG 3.14Å; S89-N91 VanDerWaalsContact C-N 3.35Å; S89-L93 WeakPolarHBondContact O-CB 3.4Å; S89-L93 PolarHBondContact O-N 3.36Å; S89-R111 PolarHBondContact OG-NE 2.7Å; S89-S158 WeakPolarHBondContact OG-CB 3.25Å; S89-S158 PolarHBondContact OG-OG 3.23Å
90	T	84.7	Confident	83.1	Confident	16 Å²	16	55 Å²	55	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-43.6	177.1	-54.9	0	0	0	0	110.5	I76 E77 C80 D86 E87 E88 L93 K94	I76-T90 HydrophobicContact CG2-CG2 4.37Å; E77-T90 HydrophobicContact CG-CG2 4.17Å; C80-T90 HydrophobicContact CB-CG2 4.17Å; C80-T90 VanDerWaalsContact CB-OG1 3.24Å; C80-T90 WeakPolarHBondContact CB-OG1 3.45Å; D86-T90 PolarHBondContact O-N 3.45Å; D86-T90 PolarHBondContact O-OG1 3.09Å; E87-T90 WeakPolarHBondContact O-CB 3.42Å; E87-T90 PolarHBondContact O-N 2.78Å; E88-T90 VanDerWaalsContact C-N 3.28Å; E88-T90 PolarHBondContact O-N 2.89Å; T90-L93 PolarHBondContact O-N 2.97Å; T90-K94 HydrophobicContact CG2-CD 4.37Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.49Å; T90-K94 PolarHBondContact O-N 3.26Å
91	N	85.1	Confident	82.7	Confident	75 Å²	75	60 Å²	60	40%	0.401	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-41.9	178.4	-71	-24.3	0	0	0	112.2	E87 E88 S89 L93 K94 F95	E87-N91 WeakPolarHBondContact O-CB 3.38Å; E87-N91 VanDerWaalsContact O-CG 3.25Å; E87-N91 PolarHBondContact O-N 3.38Å; E87-N91 PolarHBondContact O-ND2 3.04Å; E88-N91 PolarHBondContact O-N 3.28Å; S89-N91 VanDerWaalsContact C-N 3.35Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.26Å; N91-K94 PolarHBondContact O-N 2.99Å; N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.27Å; N91-F95 PolarHBondContact O-N 3.46Å
92	D	80	Confident	81.9	Confident	55 Å²	55	54.1 Å²	54.1	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-56.2	-47.8	173.7	-76.4	-19.4	0	0	0	109.9	E88 F95 S96 R167	E88-D92 PolarHBondContact O-N 2.82Å; D92-F95 PolarHBondContact O-N 2.92Å; D92-S96 WeakPolarHBondContact O-CB 3.2Å; D92-S96 PolarHBondContact O-N 3.41Å; D92-S96 PolarHBondContact O-OG 3.22Å; D92-R167 IonicContact OD2-NH2 3.57Å; D92-R167 PolarHBondContact OD2-NH2 2.81Å
93	L	82.8	Confident	81.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-39.1	-178.6	-171.8	60.7	0	0	0	113.3	I76 F79 W85 S89 T90 N91 S96 A97 I125 L127 F136	I76-L93 HydrophobicContact CD1-CG 4.31Å; I76-L93 HydrophobicContact CG1-CD2 4.33Å; I76-L93 HydrophobicContact CG1-CG 4.32Å; I76-L93 HydrophobicContact CG2-CB 3.99Å; I76-L93 HydrophobicContact CG2-CD2 3.68Å; I76-L93 HydrophobicContact CG2-CG 3.84Å; F79-L93 HydrophobicContact CD1-CD2 4.12Å; F79-L93 HydrophobicContact CE1-CD2 4.32Å; W85-L93 HydrophobicContact CZ3-CD2 4.11Å; S89-L93 WeakPolarHBondContact O-CB 3.4Å; S89-L93 PolarHBondContact O-N 3.36Å; T90-L93 PolarHBondContact O-N 2.97Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.26Å; L93-S96 WeakPolarHBondContact O-CB 3.32Å; L93-S96 PolarHBondContact O-N 3.49Å; L93-A97 PolarHBondContact O-N 3.01Å; L93-I125 HydrophobicContact CD1-CD1 4.46Å; L93-I125 HydrophobicContact CD1-CG2 3.81Å; L93-L127 HydrophobicContact CD1-CD1 3.91Å; L93-L127 HydrophobicContact CD1-CD2 4.33Å; L93-L127 HydrophobicContact CD1-CG 4.38Å; L93-F136 HydrophobicContact CD1-CE2 3.97Å; L93-F136 HydrophobicContact CD2-CE2 3.64Å; L93-F136 HydrophobicContact CD2-CZ 4.05Å; L93-F136 HydrophobicContact CG-CE2 4.21Å
94	K	87.1	Confident	81.2	Confident	39 Å²	39	56.8 Å²	56.8	17%	0.17	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-45.3	172.9	-75.6	173.9	177.6	173.2	0	111.7	I76 E77 T90 N91 S96 A97 A98	I76-K94 HydrophobicContact CB-CG 4.3Å; I76-K94 HydrophobicContact CD1-CG 4.43Å; I76-K94 HydrophobicContact CG2-CG 3.81Å; E77-K94 WeakPolarHBondContact OE1-CE 3.24Å; E77-K94 IonicContact OE1-NZ 3.35Å; E77-K94 PolarHBondContact OE1-NZ 3.32Å; T90-K94 HydrophobicContact CG2-CD 4.37Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.49Å; T90-K94 PolarHBondContact O-N 3.26Å; N91-K94 PolarHBondContact O-N 2.99Å; K94-S96 VanDerWaalsContact C-N 3.29Å; K94-S96 PolarHBondContact O-N 2.9Å; K94-A97 PolarHBondContact O-N 3.26Å; K94-A98 WeakPolarHBondContact O-CB 3.22Å; K94-A98 PolarHBondContact O-N 3.32Å
95	F	84.7	Confident	80.7	Confident	129 Å²	129	57 Å²	57	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-58.8	-46.2	178.2	178.6	-104.9	0	0	0	110.5	N91 D92 A97 A98 L99	N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.27Å; N91-F95 PolarHBondContact O-N 3.46Å; D92-F95 PolarHBondContact O-N 2.92Å; F95-A97 PolarHBondContact O-N 3.34Å; F95-A98 WeakPolarHBondContact O-CB 3.47Å; F95-A98 PolarHBondContact O-N 3.37Å; F95-L99 HydrophobicContact CD1-CD1 3.93Å; F95-L99 HydrophobicContact CD1-CG 4.36Å; F95-L99 HydrophobicContact CE1-CD1 3.41Å; F95-L99 VanDerWaalsContact CE1-CD1 3.41Å; F95-L99 HydrophobicContact CE1-CD2 4.49Å; F95-L99 HydrophobicContact CE1-CG 4.01Å; F95-L99 HydrophobicContact CE2-CD2 4.46Å; F95-L99 HydrophobicContact CE2-CG 4.48Å; F95-L99 HydrophobicContact CZ-CD1 3.84Å; F95-L99 HydrophobicContact CZ-CD2 4.09Å; F95-L99 HydrophobicContact CZ-CG 4.07Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 3.1Å
96	S	82.2	Confident	80.3	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-44.6	175	-60.7	0	0	0	0	113.6	D92 L93 K94 A98 L99 F109	D92-S96 WeakPolarHBondContact O-CB 3.2Å; D92-S96 PolarHBondContact O-N 3.41Å; D92-S96 PolarHBondContact O-OG 3.22Å; L93-S96 WeakPolarHBondContact O-CB 3.32Å; L93-S96 PolarHBondContact O-N 3.49Å; K94-S96 VanDerWaalsContact C-N 3.29Å; K94-S96 PolarHBondContact O-N 2.9Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 3.07Å; S96-L99 PolarHBondContact O-N 3.2Å; S96-F109 VanDerWaalsContact CB-CE2 3.42Å; S96-F109 WeakPolarHBondContact OG-CE1 3.39Å; S96-F109 WeakPolarHBondContact OG-CE2 3.43Å; S96-F109 WeakPolarHBondContact OG-CZ 3.32Å
97	A	83.3	Confident	79.9	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-37.4	175.5	0	0	0	0	0	112.2	I76 L93 K94 F95 L99 L100 L127 I134	I76-A97 HydrophobicContact CD1-CB 3.52Å; L93-A97 PolarHBondContact O-N 3.01Å; K94-A97 PolarHBondContact O-N 3.26Å; F95-A97 PolarHBondContact O-N 3.34Å; A97-L99 VanDerWaalsContact C-N 3.33Å; A97-L100 WeakPolarHBondContact O-CB 3.34Å; A97-L100 PolarHBondContact O-N 3.17Å; A97-L127 HydrophobicContact CB-CD1 4.13Å; A97-I134 HydrophobicContact CB-CD1 4.13Å
98	A	83.8	Confident	79	Confident	76 Å²	76	56.6 Å²	56.6	63%	0.628	31%	0.314	S	S	*	.	H	α-helix	trans	-69.4	-29.9	176.4	0	0	0	0	0	112.9	K94 F95 S96 L100	K94-A98 WeakPolarHBondContact O-CB 3.22Å; K94-A98 PolarHBondContact O-N 3.32Å; F95-A98 WeakPolarHBondContact O-CB 3.47Å; F95-A98 PolarHBondContact O-N 3.37Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 3.07Å; A98-L100 PolarHBondContact O-N 3.09Å
99	L	81.6	Confident	78.6	Confident	65 Å²	65	54.4 Å²	54.4	34%	0.34	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.4	174.2	-74.1	-178.4	0	0	0	113.3	F95 S96 A97 D101 K105	F95-L99 HydrophobicContact CD1-CD1 3.93Å; F95-L99 HydrophobicContact CD1-CG 4.36Å; F95-L99 HydrophobicContact CE1-CD1 3.41Å; F95-L99 VanDerWaalsContact CE1-CD1 3.41Å; F95-L99 HydrophobicContact CE1-CD2 4.49Å; F95-L99 HydrophobicContact CE1-CG 4.01Å; F95-L99 HydrophobicContact CE2-CD2 4.46Å; F95-L99 HydrophobicContact CE2-CG 4.48Å; F95-L99 HydrophobicContact CZ-CD1 3.84Å; F95-L99 HydrophobicContact CZ-CD2 4.09Å; F95-L99 HydrophobicContact CZ-CG 4.07Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 3.1Å; S96-L99 PolarHBondContact O-N 3.2Å; A97-L99 VanDerWaalsContact C-N 3.33Å; L99-D101 PolarHBondContact O-N 3.35Å; L99-K105 WeakPolarHBondContact O-CD 3.48Å; L99-K105 WeakPolarHBondContact O-CE 3.27Å; L99-K105 PolarHBondContact O-NZ 3.27Å
100	L	81.1	Confident	77.9	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	31%	0.305	C	S	.	.			trans	-76	62.8	174.1	-55.7	-177	0	0	0	111.1	A97 A98 K105 D107 L127 R129 I134	A97-L100 WeakPolarHBondContact O-CB 3.34Å; A97-L100 PolarHBondContact O-N 3.17Å; A98-L100 PolarHBondContact O-N 3.09Å; L100-K105 HydrophobicContact CD2-CB 4.2Å; L100-K105 HydrophobicContact CD2-CG 3.93Å; L100-D107 HydrophobicContact CD2-CB 4.16Å; L100-L127 HydrophobicContact CD1-CB 3.69Å; L100-R129 HydrophobicContact CB-CB 3.87Å; L100-R129 HydrophobicContact CD1-CB 4.28Å; L100-R129 WeakPolarHBondContact O-CD 3.5Å; L100-R129 PolarHBondContact O-NH1 3.19Å; L100-I134 HydrophobicContact CD1-CG2 4.27Å
101	D	78	Confident	77.3	Confident	108 Å²	108	54.3 Å²	54.3	58%	0.578	30%	0.301	S	S	*	.			trans	-72.7	-28.1	-175.7	56.3	-1.4	0	0	0	114.2	L99 K105 R129	L99-D101 PolarHBondContact O-N 3.35Å; D101-K105 WeakPolarHBondContact OD1-CD 3.45Å; D101-K105 WeakPolarHBondContact OD1-CE 3.37Å; D101-K105 IonicContact OD1-NZ 2.72Å; D101-K105 PolarHBondContact OD1-NZ 2.92Å; D101-K105 IonicContact OD2-NZ 3.49Å; D101-K105 PolarHBondContact OD2-NZ 2.81Å; D101-R129 PolarHBondContact O-NH1 2.99Å
102	A	72.4	Confident	76.5	Confident	48 Å²	48	50.9 Å²	50.9	40%	0.397	28%	0.283	S	S	.	.	S	Bend	trans	-111.7	154	-177.7	0	0	0	0	0	113.4	K105	A102-K105 HydrophobicContact CB-CB 4.47Å; A102-K105 VanDerWaalsContact O-CB 3.27Å; A102-K105 WeakPolarHBondContact O-CB 3.41Å; A102-K105 PolarHBondContact O-N 3.25Å
103	D	75.7	Confident	76.2	Confident	91 Å²	91	49.5 Å²	49.5	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142.2	169.4	-166.7	45.1	0	0	0	110.4	K105 M130 G131	D103-K105 PolarHBondContact O-N 2.79Å; D103-M130 WeakPolarHBondContact OD1-CA 3.49Å; D103-G131 PolarHBondContact OD1-N 3.37Å
104	Q	73.8	Confident	75.6	Confident	88 Å²	88	50.6 Å²	50.6	41%	0.411	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	0	-174.4	-50.5	-54.6	-47.1	0	0	116.3	R129 M130	Q104-R129 WeakPolarHBondContact CA-O 3.41Å; Q104-R129 PolarHBondContact N-O 3.38Å; Q104-M130 VanDerWaalsContact NE2-CE 3.29Å
105	K	74	Confident	74.8	Confident	78 Å²	78	51.7 Å²	51.7	34%	0.339	29%	0.289	S	S	.	.			trans	-67.4	136.2	173.4	-164.7	166.6	-178.5	-176	0	109.9	L99 L100 D101 A102 D103 K128 R129	L99-K105 WeakPolarHBondContact O-CD 3.48Å; L99-K105 WeakPolarHBondContact O-CE 3.27Å; L99-K105 PolarHBondContact O-NZ 3.27Å; L100-K105 HydrophobicContact CD2-CB 4.2Å; L100-K105 HydrophobicContact CD2-CG 3.93Å; D101-K105 WeakPolarHBondContact OD1-CD 3.45Å; D101-K105 WeakPolarHBondContact OD1-CE 3.37Å; D101-K105 IonicContact OD1-NZ 2.72Å; D101-K105 PolarHBondContact OD1-NZ 2.92Å; D101-K105 IonicContact OD2-NZ 3.49Å; D101-K105 PolarHBondContact OD2-NZ 2.81Å; A102-K105 HydrophobicContact CB-CB 4.47Å; A102-K105 VanDerWaalsContact O-CB 3.27Å; A102-K105 WeakPolarHBondContact O-CB 3.41Å; A102-K105 PolarHBondContact O-N 3.25Å; D103-K105 PolarHBondContact O-N 2.79Å; K105-K128 WeakPolarHBondContact O-CA 3.42Å; K105-R129 PolarHBondContact O-N 3.45Å
106	S	75.1	Confident	74	Confident	75 Å²	75	50.1 Å²	50.1	52%	0.524	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157	176	57.8	0	0	0	0	111.3	L127	S106-L127 CarbonylContact C-O 3.52Å; S106-L127 WeakPolarHBondContact CA-O 3.22Å; S106-L127 VanDerWaalsContact CB-O 3.29Å; S106-L127 WeakPolarHBondContact CB-O 3.45Å
107	D	72.8	Confident	73.3	Confident	44 Å²	44	55.6 Å²	55.6	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.1	171.9	-151	-18.6	0	0	0	109.8	L100 F109 L127	L100-D107 HydrophobicContact CD2-CB 4.16Å; D107-F109 HydrophobicContact CB-CE2 3.82Å; D107-F109 HydrophobicContact CB-CZ 3.71Å; D107-F109 WeakPolarHBondContact OD1-CZ 3.43Å; D107-F109 VanDerWaalsContact OD2-CZ 3.25Å; D107-F109 WeakPolarHBondContact OD2-CZ 3.37Å; D107-L127 PolarHBondContact N-O 3.47Å; D107-L127 PolarHBondContact O-N 2.82Å
108	T	65.7	Low	72.3	Confident	100 Å²	100	55.7 Å²	55.7	61%	0.613	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.6	-176.3	56.1	0	0	0	0	111.3	I125 A126	T108-I125 CarbonylContact C-O 3.59Å; T108-I125 VanDerWaalsContact CA-O 3.26Å; T108-I125 WeakPolarHBondContact CA-O 3.21Å; T108-A126 HydrophobicContact CG2-CB 4.09Å
109	F	68	Low	71.5	Confident	32 Å²	32	53.6 Å²	53.6	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147	-177.4	-49	-84.2	0	0	0	110	S96 D107 I125 L127	S96-F109 VanDerWaalsContact CB-CE2 3.42Å; S96-F109 WeakPolarHBondContact OG-CE1 3.39Å; S96-F109 WeakPolarHBondContact OG-CE2 3.43Å; S96-F109 WeakPolarHBondContact OG-CZ 3.32Å; D107-F109 HydrophobicContact CB-CE2 3.82Å; D107-F109 HydrophobicContact CB-CZ 3.71Å; D107-F109 WeakPolarHBondContact OD1-CZ 3.43Å; D107-F109 VanDerWaalsContact OD2-CZ 3.25Å; D107-F109 WeakPolarHBondContact OD2-CZ 3.37Å; F109-I125 HydrophobicContact CB-CB 4.27Å; F109-I125 HydrophobicContact CB-CD1 4.31Å; F109-I125 HydrophobicContact CD2-CB 4.4Å; F109-I125 PolarHBondContact N-O 2.95Å; F109-I125 PolarHBondContact O-N 2.84Å; F109-L127 HydrophobicContact CE2-CD1 4.02Å; F109-L127 HydrophobicContact CE2-CG 4.43Å
110	I	64.2	Low	70.9	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.072	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.7	167.8	-56.8	171	0	0	0	105.8	F112 V122 H123 F124 Y161 L200 L204	I110-F112 HydrophobicContact CG2-CD2 4.48Å; I110-F112 HydrophobicContact CG2-CE2 3.81Å; I110-F112 HydrophobicContact CG2-CZ 3.98Å; I110-V122 HydrophobicContact CG2-CG1 3.65Å; I110-H123 CarbonylContact C-O 3.56Å; I110-H123 WeakPolarHBondContact CA-O 3.48Å; I110-F124 HydrophobicContact CB-CE1 4.48Å; I110-F124 HydrophobicContact CD1-CD1 4.13Å; I110-F124 HydrophobicContact CD1-CE1 3.43Å; I110-F124 VanDerWaalsContact CD1-CE1 3.43Å; I110-F124 HydrophobicContact CD1-CZ 4.14Å; I110-F124 HydrophobicContact CG1-CD1 3.8Å; I110-F124 HydrophobicContact CG1-CE1 3.51Å; I110-F124 HydrophobicContact CG1-CZ 4.19Å; I110-F124 HydrophobicContact CG2-CE1 4.2Å; I110-F124 HydrophobicContact CG2-CZ 4.02Å; I110-Y161 PolarHBondContact O-N 2.89Å; I110-L200 HydrophobicContact CB-CD2 3.87Å; I110-L200 HydrophobicContact CD1-CD2 3.42Å; I110-L200 VanDerWaalsContact CD1-CD2 3.42Å; I110-L200 HydrophobicContact CG1-CD2 4.2Å; I110-L200 HydrophobicContact CG2-CD2 3.96Å; I110-L204 HydrophobicContact CD1-CD1 4.45Å; I110-L204 HydrophobicContact CD1-CD2 3.99Å; I110-L204 HydrophobicContact CD1-CG 3.95Å
111	R	71.8	Confident	70.6	Confident	6 Å²	6	53.3 Å²	53.3	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.4	176.5	174.3	-178.7	174	-76.5	-6.6	109.6	W85 S89 V122 H123 I125 N157 S158 W159	W85-R111 VanDerWaalsContact CG-CZ 3.43Å; S89-R111 PolarHBondContact OG-NE 2.7Å; R111-V122 CarbonylContact O-C 3.54Å; R111-H123 HydrophobicContact CB-CB 4.2Å; R111-H123 PolarHBondContact N-O 2.83Å; R111-H123 PolarHBondContact NH1-CD2 3.28Å; R111-H123 VanDerWaalsContact NH1-CD2 3.32Å; R111-H123 PolarHBondContact NH1-NE2 2.74Å; R111-H123 PolarHBondContact O-N 2.85Å; R111-I125 HydrophobicContact CB-CD1 4.38Å; R111-N157 PolarHBondContact NH2-O 3Å; R111-S158 PolarHBondContact NH2-OG 2.88Å; R111-W159 VanDerWaalsContact CA-O 3.27Å; R111-W159 WeakPolarHBondContact CA-O 3.34Å
112	F	68.6	Low	70.3	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.3	170.3	-63.2	-92	0	0	0	109.6	I110 Y121 V122 S158 W159 F199 L200	I110-F112 HydrophobicContact CG2-CD2 4.48Å; I110-F112 HydrophobicContact CG2-CE2 3.81Å; I110-F112 HydrophobicContact CG2-CZ 3.98Å; F112-Y121 CarbonylContact C-O 3.59Å; F112-Y121 WeakPolarHBondContact CA-O 3.48Å; F112-V122 HydrophobicContact CD1-CB 4.36Å; F112-V122 HydrophobicContact CD1-CG1 4.06Å; F112-V122 HydrophobicContact CD1-CG2 3.72Å; F112-V122 HydrophobicContact CE1-CB 4.2Å; F112-V122 HydrophobicContact CE1-CG1 3.62Å; F112-V122 HydrophobicContact CE1-CG2 3.56Å; F112-V122 HydrophobicContact CZ-CG1 3.99Å; F112-S158 WeakPolarHBondContact O-CA 3.26Å; F112-W159 HydrophobicContact CB-CD2 4.01Å; F112-W159 HydrophobicContact CB-CG 4.29Å; F112-W159 HydrophobicContact CB-CZ2 3.61Å; F112-W159 AromaticContact CD2-CD1 3.53Å; F112-W159 AromaticContact CD2-NE1 3.25Å; F112-W159 AromaticContact CG-CD1 3.99Å; F112-W159 AromaticContact CG-CE2 3.95Å; F112-W159 HydrophobicContact CG-CZ2 4.31Å; F112-W159 AromaticContact CG-NE1 3.36Å; F112-W159 PolarHBondContact N-O 2.92Å; F112-W159 VanDerWaalsContact N-O 3.08Å; F112-W159 PolarHBondContact O-N 2.97Å; F112-W159 VanDerWaalsContact O-N 3.16Å; F112-F199 HydrophobicContact CE1-CB 3.5Å; F112-F199 VanDerWaalsContact CE1-CB 3.5Å; F112-F199 HydrophobicContact CE1-CD2 4.28Å; F112-F199 AromaticContact CE1-CG 3.93Å; F112-F199 HydrophobicContact CE1-CG 3.93Å; F112-F199 HydrophobicContact CZ-CB 3.49Å; F112-F199 VanDerWaalsContact CZ-CB 3.49Å; F112-F199 HydrophobicContact CZ-CG 4.32Å; F112-L200 HydrophobicContact CE2-CD2 4.25Å; F112-L200 HydrophobicContact CZ-CD2 4.43Å
113	Q	73.1	Confident	70.4	Confident	27 Å²	27	46 Å²	46	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117	175.9	170.4	174.4	1	0	0	109.9	N83 V115 F120 Y121 H123 N157	N83-Q113 PolarHBondContact O-NE2 2.92Å; Q113-V115 PolarHBondContact O-N 3.03Å; Q113-F120 CarbonylContact O-C 3.51Å; Q113-F120 WeakPolarHBondContact O-CA 3.27Å; Q113-Y121 HydrophobicContact CG-CD2 4.43Å; Q113-Y121 PolarHBondContact N-O 3.31Å; Q113-Y121 PolarHBondContact O-N 3.15Å; Q113-H123 PolarHBondContact OE1-CE1 3.19Å; Q113-H123 PolarHBondContact OE1-NE2 3.41Å; Q113-N157 VanDerWaalsContact CA-O 3.23Å; Q113-N157 WeakPolarHBondContact CA-O 3.36Å
114	K	69.8	Low	70.2	Confident	28 Å²	28	42.1 Å²	42.1	12%	0.122	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.1	172.7	-166.7	-179.4	179.8	-171.7	0	108.8	D116 D117 F120 V153	K114-D116 VanDerWaalsContact CE-O 3.28Å; K114-D116 WeakPolarHBondContact CE-O 3.4Å; K114-D116 WeakPolarHBondContact CG-O 3.45Å; K114-D117 WeakPolarHBondContact CE-OD1 3.36Å; K114-D117 IonicContact NZ-OD1 3.69Å; K114-D117 PolarHBondContact NZ-OD1 3.07Å; K114-F120 HydrophobicContact CB-CD1 4.05Å; K114-F120 HydrophobicContact CB-CE1 3.88Å; K114-F120 HydrophobicContact CG-CD1 4.31Å; K114-F120 HydrophobicContact CG-CE1 3.83Å; K114-V153 HydrophobicContact CD-CG1 4.47Å; K114-V153 PolarHBondContact NZ-O 2.8Å
115	V	71.8	Confident	70.2	Confident	63 Å²	63	38.2 Å²	38.2	38%	0.382	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-45.6	175.4	-176	0	0	0	0	109.3	Q113 E119 Y121	Q113-V115 PolarHBondContact O-N 3.03Å; V115-E119 HydrophobicContact CB-CB 4.09Å; V115-E119 PolarHBondContact N-O 3.46Å; V115-Y121 HydrophobicContact CB-CE2 4.45Å; V115-Y121 HydrophobicContact CG1-CE2 4.29Å; V115-Y121 HydrophobicContact CG2-CD2 3.22Å; V115-Y121 HydrophobicContact CG2-CE2 3.3Å; V115-Y121 HydrophobicContact CG2-CG 3.88Å
116	D	67.3	Low	70.2	Confident	96 Å²	96	36.2 Å²	36.2	51%	0.513	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-176.5	179.1	-156.6	-12.4	0	0	0	109	K114 G118 E119	K114-D116 VanDerWaalsContact CE-O 3.28Å; K114-D116 WeakPolarHBondContact CE-O 3.4Å; K114-D116 WeakPolarHBondContact CG-O 3.45Å; D116-G118 PolarHBondContact O-N 3.49Å; D116-E119 HydrophobicContact CB-CB 4.03Å; D116-E119 HydrophobicContact CB-CG 4.33Å; D116-E119 PolarHBondContact N-O 3.46Å; D116-E119 PolarHBondContact O-N 3.39Å
117	D	66.5	Low	70.3	Confident	120 Å²	120	32.7 Å²	32.7	64%	0.642	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	109	177.2	-78.1	-17.9	0	0	0	112.1	K114 E119	K114-D117 WeakPolarHBondContact CE-OD1 3.36Å; K114-D117 IonicContact NZ-OD1 3.69Å; K114-D117 PolarHBondContact NZ-OD1 3.07Å; D117-E119 VanDerWaalsContact C-N 3.28Å
118	G	63.1	Low	70.8	Confident	5 Å²	5	32.5 Å²	32.5	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	3.3	-175.3	0	0	0	0	0	114.5	D116 F145	D116-G118 PolarHBondContact O-N 3.49Å; G118-F145 CarbonylContact C-O 3.45Å; G118-F145 VanDerWaalsContact CA-O 3.27Å; G118-F145 WeakPolarHBondContact CA-O 3.48Å; G118-F145 CarbonylContact O-C 3.56Å; G118-F145 PolarHBondContact O-N 2.95Å
119	E	68.1	Low	71.4	Confident	31 Å²	31	30.5 Å²	30.5	15%	0.145	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130	178.7	-68.5	-170.7	-160.9	0	0	111.7	V115 D116 D117 H142 K144	V115-E119 HydrophobicContact CB-CB 4.09Å; V115-E119 PolarHBondContact N-O 3.46Å; D116-E119 HydrophobicContact CB-CB 4.03Å; D116-E119 HydrophobicContact CB-CG 4.33Å; D116-E119 PolarHBondContact N-O 3.46Å; D116-E119 PolarHBondContact O-N 3.39Å; D117-E119 VanDerWaalsContact C-N 3.28Å; E119-H142 IonicContact OE2-CE1 2.62Å; E119-H142 IonicContact OE2-NE2 2.7Å; E119-K144 HydrophobicContact CG-CB 4.09Å; E119-K144 HydrophobicContact CG-CD 3.77Å; E119-K144 HydrophobicContact CG-CG 3.69Å; E119-K144 WeakPolarHBondContact OE1-CD 3.37Å; E119-K144 WeakPolarHBondContact OE1-CE 3.09Å; E119-K144 IonicContact OE1-NZ 3.66Å; E119-K144 PolarHBondContact OE1-NZ 3.49Å
120	F	68	Low	72.1	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140	-178.1	-54.7	-85.9	0	0	0	112.1	Q113 K114 V143 F145 L147 V153 W159	Q113-F120 CarbonylContact O-C 3.51Å; Q113-F120 WeakPolarHBondContact O-CA 3.27Å; K114-F120 HydrophobicContact CB-CD1 4.05Å; K114-F120 HydrophobicContact CB-CE1 3.88Å; K114-F120 HydrophobicContact CG-CD1 4.31Å; K114-F120 HydrophobicContact CG-CE1 3.83Å; F120-V143 PolarHBondContact N-O 2.91Å; F120-V143 PolarHBondContact O-N 3.28Å; F120-F145 HydrophobicContact CD2-CD2 4.04Å; F120-L147 HydrophobicContact CE2-CD1 4.43Å; F120-L147 HydrophobicContact CZ-CD1 4.49Å; F120-V153 HydrophobicContact CE1-CG1 4.07Å; F120-V153 HydrophobicContact CZ-CB 4.39Å; F120-V153 HydrophobicContact CZ-CG1 4.06Å; F120-V153 HydrophobicContact CZ-CG2 4.23Å; F120-W159 AromaticContact CD1-CH2 3.96Å; F120-W159 HydrophobicContact CD1-CH2 3.96Å; F120-W159 HydrophobicContact CD1-CZ2 4.15Å; F120-W159 AromaticContact CE1-CH2 3.63Å; F120-W159 HydrophobicContact CE1-CH2 3.63Å; F120-W159 HydrophobicContact CE1-CZ2 4.07Å
121	Y	74.3	Confident	73.2	Confident	59 Å²	59	32.8 Å²	32.8	23%	0.231	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.1	155.2	-66.5	-60.9	0	0	0	109.5	F112 Q113 V115 H123 R140 H141 H142	F112-Y121 CarbonylContact C-O 3.59Å; F112-Y121 WeakPolarHBondContact CA-O 3.48Å; Q113-Y121 HydrophobicContact CG-CD2 4.43Å; Q113-Y121 PolarHBondContact N-O 3.31Å; Q113-Y121 PolarHBondContact O-N 3.15Å; V115-Y121 HydrophobicContact CB-CE2 4.45Å; V115-Y121 HydrophobicContact CG1-CE2 4.29Å; V115-Y121 HydrophobicContact CG2-CD2 3.22Å; V115-Y121 HydrophobicContact CG2-CE2 3.3Å; V115-Y121 HydrophobicContact CG2-CG 3.88Å; Y121-H123 WeakPolarHBondContact CB-NE2 3.38Å; Y121-R140 HydrophobicContact CD1-CG 4.13Å; Y121-R140 HydrophobicContact CG-CG 4.4Å; Y121-H141 CarbonylContact C-O 3.57Å; Y121-H141 WeakPolarHBondContact CA-O 3.29Å; Y121-H142 HydrophobicContact CD1-CB 3.81Å; Y121-H142 AromaticContact CD1-CD2 3.65Å; Y121-H142 AromaticContact CD1-CG 3.94Å; Y121-H142 HydrophobicContact CE1-CB 3.61Å; Y121-H142 AromaticContact CE1-CD2 3.43Å; Y121-H142 VanDerWaalsContact CE1-CD2 3.43Å; Y121-H142 WeakPolarHBondContact CE1-CD2 3.44Å; Y121-H142 AromaticContact CE1-CG 3.51Å
122	V	72.4	Confident	74	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.9	169.2	-165	0	0	0	0	108.4	I110 R111 F112 F124 R140 H141 V143 A203	I110-V122 HydrophobicContact CG2-CG1 3.65Å; R111-V122 CarbonylContact O-C 3.54Å; F112-V122 HydrophobicContact CD1-CB 4.36Å; F112-V122 HydrophobicContact CD1-CG1 4.06Å; F112-V122 HydrophobicContact CD1-CG2 3.72Å; F112-V122 HydrophobicContact CE1-CB 4.2Å; F112-V122 HydrophobicContact CE1-CG1 3.62Å; F112-V122 HydrophobicContact CE1-CG2 3.56Å; F112-V122 HydrophobicContact CZ-CG1 3.99Å; V122-F124 HydrophobicContact CB-CE2 4.28Å; V122-F124 HydrophobicContact CG1-CE2 3.64Å; V122-F124 HydrophobicContact CG1-CZ 3.92Å; V122-R140 WeakPolarHBondContact O-CA 3.49Å; V122-H141 PolarHBondContact N-O 3.44Å; V122-H141 PolarHBondContact O-N 2.82Å; V122-V143 HydrophobicContact CG2-CG2 3.91Å; V122-A203 HydrophobicContact CB-CB 4.14Å; V122-A203 HydrophobicContact CG1-CB 3.62Å; V122-A203 HydrophobicContact CG2-CB 4.35Å
123	H	73.7	Confident	74.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.6	-177.7	-56.6	-100.5	0	0	0	109	W85 I110 R111 Q113 Y121 L138 A139	W85-H123 HydrophobicContact CH2-CB 4.37Å; W85-H123 HydrophobicContact CZ2-CB 4.02Å; W85-H123 AromaticContact CZ2-CE1 3.97Å; W85-H123 AromaticContact CZ2-CG 3.73Å; W85-H123 AromaticContact CZ2-ND1 3.54Å; W85-H123 AromaticContact NE1-CE1 3.77Å; W85-H123 AromaticContact NE1-NE2 3.98Å; I110-H123 CarbonylContact C-O 3.56Å; I110-H123 WeakPolarHBondContact CA-O 3.48Å; R111-H123 HydrophobicContact CB-CB 4.2Å; R111-H123 PolarHBondContact N-O 2.83Å; R111-H123 PolarHBondContact NH1-CD2 3.28Å; R111-H123 VanDerWaalsContact NH1-CD2 3.32Å; R111-H123 PolarHBondContact NH1-NE2 2.74Å; R111-H123 PolarHBondContact O-N 2.85Å; Q113-H123 PolarHBondContact OE1-CE1 3.19Å; Q113-H123 PolarHBondContact OE1-NE2 3.41Å; Y121-H123 WeakPolarHBondContact CB-NE2 3.38Å; H123-L138 HydrophobicContact CB-CD1 4.07Å; H123-A139 CarbonylContact C-O 3.58Å; H123-A139 WeakPolarHBondContact CA-O 3.21Å
124	F	71.8	Confident	75.4	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.6	167.3	-67.9	-91.5	0	0	0	107.9	I110 V122 L138 A139 H141 A203 L204 F207	I110-F124 HydrophobicContact CB-CE1 4.48Å; I110-F124 HydrophobicContact CD1-CD1 4.13Å; I110-F124 HydrophobicContact CD1-CE1 3.43Å; I110-F124 VanDerWaalsContact CD1-CE1 3.43Å; I110-F124 HydrophobicContact CD1-CZ 4.14Å; I110-F124 HydrophobicContact CG1-CD1 3.8Å; I110-F124 HydrophobicContact CG1-CE1 3.51Å; I110-F124 HydrophobicContact CG1-CZ 4.19Å; I110-F124 HydrophobicContact CG2-CE1 4.2Å; I110-F124 HydrophobicContact CG2-CZ 4.02Å; V122-F124 HydrophobicContact CB-CE2 4.28Å; V122-F124 HydrophobicContact CG1-CE2 3.64Å; V122-F124 HydrophobicContact CG1-CZ 3.92Å; F124-L138 CarbonylContact O-C 3.52Å; F124-L138 VanDerWaalsContact O-CA 3.25Å; F124-L138 WeakPolarHBondContact O-CA 3.44Å; F124-A139 HydrophobicContact CB-CB 4.15Å; F124-A139 PolarHBondContact N-O 3.4Å; F124-A139 PolarHBondContact O-N 3.49Å; F124-H141 AromaticContact CD2-CD2 3.53Å; F124-H141 AromaticContact CD2-NE2 3.84Å; F124-H141 AromaticContact CE2-CD2 3.65Å; F124-A203 HydrophobicContact CE1-CB 4.38Å; F124-A203 HydrophobicContact CE2-CB 3.45Å; F124-A203 VanDerWaalsContact CE2-CB 3.45Å; F124-A203 WeakPolarHBondContact CE2-O 3.34Å; F124-A203 VanDerWaalsContact CZ-CA 3.47Å; F124-A203 HydrophobicContact CZ-CB 3.16Å; F124-A203 WeakPolarHBondContact CZ-O 3.34Å; F124-L204 HydrophobicContact CD1-CD2 4.39Å; F124-L204 HydrophobicContact CE1-CD2 3.92Å; F124-L204 HydrophobicContact CE1-CG 4.09Å; F124-F207 HydrophobicContact CB-CD2 3.74Å; F124-F207 HydrophobicContact CB-CE2 4.03Å; F124-F207 HydrophobicContact CB-CG 4.29Å; F124-F207 HydrophobicContact CD1-CB 4.01Å; F124-F207 HydrophobicContact CD1-CD2 4.37Å; F124-F207 HydrophobicContact CD1-CG 4.08Å; F124-F207 HydrophobicContact CD2-CB 4.17Å; F124-F207 HydrophobicContact CD2-CD2 4.37Å; F124-F207 HydrophobicContact CE1-CB 4.3Å; F124-F207 HydrophobicContact CG-CB 3.99Å; F124-F207 AromaticContact CG-CD2 3.85Å; F124-F207 HydrophobicContact CG-CD2 3.85Å; F124-F207 AromaticContact CG-CG 3.99Å; F124-F207 HydrophobicContact CG-CG 3.99Å
125	I	74.6	Confident	75.9	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.8	-179.6	-49.3	160.9	0	0	0	106.6	W85 L93 T108 F109 R111 L127 F136 G137 L138	W85-I125 HydrophobicContact CH2-CD1 3.3Å; W85-I125 HydrophobicContact CH2-CG1 3.95Å; W85-I125 HydrophobicContact CZ2-CD1 4.49Å; W85-I125 HydrophobicContact CZ3-CD1 3.56Å; L93-I125 HydrophobicContact CD1-CD1 4.46Å; L93-I125 HydrophobicContact CD1-CG2 3.81Å; T108-I125 CarbonylContact C-O 3.59Å; T108-I125 VanDerWaalsContact CA-O 3.26Å; T108-I125 WeakPolarHBondContact CA-O 3.21Å; F109-I125 HydrophobicContact CB-CB 4.27Å; F109-I125 HydrophobicContact CB-CD1 4.31Å; F109-I125 HydrophobicContact CD2-CB 4.4Å; F109-I125 PolarHBondContact N-O 2.95Å; F109-I125 PolarHBondContact O-N 2.84Å; R111-I125 HydrophobicContact CB-CD1 4.38Å; I125-L127 HydrophobicContact CG2-CD2 4.45Å; I125-F136 HydrophobicContact CG2-CD2 4.49Å; I125-F136 HydrophobicContact CG2-CE1 4.26Å; I125-F136 HydrophobicContact CG2-CE2 3.72Å; I125-F136 HydrophobicContact CG2-CZ 3.58Å; I125-G137 CarbonylContact C-O 3.57Å; I125-G137 VanDerWaalsContact CA-O 3.32Å; I125-G137 WeakPolarHBondContact CA-O 3.31Å; I125-L138 HydrophobicContact CG1-CD1 3.96Å
126	A	73.9	Confident	76.4	Confident	35 Å²	35	40.6 Å²	40.6	29%	0.289	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.7	171.9	0	0	0	0	0	108.5	T108 F136 G137	T108-A126 HydrophobicContact CG2-CB 4.09Å; A126-F136 CarbonylContact O-C 3.6Å; A126-F136 WeakPolarHBondContact O-CA 3.42Å; A126-G137 PolarHBondContact N-O 3.34Å; A126-G137 PolarHBondContact O-N 2.62Å
127	L	77.7	Confident	76.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	173	-56.9	176.2	0	0	0	108.3	L93 A97 L100 S106 D107 F109 I125 I134 F135 F136	L93-L127 HydrophobicContact CD1-CD1 3.91Å; L93-L127 HydrophobicContact CD1-CD2 4.33Å; L93-L127 HydrophobicContact CD1-CG 4.38Å; A97-L127 HydrophobicContact CB-CD1 4.13Å; L100-L127 HydrophobicContact CD1-CB 3.69Å; S106-L127 CarbonylContact C-O 3.52Å; S106-L127 WeakPolarHBondContact CA-O 3.22Å; S106-L127 VanDerWaalsContact CB-O 3.29Å; S106-L127 WeakPolarHBondContact CB-O 3.45Å; D107-L127 PolarHBondContact N-O 3.47Å; D107-L127 PolarHBondContact O-N 2.82Å; F109-L127 HydrophobicContact CE2-CD1 4.02Å; F109-L127 HydrophobicContact CE2-CG 4.43Å; I125-L127 HydrophobicContact CG2-CD2 4.45Å; L127-I134 HydrophobicContact CD2-CG2 4.41Å; L127-F135 CarbonylContact C-O 3.51Å; L127-F135 WeakPolarHBondContact CA-O 3.07Å; L127-F136 HydrophobicContact CD2-CB 4.19Å; L127-F136 HydrophobicContact CD2-CD2 3.15Å; L127-F136 HydrophobicContact CD2-CE2 3.69Å; L127-F136 HydrophobicContact CD2-CG 3.95Å
128	K	81.7	Confident	76.9	Confident	39 Å²	39	31.3 Å²	31.3	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.7	171.4	-176.8	171.6	-178.8	175.3	0	110	K105 I134 F135 F228	K105-K128 WeakPolarHBondContact O-CA 3.42Å; K128-I134 CarbonylContact O-C 3.47Å; K128-I134 WeakPolarHBondContact O-CA 3.33Å; K128-F135 PolarHBondContact N-O 2.9Å; K128-F135 PolarHBondContact O-N 2.97Å; K128-F228 HydrophobicContact CD-CB 4.2Å; K128-F228 HydrophobicContact CD-CD1 3.81Å; K128-F228 HydrophobicContact CD-CG 4.02Å
129	R	80	Confident	77	Confident	59 Å²	59	31.5 Å²	31.5	22%	0.223	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.4	172.7	-179.7	172.5	177.6	-169.3	-7.9	110.3	L100 D101 Q104 K105 G131 K133	L100-R129 HydrophobicContact CB-CB 3.87Å; L100-R129 HydrophobicContact CD1-CB 4.28Å; L100-R129 WeakPolarHBondContact O-CD 3.5Å; L100-R129 PolarHBondContact O-NH1 3.19Å; D101-R129 PolarHBondContact O-NH1 2.99Å; Q104-R129 WeakPolarHBondContact CA-O 3.41Å; Q104-R129 PolarHBondContact N-O 3.38Å; K105-R129 PolarHBondContact O-N 3.45Å; R129-G131 PolarHBondContact NE-O 3.03Å; R129-K133 WeakPolarHBondContact CA-O 3.25Å
130	M	82.7	Confident	77.1	Confident	54 Å²	54	33.3 Å²	33.3	27%	0.266	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.7	162.5	-48	-178.4	90.7	0	0	111.1	D103 Q104 E132 K133 F135 F228	D103-M130 WeakPolarHBondContact OD1-CA 3.49Å; Q104-M130 VanDerWaalsContact NE2-CE 3.29Å; M130-E132 PolarHBondContact O-N 3.01Å; M130-K133 PolarHBondContact N-O 3.45Å; M130-K133 PolarHBondContact O-N 3.4Å; M130-F135 HydrophobicContact CB-CD2 4.29Å; M130-F135 HydrophobicContact CB-CE2 3.77Å; M130-F135 HydrophobicContact CG-CD2 4Å; M130-F135 HydrophobicContact CG-CE2 3.83Å; M130-F135 HydrophobicContact SD-CD2 4.3Å; M130-F135 HydrophobicContact SD-CE2 3.88Å; M130-F135 HydrophobicContact SD-CZ 4.28Å; M130-F228 HydrophobicContact CE-CD1 4.45Å; M130-F228 HydrophobicContact CE-CE1 3.45Å; M130-F228 VanDerWaalsContact CE-CE1 3.45Å; M130-F228 HydrophobicContact CE-CZ 4.04Å; M130-F228 HydrophobicContact CG-CE1 4.34Å; M130-F228 HydrophobicContact CG-CZ 4.49Å; M130-F228 HydrophobicContact SD-CD1 4.13Å; M130-F228 HydrophobicContact SD-CE1 3.03Å; M130-F228 WeakPolarHBondContact SD-CE1 3.03Å; M130-F228 HydrophobicContact SD-CE2 4.21Å; M130-F228 HydrophobicContact SD-CZ 3.08Å; M130-F228 WeakPolarHBondContact SD-CZ 3.28Å
131	G	86.3	Confident	76.9	Confident	40 Å²	40	33.4 Å²	33.4	41%	0.412	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-120.2	-172	0	0	0	0	0	111.4	D103 R129	D103-G131 PolarHBondContact OD1-N 3.37Å; R129-G131 PolarHBondContact NE-O 3.03Å
132	E	87.9	Confident	76.5	Confident	165 Å²	165	32.7 Å²	32.7	77%	0.771	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	10	178.9	-58.5	-168.3	159.1	0	0	113.5	P68 T69 M130	P68-E132 CarbonylContact C-O 3.56Å; P68-E132 WeakPolarHBondContact CA-O 2.75Å; T69-E132 PolarHBondContact N-O 3.19Å; T69-E132 PolarHBondContact OG1-O 2.61Å; M130-E132 PolarHBondContact O-N 3.01Å
133	K	87.4	Confident	75.9	Confident	100 Å²	100	33.3 Å²	33.3	44%	0.435	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.4	-179.7	-64.8	-178.4	-179.5	179.3	0	111	F67 R129 M130 F135	F67-K133 CarbonylContact O-C 3.54Å; F67-K133 WeakPolarHBondContact O-CA 3.36Å; R129-K133 WeakPolarHBondContact CA-O 3.25Å; M130-K133 PolarHBondContact N-O 3.45Å; M130-K133 PolarHBondContact O-N 3.4Å; K133-F135 HydrophobicContact CB-CE2 4.07Å
134	I	84.7	Confident	75.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.6	166.1	-62.1	178.8	0	0	0	107.6	Q66 F67 T69 A97 L100 L127 K128	Q66-I134 WeakPolarHBondContact CA-O 3.47Å; F67-I134 HydrophobicContact CD2-CB 4.07Å; F67-I134 HydrophobicContact CE2-CB 3.65Å; F67-I134 HydrophobicContact CE2-CD1 4.16Å; F67-I134 HydrophobicContact CE2-CG1 4.42Å; F67-I134 HydrophobicContact CE2-CG2 3.83Å; F67-I134 HydrophobicContact CZ-CB 4.11Å; F67-I134 HydrophobicContact CZ-CG2 3.81Å; F67-I134 PolarHBondContact N-O 3.08Å; F67-I134 PolarHBondContact O-N 2.99Å; T69-I134 HydrophobicContact CG2-CD1 4.24Å; A97-I134 HydrophobicContact CB-CD1 4.13Å; L100-I134 HydrophobicContact CD1-CG2 4.27Å; L127-I134 HydrophobicContact CD2-CG2 4.41Å; K128-I134 CarbonylContact O-C 3.47Å; K128-I134 WeakPolarHBondContact O-CA 3.33Å
135	F	80.9	Confident	74.4	Confident	25 Å²	25	36.6 Å²	36.6	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.8	170.2	-66	-99.1	0	0	0	107.8	Q66 L127 K128 M130 K133 F225 F228	Q66-F135 HydrophobicContact CB-CD1 4.12Å; Q66-F135 HydrophobicContact CB-CE1 4.18Å; L127-F135 CarbonylContact C-O 3.51Å; L127-F135 WeakPolarHBondContact CA-O 3.07Å; K128-F135 PolarHBondContact N-O 2.9Å; K128-F135 PolarHBondContact O-N 2.97Å; M130-F135 HydrophobicContact CB-CD2 4.29Å; M130-F135 HydrophobicContact CB-CE2 3.77Å; M130-F135 HydrophobicContact CG-CD2 4Å; M130-F135 HydrophobicContact CG-CE2 3.83Å; M130-F135 HydrophobicContact SD-CD2 4.3Å; M130-F135 HydrophobicContact SD-CE2 3.88Å; M130-F135 HydrophobicContact SD-CZ 4.28Å; K133-F135 HydrophobicContact CB-CE2 4.07Å; F135-F225 AromaticContact CD1-CD1 3.66Å; F135-F225 HydrophobicContact CD1-CD1 3.66Å; F135-F225 AromaticContact CD1-CE1 3.93Å; F135-F225 HydrophobicContact CD1-CE1 3.93Å; F135-F225 AromaticContact CE1-CD1 3.67Å; F135-F225 HydrophobicContact CE1-CD1 3.67Å; F135-F225 AromaticContact CE1-CE1 3.73Å; F135-F225 HydrophobicContact CE1-CE1 3.73Å; F135-F228 AromaticContact CD1-CE2 3.82Å; F135-F228 HydrophobicContact CD1-CE2 3.82Å; F135-F228 HydrophobicContact CD1-CZ 4.47Å; F135-F228 HydrophobicContact CE1-CE2 4.05Å; F135-F228 HydrophobicContact CE1-CZ 4.36Å; F135-F228 HydrophobicContact CG-CE2 4.14Å
136	F	80.9	Confident	73.2	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.3	-175.8	-177.4	-71.6	0	0	0	108.5	L64 M65 F67 F79 L93 I125 A126 L127 L138	L64-F136 CarbonylContact C-O 3.58Å; L64-F136 WeakPolarHBondContact CA-O 3.45Å; M65-F136 HydrophobicContact CB-CB 4.28Å; M65-F136 HydrophobicContact CE-CB 4.29Å; M65-F136 HydrophobicContact CE-CD1 3.24Å; M65-F136 HydrophobicContact CE-CD2 4.32Å; M65-F136 HydrophobicContact CE-CE1 3.52Å; M65-F136 HydrophobicContact CE-CG 3.71Å; M65-F136 HydrophobicContact CE-CZ 4.24Å; M65-F136 PolarHBondContact N-O 2.97Å; M65-F136 PolarHBondContact O-N 2.82Å; F67-F136 HydrophobicContact CE1-CB 3.66Å; F67-F136 HydrophobicContact CE1-CD2 4.25Å; F67-F136 HydrophobicContact CE1-CG 4.26Å; F67-F136 HydrophobicContact CZ-CB 4.21Å; F67-F136 HydrophobicContact CZ-CD2 4.3Å; F79-F136 HydrophobicContact CD1-CE1 4.45Å; F79-F136 HydrophobicContact CD1-CE2 4.47Å; F79-F136 AromaticContact CD1-CZ 3.84Å; F79-F136 HydrophobicContact CD1-CZ 3.84Å; F79-F136 HydrophobicContact CD2-CE1 4.26Å; F79-F136 HydrophobicContact CD2-CZ 4.43Å; F79-F136 HydrophobicContact CE1-CE1 4.07Å; F79-F136 HydrophobicContact CE1-CE2 4.47Å; F79-F136 AromaticContact CE1-CZ 3.52Å; F79-F136 HydrophobicContact CE1-CZ 3.52Å; F79-F136 AromaticContact CE2-CE1 3.84Å; F79-F136 HydrophobicContact CE2-CE1 3.84Å; F79-F136 HydrophobicContact CE2-CZ 4.13Å; F79-F136 HydrophobicContact CG-CZ 4.29Å; F79-F136 AromaticContact CZ-CE1 3.75Å; F79-F136 HydrophobicContact CZ-CE1 3.75Å; F79-F136 AromaticContact CZ-CZ 3.69Å; F79-F136 HydrophobicContact CZ-CZ 3.69Å; L93-F136 HydrophobicContact CD1-CE2 3.97Å; L93-F136 HydrophobicContact CD2-CE2 3.64Å; L93-F136 HydrophobicContact CD2-CZ 4.05Å; L93-F136 HydrophobicContact CG-CE2 4.21Å; I125-F136 HydrophobicContact CG2-CD2 4.49Å; I125-F136 HydrophobicContact CG2-CE1 4.26Å; I125-F136 HydrophobicContact CG2-CE2 3.72Å; I125-F136 HydrophobicContact CG2-CZ 3.58Å; A126-F136 CarbonylContact O-C 3.6Å; A126-F136 WeakPolarHBondContact O-CA 3.42Å; L127-F136 HydrophobicContact CD2-CB 4.19Å; L127-F136 HydrophobicContact CD2-CD2 3.15Å; L127-F136 HydrophobicContact CD2-CE2 3.69Å; L127-F136 HydrophobicContact CD2-CG 3.95Å; F136-L138 HydrophobicContact CE1-CB 3.96Å
137	G	71.8	Confident	72	Confident	16 Å²	16	42.1 Å²	42.1	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.1	169.6	0	0	0	0	0	110.6	I125 A126	I125-G137 CarbonylContact C-O 3.57Å; I125-G137 VanDerWaalsContact CA-O 3.32Å; I125-G137 WeakPolarHBondContact CA-O 3.31Å; A126-G137 PolarHBondContact N-O 3.34Å; A126-G137 PolarHBondContact O-N 2.62Å
138	L	73.7	Confident	70.4	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131	167.3	-176.4	73.6	0	0	0	109	C62 R63 F79 W85 H123 F124 I125 F136 R140	C62-L138 CarbonylContact C-O 3.53Å; C62-L138 VanDerWaalsContact CA-O 3.24Å; C62-L138 WeakPolarHBondContact CA-O 3.43Å; R63-L138 HydrophobicContact CB-CB 4.31Å; R63-L138 PolarHBondContact N-O 2.85Å; R63-L138 PolarHBondContact O-N 3.4Å; F79-L138 HydrophobicContact CE2-CD2 3.78Å; F79-L138 HydrophobicContact CZ-CD1 3.89Å; F79-L138 HydrophobicContact CZ-CD2 3.69Å; F79-L138 HydrophobicContact CZ-CG 4.24Å; W85-L138 HydrophobicContact CH2-CD1 4.42Å; W85-L138 HydrophobicContact CZ2-CD1 4.48Å; H123-L138 HydrophobicContact CB-CD1 4.07Å; F124-L138 CarbonylContact O-C 3.52Å; F124-L138 VanDerWaalsContact O-CA 3.25Å; F124-L138 WeakPolarHBondContact O-CA 3.44Å; I125-L138 HydrophobicContact CG1-CD1 3.96Å; F136-L138 HydrophobicContact CE1-CB 3.96Å; L138-R140 HydrophobicContact CD2-CB 4.5Å
139	A	65.2	Low	68.7	Low	8 Å²	8	47.7 Å²	47.7	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.4	153.9	0	0	0	0	0	108.9	H123 F124 F207	H123-A139 CarbonylContact C-O 3.58Å; H123-A139 WeakPolarHBondContact CA-O 3.21Å; F124-A139 HydrophobicContact CB-CB 4.15Å; F124-A139 PolarHBondContact N-O 3.4Å; F124-A139 PolarHBondContact O-N 3.49Å; A139-F207 HydrophobicContact CB-CD2 3.49Å; A139-F207 VanDerWaalsContact CB-CD2 3.49Å; A139-F207 HydrophobicContact CB-CE2 3.7Å
140	R	69.1	Low	67	Low	69 Å²	69	48.5 Å²	48.5	26%	0.26	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.6	175.6	178.9	-175.2	66.6	173.7	1.5	108.1	S60 S61 Y121 V122 L138	S60-R140 CarbonylContact C-O 3.58Å; S60-R140 WeakPolarHBondContact CA-O 3.42Å; S61-R140 PolarHBondContact N-O 2.96Å; S61-R140 PolarHBondContact O-N 3.42Å; S61-R140 PolarHBondContact OG-NE 2.83Å; S61-R140 VanDerWaalsContact OG-NE 3.14Å; S61-R140 PolarHBondContact OG-NH2 3.26Å; Y121-R140 HydrophobicContact CD1-CG 4.13Å; Y121-R140 HydrophobicContact CG-CG 4.4Å; V122-R140 WeakPolarHBondContact O-CA 3.49Å; L138-R140 HydrophobicContact CD2-CB 4.5Å
141	H	65.5	Low	65.2	Low	7 Å²	7	47.6 Å²	47.6	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	174.4	-57.4	-78	0	0	0	109.2	S60 Y121 V122 F124 V143 D210	S60-H141 PolarHBondContact OG-ND1 3.37Å; Y121-H141 CarbonylContact C-O 3.57Å; Y121-H141 WeakPolarHBondContact CA-O 3.29Å; V122-H141 PolarHBondContact N-O 3.44Å; V122-H141 PolarHBondContact O-N 2.82Å; F124-H141 AromaticContact CD2-CD2 3.53Å; F124-H141 AromaticContact CD2-NE2 3.84Å; F124-H141 AromaticContact CE2-CD2 3.65Å; H141-V143 HydrophobicContact CB-CG2 4.28Å; H141-D210 IonicContact CE1-OD2 3.08Å; H141-D210 PolarHBondContact CE1-OD2 3.26Å; H141-D210 IonicContact ND1-OD2 3.18Å; H141-D210 PolarHBondContact ND1-OD2 2.93Å
142	H	64.2	Low	63.3	Low	44 Å²	44	51.3 Å²	51.3	20%	0.204	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.2	167.9	-168.2	-151.5	0	0	0	109.5	R59 E119 Y121	R59-H142 HydrophobicContact CB-CB 4.45Å; E119-H142 IonicContact OE2-CE1 2.62Å; E119-H142 IonicContact OE2-NE2 2.7Å; Y121-H142 HydrophobicContact CD1-CB 3.81Å; Y121-H142 AromaticContact CD1-CD2 3.65Å; Y121-H142 AromaticContact CD1-CG 3.94Å; Y121-H142 HydrophobicContact CE1-CB 3.61Å; Y121-H142 AromaticContact CE1-CD2 3.43Å; Y121-H142 VanDerWaalsContact CE1-CD2 3.43Å; Y121-H142 WeakPolarHBondContact CE1-CD2 3.44Å; Y121-H142 AromaticContact CE1-CG 3.51Å
143	V	60.3	Low	61.5	Low	14 Å²	14	44 Å²	44	9%	0.085	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.9	177.5	-155.3	0	0	0	0	110.6	F120 V122 H141 F145	F120-V143 PolarHBondContact N-O 2.91Å; F120-V143 PolarHBondContact O-N 3.28Å; V122-V143 HydrophobicContact CG2-CG2 3.91Å; H141-V143 HydrophobicContact CB-CG2 4.28Å; V143-F145 HydrophobicContact CB-CD2 4.26Å; V143-F145 HydrophobicContact CB-CE2 3.41Å; V143-F145 VanDerWaalsContact CB-CE2 3.41Å; V143-F145 HydrophobicContact CB-CZ 3.65Å; V143-F145 HydrophobicContact CG1-CD1 4.33Å; V143-F145 HydrophobicContact CG1-CD2 4.06Å; V143-F145 HydrophobicContact CG1-CE1 3.6Å; V143-F145 HydrophobicContact CG1-CE2 3.27Å; V143-F145 HydrophobicContact CG1-CZ 3.02Å; V143-F145 HydrophobicContact CG2-CE2 4.47Å; V143-F145 HydrophobicContact CG2-CZ 4.47Å
144	K	58.6	Low	59.5	Low	74 Å²	74	42.7 Å²	42.7	32%	0.322	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131	175.4	179.6	161.1	-172.6	164.2	0	109.5	Y56 E119	Y56-K144 HydrophobicContact CD2-CD 3.75Å; Y56-K144 HydrophobicContact CD2-CG 4.31Å; Y56-K144 HydrophobicContact CE2-CD 4.32Å; Y56-K144 HydrophobicContact CG-CD 4.43Å; E119-K144 HydrophobicContact CG-CB 4.09Å; E119-K144 HydrophobicContact CG-CD 3.77Å; E119-K144 HydrophobicContact CG-CG 3.69Å; E119-K144 WeakPolarHBondContact OE1-CD 3.37Å; E119-K144 WeakPolarHBondContact OE1-CE 3.09Å; E119-K144 IonicContact OE1-NZ 3.66Å; E119-K144 PolarHBondContact OE1-NZ 3.49Å
145	F	55.8	Low	57.7	Low	5 Å²	5	50.5 Å²	50.5	2%	0.022	26%	0.264	C	S	.	.			trans	-130.8	132	179.8	-57.2	-82.9	0	0	0	109.5	F53 G118 F120 V143 L147 F198 F199	F53-F145 AromaticContact CD1-CD1 3.31Å; F53-F145 HydrophobicContact CD1-CD1 3.31Å; F53-F145 AromaticContact CD1-CE1 3.54Å; F53-F145 HydrophobicContact CD1-CE1 3.54Å; F53-F145 AromaticContact CE1-CD1 3.51Å; F53-F145 HydrophobicContact CE1-CD1 3.51Å; F53-F145 AromaticContact CE1-CE1 3.7Å; F53-F145 HydrophobicContact CE1-CE1 3.7Å; G118-F145 CarbonylContact C-O 3.45Å; G118-F145 VanDerWaalsContact CA-O 3.27Å; G118-F145 WeakPolarHBondContact CA-O 3.48Å; G118-F145 CarbonylContact O-C 3.56Å; G118-F145 PolarHBondContact O-N 2.95Å; F120-F145 HydrophobicContact CD2-CD2 4.04Å; V143-F145 HydrophobicContact CB-CD2 4.26Å; V143-F145 HydrophobicContact CB-CE2 3.41Å; V143-F145 VanDerWaalsContact CB-CE2 3.41Å; V143-F145 HydrophobicContact CB-CZ 3.65Å; V143-F145 HydrophobicContact CG1-CD1 4.33Å; V143-F145 HydrophobicContact CG1-CD2 4.06Å; V143-F145 HydrophobicContact CG1-CE1 3.6Å; V143-F145 HydrophobicContact CG1-CE2 3.27Å; V143-F145 HydrophobicContact CG1-CZ 3.02Å; V143-F145 HydrophobicContact CG2-CE2 4.47Å; V143-F145 HydrophobicContact CG2-CZ 4.47Å; F145-L147 PolarHBondContact O-N 3.26Å; F145-F198 HydrophobicContact CE1-CE1 4.24Å; F145-F199 AromaticContact CD1-CE1 3.91Å; F145-F199 HydrophobicContact CD1-CE1 3.91Å; F145-F199 HydrophobicContact CD2-CD1 4.34Å; F145-F199 AromaticContact CD2-CE1 3.43Å; F145-F199 HydrophobicContact CD2-CE1 3.43Å; F145-F199 VanDerWaalsContact CD2-CE1 3.43Å; F145-F199 HydrophobicContact CD2-CZ 4.06Å; F145-F199 HydrophobicContact CE1-CD1 4.04Å; F145-F199 AromaticContact CE1-CE1 3.68Å; F145-F199 HydrophobicContact CE1-CE1 3.68Å; F145-F199 AromaticContact CE2-CD1 3.6Å; F145-F199 HydrophobicContact CE2-CD1 3.6Å; F145-F199 AromaticContact CE2-CE1 3.14Å; F145-F199 HydrophobicContact CE2-CE1 3.14Å; F145-F199 HydrophobicContact CE2-CZ 4.1Å; F145-F199 AromaticContact CG-CE1 3.77Å; F145-F199 HydrophobicContact CG-CE1 3.77Å; F145-F199 HydrophobicContact CG-CZ 4.4Å; F145-F199 AromaticContact CZ-CD1 3.4Å; F145-F199 HydrophobicContact CZ-CD1 3.4Å; F145-F199 AromaticContact CZ-CE1 3.25Å; F145-F199 HydrophobicContact CZ-CE1 3.25Å
146	K	49.5	Very low	56.1	Low	133 Å²	133	54.2 Å²	54.2	58%	0.578	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-84.4	96.6	168.1	-164.9	172.5	-176.9	169.8	0	108	R52	R52-K146 HydrophobicContact CB-CB 4.23Å; R52-K146 PolarHBondContact N-O 3.39Å; R52-K146 VanDerWaalsContact O-CB 3.23Å; R52-K146 WeakPolarHBondContact O-CB 3.32Å; R52-K146 PolarHBondContact O-N 3.34Å; R52-K146 VanDerWaalsContact O-N 3.07Å
147	L	48.3	Very low	54.3	Low	25 Å²	25	58.2 Å²	58.2	13%	0.131	30%	0.302	C	S	.	.			trans	-63.7	152.6	169.7	-63.7	174.6	0	0	0	109.6	F120 F145 I151 V153 L195	F120-L147 HydrophobicContact CE2-CD1 4.43Å; F120-L147 HydrophobicContact CZ-CD1 4.49Å; F145-L147 PolarHBondContact O-N 3.26Å; L147-I151 HydrophobicContact CB-CB 4.32Å; L147-I151 HydrophobicContact CB-CG2 4.47Å; L147-I151 HydrophobicContact CD1-CG2 4.27Å; L147-V153 HydrophobicContact CD1-CG2 3.46Å; L147-V153 VanDerWaalsContact CD1-CG2 3.46Å; L147-L195 HydrophobicContact CD2-CD2 4.32Å
148	A	45	Very low	53.2	Low	13 Å²	13	57.6 Å²	57.6	11%	0.107	30%	0.295	C	S	.	.			trans	-60.6	147.1	174.2	0	0	0	0	0	109.7	N150 I151	A148-N150 VanDerWaalsContact CB-OD1 3.3Å; A148-N150 WeakPolarHBondContact CB-OD1 3.07Å; A148-N150 PolarHBondContact O-N 2.93Å; A148-I151 HydrophobicContact CB-CD1 3.9Å; A148-I151 HydrophobicContact CB-CG1 4.11Å; A148-I151 PolarHBondContact O-N 2.77Å
149	P	44.8	Very low	52.2	Low	144 Å²	144	57.7 Å²	57.7	94%	0.935	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.5	-172.5	-24.7	32.8	0	0	0	115.2
150	N	44.6	Very low	51.3	Low	77 Å²	77	58.1 Å²	58.1	41%	0.412	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.7	-178.2	61.4	-42.9	0	0	0	114	A148 T185	A148-N150 VanDerWaalsContact CB-OD1 3.3Å; A148-N150 WeakPolarHBondContact CB-OD1 3.07Å; A148-N150 PolarHBondContact O-N 2.93Å; N150-T185 PolarHBondContact ND2-OG1 3.39Å
151	I	44.1	Very low	50.3	Low	34 Å²	34	60.4 Å²	60.4	17%	0.174	31%	0.308	C	S	.	.			trans	-93.6	106.5	178.4	-62.1	176.9	0	0	0	108.4	F47 L147 A148 V153	F47-I151 HydrophobicContact CE2-CD1 4.17Å; L147-I151 HydrophobicContact CB-CB 4.32Å; L147-I151 HydrophobicContact CB-CG2 4.47Å; L147-I151 HydrophobicContact CD1-CG2 4.27Å; A148-I151 HydrophobicContact CB-CD1 3.9Å; A148-I151 HydrophobicContact CB-CG1 4.11Å; A148-I151 PolarHBondContact O-N 2.77Å; I151-V153 HydrophobicContact CG2-CG2 4.47Å
152	N	48.2	Very low	49.4	Very low	119 Å²	119	68.5 Å²	68.5	64%	0.636	34%	0.343	S	S	*	.			trans	-96.5	126.3	174.6	-163.7	-6.1	0	0	0	110.5
153	V	49.4	Very low	48.7	Very low	11 Å²	11	67.4 Å²	67.4	7%	0.067	34%	0.34	C	S	.	.			trans	-105	105	175.5	-177.5	0	0	0	0	108.5	K114 F120 L147 I151 W159 M168	K114-V153 HydrophobicContact CD-CG1 4.47Å; K114-V153 PolarHBondContact NZ-O 2.8Å; F120-V153 HydrophobicContact CE1-CG1 4.07Å; F120-V153 HydrophobicContact CZ-CB 4.39Å; F120-V153 HydrophobicContact CZ-CG1 4.06Å; F120-V153 HydrophobicContact CZ-CG2 4.23Å; L147-V153 HydrophobicContact CD1-CG2 3.46Å; L147-V153 VanDerWaalsContact CD1-CG2 3.46Å; I151-V153 HydrophobicContact CG2-CG2 4.47Å; V153-W159 HydrophobicContact CG1-CH2 4.06Å; V153-M168 HydrophobicContact CG1-CE 4.28Å
154	T	45.9	Very low	48	Very low	73 Å²	73	67.1 Å²	67.1	45%	0.448	34%	0.338	S	S	.	.			trans	-65.9	149.9	180	55.6	0	0	0	0	112.9	K156 M168	T154-K156 VanDerWaalsContact C-N 3.25Å; T154-K156 PolarHBondContact O-N 3.46Å; T154-M168 VanDerWaalsContact OG1-CE 3.24Å; T154-M168 WeakPolarHBondContact OG1-CE 3.49Å; T154-M168 PolarHBondContact OG1-SD 2.87Å
155	E	47.1	Very low	47.5	Very low	164 Å²	164	65.2 Å²	65.2	77%	0.766	33%	0.328	S	S	*	.	S	Bend	trans	-67.2	29.2	-166.5	-68.4	-171.2	147.2	0	0	118.4	N157	E155-N157 VanDerWaalsContact C-N 3.31Å; E155-N157 PolarHBondContact O-N 3.44Å
156	K	46.3	Very low	47.3	Very low	102 Å²	102	72 Å²	72	44%	0.443	36%	0.36	S	S	.	.			trans	-73.7	95.5	164.9	-80	-164.6	172.5	-167.7	0	108.4	T154 S158 W159 R167	T154-K156 VanDerWaalsContact C-N 3.25Å; T154-K156 PolarHBondContact O-N 3.46Å; K156-S158 PolarHBondContact O-N 3.36Å; K156-W159 WeakPolarHBondContact O-CZ3 3.24Å; K156-R167 HydrophobicContact CD-CB 4.36Å
157	N	43.1	Very low	47.4	Very low	86 Å²	86	67.7 Å²	67.7	46%	0.46	34%	0.34	S	S	.	.			trans	-59.3	-4.2	-171.9	-70.9	-25.8	0	0	0	115.4	R111 Q113 E155	R111-N157 PolarHBondContact NH2-O 3Å; Q113-N157 VanDerWaalsContact CA-O 3.23Å; Q113-N157 WeakPolarHBondContact CA-O 3.36Å; E155-N157 VanDerWaalsContact C-N 3.31Å; E155-N157 PolarHBondContact O-N 3.44Å
158	S	48.8	Very low	47.2	Very low	2 Å²	2	67.7 Å²	67.7	1%	0.014	34%	0.34	C	S	.	.			trans	-152.7	135.3	-174.4	-33.1	0	0	0	0	112.2	D86 S89 R111 F112 K156	D86-S158 PolarHBondContact OD1-OG 3.41Å; D86-S158 WeakPolarHBondContact OD2-CB 3.32Å; D86-S158 PolarHBondContact OD2-OG 3.31Å; S89-S158 WeakPolarHBondContact OG-CB 3.25Å; S89-S158 PolarHBondContact OG-OG 3.23Å; R111-S158 PolarHBondContact NH2-OG 2.88Å; F112-S158 WeakPolarHBondContact O-CA 3.26Å; K156-S158 PolarHBondContact O-N 3.36Å
159	W	52.1	Low	47.4	Very low	8 Å²	8	71 Å²	71	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	134.7	165.5	51.4	88.4	0	0	0	112.4	R111 F112 F120 V153 K156 W164	R111-W159 VanDerWaalsContact CA-O 3.27Å; R111-W159 WeakPolarHBondContact CA-O 3.34Å; F112-W159 HydrophobicContact CB-CD2 4.01Å; F112-W159 HydrophobicContact CB-CG 4.29Å; F112-W159 HydrophobicContact CB-CZ2 3.61Å; F112-W159 AromaticContact CD2-CD1 3.53Å; F112-W159 AromaticContact CD2-NE1 3.25Å; F112-W159 AromaticContact CG-CD1 3.99Å; F112-W159 AromaticContact CG-CE2 3.95Å; F112-W159 HydrophobicContact CG-CZ2 4.31Å; F112-W159 AromaticContact CG-NE1 3.36Å; F112-W159 PolarHBondContact N-O 2.92Å; F112-W159 VanDerWaalsContact N-O 3.08Å; F112-W159 PolarHBondContact O-N 2.97Å; F112-W159 VanDerWaalsContact O-N 3.16Å; F120-W159 AromaticContact CD1-CH2 3.96Å; F120-W159 HydrophobicContact CD1-CH2 3.96Å; F120-W159 HydrophobicContact CD1-CZ2 4.15Å; F120-W159 AromaticContact CE1-CH2 3.63Å; F120-W159 HydrophobicContact CE1-CH2 3.63Å; F120-W159 HydrophobicContact CE1-CZ2 4.07Å; V153-W159 HydrophobicContact CG1-CH2 4.06Å; K156-W159 WeakPolarHBondContact O-CZ3 3.24Å; W159-W164 HydrophobicContact CB-CB 4.24Å; W159-W164 AromaticContact CD1-CD1 3.35Å; W159-W164 AromaticContact CD1-CG 3.47Å; W159-W164 VanDerWaalsContact CD1-CG 3.47Å; W159-W164 AromaticContact CD2-CD1 3.23Å; W159-W164 HydrophobicContact CD2-CG 4.13Å; W159-W164 AromaticContact CD2-NE1 3.86Å; W159-W164 AromaticContact CE2-CD1 3.09Å; W159-W164 AromaticContact CE2-CG 3.86Å; W159-W164 AromaticContact CE2-NE1 3.36Å; W159-W164 AromaticContact CE3-CD1 3.92Å; W159-W164 HydrophobicContact CG-CB 3.85Å; W159-W164 AromaticContact CG-CD1 3.37Å; W159-W164 AromaticContact CG-CG 3.87Å; W159-W164 HydrophobicContact CG-CG 3.87Å; W159-W164 AromaticContact CH2-NE1 3.96Å; W159-W164 AromaticContact CZ2-CD1 3.72Å; W159-W164 AromaticContact CZ2-NE1 3.46Å; W159-W164 AromaticContact NE1-CD1 3.08Å; W159-W164 AromaticContact NE1-CG 3.35Å; W159-W164 AromaticContact NE1-NE1 3.63Å
160	A	47.6	Very low	47.6	Very low	16 Å²	16	69.7 Å²	69.7	13%	0.132	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.4	170.5	0	0	0	0	0	109.5	K162 S163	A160-K162 PolarHBondContact O-N 2.87Å; A160-S163 PolarHBondContact O-N 2.91Å; A160-S163 VanDerWaalsContact O-N 3.11Å
161	Y	47.9	Very low	47.8	Very low	117 Å²	117	70.7 Å²	70.7	46%	0.459	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-14	-176.3	177.7	-131	0	0	0	116.3	I110 S163 E196 L200	I110-Y161 PolarHBondContact O-N 2.89Å; Y161-S163 PolarHBondContact O-N 3.4Å; Y161-E196 HydrophobicContact CE2-CG 4.49Å; Y161-L200 HydrophobicContact CD1-CD2 4.44Å; Y161-L200 HydrophobicContact CD2-CD1 3.31Å; Y161-L200 HydrophobicContact CD2-CD2 3.45Å; Y161-L200 VanDerWaalsContact CD2-CD2 3.45Å; Y161-L200 HydrophobicContact CD2-CG 3.99Å; Y161-L200 HydrophobicContact CE2-CD1 2.93Å; Y161-L200 HydrophobicContact CE2-CD2 3.89Å; Y161-L200 HydrophobicContact CE2-CG 4.02Å; Y161-L200 HydrophobicContact CG-CD1 4.35Å; Y161-L200 HydrophobicContact CG-CD2 3.79Å
162	K	47	Very low	48.1	Very low	178 Å²	178	81.7 Å²	81.7	77%	0.774	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.3	175.7	-79.4	-176.8	178.1	171.3	0	115	A160	A160-K162 PolarHBondContact O-N 2.87Å
163	S	48.4	Very low	47.9	Very low	21 Å²	21	79.2 Å²	79.2	15%	0.147	40%	0.399	C	S	.	.	S	Bend	trans	-155.6	15.2	-166.5	68.7	0	0	0	0	118.4	A160 Y161 W165 Q166 R167	A160-S163 PolarHBondContact O-N 2.91Å; A160-S163 VanDerWaalsContact O-N 3.11Å; Y161-S163 PolarHBondContact O-N 3.4Å; S163-W165 PolarHBondContact O-N 3.2Å; S163-Q166 PolarHBondContact O-N 3.06Å; S163-R167 WeakPolarHBondContact O-CB 3.13Å; S163-R167 WeakPolarHBondContact O-CG 3.4Å; S163-R167 PolarHBondContact O-N 3.14Å; S163-R167 VanDerWaalsContact OG-CZ 3.27Å; S163-R167 PolarHBondContact OG-NE 3.35Å
164	W	44.7	Very low	47.6	Very low	8 Å²	8	82.5 Å²	82.5	3%	0.03	43%	0.426	C	S	.	.	H	α-helix	trans	-51.9	-55.9	-175.8	171.7	57.1	0	0	0	113.4	W159 Q166 R167 M168 M187 A192 L195 E196	W159-W164 HydrophobicContact CB-CB 4.24Å; W159-W164 AromaticContact CD1-CD1 3.35Å; W159-W164 AromaticContact CD1-CG 3.47Å; W159-W164 VanDerWaalsContact CD1-CG 3.47Å; W159-W164 AromaticContact CD2-CD1 3.23Å; W159-W164 HydrophobicContact CD2-CG 4.13Å; W159-W164 AromaticContact CD2-NE1 3.86Å; W159-W164 AromaticContact CE2-CD1 3.09Å; W159-W164 AromaticContact CE2-CG 3.86Å; W159-W164 AromaticContact CE2-NE1 3.36Å; W159-W164 AromaticContact CE3-CD1 3.92Å; W159-W164 HydrophobicContact CG-CB 3.85Å; W159-W164 AromaticContact CG-CD1 3.37Å; W159-W164 AromaticContact CG-CG 3.87Å; W159-W164 HydrophobicContact CG-CG 3.87Å; W159-W164 AromaticContact CH2-NE1 3.96Å; W159-W164 AromaticContact CZ2-CD1 3.72Å; W159-W164 AromaticContact CZ2-NE1 3.46Å; W159-W164 AromaticContact NE1-CD1 3.08Å; W159-W164 AromaticContact NE1-CG 3.35Å; W159-W164 AromaticContact NE1-NE1 3.63Å; W164-Q166 PolarHBondContact O-N 2.93Å; W164-R167 PolarHBondContact O-N 3.18Å; W164-M168 WeakPolarHBondContact O-CG 3.32Å; W164-M168 PolarHBondContact O-N 2.87Å; W164-M187 HydrophobicContact CH2-CE 3.58Å; W164-M187 HydrophobicContact CH2-SD 4.46Å; W164-M187 HydrophobicContact CZ2-CE 4Å; W164-A192 HydrophobicContact CH2-CB 4.02Å; W164-A192 HydrophobicContact CZ3-CB 3.72Å; W164-A192 VanDerWaalsContact CZ3-O 3.23Å; W164-A192 WeakPolarHBondContact CZ3-O 3.25Å; W164-L195 HydrophobicContact CH2-CD2 4.24Å; W164-L195 HydrophobicContact CH2-CG 4.49Å; W164-E196 HydrophobicContact CE3-CB 3.74Å; W164-E196 HydrophobicContact CE3-CG 4.17Å; W164-E196 HydrophobicContact CZ3-CB 3.79Å
165	W	48.7	Very low	47.4	Very low	34 Å²	34	90.7 Å²	90.7	13%	0.129	45%	0.449	C	S	.	.	H	α-helix	trans	-66.9	-37.4	-179	179.4	-124	0	0	0	112.6	S163 R167 M168 K169 M187 E189 A192	S163-W165 PolarHBondContact O-N 3.2Å; W165-R167 PolarHBondContact O-N 2.84Å; W165-M168 HydrophobicContact CE3-CB 3.96Å; W165-M168 HydrophobicContact CZ3-CB 4.21Å; W165-M168 PolarHBondContact O-N 2.68Å; W165-K169 HydrophobicContact CZ2-CG 4.2Å; W165-K169 PolarHBondContact O-N 2.94Å; W165-M187 HydrophobicContact CE3-CE 4.21Å; W165-M187 WeakPolarHBondContact CH2-O 3.2Å; W165-M187 HydrophobicContact CZ3-CE 3.76Å; W165-E189 HydrophobicContact CZ2-CB 4.09Å; W165-E189 VanDerWaalsContact NE1-CB 3.27Å; W165-A192 HydrophobicContact CB-CB 4.32Å; W165-A192 HydrophobicContact CD2-CB 3.32Å; W165-A192 HydrophobicContact CE3-CB 3.17Å; W165-A192 HydrophobicContact CG-CB 3.84Å; W165-A192 HydrophobicContact CH2-CB 4.15Å; W165-A192 HydrophobicContact CZ2-CB 4.26Å; W165-A192 HydrophobicContact CZ3-CB 3.62Å
166	Q	52.5	Low	47.1	Very low	147 Å²	147	87.6 Å²	87.6	69%	0.687	45%	0.445	S	S	*	.	H	α-helix	trans	-61	-34.4	174.9	-68.3	-174.4	-6.7	0	0	111.9	S163 W164	S163-Q166 PolarHBondContact O-N 3.06Å; W164-Q166 PolarHBondContact O-N 2.93Å
167	R	51.9	Low	46.9	Very low	42 Å²	42	90.1 Å²	90.1	16%	0.158	46%	0.464	C	S	.	.	H	α-helix	trans	-77.2	-26.6	176.6	-74.2	-176.5	176.9	150.8	14.1	113.2	E88 D92 K156 S163 W164 W165	E88-R167 IonicContact OE1-CZ 2.82Å; E88-R167 IonicContact OE1-NE 3.99Å; E88-R167 PolarHBondContact OE1-NE 2.87Å; E88-R167 IonicContact OE1-NH1 3.67Å; E88-R167 IonicContact OE1-NH2 3.68Å; E88-R167 PolarHBondContact OE1-NH2 2.85Å; E88-R167 IonicContact OE2-CZ 2.81Å; E88-R167 IonicContact OE2-NE 2.98Å; E88-R167 IonicContact OE2-NH2 3.8Å; D92-R167 IonicContact OD2-NH2 3.57Å; D92-R167 PolarHBondContact OD2-NH2 2.81Å; K156-R167 HydrophobicContact CD-CB 4.36Å; S163-R167 WeakPolarHBondContact O-CB 3.13Å; S163-R167 WeakPolarHBondContact O-CG 3.4Å; S163-R167 PolarHBondContact O-N 3.14Å; S163-R167 VanDerWaalsContact OG-CZ 3.27Å; S163-R167 PolarHBondContact OG-NE 3.35Å; W164-R167 PolarHBondContact O-N 3.18Å; W165-R167 PolarHBondContact O-N 2.84Å
168	M	42.2	Very low	46.7	Very low	26 Å²	26	94.3 Å²	94.3	13%	0.128	48%	0.481	C	S	.	.	H	α-helix	trans	-84.2	-21.5	178.3	-69.6	-67.9	-66.2	0	0	113.5	V153 T154 W164 W165 P170	V153-M168 HydrophobicContact CG1-CE 4.28Å; T154-M168 VanDerWaalsContact OG1-CE 3.24Å; T154-M168 WeakPolarHBondContact OG1-CE 3.49Å; T154-M168 PolarHBondContact OG1-SD 2.87Å; W164-M168 WeakPolarHBondContact O-CG 3.32Å; W164-M168 PolarHBondContact O-N 2.87Å; W165-M168 HydrophobicContact CE3-CB 3.96Å; W165-M168 HydrophobicContact CZ3-CB 4.21Å; W165-M168 PolarHBondContact O-N 2.68Å; M168-P170 WeakPolarHBondContact O-CD 3.45Å
169	K	51.2	Low	46.1	Very low	82 Å²	82	100.3 Å²	100.3	36%	0.357	52%	0.523	S	S	.	.	S	Bend	trans	-58.9	124.8	173.2	-79.1	-174.8	-173.7	178.2	0	108.6	W165 S171 E189	W165-K169 HydrophobicContact CZ2-CG 4.2Å; W165-K169 PolarHBondContact O-N 2.94Å; K169-S171 PolarHBondContact O-N 2.74Å; K169-S171 VanDerWaalsContact O-N 3.13Å; K169-E189 IonicContact NZ-OE1 3.94Å; K169-E189 PolarHBondContact NZ-OE1 3.14Å; K169-E189 IonicContact NZ-OE2 2.83Å; K169-E189 PolarHBondContact NZ-OE2 2.91Å
170	P	47.1	Very low	45.3	Very low	116 Å²	116	104.4 Å²	104.4	75%	0.753	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-51.2	125.8	166.6	-23.1	32.3	0	0	0	108.2	M168 R172	M168-P170 WeakPolarHBondContact O-CD 3.45Å; P170-R172 PolarHBondContact O-N 2.86Å; P170-R172 VanDerWaalsContact O-N 3.14Å
171	S	49.1	Very low	44.9	Very low	98 Å²	98	109 Å²	109	69%	0.685	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.5	125.5	176	-79.7	0	0	0	0	108.4	K169 G173 A174	K169-S171 PolarHBondContact O-N 2.74Å; K169-S171 VanDerWaalsContact O-N 3.13Å; S171-G173 PolarHBondContact O-N 2.83Å; S171-A174 PolarHBondContact O-N 3.43Å
172	R	51.6	Low	44.4	Very low	265 Å²	265	111.5 Å²	111.5	100%	1	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-5.1	-177.8	-80	-171.5	179.8	-170	0.8	114.5	P170	P170-R172 PolarHBondContact O-N 2.86Å; P170-R172 VanDerWaalsContact O-N 3.14Å
173	G	43.2	Very low	43.9	Very low	68 Å²	68	108.4 Å²	108.4	70%	0.701	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-0.6	179.1	0	0	0	0	0	116.5	S171 R175	S171-G173 PolarHBondContact O-N 2.83Å; G173-R175 PolarHBondContact O-N 3.48Å
174	A	44.2	Very low	43.6	Very low	79 Å²	79	111.4 Å²	111.4	65%	0.653	63%	0.628	S	S	*	*			trans	-75.9	78.6	176.6	0	0	0	0	0	110.3	S171 S176	S171-A174 PolarHBondContact O-N 3.43Å; A174-S176 VanDerWaalsContact C-N 3.32Å; A174-S176 PolarHBondContact O-N 2.9Å
175	R	40.5	Very low	43.7	Very low	246 Å²	246	115 Å²	115	93%	0.928	65%	0.652	S	S	*	*			trans	-65.6	96.7	159.5	-75.7	-176.7	175.8	179.9	-1.7	107	G173	G173-R175 PolarHBondContact O-N 3.48Å
176	S	41.9	Very low	43.9	Very low	98 Å²	98	117.6 Å²	117.6	69%	0.685	68%	0.68	S	S	*	*			trans	-120.5	98.6	167.6	175	0	0	0	0	106.7	A174 Q178	A174-S176 VanDerWaalsContact C-N 3.32Å; A174-S176 PolarHBondContact O-N 2.9Å; S176-Q178 PolarHBondContact O-N 3.25Å
177	D	41.5	Very low	43.8	Very low	155 Å²	155	111.9 Å²	111.9	83%	0.829	65%	0.654	S	S	*	*			trans	-52.3	105.7	161.6	-68.1	-48.9	0	0	0	108.5
178	Q	38.2	Very low	44	Very low	174 Å²	174	111.9 Å²	111.9	81%	0.813	66%	0.66	S	S	*	*			trans	-168.1	105.8	150.2	-107	161.4	66	0	0	109.8	S176 S180	S176-Q178 PolarHBondContact O-N 3.25Å; Q178-S180 PolarHBondContact O-N 3.23Å
179	S	36.8	Very low	44.5	Very low	128 Å²	128	115.5 Å²	115.5	90%	0.895	68%	0.676	S	S	*	*			trans	-63.8	108.5	161.3	53.6	0	0	0	0	109.7
180	S	35.1	Very low	44.6	Very low	95 Å²	95	117 Å²	117	66%	0.664	69%	0.685	S	S	*	*			trans	-142.9	115.2	154	51.5	0	0	0	0	107.8	Q178 E182	Q178-S180 PolarHBondContact O-N 3.23Å; S180-E182 PolarHBondContact O-N 3.46Å
181	A	38.5	Very low	44.8	Very low	113 Å²	113	114.1 Å²	114.1	93%	0.934	66%	0.661	S	S	*	*			trans	-67.3	78.6	-179.5	0	0	0	0	0	110.9
182	E	37.3	Very low	45.1	Very low	169 Å²	169	109.5 Å²	109.5	79%	0.79	63%	0.629	S	S	*	*			trans	-107	116.4	152.2	-74.2	-174.4	167.6	0	0	106.1	S180 S184	S180-E182 PolarHBondContact O-N 3.46Å; E182-S184 PolarHBondContact O-N 3.1Å
183	S	37.1	Very low	45.1	Very low	113 Å²	113	99.5 Å²	99.5	79%	0.79	60%	0.597	S	S	*	*			trans	-69.7	64.2	172.7	70.4	0	0	0	0	109.3	T185	S183-T185 VanDerWaalsContact C-N 3.28Å; S183-T185 PolarHBondContact O-N 3.3Å
184	S	42.4	Very low	45.6	Very low	84 Å²	84	96.9 Å²	96.9	59%	0.587	57%	0.567	S	S	*	*			trans	-63.5	101.5	162.6	101.8	0	0	0	0	104.2	E182 A186	E182-S184 PolarHBondContact O-N 3.1Å; S184-A186 VanDerWaalsContact C-N 3.26Å; S184-A186 PolarHBondContact O-N 3.21Å
185	T	46.8	Very low	46.1	Very low	84 Å²	84	93.2 Å²	93.2	52%	0.515	54%	0.537	S	S	.	.			trans	-72	95.3	176.3	-4.3	0	0	0	0	104.8	N150 S183 M187	N150-T185 PolarHBondContact ND2-OG1 3.39Å; S183-T185 VanDerWaalsContact C-N 3.28Å; S183-T185 PolarHBondContact O-N 3.3Å; T185-M187 PolarHBondContact O-N 2.91Å; T185-M187 VanDerWaalsContact O-N 3.08Å
186	A	52.7	Low	46.8	Very low	88 Å²	88	82.7 Å²	82.7	73%	0.727	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-52.7	120.2	175.7	0	0	0	0	0	108.1	S184 S188	S184-A186 VanDerWaalsContact C-N 3.26Å; S184-A186 PolarHBondContact O-N 3.21Å; A186-S188 PolarHBondContact O-N 3.33Å
187	M	50.7	Low	47.4	Very low	27 Å²	27	80.6 Å²	80.6	13%	0.133	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-52.6	133.8	177.1	-177.9	169.1	51.8	0	0	109.2	W164 W165 T185 Q191 A192 L195	W164-M187 HydrophobicContact CH2-CE 3.58Å; W164-M187 HydrophobicContact CH2-SD 4.46Å; W164-M187 HydrophobicContact CZ2-CE 4Å; W165-M187 HydrophobicContact CE3-CE 4.21Å; W165-M187 WeakPolarHBondContact CH2-O 3.2Å; W165-M187 HydrophobicContact CZ3-CE 3.76Å; T185-M187 PolarHBondContact O-N 2.91Å; T185-M187 VanDerWaalsContact O-N 3.08Å; M187-Q191 HydrophobicContact CG-CB 3.55Å; M187-Q191 HydrophobicContact SD-CB 4.42Å; M187-A192 HydrophobicContact CE-CB 3.72Å; M187-A192 HydrophobicContact CG-CB 4.22Å; M187-A192 HydrophobicContact SD-CB 4.09Å; M187-L195 HydrophobicContact SD-CD2 4.33Å
188	S	56.3	Low	48	Very low	41 Å²	41	73.2 Å²	73.2	29%	0.287	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.3	176.1	81.5	0	0	0	0	110.5	A186 E190 Q191 A192	A186-S188 PolarHBondContact O-N 3.33Å; S188-E190 PolarHBondContact O-N 2.86Å; S188-Q191 PolarHBondContact O-N 2.82Å; S188-Q191 VanDerWaalsContact O-N 3.12Å; S188-Q191 WeakPolarHBondContact OG-CG 3.42Å; S188-Q191 PolarHBondContact OG-N 2.81Å; S188-Q191 VanDerWaalsContact OG-N 3.15Å; S188-A192 PolarHBondContact O-N 3.26Å
189	E	52.6	Low	48.9	Very low	102 Å²	102	65.4 Å²	65.4	48%	0.477	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-34.4	175.7	172.8	151.8	-140.9	0	0	112.6	W165 K169 T193	W165-E189 HydrophobicContact CZ2-CB 4.09Å; W165-E189 VanDerWaalsContact NE1-CB 3.27Å; K169-E189 IonicContact NZ-OE1 3.94Å; K169-E189 PolarHBondContact NZ-OE1 3.14Å; K169-E189 IonicContact NZ-OE2 2.83Å; K169-E189 PolarHBondContact NZ-OE2 2.91Å; E189-T193 WeakPolarHBondContact O-CB 3.26Å; E189-T193 PolarHBondContact O-N 2.98Å; E189-T193 PolarHBondContact O-OG1 2.91Å
190	E	53.1	Low	49.7	Very low	113 Å²	113	59.7 Å²	59.7	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-49.4	174.6	-64.8	139.1	164.8	0	0	110.8	S188 A192 T193 L194	S188-E190 PolarHBondContact O-N 2.86Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.25Å; E190-T193 PolarHBondContact O-N 2.74Å; E190-L194 WeakPolarHBondContact O-CB 3.09Å; E190-L194 WeakPolarHBondContact O-CD1 3.47Å; E190-L194 WeakPolarHBondContact O-CG 3.32Å; E190-L194 PolarHBondContact O-N 3.47Å
191	Q	52.4	Low	50.6	Low	57 Å²	57	56.9 Å²	56.9	27%	0.266	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-40.6	178.3	-72.8	171.9	-26.5	0	0	112.2	A43 M187 S188 L194 L195	A43-Q191 HydrophobicContact CB-CG 4.49Å; M187-Q191 HydrophobicContact CG-CB 3.55Å; M187-Q191 HydrophobicContact SD-CB 4.42Å; S188-Q191 PolarHBondContact O-N 2.82Å; S188-Q191 VanDerWaalsContact O-N 3.12Å; S188-Q191 WeakPolarHBondContact OG-CG 3.42Å; S188-Q191 PolarHBondContact OG-N 2.81Å; S188-Q191 VanDerWaalsContact OG-N 3.15Å; Q191-L194 PolarHBondContact O-N 3.31Å; Q191-L195 WeakPolarHBondContact O-CB 3.35Å; Q191-L195 PolarHBondContact O-N 2.85Å
192	A	53.6	Low	51.4	Low	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-56.5	173.9	0	0	0	0	0	110.4	W164 W165 M187 S188 E190 L194 L195 E196	W164-A192 HydrophobicContact CH2-CB 4.02Å; W164-A192 HydrophobicContact CZ3-CB 3.72Å; W164-A192 VanDerWaalsContact CZ3-O 3.23Å; W164-A192 WeakPolarHBondContact CZ3-O 3.25Å; W165-A192 HydrophobicContact CB-CB 4.32Å; W165-A192 HydrophobicContact CD2-CB 3.32Å; W165-A192 HydrophobicContact CE3-CB 3.17Å; W165-A192 HydrophobicContact CG-CB 3.84Å; W165-A192 HydrophobicContact CH2-CB 4.15Å; W165-A192 HydrophobicContact CZ2-CB 4.26Å; W165-A192 HydrophobicContact CZ3-CB 3.62Å; M187-A192 HydrophobicContact CE-CB 3.72Å; M187-A192 HydrophobicContact CG-CB 4.22Å; M187-A192 HydrophobicContact SD-CB 4.09Å; S188-A192 PolarHBondContact O-N 3.26Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.25Å; A192-L194 PolarHBondContact O-N 3.45Å; A192-L194 VanDerWaalsContact O-N 3.15Å; A192-L195 PolarHBondContact O-N 3.49Å; A192-E196 WeakPolarHBondContact O-CB 3.21Å; A192-E196 PolarHBondContact O-N 2.88Å
193	T	52.9	Low	52.2	Low	56 Å²	56	45 Å²	45	34%	0.344	26%	0.264	S	S	.	.	H	α-helix	trans	-55.4	-37.3	179.9	-57.4	0	0	0	0	111.8	E189 E190 N197	E189-T193 WeakPolarHBondContact O-CB 3.26Å; E189-T193 PolarHBondContact O-N 2.98Å; E189-T193 PolarHBondContact O-OG1 2.91Å; E190-T193 PolarHBondContact O-N 2.74Å; T193-N197 WeakPolarHBondContact CG2-ND2 3.5Å; T193-N197 VanDerWaalsContact O-CB 3.31Å; T193-N197 WeakPolarHBondContact O-CB 3.41Å; T193-N197 VanDerWaalsContact O-CG 3.24Å; T193-N197 PolarHBondContact O-N 2.84Å; T193-N197 PolarHBondContact O-ND2 2.72Å
194	L	53.8	Low	52.8	Low	12 Å²	12	43.8 Å²	43.8	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-46.6	176.5	-69.2	163.5	0	0	0	111.9	F27 L31 A43 A44 E190 Q191 A192 F198	F27-L194 HydrophobicContact CD1-CD2 4.36Å; F27-L194 HydrophobicContact CE1-CB 3.91Å; F27-L194 HydrophobicContact CE1-CD2 3.24Å; F27-L194 HydrophobicContact CE1-CG 4.16Å; F27-L194 WeakPolarHBondContact CE1-O 3.12Å; F27-L194 HydrophobicContact CZ-CD2 3.55Å; L31-L194 HydrophobicContact CD1-CD2 3.33Å; L31-L194 HydrophobicContact CD2-CD2 4.48Å; L31-L194 HydrophobicContact CG-CD2 4.5Å; A43-L194 HydrophobicContact CB-CD1 4.03Å; A44-L194 HydrophobicContact CB-CD1 3.73Å; A44-L194 HydrophobicContact CB-CD2 3.61Å; A44-L194 HydrophobicContact CB-CG 4.22Å; E190-L194 WeakPolarHBondContact O-CB 3.09Å; E190-L194 WeakPolarHBondContact O-CD1 3.47Å; E190-L194 WeakPolarHBondContact O-CG 3.32Å; E190-L194 PolarHBondContact O-N 3.47Å; Q191-L194 PolarHBondContact O-N 3.31Å; A192-L194 PolarHBondContact O-N 3.45Å; A192-L194 VanDerWaalsContact O-N 3.15Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 2.78Å
195	L	55.2	Low	53.3	Low	3 Å²	3	44 Å²	44	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-42.5	177	177	51	0	0	0	111.8	F47 L147 W164 M187 Q191 A192 F198 F199	F47-L195 HydrophobicContact CE1-CB 4.06Å; F47-L195 HydrophobicContact CE1-CD1 3.72Å; F47-L195 HydrophobicContact CE1-CG 4.37Å; F47-L195 HydrophobicContact CE2-CB 4.02Å; F47-L195 HydrophobicContact CE2-CD1 4.37Å; F47-L195 HydrophobicContact CE2-CD2 4.09Å; F47-L195 HydrophobicContact CE2-CG 4.35Å; F47-L195 HydrophobicContact CZ-CB 3.55Å; F47-L195 HydrophobicContact CZ-CD1 3.28Å; F47-L195 HydrophobicContact CZ-CD2 3.76Å; F47-L195 HydrophobicContact CZ-CG 3.66Å; L147-L195 HydrophobicContact CD2-CD2 4.32Å; W164-L195 HydrophobicContact CH2-CD2 4.24Å; W164-L195 HydrophobicContact CH2-CG 4.49Å; M187-L195 HydrophobicContact SD-CD2 4.33Å; Q191-L195 WeakPolarHBondContact O-CB 3.35Å; Q191-L195 PolarHBondContact O-N 2.85Å; A192-L195 PolarHBondContact O-N 3.49Å; L195-F198 WeakPolarHBondContact O-CB 3.24Å; L195-F198 PolarHBondContact O-N 2.71Å; L195-F199 HydrophobicContact CD1-CD1 4.31Å; L195-F199 HydrophobicContact CD1-CD2 3.73Å; L195-F199 HydrophobicContact CD1-CE1 3.82Å; L195-F199 HydrophobicContact CD1-CE2 3.26Å; L195-F199 HydrophobicContact CD1-CG 4.25Å; L195-F199 HydrophobicContact CD1-CZ 3.31Å; L195-F199 HydrophobicContact CD2-CE2 3.81Å; L195-F199 HydrophobicContact CD2-CZ 4.22Å; L195-F199 HydrophobicContact CG-CD2 3.82Å; L195-F199 HydrophobicContact CG-CE2 3.35Å; L195-F199 HydrophobicContact CG-CZ 3.9Å; L195-F199 VanDerWaalsContact O-CD2 3.28Å; L195-F199 WeakPolarHBondContact O-CD2 3.37Å; L195-F199 WeakPolarHBondContact O-CG 3.48Å; L195-F199 PolarHBondContact O-N 2.62Å
196	E	54.9	Low	53.5	Low	24 Å²	24	41.6 Å²	41.6	11%	0.112	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-55.7	175	179.1	165.2	-154.7	0	0	111.2	Y161 W164 A192 F198 F199 L200	Y161-E196 HydrophobicContact CE2-CG 4.49Å; W164-E196 HydrophobicContact CE3-CB 3.74Å; W164-E196 HydrophobicContact CE3-CG 4.17Å; W164-E196 HydrophobicContact CZ3-CB 3.79Å; A192-E196 WeakPolarHBondContact O-CB 3.21Å; A192-E196 PolarHBondContact O-N 2.88Å; E196-F198 PolarHBondContact O-N 2.82Å; E196-F199 PolarHBondContact O-N 2.83Å; E196-F199 VanDerWaalsContact O-N 3.12Å; E196-L200 HydrophobicContact CG-CD1 3.72Å; E196-L200 WeakPolarHBondContact O-CD1 3.42Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.08Å
197	N	52.9	Low	53	Low	54 Å²	54	40.8 Å²	40.8	29%	0.289	20%	0.201	S	C	.	.	H	α-helix	trans	-55.6	-37.7	176.8	-78.8	-46.7	0	0	0	112.6	F27 T193 L201	F27-N197 HydrophobicContact CD2-CB 4.29Å; F27-N197 HydrophobicContact CE1-CB 4.22Å; F27-N197 HydrophobicContact CE2-CB 3.47Å; F27-N197 VanDerWaalsContact CE2-CB 3.47Å; F27-N197 HydrophobicContact CZ-CB 3.42Å; F27-N197 VanDerWaalsContact CZ-CB 3.42Å; T193-N197 WeakPolarHBondContact CG2-ND2 3.5Å; T193-N197 VanDerWaalsContact O-CB 3.31Å; T193-N197 WeakPolarHBondContact O-CB 3.41Å; T193-N197 VanDerWaalsContact O-CG 3.24Å; T193-N197 PolarHBondContact O-N 2.84Å; T193-N197 PolarHBondContact O-ND2 2.72Å; N197-L201 WeakPolarHBondContact O-CB 3.25Å; N197-L201 PolarHBondContact O-N 2.84Å
198	F	56	Low	52.8	Low	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-49.3	176.4	172.6	-94.2	0	0	0	112.2	G20 L23 V24 F53 F145 L194 L195 E196 L200 L201 R202	G20-F198 WeakPolarHBondContact O-CE2 3.32Å; G20-F198 WeakPolarHBondContact O-CZ 3.15Å; L23-F198 HydrophobicContact CB-CD2 4.35Å; L23-F198 HydrophobicContact CB-CE2 3.46Å; L23-F198 VanDerWaalsContact CB-CE2 3.46Å; L23-F198 HydrophobicContact CB-CZ 4.14Å; V24-F198 HydrophobicContact CB-CD2 3.89Å; V24-F198 HydrophobicContact CB-CE2 3.88Å; V24-F198 HydrophobicContact CG1-CD2 4.06Å; V24-F198 HydrophobicContact CG2-CD2 3.45Å; V24-F198 VanDerWaalsContact CG2-CD2 3.45Å; V24-F198 HydrophobicContact CG2-CE1 4.41Å; V24-F198 HydrophobicContact CG2-CE2 3.16Å; V24-F198 HydrophobicContact CG2-CG 4.15Å; V24-F198 HydrophobicContact CG2-CZ 3.7Å; V24-F198 VanDerWaalsContact N-CE2 3.28Å; F53-F198 AromaticContact CD1-CE1 3.81Å; F53-F198 HydrophobicContact CD1-CE1 3.81Å; F53-F198 AromaticContact CD1-CZ 3.96Å; F53-F198 HydrophobicContact CD1-CZ 3.96Å; F53-F198 AromaticContact CE1-CD1 3.83Å; F53-F198 HydrophobicContact CE1-CD1 3.83Å; F53-F198 AromaticContact CE1-CE1 3.05Å; F53-F198 HydrophobicContact CE1-CE1 3.05Å; F53-F198 AromaticContact CE1-CZ 3.52Å; F53-F198 HydrophobicContact CE1-CZ 3.52Å; F53-F198 HydrophobicContact CE2-CZ 4.37Å; F53-F198 AromaticContact CZ-CD1 3.95Å; F53-F198 HydrophobicContact CZ-CD1 3.95Å; F53-F198 AromaticContact CZ-CE1 3.46Å; F53-F198 HydrophobicContact CZ-CE1 3.46Å; F53-F198 VanDerWaalsContact CZ-CE1 3.46Å; F53-F198 HydrophobicContact CZ-CE2 4.45Å; F53-F198 AromaticContact CZ-CZ 3.71Å; F53-F198 HydrophobicContact CZ-CZ 3.71Å; F145-F198 HydrophobicContact CE1-CE1 4.24Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 2.78Å; L195-F198 WeakPolarHBondContact O-CB 3.24Å; L195-F198 PolarHBondContact O-N 2.71Å; E196-F198 PolarHBondContact O-N 2.82Å; F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 2.83Å; F198-L201 PolarHBondContact O-N 3.5Å; F198-R202 WeakPolarHBondContact O-CB 3.06Å; F198-R202 PolarHBondContact O-N 3.18Å
199	F	56.1	Low	52.4	Low	11 Å²	11	45.5 Å²	45.5	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-43.1	177.8	-75.8	-43.5	0	0	0	111.4	F112 F145 L195 E196 R202 A203	F112-F199 HydrophobicContact CE1-CB 3.5Å; F112-F199 VanDerWaalsContact CE1-CB 3.5Å; F112-F199 HydrophobicContact CE1-CD2 4.28Å; F112-F199 AromaticContact CE1-CG 3.93Å; F112-F199 HydrophobicContact CE1-CG 3.93Å; F112-F199 HydrophobicContact CZ-CB 3.49Å; F112-F199 VanDerWaalsContact CZ-CB 3.49Å; F112-F199 HydrophobicContact CZ-CG 4.32Å; F145-F199 AromaticContact CD1-CE1 3.91Å; F145-F199 HydrophobicContact CD1-CE1 3.91Å; F145-F199 HydrophobicContact CD2-CD1 4.34Å; F145-F199 AromaticContact CD2-CE1 3.43Å; F145-F199 HydrophobicContact CD2-CE1 3.43Å; F145-F199 VanDerWaalsContact CD2-CE1 3.43Å; F145-F199 HydrophobicContact CD2-CZ 4.06Å; F145-F199 HydrophobicContact CE1-CD1 4.04Å; F145-F199 AromaticContact CE1-CE1 3.68Å; F145-F199 HydrophobicContact CE1-CE1 3.68Å; F145-F199 AromaticContact CE2-CD1 3.6Å; F145-F199 HydrophobicContact CE2-CD1 3.6Å; F145-F199 AromaticContact CE2-CE1 3.14Å; F145-F199 HydrophobicContact CE2-CE1 3.14Å; F145-F199 HydrophobicContact CE2-CZ 4.1Å; F145-F199 AromaticContact CG-CE1 3.77Å; F145-F199 HydrophobicContact CG-CE1 3.77Å; F145-F199 HydrophobicContact CG-CZ 4.4Å; F145-F199 AromaticContact CZ-CD1 3.4Å; F145-F199 HydrophobicContact CZ-CD1 3.4Å; F145-F199 AromaticContact CZ-CE1 3.25Å; F145-F199 HydrophobicContact CZ-CE1 3.25Å; L195-F199 HydrophobicContact CD1-CD1 4.31Å; L195-F199 HydrophobicContact CD1-CD2 3.73Å; L195-F199 HydrophobicContact CD1-CE1 3.82Å; L195-F199 HydrophobicContact CD1-CE2 3.26Å; L195-F199 HydrophobicContact CD1-CG 4.25Å; L195-F199 HydrophobicContact CD1-CZ 3.31Å; L195-F199 HydrophobicContact CD2-CE2 3.81Å; L195-F199 HydrophobicContact CD2-CZ 4.22Å; L195-F199 HydrophobicContact CG-CD2 3.82Å; L195-F199 HydrophobicContact CG-CE2 3.35Å; L195-F199 HydrophobicContact CG-CZ 3.9Å; L195-F199 VanDerWaalsContact O-CD2 3.28Å; L195-F199 WeakPolarHBondContact O-CD2 3.37Å; L195-F199 WeakPolarHBondContact O-CG 3.48Å; L195-F199 PolarHBondContact O-N 2.62Å; E196-F199 PolarHBondContact O-N 2.83Å; E196-F199 VanDerWaalsContact O-N 3.12Å; F199-R202 PolarHBondContact O-N 3.48Å; F199-A203 WeakPolarHBondContact O-CB 3.46Å; F199-A203 PolarHBondContact O-N 2.81Å
200	L	54.6	Low	51.9	Low	7 Å²	7	43.5 Å²	43.5	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-47.8	177.4	-65.6	155.5	0	0	0	111.5	I110 F112 Y161 E196 F198 R202 A203 L204	I110-L200 HydrophobicContact CB-CD2 3.87Å; I110-L200 HydrophobicContact CD1-CD2 3.42Å; I110-L200 VanDerWaalsContact CD1-CD2 3.42Å; I110-L200 HydrophobicContact CG1-CD2 4.2Å; I110-L200 HydrophobicContact CG2-CD2 3.96Å; F112-L200 HydrophobicContact CE2-CD2 4.25Å; F112-L200 HydrophobicContact CZ-CD2 4.43Å; Y161-L200 HydrophobicContact CD1-CD2 4.44Å; Y161-L200 HydrophobicContact CD2-CD1 3.31Å; Y161-L200 HydrophobicContact CD2-CD2 3.45Å; Y161-L200 VanDerWaalsContact CD2-CD2 3.45Å; Y161-L200 HydrophobicContact CD2-CG 3.99Å; Y161-L200 HydrophobicContact CE2-CD1 2.93Å; Y161-L200 HydrophobicContact CE2-CD2 3.89Å; Y161-L200 HydrophobicContact CE2-CG 4.02Å; Y161-L200 HydrophobicContact CG-CD1 4.35Å; Y161-L200 HydrophobicContact CG-CD2 3.79Å; E196-L200 HydrophobicContact CG-CD1 3.72Å; E196-L200 WeakPolarHBondContact O-CD1 3.42Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.08Å; F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 2.83Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 3.29Å; L200-A203 PolarHBondContact O-N 3.28Å; L200-L204 WeakPolarHBondContact O-CB 3.37Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 2.88Å
201	L	53.6	Low	51.3	Low	37 Å²	37	40.3 Å²	40.3	19%	0.194	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-47.5	178.2	-178.5	70.1	0	0	0	111.2	L23 F27 N197 F198 A203 K205	L23-L201 HydrophobicContact CD2-CD2 4.36Å; L23-L201 HydrophobicContact CD2-CG 4.41Å; F27-L201 HydrophobicContact CB-CD2 4.28Å; N197-L201 WeakPolarHBondContact O-CB 3.25Å; N197-L201 PolarHBondContact O-N 2.84Å; F198-L201 PolarHBondContact O-N 3.5Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 2.91Å; L201-K205 WeakPolarHBondContact O-CB 3.29Å; L201-K205 PolarHBondContact O-N 3.18Å
202	R	54.5	Low	50.7	Low	30 Å²	30	39.2 Å²	39.2	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-49.7	179.3	177.3	172.1	-174	138.3	19.1	111.1	L23 D55 F198 F199 L200 K205 K206	L23-R202 HydrophobicContact CD1-CB 3.69Å; L23-R202 HydrophobicContact CD1-CG 3.61Å; D55-R202 IonicContact OD1-CZ 3.92Å; D55-R202 IonicContact OD1-NH1 2.61Å; D55-R202 PolarHBondContact OD1-NH1 2.81Å; D55-R202 IonicContact OD1-NH2 3.76Å; D55-R202 PolarHBondContact OD1-NH2 2.96Å; D55-R202 IonicContact OD2-CZ 2.92Å; D55-R202 IonicContact OD2-NH1 3.54Å; D55-R202 IonicContact OD2-NH2 2.66Å; D55-R202 PolarHBondContact OD2-NH2 2.81Å; F198-R202 WeakPolarHBondContact O-CB 3.06Å; F198-R202 PolarHBondContact O-N 3.18Å; F199-R202 PolarHBondContact O-N 3.48Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 3.29Å; R202-K205 PolarHBondContact O-N 2.68Å; R202-K206 PolarHBondContact O-N 2.76Å
203	A	53.3	Low	50.4	Low	3 Å²	3	44.5 Å²	44.5	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-79.2	-30.1	-168	0	0	0	0	0	110	V122 F124 F199 L200 L201 K206 F207	V122-A203 HydrophobicContact CB-CB 4.14Å; V122-A203 HydrophobicContact CG1-CB 3.62Å; V122-A203 HydrophobicContact CG2-CB 4.35Å; F124-A203 HydrophobicContact CE1-CB 4.38Å; F124-A203 HydrophobicContact CE2-CB 3.45Å; F124-A203 VanDerWaalsContact CE2-CB 3.45Å; F124-A203 WeakPolarHBondContact CE2-O 3.34Å; F124-A203 VanDerWaalsContact CZ-CA 3.47Å; F124-A203 HydrophobicContact CZ-CB 3.16Å; F124-A203 WeakPolarHBondContact CZ-O 3.34Å; F199-A203 WeakPolarHBondContact O-CB 3.46Å; F199-A203 PolarHBondContact O-N 2.81Å; L200-A203 PolarHBondContact O-N 3.28Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 2.91Å; A203-K206 PolarHBondContact O-N 2.9Å; A203-F207 VanDerWaalsContact O-CB 3.24Å; A203-F207 WeakPolarHBondContact O-CB 3.43Å; A203-F207 PolarHBondContact O-N 2.84Å
204	L	49.6	Very low	49.8	Very low	87 Å²	87	43.9 Å²	43.9	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-42.9	164.7	-76.9	169.4	0	0	0	112.4	I110 F124 L200 F207 A208	I110-L204 HydrophobicContact CD1-CD1 4.45Å; I110-L204 HydrophobicContact CD1-CD2 3.99Å; I110-L204 HydrophobicContact CD1-CG 3.95Å; F124-L204 HydrophobicContact CD1-CD2 4.39Å; F124-L204 HydrophobicContact CE1-CD2 3.92Å; F124-L204 HydrophobicContact CE1-CG 4.09Å; L200-L204 WeakPolarHBondContact O-CB 3.37Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 2.88Å; L204-F207 PolarHBondContact O-N 2.85Å; L204-A208 WeakPolarHBondContact O-CB 3.11Å; L204-A208 PolarHBondContact O-N 3.21Å
205	K	52.9	Low	49.3	Very low	88 Å²	88	45.1 Å²	45.1	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177.9	-166.8	-178.3	-177.7	-106.5	0	111.3	L23 L201 R202 F207 A208 E209	L23-K205 HydrophobicContact CD2-CD 3.74Å; L201-K205 WeakPolarHBondContact O-CB 3.29Å; L201-K205 PolarHBondContact O-N 3.18Å; R202-K205 PolarHBondContact O-N 2.68Å; K205-F207 VanDerWaalsContact C-N 3.34Å; K205-A208 WeakPolarHBondContact O-CB 2.91Å; K205-A208 PolarHBondContact O-N 2.82Å; K205-E209 WeakPolarHBondContact CE-OE1 3.35Å; K205-E209 IonicContact NZ-OE1 2.68Å; K205-E209 PolarHBondContact NZ-OE1 3.36Å; K205-E209 WeakPolarHBondContact O-CG 3.27Å; K205-E209 PolarHBondContact O-N 3.17Å
206	K	50.9	Low	49	Very low	34 Å²	34	51.2 Å²	51.2	15%	0.148	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-36.6	177.5	-170.4	53.5	166.5	161.1	0	111.7	E58 R202 A203 A208 E209 D210	E58-K206 VanDerWaalsContact CD-CE 3.41Å; E58-K206 WeakPolarHBondContact OE1-CE 3.23Å; E58-K206 IonicContact OE1-NZ 2.94Å; E58-K206 PolarHBondContact OE1-NZ 2.93Å; E58-K206 IonicContact OE2-NZ 2.88Å; E58-K206 PolarHBondContact OE2-NZ 3.18Å; R202-K206 PolarHBondContact O-N 2.76Å; A203-K206 PolarHBondContact O-N 2.9Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 2.85Å; K206-E209 HydrophobicContact CD-CB 4.48Å; K206-E209 PolarHBondContact O-N 3.25Å; K206-D210 VanDerWaalsContact CE-OD1 3.25Å; K206-D210 WeakPolarHBondContact CE-OD1 3.04Å; K206-D210 WeakPolarHBondContact CE-OD2 3.34Å; K206-D210 IonicContact NZ-OD1 2.84Å; K206-D210 PolarHBondContact NZ-OD1 2.87Å; K206-D210 IonicContact NZ-OD2 3.82Å; K206-D210 VanDerWaalsContact O-CB 3.32Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.02Å
207	F	43.9	Very low	48.6	Very low	70 Å²	70	55.8 Å²	55.8	31%	0.307	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-45.4	169.5	179.1	-103.3	0	0	0	111.2	F124 A139 A203 L204 K205 D210 T211	F124-F207 HydrophobicContact CB-CD2 3.74Å; F124-F207 HydrophobicContact CB-CE2 4.03Å; F124-F207 HydrophobicContact CB-CG 4.29Å; F124-F207 HydrophobicContact CD1-CB 4.01Å; F124-F207 HydrophobicContact CD1-CD2 4.37Å; F124-F207 HydrophobicContact CD1-CG 4.08Å; F124-F207 HydrophobicContact CD2-CB 4.17Å; F124-F207 HydrophobicContact CD2-CD2 4.37Å; F124-F207 HydrophobicContact CE1-CB 4.3Å; F124-F207 HydrophobicContact CG-CB 3.99Å; F124-F207 AromaticContact CG-CD2 3.85Å; F124-F207 HydrophobicContact CG-CD2 3.85Å; F124-F207 AromaticContact CG-CG 3.99Å; F124-F207 HydrophobicContact CG-CG 3.99Å; A139-F207 HydrophobicContact CB-CD2 3.49Å; A139-F207 VanDerWaalsContact CB-CD2 3.49Å; A139-F207 HydrophobicContact CB-CE2 3.7Å; A203-F207 VanDerWaalsContact O-CB 3.24Å; A203-F207 WeakPolarHBondContact O-CB 3.43Å; A203-F207 PolarHBondContact O-N 2.84Å; L204-F207 PolarHBondContact O-N 2.85Å; K205-F207 VanDerWaalsContact C-N 3.34Å; F207-D210 PolarHBondContact O-N 2.91Å; F207-T211 WeakPolarHBondContact O-CB 3.37Å; F207-T211 PolarHBondContact O-N 2.91Å; F207-T211 PolarHBondContact O-OG1 3.3Å
208	A	45.1	Very low	48	Very low	63 Å²	63	54.6 Å²	54.6	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-65.9	-35.3	176.6	0	0	0	0	0	113.3	L204 K205 K206	L204-A208 WeakPolarHBondContact O-CB 3.11Å; L204-A208 PolarHBondContact O-N 3.21Å; K205-A208 WeakPolarHBondContact O-CB 2.91Å; K205-A208 PolarHBondContact O-N 2.82Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 2.85Å
209	E	49.4	Very low	47.6	Very low	104 Å²	104	58.2 Å²	58.2	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-71.8	-39.7	175.9	-72.5	170.8	-176.1	0	0	112.8	K205 K206	K205-E209 WeakPolarHBondContact CE-OE1 3.35Å; K205-E209 IonicContact NZ-OE1 2.68Å; K205-E209 PolarHBondContact NZ-OE1 3.36Å; K205-E209 WeakPolarHBondContact O-CG 3.27Å; K205-E209 PolarHBondContact O-N 3.17Å; K206-E209 HydrophobicContact CD-CB 4.48Å; K206-E209 PolarHBondContact O-N 3.25Å
210	D	42.2	Very low	47.3	Very low	61 Å²	61	67 Å²	67	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-85.2	-17.2	-178.9	-69.9	-4.2	0	0	0	111.9	S60 H141 K206 F207 P212	S60-D210 WeakPolarHBondContact CB-OD2 3.38Å; S60-D210 PolarHBondContact OG-OD2 3.45Å; H141-D210 IonicContact CE1-OD2 3.08Å; H141-D210 PolarHBondContact CE1-OD2 3.26Å; H141-D210 IonicContact ND1-OD2 3.18Å; H141-D210 PolarHBondContact ND1-OD2 2.93Å; K206-D210 VanDerWaalsContact CE-OD1 3.25Å; K206-D210 WeakPolarHBondContact CE-OD1 3.04Å; K206-D210 WeakPolarHBondContact CE-OD2 3.34Å; K206-D210 IonicContact NZ-OD1 2.84Å; K206-D210 PolarHBondContact NZ-OD1 2.87Å; K206-D210 IonicContact NZ-OD2 3.82Å; K206-D210 VanDerWaalsContact O-CB 3.32Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.02Å; F207-D210 PolarHBondContact O-N 2.91Å; D210-P212 WeakPolarHBondContact O-CD 3.43Å
211	T	38.8	Very low	47.1	Very low	45 Å²	45	74 Å²	74	28%	0.276	38%	0.384	S	S	.	.	S	Bend	trans	-76.1	118	171.9	-62	0	0	0	0	108	F207 S213 L226	F207-T211 WeakPolarHBondContact O-CB 3.37Å; F207-T211 PolarHBondContact O-N 2.91Å; F207-T211 PolarHBondContact O-OG1 3.3Å; T211-S213 PolarHBondContact O-N 3.12Å; T211-L226 HydrophobicContact CG2-CD2 3.91Å
212	P	41	Very low	46.5	Very low	34 Å²	34	74.6 Å²	74.6	22%	0.221	39%	0.388	C	S	.	.			trans	-59.5	136.6	-177.3	-17.9	27.8	0	0	0	110.9	D210 S214 E217 L218 L226	D210-P212 WeakPolarHBondContact O-CD 3.43Å; P212-S214 PolarHBondContact O-N 2.7Å; P212-S214 VanDerWaalsContact O-N 3.16Å; P212-E217 WeakPolarHBondContact CA-OE2 3.43Å; P212-E217 HydrophobicContact CB-CB 3.59Å; P212-E217 WeakPolarHBondContact CB-OE2 3.14Å; P212-E217 HydrophobicContact CG-CB 4.48Å; P212-L218 HydrophobicContact CG-CD2 3.66Å; P212-L218 HydrophobicContact CG-CG 3.96Å; P212-L226 HydrophobicContact CB-CD1 3.85Å; P212-L226 HydrophobicContact CG-CD1 4.07Å; P212-L226 WeakPolarHBondContact O-CD1 3.08Å
213	S	46.1	Very low	45.9	Very low	111 Å²	111	77.5 Å²	77.5	78%	0.776	40%	0.399	S	S	*	.	S	Bend	trans	-66.5	-18.2	-177.5	65.7	0	0	0	0	112.2	T211 E217	T211-S213 PolarHBondContact O-N 3.12Å; S213-E217 PolarHBondContact N-OE2 3.11Å; S213-E217 PolarHBondContact OG-OE1 3.39Å; S213-E217 PolarHBondContact OG-OE2 3.15Å
214	S	41.8	Very low	45.4	Very low	43 Å²	43	83 Å²	83	30%	0.301	42%	0.424	S	S	.	.	S	Bend	trans	-139.6	140.7	-176.3	171.6	0	0	0	0	111	P212 H216 E217	P212-S214 PolarHBondContact O-N 2.7Å; P212-S214 VanDerWaalsContact O-N 3.16Å; S214-H216 PolarHBondContact O-N 2.95Å; S214-H216 PolarHBondContact OG-CD2 3.2Å; S214-H216 PolarHBondContact OG-N 2.78Å; S214-E217 WeakPolarHBondContact O-CB 3.49Å; S214-E217 PolarHBondContact O-N 3.04Å; S214-E217 VanDerWaalsContact O-N 3.09Å
215	V	42.9	Very low	44.9	Very low	38 Å²	38	80 Å²	80	23%	0.23	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-46.3	-33.6	169.4	132.9	0	0	0	0	112.3	E217 L218 R223 L226	V215-E217 VanDerWaalsContact C-N 3.31Å; V215-E217 PolarHBondContact O-N 3.22Å; V215-L218 PolarHBondContact O-N 3.34Å; V215-R223 HydrophobicContact CG1-CB 4.02Å; V215-R223 HydrophobicContact CG1-CG 4.47Å; V215-R223 WeakPolarHBondContact CG2-O 3.35Å; V215-R223 VanDerWaalsContact O-CG 3.28Å; V215-R223 WeakPolarHBondContact O-CG 3.5Å; V215-L226 HydrophobicContact CB-CB 4.26Å; V215-L226 HydrophobicContact CG2-CB 3.31Å
216	H	48.5	Very low	44.1	Very low	131 Å²	131	77.7 Å²	77.7	61%	0.606	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-74.1	-21.4	-173.3	-62.4	-59.2	0	0	0	114.3	S214 L218 R223	S214-H216 PolarHBondContact O-N 2.95Å; S214-H216 PolarHBondContact OG-CD2 3.2Å; S214-H216 PolarHBondContact OG-N 2.78Å; H216-L218 PolarHBondContact O-N 3.5Å; H216-R223 PolarHBondContact O-NE 2.91Å; H216-R223 PolarHBondContact O-NH2 3.16Å
217	E	46.5	Very low	43.3	Very low	121 Å²	121	80.8 Å²	80.8	57%	0.565	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-75.8	-15.9	176.9	-68.4	173.7	172.5	0	0	111.9	P212 S213 S214 V215	P212-E217 WeakPolarHBondContact CA-OE2 3.43Å; P212-E217 HydrophobicContact CB-CB 3.59Å; P212-E217 WeakPolarHBondContact CB-OE2 3.14Å; P212-E217 HydrophobicContact CG-CB 4.48Å; S213-E217 PolarHBondContact N-OE2 3.11Å; S213-E217 PolarHBondContact OG-OE1 3.39Å; S213-E217 PolarHBondContact OG-OE2 3.15Å; S214-E217 WeakPolarHBondContact O-CB 3.49Å; S214-E217 PolarHBondContact O-N 3.04Å; S214-E217 VanDerWaalsContact O-N 3.09Å; V215-E217 VanDerWaalsContact C-N 3.31Å; V215-E217 PolarHBondContact O-N 3.22Å
218	L	40.9	Very low	43.1	Very low	28 Å²	28	80.4 Å²	80.4	15%	0.147	42%	0.419	C	S	.	.	S	Bend	trans	-76.9	150.4	172.5	-74.8	177.4	0	0	0	112.4	P212 V215 H216 D222 R223 L226	P212-L218 HydrophobicContact CG-CD2 3.66Å; P212-L218 HydrophobicContact CG-CG 3.96Å; V215-L218 PolarHBondContact O-N 3.34Å; H216-L218 PolarHBondContact O-N 3.5Å; L218-D222 HydrophobicContact CB-CB 3.97Å; L218-D222 HydrophobicContact CD1-CB 4.07Å; L218-D222 VanDerWaalsContact CD1-O 3.31Å; L218-D222 WeakPolarHBondContact CD1-O 3.47Å; L218-D222 HydrophobicContact CD2-CB 4.27Å; L218-D222 HydrophobicContact CG-CB 4.36Å; L218-R223 HydrophobicContact CB-CG 4.24Å; L218-R223 PolarHBondContact O-NE 3.31Å; L218-L226 HydrophobicContact CD1-CB 3.81Å; L218-L226 HydrophobicContact CD1-CD1 3.27Å; L218-L226 HydrophobicContact CD1-CG 3.52Å; L218-L226 HydrophobicContact CD2-CD1 4.42Å; L218-L226 HydrophobicContact CG-CD1 3.56Å; L218-L226 HydrophobicContact CG-CG 4.35Å
219	P	46.2	Very low	42.5	Very low	77 Å²	77	79.8 Å²	79.8	50%	0.5	42%	0.418	S	S	.	.			trans	-47.4	143.4	163.7	-24.8	33.8	0	0	0	110.7	E221 D222 R223	P219-E221 PolarHBondContact O-N 3.09Å; P219-D222 WeakPolarHBondContact O-CA 3.42Å; P219-D222 WeakPolarHBondContact O-CB 3.24Å; P219-D222 PolarHBondContact O-N 3Å; P219-R223 WeakPolarHBondContact O-CG 3.14Å; P219-R223 PolarHBondContact O-N 3.33Å
220	Y	51.3	Low	41.5	Very low	195 Å²	195	79.6 Å²	79.6	77%	0.765	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-50	-39.5	-174.1	-178.8	-97.8	0	0	0	113.1	D222 R223	Y220-D222 PolarHBondContact O-N 3.04Å; Y220-R223 PolarHBondContact O-N 3.31Å
221	E	50.1	Low	40.8	Very low	153 Å²	153	83.8 Å²	83.8	72%	0.715	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-61.9	-30.9	178	-60	176.1	-167.5	0	0	112.8	P219 Q224 F225	P219-E221 PolarHBondContact O-N 3.09Å; E221-Q224 PolarHBondContact O-NE2 3Å; E221-F225 VanDerWaalsContact O-CE2 3.24Å; E221-F225 WeakPolarHBondContact O-CE2 3.46Å
222	D	40.9	Very low	40.3	Very low	51 Å²	51	89.5 Å²	89.5	27%	0.273	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-94.3	-12.1	-174.9	-65.1	-31.5	0	0	0	113.6	L218 P219 Y220 Q224 F225	L218-D222 HydrophobicContact CB-CB 3.97Å; L218-D222 HydrophobicContact CD1-CB 4.07Å; L218-D222 VanDerWaalsContact CD1-O 3.31Å; L218-D222 WeakPolarHBondContact CD1-O 3.47Å; L218-D222 HydrophobicContact CD2-CB 4.27Å; L218-D222 HydrophobicContact CG-CB 4.36Å; P219-D222 WeakPolarHBondContact O-CA 3.42Å; P219-D222 WeakPolarHBondContact O-CB 3.24Å; P219-D222 PolarHBondContact O-N 3Å; Y220-D222 PolarHBondContact O-N 3.04Å; D222-Q224 PolarHBondContact O-N 3.38Å; D222-Q224 VanDerWaalsContact O-N 3.15Å; D222-F225 VanDerWaalsContact CA-CD2 3.47Å; D222-F225 HydrophobicContact CB-CD2 4.31Å; D222-F225 WeakPolarHBondContact O-CB 3.31Å; D222-F225 WeakPolarHBondContact O-CD2 3.06Å; D222-F225 PolarHBondContact O-N 3.22Å; D222-F225 VanDerWaalsContact O-N 3.11Å
223	R	41.5	Very low	39.5	Very low	91 Å²	91	95.8 Å²	95.8	34%	0.343	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.3	-174.6	-65.8	-164.8	176.8	166.8	-6.3	114.7	V215 H216 L218 P219 Y220 F225	V215-R223 HydrophobicContact CG1-CB 4.02Å; V215-R223 HydrophobicContact CG1-CG 4.47Å; V215-R223 WeakPolarHBondContact CG2-O 3.35Å; V215-R223 VanDerWaalsContact O-CG 3.28Å; V215-R223 WeakPolarHBondContact O-CG 3.5Å; H216-R223 PolarHBondContact O-NE 2.91Å; H216-R223 PolarHBondContact O-NH2 3.16Å; L218-R223 HydrophobicContact CB-CG 4.24Å; L218-R223 PolarHBondContact O-NE 3.31Å; P219-R223 WeakPolarHBondContact O-CG 3.14Å; P219-R223 PolarHBondContact O-N 3.33Å; Y220-R223 PolarHBondContact O-N 3.31Å; R223-F225 PolarHBondContact O-N 3.47Å
224	Q	43.5	Very low	38.7	Very low	119 Å²	119	102.6 Å²	102.6	56%	0.556	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-72.4	-5.6	179.1	67.4	-168.2	-42.3	0	0	113.6	E221 D222 T227	E221-Q224 PolarHBondContact O-NE2 3Å; D222-Q224 PolarHBondContact O-N 3.38Å; D222-Q224 VanDerWaalsContact O-N 3.15Å; Q224-T227 PolarHBondContact O-OG1 2.95Å
225	F	39.5	Very low	38.5	Very low	22 Å²	22	105.6 Å²	105.6	10%	0.096	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-113.4	-10.6	-167.6	-49.9	-72.2	0	0	0	115.3	L64 Q66 F135 E221 D222 R223 F228	L64-F225 HydrophobicContact CD1-CB 4.13Å; L64-F225 HydrophobicContact CD2-CB 3.19Å; L64-F225 HydrophobicContact CD2-CD1 3.28Å; L64-F225 HydrophobicContact CD2-CD2 3.02Å; L64-F225 HydrophobicContact CD2-CE1 3.72Å; L64-F225 HydrophobicContact CD2-CE2 3.52Å; L64-F225 HydrophobicContact CD2-CG 2.9Å; L64-F225 HydrophobicContact CD2-CZ 3.84Å; L64-F225 HydrophobicContact CG-CB 4.29Å; L64-F225 HydrophobicContact CG-CD2 4.43Å; L64-F225 HydrophobicContact CG-CG 4.31Å; Q66-F225 HydrophobicContact CG-CE1 4.44Å; F135-F225 AromaticContact CD1-CD1 3.66Å; F135-F225 HydrophobicContact CD1-CD1 3.66Å; F135-F225 AromaticContact CD1-CE1 3.93Å; F135-F225 HydrophobicContact CD1-CE1 3.93Å; F135-F225 AromaticContact CE1-CD1 3.67Å; F135-F225 HydrophobicContact CE1-CD1 3.67Å; F135-F225 AromaticContact CE1-CE1 3.73Å; F135-F225 HydrophobicContact CE1-CE1 3.73Å; E221-F225 VanDerWaalsContact O-CE2 3.24Å; E221-F225 WeakPolarHBondContact O-CE2 3.46Å; D222-F225 VanDerWaalsContact CA-CD2 3.47Å; D222-F225 HydrophobicContact CB-CD2 4.31Å; D222-F225 WeakPolarHBondContact O-CB 3.31Å; D222-F225 WeakPolarHBondContact O-CD2 3.06Å; D222-F225 PolarHBondContact O-N 3.22Å; D222-F225 VanDerWaalsContact O-N 3.11Å; R223-F225 PolarHBondContact O-N 3.47Å; F225-F228 WeakPolarHBondContact O-CD2 3.34Å
226	L	35.5	Very low	38.3	Very low	40 Å²	40	109.1 Å²	109.1	21%	0.209	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-85.8	-5.1	176.1	-111	174.7	0	0	0	113.5	T211 P212 V215 L218 F228	T211-L226 HydrophobicContact CG2-CD2 3.91Å; P212-L226 HydrophobicContact CB-CD1 3.85Å; P212-L226 HydrophobicContact CG-CD1 4.07Å; P212-L226 WeakPolarHBondContact O-CD1 3.08Å; V215-L226 HydrophobicContact CB-CB 4.26Å; V215-L226 HydrophobicContact CG2-CB 3.31Å; L218-L226 HydrophobicContact CD1-CB 3.81Å; L218-L226 HydrophobicContact CD1-CD1 3.27Å; L218-L226 HydrophobicContact CD1-CG 3.52Å; L218-L226 HydrophobicContact CD2-CD1 4.42Å; L218-L226 HydrophobicContact CG-CD1 3.56Å; L218-L226 HydrophobicContact CG-CG 4.35Å; L226-F228 PolarHBondContact O-N 3.41Å
227	T	33.8	Very low	37.7	Very low	100 Å²	100	107.9 Å²	107.9	61%	0.613	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-63.6	4.8	169.4	28.1	0	0	0	0	113.6	Q224	Q224-T227 PolarHBondContact O-OG1 2.95Å
228	F	38.7	Very low	37.2	Very low	62 Å²	62	107.1 Å²	107.1	27%	0.272	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-100.9	3.5	-171.2	-63.1	-43.4	0	0	0	117.2	K128 M130 F135 F225 L226	K128-F228 HydrophobicContact CD-CB 4.2Å; K128-F228 HydrophobicContact CD-CD1 3.81Å; K128-F228 HydrophobicContact CD-CG 4.02Å; M130-F228 HydrophobicContact CE-CD1 4.45Å; M130-F228 HydrophobicContact CE-CE1 3.45Å; M130-F228 VanDerWaalsContact CE-CE1 3.45Å; M130-F228 HydrophobicContact CE-CZ 4.04Å; M130-F228 HydrophobicContact CG-CE1 4.34Å; M130-F228 HydrophobicContact CG-CZ 4.49Å; M130-F228 HydrophobicContact SD-CD1 4.13Å; M130-F228 HydrophobicContact SD-CE1 3.03Å; M130-F228 WeakPolarHBondContact SD-CE1 3.03Å; M130-F228 HydrophobicContact SD-CE2 4.21Å; M130-F228 HydrophobicContact SD-CZ 3.08Å; M130-F228 WeakPolarHBondContact SD-CZ 3.28Å; F135-F228 AromaticContact CD1-CE2 3.82Å; F135-F228 HydrophobicContact CD1-CE2 3.82Å; F135-F228 HydrophobicContact CD1-CZ 4.47Å; F135-F228 HydrophobicContact CE1-CE2 4.05Å; F135-F228 HydrophobicContact CE1-CZ 4.36Å; F135-F228 HydrophobicContact CG-CE2 4.14Å; F225-F228 WeakPolarHBondContact O-CD2 3.34Å; L226-F228 PolarHBondContact O-N 3.41Å
229	G	32.9	Very low	37	Very low	49 Å²	49	112.1 Å²	112.1	51%	0.505	57%	0.567	S	S	.	*	S	Bend	trans	-155.3	8.9	-175.7	0	0	0	0	0	119	D231	G229-D231 PolarHBondContact O-N 3.49Å; G229-D231 VanDerWaalsContact O-N 3.12Å
230	S	29.5	Very low	36.4	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-3.4	-174.5	59.4	0	0	0	0	115.8
231	D	27.9	Very low	35.3	Very low	150 Å²	150	108.6 Å²	108.6	80%	0.802	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	11.1	-175.9	-68.6	-6.7	0	0	0	114.1	G229	G229-D231 PolarHBondContact O-N 3.49Å; G229-D231 VanDerWaalsContact O-N 3.12Å
232	F	27.1	Very low	34.1	Very low	164 Å²	164	105.2 Å²	105.2	72%	0.719	55%	0.546	S	S	*	.			trans	-101.1	87.8	170.9	-80.3	-81.9	0	0	0	111.1	F234	F232-F234 HydrophobicContact CB-CD2 4.39Å; F232-F234 HydrophobicContact CB-CE2 4.13Å; F232-F234 PolarHBondContact O-N 3.23Å
233	D	24.6	Very low	33.6	Very low	167 Å²	167	109.8 Å²	109.8	89%	0.893	57%	0.568	S	S	*	*			trans	-60	115.4	156.6	-75.8	-34.4	0	0	0	108.6
234	F	28.6	Very low	32.9	Very low	253 Å²	253	111.5 Å²	111.5	100%	1.11	59%	0.589	S	S	*	*			trans	-99.9	0	171	-84.9	-76.7	0	0	0	111.8	F232	F232-F234 HydrophobicContact CB-CD2 4.39Å; F232-F234 HydrophobicContact CB-CE2 4.13Å; F232-F234 PolarHBondContact O-N 3.23Å

Retrieved 234 of 234 residues in 277.3 ms (Link to these results)

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