A0A077Z9T9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9T9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 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	28	Very low	34.9	Very low	248 Å²	248	107 Å²	107	100%	1.222	57%	0.572	S	S	*	*				0	97.4	0	-66.3	-174.8	-166.1	0	0	108.3	G3	M1-G3 PolarHBondContact O-N 3.22Å
2	L	28.9	Very low	35.9	Very low	136 Å²	136	104.3 Å²	104.3	71%	0.712	56%	0.558	S	S	*	*			trans	-78.7	103.4	171.2	-77.4	160.4	0	0	0	107.3	I4 E199	L2-I4 PolarHBondContact O-N 3.47Å; L2-E199 WeakPolarHBondContact CD1-OE2 3.18Å
3	G	26.4	Very low	36.6	Very low	65 Å²	65	96.8 Å²	96.8	67%	0.67	52%	0.517	S	S	*	.			trans	-63.7	118	176.7	0	0	0	0	0	108.9	M1 R5	M1-G3 PolarHBondContact O-N 3.22Å; G3-R5 PolarHBondContact O-N 3.49Å
4	I	30.5	Very low	37.1	Very low	147 Å²	147	91.3 Å²	91.3	75%	0.754	49%	0.487	S	S	*	.			trans	-48.6	110.8	159.7	-62.3	170.9	0	0	0	105.1	L2 S6	L2-I4 PolarHBondContact O-N 3.47Å; I4-S6 VanDerWaalsContact C-N 3.27Å; I4-S6 PolarHBondContact O-N 3.17Å
5	R	32.2	Very low	37.7	Very low	238 Å²	238	91.8 Å²	91.8	90%	0.898	49%	0.485	S	S	*	.			trans	-66.4	97.6	173.7	-80.9	-174.2	175.6	-176.1	0.8	105.5	G3 P7	G3-R5 PolarHBondContact O-N 3.49Å; R5-P7 WeakPolarHBondContact O-CD 3.17Å; R5-P7 VanDerWaalsContact O-N 3.12Å
6	S	35.8	Very low	38.2	Very low	64 Å²	64	90.1 Å²	90.1	45%	0.448	47%	0.47	S	S	.	.			trans	-49.4	121.4	168.5	-58.4	0	0	0	0	107.4	I4 I8	I4-S6 VanDerWaalsContact C-N 3.27Å; I4-S6 PolarHBondContact O-N 3.17Å; S6-I8 PolarHBondContact O-N 2.78Å
7	P	35.9	Very low	38.7	Very low	43 Å²	43	84.8 Å²	84.8	28%	0.279	44%	0.443	S	S	.	.			trans	-61.5	114.9	178.3	7.8	-10.2	0	0	0	107.9	R5 P9 R133 P152 F153	R5-P7 WeakPolarHBondContact O-CD 3.17Å; R5-P7 VanDerWaalsContact O-N 3.12Å; P7-P9 WeakPolarHBondContact O-CD 3.43Å; P7-R133 PolarHBondContact O-NH2 3.37Å; P7-P152 HydrophobicContact CG-CB 4.01Å; P7-F153 HydrophobicContact CG-CD1 4.4Å; P7-F153 HydrophobicContact CG-CE1 4.16Å
8	I	39.2	Very low	39	Very low	87 Å²	87	86.3 Å²	86.3	45%	0.446	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-60.7	119.7	176.5	-60.8	173.4	0	0	0	106.2	S6 T10 K103	S6-I8 PolarHBondContact O-N 2.78Å; I8-T10 PolarHBondContact O-N 2.89Å; I8-K103 HydrophobicContact CD1-CB 4.08Å
9	P	40	Very low	39.4	Very low	17 Å²	17	87.5 Å²	87.5	11%	0.11	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-59.5	118.8	177.6	21.6	-29.6	0	0	0	109	P7 Y13 L14 L108	P7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-Y13 HydrophobicContact CB-CD1 4.08Å; P9-L14 HydrophobicContact CB-CD2 4.18Å; P9-L14 HydrophobicContact CB-CG 4.28Å; P9-L108 WeakPolarHBondContact O-CD2 3.16Å
10	T	42.5	Very low	39.6	Very low	68 Å²	68	84.4 Å²	84.4	42%	0.417	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-77.1	160.9	174.4	62.7	0	0	0	0	109.8	I8 D12 Y13 L14	I8-T10 PolarHBondContact O-N 2.89Å; T10-D12 PolarHBondContact O-N 2.85Å; T10-Y13 WeakPolarHBondContact O-CB 3.46Å; T10-Y13 PolarHBondContact O-N 2.9Å; T10-Y13 VanDerWaalsContact O-N 3.14Å; T10-Y13 PolarHBondContact OG1-N 3.31Å; T10-Y13 VanDerWaalsContact OG1-N 3.16Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.09Å
11	L	44	Very low	39.7	Very low	64 Å²	64	80.5 Å²	80.5	34%	0.335	41%	0.412	S	S	.	.	H	α-helix	trans	-53.8	-41.5	173.8	-175.7	55.7	0	0	0	111.5	L14 Q15 L108 S111	L11-L14 PolarHBondContact O-N 3.5Å; L11-Q15 HydrophobicContact CD1-CG 4.28Å; L11-Q15 HydrophobicContact CG-CG 4.38Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 WeakPolarHBondContact O-CG 3.49Å; L11-Q15 PolarHBondContact O-N 3.34Å; L11-L108 HydrophobicContact CB-CD1 3.62Å; L11-L108 HydrophobicContact CD1-CD1 3.8Å; L11-L108 HydrophobicContact CG-CD1 4.24Å; L11-S111 WeakPolarHBondContact CD1-OG 3.42Å
12	D	46.7	Very low	40.4	Very low	75 Å²	75	72 Å²	72	40%	0.401	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-44.2	178.6	171.9	49.8	0	0	0	111.8	T10 L14 Q15 R16	T10-D12 PolarHBondContact O-N 2.85Å; D12-L14 PolarHBondContact O-N 3.38Å; D12-Q15 PolarHBondContact O-N 3.39Å; D12-R16 WeakPolarHBondContact O-CB 3.07Å; D12-R16 WeakPolarHBondContact O-CG 3.17Å; D12-R16 PolarHBondContact O-N 3.21Å; D12-R16 IonicContact OD1-NH1 2.98Å; D12-R16 PolarHBondContact OD1-NH1 2.76Å; D12-R16 IonicContact OD2-CZ 3.62Å; D12-R16 IonicContact OD2-NH1 2.62Å; D12-R16 PolarHBondContact OD2-NH1 2.69Å; D12-R16 IonicContact OD2-NH2 3.97Å
13	Y	45.3	Very low	41	Very low	7 Å²	7	71.8 Å²	71.8	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-47.9	172.7	-178.9	-83.5	0	0	0	111.6	P9 T10 R16 A17 R133 P155	P9-Y13 HydrophobicContact CB-CD1 4.08Å; T10-Y13 WeakPolarHBondContact O-CB 3.46Å; T10-Y13 PolarHBondContact O-N 2.9Å; T10-Y13 VanDerWaalsContact O-N 3.14Å; T10-Y13 PolarHBondContact OG1-N 3.31Å; T10-Y13 VanDerWaalsContact OG1-N 3.16Å; Y13-R16 PolarHBondContact O-N 3.02Å; Y13-A17 WeakPolarHBondContact O-CB 3.23Å; Y13-A17 PolarHBondContact O-N 3.28Å; Y13-R133 WeakPolarHBondContact OH-CD 3.25Å; Y13-P155 VanDerWaalsContact CE2-CD 3.43Å; Y13-P155 HydrophobicContact CE2-CG 4.41Å
14	L	44	Very low	41.6	Very low	19 Å²	19	70.1 Å²	70.1	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-43.8	-179	-67.4	173	0	0	0	112.2	P9 T10 L11 D12 R16 A17 E18 W60 L108 I112	P9-L14 HydrophobicContact CB-CD2 4.18Å; P9-L14 HydrophobicContact CB-CG 4.28Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.5Å; D12-L14 PolarHBondContact O-N 3.38Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 3.18Å; L14-A17 PolarHBondContact O-N 3.47Å; L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 PolarHBondContact O-N 3.14Å; L14-W60 HydrophobicContact CD1-CH2 4.19Å; L14-W60 HydrophobicContact CD1-CZ3 3.74Å; L14-W60 HydrophobicContact CD2-CE3 4.38Å; L14-W60 HydrophobicContact CD2-CZ3 3.7Å; L14-W60 HydrophobicContact CG-CZ3 4.34Å; L14-L108 HydrophobicContact CD1-CD1 4.3Å; L14-I112 HydrophobicContact CD1-CD1 3.98Å
15	Q	46.5	Very low	42.1	Very low	99 Å²	99	65 Å²	65	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-38.5	177	-74.9	176.8	-15.6	0	0	111.9	L11 D12 K19	L11-Q15 HydrophobicContact CD1-CG 4.28Å; L11-Q15 HydrophobicContact CG-CG 4.38Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 WeakPolarHBondContact O-CG 3.49Å; L11-Q15 PolarHBondContact O-N 3.34Å; D12-Q15 PolarHBondContact O-N 3.39Å; Q15-K19 WeakPolarHBondContact O-CB 3.41Å; Q15-K19 PolarHBondContact O-N 2.67Å
16	R	45.5	Very low	42.1	Very low	65 Å²	65	59.6 Å²	59.6	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-42.9	174.4	-73.4	-155.8	-60.8	-93.1	2.3	112	D12 Y13 L14 K19 F20 D154 P155	D12-R16 WeakPolarHBondContact O-CB 3.07Å; D12-R16 WeakPolarHBondContact O-CG 3.17Å; D12-R16 PolarHBondContact O-N 3.21Å; D12-R16 IonicContact OD1-NH1 2.98Å; D12-R16 PolarHBondContact OD1-NH1 2.76Å; D12-R16 IonicContact OD2-CZ 3.62Å; D12-R16 IonicContact OD2-NH1 2.62Å; D12-R16 PolarHBondContact OD2-NH1 2.69Å; D12-R16 IonicContact OD2-NH2 3.97Å; Y13-R16 PolarHBondContact O-N 3.02Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 3.18Å; R16-K19 PolarHBondContact O-N 2.96Å; R16-F20 WeakPolarHBondContact O-CB 3.3Å; R16-F20 PolarHBondContact O-N 3.27Å; R16-D154 IonicContact CZ-OD1 3.3Å; R16-D154 VanDerWaalsContact CZ-OD1 3.3Å; R16-D154 IonicContact NE-OD1 2.89Å; R16-D154 PolarHBondContact NE-OD1 3.46Å; R16-D154 IonicContact NH2-OD1 2.98Å; R16-D154 PolarHBondContact NH2-OD1 3.19Å; R16-D154 IonicContact NH2-OD2 3.85Å; R16-P155 HydrophobicContact CB-CG 3.92Å
17	A	45.8	Very low	41.9	Very low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-41	177.2	0	0	0	0	0	112.3	Y13 L14 F20 C21 F135 P155	Y13-A17 WeakPolarHBondContact O-CB 3.23Å; Y13-A17 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.47Å; A17-F20 WeakPolarHBondContact O-CB 3.49Å; A17-F20 PolarHBondContact O-N 3.22Å; A17-C21 PolarHBondContact O-N 3.23Å; A17-F135 HydrophobicContact CB-CD2 4.02Å; A17-F135 HydrophobicContact CB-CE1 3.97Å; A17-F135 HydrophobicContact CB-CE2 3.52Å; A17-F135 HydrophobicContact CB-CZ 3.49Å; A17-F135 VanDerWaalsContact CB-CZ 3.49Å; A17-P155 HydrophobicContact CB-CG 4.42Å
18	E	44.3	Very low	41.6	Very low	112 Å²	112	61.6 Å²	61.6	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-46.1	174.1	-177.1	-179.5	-167.1	0	0	111.6	L14 F20 C21 T22	L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 PolarHBondContact O-N 3.14Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.23Å; E18-C21 PolarHBondContact O-N 3.36Å; E18-T22 WeakPolarHBondContact O-CB 3.48Å; E18-T22 PolarHBondContact O-N 3.09Å; E18-T22 PolarHBondContact O-OG1 3.22Å
19	K	47.2	Very low	41.1	Very low	108 Å²	108	65.2 Å²	65.2	47%	0.47	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175.4	-175.4	179.6	179.9	-176.6	0	111.2	Q15 R16 C21 T22 E23	Q15-K19 WeakPolarHBondContact O-CB 3.41Å; Q15-K19 PolarHBondContact O-N 2.67Å; R16-K19 PolarHBondContact O-N 2.96Å; K19-C21 PolarHBondContact O-N 2.87Å; K19-T22 PolarHBondContact O-N 2.62Å; K19-T22 VanDerWaalsContact O-N 3.12Å; K19-E23 WeakPolarHBondContact CE-OE1 3.18Å; K19-E23 WeakPolarHBondContact CE-OE2 3.34Å; K19-E23 HydrophobicContact CG-CG 4.05Å; K19-E23 IonicContact NZ-OE1 2.67Å; K19-E23 WeakPolarHBondContact O-CB 3.31Å; K19-E23 PolarHBondContact O-N 2.85Å
20	F	43.7	Very low	40.5	Very low	25 Å²	25	66.8 Å²	66.8	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-56.1	-47.8	174.2	165.9	-107	0	0	0	112.3	R16 A17 E18 T22 T24 F146 C148 H150 L176	R16-F20 WeakPolarHBondContact O-CB 3.3Å; R16-F20 PolarHBondContact O-N 3.27Å; A17-F20 WeakPolarHBondContact O-CB 3.49Å; A17-F20 PolarHBondContact O-N 3.22Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.23Å; F20-T22 VanDerWaalsContact C-N 3.29Å; F20-T22 PolarHBondContact O-N 3.49Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 2.81Å; F20-T24 PolarHBondContact O-OG1 2.85Å; F20-F146 AromaticContact CE1-CE2 4Å; F20-F146 HydrophobicContact CE1-CE2 4Å; F20-C148 HydrophobicContact CE1-CB 3.76Å; F20-C148 HydrophobicContact CZ-CB 3.94Å; F20-C148 WeakPolarHBondContact CZ-SG 3.41Å; F20-H150 AromaticContact CD1-NE2 3.93Å; F20-H150 AromaticContact CE1-NE2 3.42Å; F20-H150 WeakPolarHBondContact CE1-NE2 3.5Å; F20-L176 HydrophobicContact CD2-CD1 3.53Å; F20-L176 HydrophobicContact CD2-CD2 3.78Å; F20-L176 HydrophobicContact CD2-CG 4.26Å; F20-L176 HydrophobicContact CE2-CD1 3.35Å; F20-L176 HydrophobicContact CE2-CD2 3.76Å; F20-L176 HydrophobicContact CE2-CG 4Å; F20-L176 HydrophobicContact CZ-CD1 4.38Å
21	C	42.2	Very low	39.7	Very low	3 Å²	3	67.2 Å²	67.2	2%	0.02	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-30.5	175.2	-80.2	0	0	0	0	113.5	A17 E18 K19 Y25 F135 C137 F146	A17-C21 PolarHBondContact O-N 3.23Å; E18-C21 PolarHBondContact O-N 3.36Å; K19-C21 PolarHBondContact O-N 2.87Å; C21-Y25 WeakPolarHBondContact O-CB 3.48Å; C21-Y25 WeakPolarHBondContact O-CD2 3.07Å; C21-F135 WeakPolarHBondContact SG-CD1 3.42Å; C21-F135 WeakPolarHBondContact SG-CE1 3.06Å; C21-C137 HydrophobicContact CB-CB 4.04Å; C21-C137 WeakPolarHBondContact CB-SG 3.48Å; C21-C137 WeakPolarHBondContact SG-CB 3.33Å; C21-C137 CovalentContact SG-SG 2.05Å; C21-C137 PolarHBondContact SG-SG 3.25Å; C21-F146 HydrophobicContact CB-CZ 4.07Å; C21-F146 WeakPolarHBondContact SG-CZ 3.45Å
22	T	42.1	Very low	38.8	Very low	69 Å²	69	69.1 Å²	69.1	42%	0.423	39%	0.392	S	S	.	.	H	α-helix	trans	-85.9	-42.9	-175	-50.8	0	0	0	0	112.1	E18 K19 F20	E18-T22 WeakPolarHBondContact O-CB 3.48Å; E18-T22 PolarHBondContact O-N 3.09Å; E18-T22 PolarHBondContact O-OG1 3.22Å; K19-T22 PolarHBondContact O-N 2.62Å; K19-T22 VanDerWaalsContact O-N 3.12Å; F20-T22 VanDerWaalsContact C-N 3.29Å; F20-T22 PolarHBondContact O-N 3.49Å
23	E	41.3	Very low	37.8	Very low	132 Å²	132	72.7 Å²	72.7	62%	0.617	41%	0.406	S	S	*	.	H	α-helix	trans	-75.7	-30.2	-176.5	-69.5	-175.4	159.9	0	0	113.1	K19	K19-E23 WeakPolarHBondContact CE-OE1 3.18Å; K19-E23 WeakPolarHBondContact CE-OE2 3.34Å; K19-E23 HydrophobicContact CG-CG 4.05Å; K19-E23 IonicContact NZ-OE1 2.67Å; K19-E23 WeakPolarHBondContact O-CB 3.31Å; K19-E23 PolarHBondContact O-N 2.85Å
24	T	39.4	Very low	36.9	Very low	31 Å²	31	79 Å²	79	19%	0.19	43%	0.43	C	S	.	.	H	α-helix	trans	-84	-20.5	-178.1	-45	0	0	0	0	112.5	F20	F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 2.81Å; F20-T24 PolarHBondContact O-OG1 2.85Å
25	Y	40.2	Very low	36.3	Very low	40 Å²	40	80.4 Å²	80.4	16%	0.157	44%	0.44	C	S	.	.			trans	-123.4	49	-164.6	-61.8	-89.2	0	0	0	114.8	C21 G27 F146 C148 Q163	C21-Y25 WeakPolarHBondContact O-CB 3.48Å; C21-Y25 WeakPolarHBondContact O-CD2 3.07Å; Y25-G27 PolarHBondContact O-N 2.87Å; Y25-F146 AromaticContact CD1-CD1 3.64Å; Y25-F146 HydrophobicContact CD1-CD1 3.64Å; Y25-F146 AromaticContact CD1-CE1 3.64Å; Y25-F146 HydrophobicContact CD1-CE1 3.64Å; Y25-F146 HydrophobicContact CD1-CG 4.48Å; Y25-F146 HydrophobicContact CD1-CZ 4.45Å; Y25-F146 HydrophobicContact CD2-CD1 4.17Å; Y25-F146 AromaticContact CD2-CE1 3.37Å; Y25-F146 HydrophobicContact CD2-CE1 3.37Å; Y25-F146 HydrophobicContact CD2-CE2 4.48Å; Y25-F146 AromaticContact CD2-CZ 3.5Å; Y25-F146 HydrophobicContact CD2-CZ 3.5Å; Y25-F146 HydrophobicContact CE1-CB 4.05Å; Y25-F146 AromaticContact CE1-CD1 3.15Å; Y25-F146 HydrophobicContact CE1-CD1 3.15Å; Y25-F146 HydrophobicContact CE1-CD2 4.29Å; Y25-F146 AromaticContact CE1-CE1 3.43Å; Y25-F146 HydrophobicContact CE1-CE1 3.43Å; Y25-F146 VanDerWaalsContact CE1-CE1 3.43Å; Y25-F146 HydrophobicContact CE1-CE2 4.48Å; Y25-F146 AromaticContact CE1-CG 3.58Å; Y25-F146 HydrophobicContact CE1-CG 3.58Å; Y25-F146 HydrophobicContact CE1-CZ 4.03Å; Y25-F146 AromaticContact CE2-CD1 3.74Å; Y25-F146 HydrophobicContact CE2-CD1 3.74Å; Y25-F146 HydrophobicContact CE2-CD2 4.1Å; Y25-F146 AromaticContact CE2-CE1 3.14Å; Y25-F146 HydrophobicContact CE2-CE1 3.14Å; Y25-F146 AromaticContact CE2-CE2 3.54Å; Y25-F146 HydrophobicContact CE2-CE2 3.54Å; Y25-F146 HydrophobicContact CE2-CG 4.13Å; Y25-F146 AromaticContact CE2-CZ 2.94Å; Y25-F146 HydrophobicContact CE2-CZ 2.94Å; Y25-F146 HydrophobicContact CG-CD1 4.11Å; Y25-F146 AromaticContact CG-CE1 3.6Å; Y25-F146 HydrophobicContact CG-CE1 3.6Å; Y25-F146 HydrophobicContact CG-CZ 4.21Å; Y25-F146 AromaticContact CZ-CD1 3.18Å; Y25-F146 AromaticContact CZ-CD2 3.57Å; Y25-F146 AromaticContact CZ-CE1 3.14Å; Y25-F146 AromaticContact CZ-CE2 3.51Å; Y25-F146 AromaticContact CZ-CG 3.33Å; Y25-F146 AromaticContact CZ-CZ 3.24Å; Y25-F146 WeakPolarHBondContact OH-CD1 3.18Å; Y25-F146 WeakPolarHBondContact OH-CD2 3.25Å; Y25-F146 WeakPolarHBondContact OH-CE2 3.3Å; Y25-F146 WeakPolarHBondContact OH-CG 3.3Å; Y25-F146 WeakPolarHBondContact OH-CZ 3.26Å; Y25-C148 PolarHBondContact OH-SG 3.5Å; Y25-C148 VanDerWaalsContact OH-SG 3.37Å; Y25-Q163 VanDerWaalsContact OH-CD 3.24Å; Y25-Q163 VanDerWaalsContact OH-CG 3.32Å; Y25-Q163 WeakPolarHBondContact OH-CG 3.44Å; Y25-Q163 PolarHBondContact OH-NE2 3.28Å
26	S	33.5	Very low	35.5	Very low	123 Å²	123	83.5 Å²	83.5	86%	0.86	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	28	178.2	51.9	0	0	0	0	115.6
27	G	31.3	Very low	34.8	Very low	60 Å²	60	86.8 Å²	86.8	62%	0.619	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-0.4	-160	0	0	0	0	0	121.3	Y25	Y25-G27 PolarHBondContact O-N 2.87Å
28	H	28.1	Very low	34.6	Very low	90 Å²	90	89 Å²	89	42%	0.417	48%	0.477	S	S	.	.			trans	-118.7	135.5	-170.2	-73.5	-98	0	0	0	114.6
29	N	29.8	Very low	34.4	Very low	162 Å²	162	89.9 Å²	89.9	87%	0.866	48%	0.479	S	S	*	.			trans	-106	99.6	177.3	-73.4	-29.6	0	0	0	108.8
30	G	27.3	Very low	34.1	Very low	51 Å²	51	85.3 Å²	85.3	53%	0.526	46%	0.459	S	S	.	.			trans	-62.4	160.7	-171.3	0	0	0	0	0	116.8
31	T	25.5	Very low	34.2	Very low	76 Å²	76	89.7 Å²	89.7	47%	0.466	48%	0.484	S	S	.	.			trans	-127.9	179.2	169.5	63	0	0	0	0	110.6	Q142	T31-Q142 VanDerWaalsContact C-CG 3.45Å; T31-Q142 WeakPolarHBondContact O-CB 2.77Å; T31-Q142 VanDerWaalsContact O-CG 3.23Å; T31-Q142 WeakPolarHBondContact O-CG 3.16Å; T31-Q142 PolarHBondContact OG1-NE2 2.94Å; T31-Q142 PolarHBondContact OG1-OE1 2.84Å
32	S	26.1	Very low	34.3	Very low	104 Å²	104	90.7 Å²	90.7	73%	0.727	49%	0.488	S	S	*	.			trans	-125.8	49.6	-150.2	-40.6	0	0	0	0	120.8	F141	S32-F141 CarbonylContact C-O 3.48Å
33	Q	24.2	Very low	34.5	Very low	151 Å²	151	88.2 Å²	88.2	71%	0.706	47%	0.472	S	S	*	.			trans	-155.2	118.3	177.5	-60.3	-170.3	-4.6	0	0	116.6	F141 Q142	Q33-F141 CarbonylContact C-O 3.49Å; Q33-F141 WeakPolarHBondContact CA-O 3.33Å; Q33-F141 PolarHBondContact N-O 3.36Å; Q33-Q142 HydrophobicContact CB-CG 4.39Å; Q33-Q142 VanDerWaalsContact N-CD 3.32Å; Q33-Q142 WeakPolarHBondContact O-CG 3.07Å
34	W	26.8	Very low	34.8	Very low	139 Å²	139	86 Å²	86	53%	0.527	46%	0.458	S	S	.	.			trans	-53.5	135.5	176.6	-85.7	60.8	0	0	0	114.3	K36 F64 F141	W34-K36 PolarHBondContact O-N 3.08Å; W34-F64 HydrophobicContact CH2-CZ 4.25Å; W34-F141 AromaticContact CD1-CD1 3.32Å; W34-F141 AromaticContact CD1-CE1 3.95Å; W34-F141 AromaticContact CD1-CG 3.97Å; W34-F141 PolarHBondContact N-O 3.5Å; W34-F141 VanDerWaalsContact N-O 3.14Å; W34-F141 AromaticContact NE1-CD1 3.25Å; W34-F141 VanDerWaalsContact NE1-CD1 3.25Å; W34-F141 AromaticContact NE1-CE1 3.56Å; W34-F141 AromaticContact NE1-CG 3.77Å
35	P	31.2	Very low	35.1	Very low	49 Å²	49	90.1 Å²	90.1	32%	0.318	48%	0.475	S	S	.	.			trans	-73.2	126.8	164.5	20.6	-17.2	0	0	0	110.1	Y37 W143	P35-Y37 PolarHBondContact O-N 3.35Å; P35-W143 HydrophobicContact CG-CB 3.75Å
36	K	30.4	Very low	35.3	Very low	163 Å²	163	89 Å²	89	71%	0.709	47%	0.472	S	S	*	.	S	Bend	trans	-63.3	-19.4	178.7	-80.1	-177.7	173.9	-179.9	0	114.2	W34	W34-K36 PolarHBondContact O-N 3.08Å
37	Y	30.4	Very low	35.7	Very low	134 Å²	134	84.4 Å²	84.4	53%	0.525	44%	0.437	S	S	.	.			trans	-145.5	138.8	-170.1	-50.5	-76.4	0	0	0	111.2	P35 A72	P35-Y37 PolarHBondContact O-N 3.35Å; Y37-A72 HydrophobicContact CD1-CB 4.44Å
38	I	41.2	Very low	36.3	Very low	46 Å²	46	89 Å²	89	24%	0.236	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.3	161.8	-55.3	173.7	0	0	0	106.5	I43 F66 Y73	I38-I43 HydrophobicContact CB-CD1 4.48Å; I38-I43 HydrophobicContact CG2-CD1 3.59Å; I38-I43 HydrophobicContact CG2-CG1 3.89Å; I38-F66 HydrophobicContact CD1-CE1 3.9Å; I38-F66 HydrophobicContact CD1-CZ 4.05Å; I38-Y73 PolarHBondContact O-N 2.75Å
39	K	40.3	Very low	36.9	Very low	132 Å²	132	86 Å²	86	57%	0.574	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.6	-178.9	-63.8	-179.2	178	178.4	0	109.3	D41 E42 I43	K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 3.26Å; K39-E42 HydrophobicContact CB-CG 4.11Å; K39-E42 WeakPolarHBondContact CB-OE2 3.23Å; K39-E42 PolarHBondContact N-OE2 3.15Å; K39-E42 PolarHBondContact O-N 3.19Å; K39-I43 PolarHBondContact O-N 3.19Å
40	E	41	Very low	37.6	Very low	12 Å²	12	83.1 Å²	83.1	6%	0.056	43%	0.428	C	S	.	.	H	α-helix	trans	-57.2	-41.6	178.7	-171	-168	162.3	0	0	112.5	E42 I43 R44 M52 F68 N71 Y73	E40-E42 PolarHBondContact O-N 3.2Å; E40-I43 PolarHBondContact O-N 2.93Å; E40-I43 VanDerWaalsContact O-N 3.09Å; E40-R44 HydrophobicContact CG-CG 4.44Å; E40-R44 PolarHBondContact O-N 3.21Å; E40-R44 IonicContact OE1-CZ 3.68Å; E40-R44 IonicContact OE1-NE 3.6Å; E40-R44 PolarHBondContact OE1-NE 2.8Å; E40-R44 IonicContact OE1-NH2 3.92Å; E40-R44 PolarHBondContact OE1-NH2 2.96Å; E40-M52 HydrophobicContact CG-CE 3.54Å; E40-M52 HydrophobicContact CG-CG 4.1Å; E40-M52 WeakPolarHBondContact OE1-CG 3.49Å; E40-F68 HydrophobicContact CB-CE2 4.28Å; E40-F68 VanDerWaalsContact CD-CE2 3.45Å; E40-F68 HydrophobicContact CG-CE2 3.9Å; E40-F68 WeakPolarHBondContact OE2-CE2 3.27Å; E40-F68 WeakPolarHBondContact OE2-CZ 3.18Å; E40-N71 WeakPolarHBondContact CB-O 2.82Å; E40-N71 WeakPolarHBondContact OE2-CA 3.28Å; E40-Y73 HydrophobicContact CB-CE2 4.42Å; E40-Y73 HydrophobicContact CG-CE2 4.2Å
41	D	46.6	Very low	38.3	Very low	117 Å²	117	84.6 Å²	84.6	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-58.7	-35.9	-179.9	-63.3	-25.2	0	0	0	112.7	K39 R44 E45	K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 3.26Å; D41-R44 PolarHBondContact O-N 2.8Å; D41-E45 VanDerWaalsContact O-CB 3.31Å; D41-E45 WeakPolarHBondContact O-CB 3.21Å; D41-E45 PolarHBondContact O-N 3.03Å
42	E	43.7	Very low	38.8	Very low	24 Å²	24	81.9 Å²	81.9	11%	0.112	41%	0.406	C	S	.	.	H	α-helix	trans	-69.4	-37.9	178.7	-63.9	168.5	146	0	0	110.9	K39 E40 L46 F164 R166	K39-E42 HydrophobicContact CB-CG 4.11Å; K39-E42 WeakPolarHBondContact CB-OE2 3.23Å; K39-E42 PolarHBondContact N-OE2 3.15Å; K39-E42 PolarHBondContact O-N 3.19Å; E40-E42 PolarHBondContact O-N 3.2Å; E42-L46 WeakPolarHBondContact O-CB 3.26Å; E42-L46 WeakPolarHBondContact O-CD1 3.32Å; E42-L46 WeakPolarHBondContact O-CG 3.03Å; E42-L46 PolarHBondContact O-N 2.94Å; E42-F164 HydrophobicContact CG-CE1 4.43Å; E42-R166 IonicContact OE1-CZ 3.64Å; E42-R166 VanDerWaalsContact OE1-CZ 3.25Å; E42-R166 IonicContact OE1-NE 3.46Å; E42-R166 PolarHBondContact OE1-NE 3.45Å; E42-R166 IonicContact OE1-NH2 3.29Å; E42-R166 PolarHBondContact OE1-NH2 2.67Å; E42-R166 IonicContact OE2-CZ 2.75Å; E42-R166 IonicContact OE2-NE 3.85Å; E42-R166 IonicContact OE2-NH2 3.66Å; E42-R166 PolarHBondContact OE2-NH2 3.3Å
43	I	45.7	Very low	39.2	Very low	17 Å²	17	81.6 Å²	81.6	9%	0.087	40%	0.404	C	S	.	.	H	α-helix	trans	-69.8	-41.9	174.1	-66.3	163.3	0	0	0	110.1	I38 K39 E40 E45 L46 M47 M52 F56 Y73	I38-I43 HydrophobicContact CB-CD1 4.48Å; I38-I43 HydrophobicContact CG2-CD1 3.59Å; I38-I43 HydrophobicContact CG2-CG1 3.89Å; K39-I43 PolarHBondContact O-N 3.19Å; E40-I43 PolarHBondContact O-N 2.93Å; E40-I43 VanDerWaalsContact O-N 3.09Å; I43-E45 VanDerWaalsContact C-N 3.34Å; I43-E45 PolarHBondContact O-N 3.46Å; I43-L46 WeakPolarHBondContact O-CB 3.28Å; I43-L46 PolarHBondContact O-N 3.33Å; I43-M47 HydrophobicContact CG2-CG 3.99Å; I43-M47 HydrophobicContact CG2-SD 3.78Å; I43-M47 VanDerWaalsContact O-CB 3.28Å; I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 VanDerWaalsContact O-CG 3.23Å; I43-M47 WeakPolarHBondContact O-CG 3.35Å; I43-M47 PolarHBondContact O-N 3.32Å; I43-M52 HydrophobicContact CB-CE 3.74Å; I43-M52 HydrophobicContact CG2-CE 3.54Å; I43-M52 HydrophobicContact CG2-SD 4.29Å; I43-F56 HydrophobicContact CG2-CE1 4.38Å; I43-F56 HydrophobicContact CG2-CZ 4.36Å; I43-Y73 HydrophobicContact CD1-CD2 3.29Å; I43-Y73 HydrophobicContact CD1-CE2 3.43Å; I43-Y73 VanDerWaalsContact CD1-CE2 3.43Å; I43-Y73 HydrophobicContact CD1-CG 4.16Å
44	R	47.7	Very low	39.6	Very low	85 Å²	85	75.9 Å²	75.9	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-58.3	-46.5	175.6	-74.5	175.6	177.3	-109.5	0.7	111.7	E40 D41 M47 D48 T49 S50 M52	E40-R44 HydrophobicContact CG-CG 4.44Å; E40-R44 PolarHBondContact O-N 3.21Å; E40-R44 IonicContact OE1-CZ 3.68Å; E40-R44 IonicContact OE1-NE 3.6Å; E40-R44 PolarHBondContact OE1-NE 2.8Å; E40-R44 IonicContact OE1-NH2 3.92Å; E40-R44 PolarHBondContact OE1-NH2 2.96Å; D41-R44 PolarHBondContact O-N 2.8Å; R44-M47 PolarHBondContact O-N 3Å; R44-D48 WeakPolarHBondContact O-CA 3.19Å; R44-D48 PolarHBondContact O-N 3.24Å; R44-T49 PolarHBondContact O-N 2.97Å; R44-S50 PolarHBondContact NH1-O 3.48Å; R44-M52 HydrophobicContact CG-CE 4Å; R44-M52 HydrophobicContact CG-CG 3.68Å; R44-M52 HydrophobicContact CG-SD 3.69Å
45	E	47.2	Very low	39.8	Very low	118 Å²	118	73.4 Å²	73.4	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-44.2	178.6	-174.9	175.1	-173.2	0	0	111.3	D41 I43 M47	D41-E45 VanDerWaalsContact O-CB 3.31Å; D41-E45 WeakPolarHBondContact O-CB 3.21Å; D41-E45 PolarHBondContact O-N 3.03Å; I43-E45 VanDerWaalsContact C-N 3.34Å; I43-E45 PolarHBondContact O-N 3.46Å; E45-M47 VanDerWaalsContact C-N 3.34Å; E45-M47 PolarHBondContact O-N 3.44Å
46	L	43.2	Very low	39.8	Very low	15 Å²	15	71.7 Å²	71.7	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-43.8	172.5	-83.3	168.7	0	0	0	111.3	E42 I43 A147 Y149 C162 F164	E42-L46 WeakPolarHBondContact O-CB 3.26Å; E42-L46 WeakPolarHBondContact O-CD1 3.32Å; E42-L46 WeakPolarHBondContact O-CG 3.03Å; E42-L46 PolarHBondContact O-N 2.94Å; I43-L46 WeakPolarHBondContact O-CB 3.28Å; I43-L46 PolarHBondContact O-N 3.33Å; L46-A147 HydrophobicContact CD1-CB 3.68Å; L46-A147 HydrophobicContact CD2-CB 3.98Å; L46-A147 HydrophobicContact CG-CB 4.47Å; L46-Y149 HydrophobicContact CB-CE2 3.71Å; L46-Y149 VanDerWaalsContact CB-OH 3.26Å; L46-Y149 WeakPolarHBondContact CB-OH 3.46Å; L46-Y149 HydrophobicContact CD2-CE2 4.23Å; L46-Y149 WeakPolarHBondContact O-CE2 3.45Å; L46-Y149 PolarHBondContact O-OH 3.44Å; L46-C162 HydrophobicContact CD2-CB 4.47Å; L46-C162 PolarHBondContact O-SG 3.25Å; L46-F164 HydrophobicContact CD1-CB 4.48Å; L46-F164 HydrophobicContact CD2-CB 3.7Å; L46-F164 HydrophobicContact CG-CB 4.14Å
47	M	41.1	Very low	39.7	Very low	27 Å²	27	69.4 Å²	69.4	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-80.1	-16.4	-173.7	-75.1	-168.2	68.6	0	0	114	I43 R44 E45 T49 M52 F56 V126 I134 Y149	I43-M47 HydrophobicContact CG2-CG 3.99Å; I43-M47 HydrophobicContact CG2-SD 3.78Å; I43-M47 VanDerWaalsContact O-CB 3.28Å; I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 VanDerWaalsContact O-CG 3.23Å; I43-M47 WeakPolarHBondContact O-CG 3.35Å; I43-M47 PolarHBondContact O-N 3.32Å; R44-M47 PolarHBondContact O-N 3Å; E45-M47 VanDerWaalsContact C-N 3.34Å; E45-M47 PolarHBondContact O-N 3.44Å; M47-T49 HydrophobicContact CB-CG2 3.6Å; M47-T49 HydrophobicContact CE-CG2 3.71Å; M47-T49 HydrophobicContact CG-CG2 4.31Å; M47-T49 PolarHBondContact O-N 3.34Å; M47-T49 HydrophobicContact SD-CG2 3.89Å; M47-M52 HydrophobicContact SD-SD 4.35Å; M47-F56 HydrophobicContact SD-CE1 4.29Å; M47-V126 HydrophobicContact CE-CB 4.34Å; M47-V126 HydrophobicContact CE-CG1 3.18Å; M47-V126 HydrophobicContact SD-CG1 4.03Å; M47-I134 HydrophobicContact CG-CD1 4.43Å; M47-Y149 VanDerWaalsContact CA-CZ 3.48Å; M47-Y149 WeakPolarHBondContact CA-OH 3.23Å; M47-Y149 HydrophobicContact CB-CE1 4.28Å; M47-Y149 HydrophobicContact CG-CE1 3.76Å; M47-Y149 WeakPolarHBondContact CG-OH 3.5Å; M47-Y149 PolarHBondContact N-OH 3.16Å
48	D	45.5	Very low	39.7	Very low	156 Å²	156	63.9 Å²	63.9	83%	0.834	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	46.9	-161.5	-168.4	27.1	0	0	0	111.5	R44	R44-D48 WeakPolarHBondContact O-CA 3.19Å; R44-D48 PolarHBondContact O-N 3.24Å
49	T	40.4	Very low	39.2	Very low	29 Å²	29	62.4 Å²	62.4	18%	0.178	33%	0.334	C	S	.	.			trans	-132.5	147.3	-179.8	-153.8	0	0	0	0	113.1	R44 M47 M52 Q128	R44-T49 PolarHBondContact O-N 2.97Å; M47-T49 HydrophobicContact CB-CG2 3.6Å; M47-T49 HydrophobicContact CE-CG2 3.71Å; M47-T49 HydrophobicContact CG-CG2 4.31Å; M47-T49 PolarHBondContact O-N 3.34Å; M47-T49 HydrophobicContact SD-CG2 3.89Å; T49-M52 HydrophobicContact CG2-SD 4.31Å; T49-Q128 PolarHBondContact OG1-NE2 3.3Å
50	S	44.9	Very low	38.7	Very low	100 Å²	100	59.2 Å²	59.2	70%	0.699	32%	0.318	S	S	*	.	S	Bend	trans	-97.5	-13.3	176.1	54.1	0	0	0	0	113.5	R44	R44-S50 PolarHBondContact NH1-O 3.48Å
51	D	41.9	Very low	38.2	Very low	83 Å²	83	59.2 Å²	59.2	44%	0.444	32%	0.319	S	S	.	.			trans	-103.7	112.1	-177.3	-175	3.6	0	0	0	111.4	S53	D51-S53 WeakPolarHBondContact OD1-CB 3.39Å; D51-S53 PolarHBondContact OD1-N 3.17Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 PolarHBondContact OD1-OG 2.87Å
52	M	35.7	Very low	37.4	Very low	18 Å²	18	56.5 Å²	56.5	9%	0.089	31%	0.305	C	S	.	.			trans	-109.9	11.8	-176.6	-65.4	-65.9	-85.5	0	0	112.7	E40 I43 R44 M47 T49 T54 Y73	E40-M52 HydrophobicContact CG-CE 3.54Å; E40-M52 HydrophobicContact CG-CG 4.1Å; E40-M52 WeakPolarHBondContact OE1-CG 3.49Å; I43-M52 HydrophobicContact CB-CE 3.74Å; I43-M52 HydrophobicContact CG2-CE 3.54Å; I43-M52 HydrophobicContact CG2-SD 4.29Å; R44-M52 HydrophobicContact CG-CE 4Å; R44-M52 HydrophobicContact CG-CG 3.68Å; R44-M52 HydrophobicContact CG-SD 3.69Å; M47-M52 HydrophobicContact SD-SD 4.35Å; T49-M52 HydrophobicContact CG2-SD 4.31Å; M52-T54 PolarHBondContact O-N 3.03Å; M52-Y73 HydrophobicContact CE-CE2 3.41Å; M52-Y73 VanDerWaalsContact CE-CE2 3.41Å; M52-Y73 WeakPolarHBondContact CE-OH 3.18Å
53	S	33.2	Very low	36.8	Very low	98 Å²	98	57.3 Å²	57.3	69%	0.685	31%	0.31	S	S	*	.			trans	-70.6	13.5	-176.3	62.1	0	0	0	0	115	D51	D51-S53 WeakPolarHBondContact OD1-CB 3.39Å; D51-S53 PolarHBondContact OD1-N 3.17Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 PolarHBondContact OD1-OG 2.87Å
54	T	34.5	Very low	36.3	Very low	32 Å²	32	57.5 Å²	57.5	20%	0.196	31%	0.31	C	S	.	.			trans	-109	134.4	-167.9	42.1	0	0	0	0	112.4	M52 F56 F127	M52-T54 PolarHBondContact O-N 3.03Å; T54-F56 WeakPolarHBondContact O-CD2 3.45Å; T54-F56 WeakPolarHBondContact O-CE2 3.12Å; T54-F127 WeakPolarHBondContact CG2-O 3.46Å
55	S	29.2	Very low	35.6	Very low	87 Å²	87	54.8 Å²	54.8	61%	0.608	30%	0.304	S	S	*	.			trans	-74.4	131.6	176.3	-57	0	0	0	0	110.9	F127	S55-F127 WeakPolarHBondContact O-CD2 3.45Å
56	F	32.7	Very low	35.1	Very low	13 Å²	13	51.1 Å²	51.1	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.3	176.4	-55.4	-96.4	0	0	0	110.3	I43 M47 T54 F66 Y73 F124 V126	I43-F56 HydrophobicContact CG2-CE1 4.38Å; I43-F56 HydrophobicContact CG2-CZ 4.36Å; M47-F56 HydrophobicContact SD-CE1 4.29Å; T54-F56 WeakPolarHBondContact O-CD2 3.45Å; T54-F56 WeakPolarHBondContact O-CE2 3.12Å; F56-F66 HydrophobicContact CB-CD2 4.07Å; F56-Y73 HydrophobicContact CD2-CD1 4.33Å; F56-Y73 AromaticContact CD2-CE1 3.66Å; F56-Y73 HydrophobicContact CD2-CE1 3.66Å; F56-Y73 HydrophobicContact CE2-CD1 4.3Å; F56-Y73 AromaticContact CE2-CE1 3.29Å; F56-Y73 HydrophobicContact CE2-CE1 3.29Å; F56-Y73 HydrophobicContact CE2-CE2 4.37Å; F56-Y73 AromaticContact CE2-CZ 3.32Å; F56-Y73 WeakPolarHBondContact CE2-OH 2.85Å; F56-Y73 HydrophobicContact CZ-CE1 4.26Å; F56-Y73 AromaticContact CZ-CZ 3.87Å; F56-Y73 WeakPolarHBondContact CZ-OH 3.19Å; F56-F124 HydrophobicContact CB-CD2 4.47Å; F56-F124 AromaticContact CD1-CD2 3.83Å; F56-F124 HydrophobicContact CD1-CD2 3.83Å; F56-F124 AromaticContact CD1-CE2 3.79Å; F56-F124 HydrophobicContact CD1-CE2 3.79Å; F56-F124 HydrophobicContact CE1-CE2 4.34Å; F56-V126 HydrophobicContact CD1-CG2 4.32Å; F56-V126 HydrophobicContact CE1-CG1 4.29Å; F56-V126 HydrophobicContact CE1-CG2 4.25Å
57	F	27.8	Very low	34.6	Very low	115 Å²	115	54.9 Å²	54.9	50%	0.504	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.9	174.5	-74.2	-101.7	0	0	0	110.8	L59 F124 D125 F127	F57-L59 PolarHBondContact O-N 3.01Å; F57-F124 WeakPolarHBondContact O-CA 3.36Å; F57-F124 WeakPolarHBondContact O-CB 3.33Å; F57-D125 PolarHBondContact O-N 3.47Å; F57-F127 HydrophobicContact CB-CE2 4.15Å; F57-F127 AromaticContact CD2-CD2 3.8Å; F57-F127 HydrophobicContact CD2-CD2 3.8Å; F57-F127 AromaticContact CD2-CE2 3.11Å; F57-F127 HydrophobicContact CD2-CE2 3.11Å; F57-F127 AromaticContact CD2-CZ 3.8Å; F57-F127 HydrophobicContact CD2-CZ 3.8Å; F57-F127 HydrophobicContact CE2-CD2 4.19Å; F57-F127 AromaticContact CE2-CE2 3.68Å; F57-F127 HydrophobicContact CE2-CE2 3.68Å; F57-F127 HydrophobicContact CE2-CZ 4.09Å; F57-F127 AromaticContact CG-CE2 3.93Å; F57-F127 HydrophobicContact CG-CE2 3.93Å; F57-F127 HydrophobicContact CG-CZ 4.45Å
58	L	29.9	Very low	34.1	Very low	17 Å²	17	58.5 Å²	58.5	9%	0.089	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	105.8	178.6	-163.8	137.3	0	0	0	110.7	W60 F64 Y102 F122	L58-W60 WeakPolarHBondContact CD2-O 3.04Å; L58-W60 PolarHBondContact O-N 3.29Å; L58-F64 HydrophobicContact CB-CB 4.03Å; L58-F64 HydrophobicContact CB-CD2 4.42Å; L58-F64 HydrophobicContact CD1-CB 4.06Å; L58-F64 HydrophobicContact CD1-CD2 3.61Å; L58-F64 HydrophobicContact CD1-CE2 4.35Å; L58-F64 HydrophobicContact CD1-CG 4.13Å; L58-F64 HydrophobicContact CD2-CD2 3.7Å; L58-F64 HydrophobicContact CD2-CE2 4.32Å; L58-F64 HydrophobicContact CG-CB 4.5Å; L58-F64 HydrophobicContact CG-CD2 4.08Å; L58-Y102 PolarHBondContact O-OH 2.89Å; L58-Y102 VanDerWaalsContact O-OH 3.07Å; L58-F122 HydrophobicContact CD1-CD2 4.43Å
59	L	30.7	Very low	33.8	Very low	16 Å²	16	55.8 Å²	55.8	8%	0.084	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	97.7	166.5	-52.2	172.8	0	0	0	107.1	F57 Y102 S123	F57-L59 PolarHBondContact O-N 3.01Å; L59-Y102 HydrophobicContact CD2-CD1 3.91Å; L59-Y102 HydrophobicContact CD2-CE1 3.2Å; L59-S123 CarbonylContact C-O 3.54Å; L59-S123 VanDerWaalsContact CA-O 3.25Å; L59-S123 WeakPolarHBondContact CA-O 3.32Å; L59-S123 WeakPolarHBondContact CB-O 3.36Å; L59-S123 VanDerWaalsContact CB-OG 3.25Å; L59-S123 WeakPolarHBondContact CB-OG 3.32Å; L59-S123 WeakPolarHBondContact CD1-OG 3.49Å; L59-S123 PolarHBondContact N-O 2.67Å; L59-S123 PolarHBondContact O-N 3.31Å; L59-S123 VanDerWaalsContact O-O 3.05Å
60	W	30.2	Very low	33.8	Very low	64 Å²	64	61 Å²	61	24%	0.242	33%	0.334	C	S	.	.	S	Bend	trans	123.3	126.4	157.6	-153.8	-76.4	0	0	0	116.9	L14 L58 F94 I112	L14-W60 HydrophobicContact CD1-CH2 4.19Å; L14-W60 HydrophobicContact CD1-CZ3 3.74Å; L14-W60 HydrophobicContact CD2-CE3 4.38Å; L14-W60 HydrophobicContact CD2-CZ3 3.7Å; L14-W60 HydrophobicContact CG-CZ3 4.34Å; L58-W60 WeakPolarHBondContact CD2-O 3.04Å; L58-W60 PolarHBondContact O-N 3.29Å; W60-F94 AromaticContact CZ2-CE2 3.96Å; W60-F94 HydrophobicContact CZ2-CE2 3.96Å; W60-F94 HydrophobicContact CZ2-CZ 4.32Å; W60-I112 HydrophobicContact CH2-CD1 3.96Å; W60-I112 HydrophobicContact CH2-CG2 3.78Å; W60-I112 HydrophobicContact CZ2-CG2 3.65Å
61	P	30.1	Very low	33.6	Very low	13 Å²	13	61.7 Å²	61.7	8%	0.084	33%	0.33	C	S	.	.	S	Bend		-105.8	43.3	-50.5	38.3	-17.3	0	0	0	109.2	F89 F94 Q97	P61-F89 HydrophobicContact CB-CD2 4.49Å; P61-F89 HydrophobicContact CB-CE1 4.02Å; P61-F89 HydrophobicContact CB-CE2 3.57Å; P61-F89 HydrophobicContact CB-CZ 3.25Å; P61-F89 HydrophobicContact CG-CD1 4.14Å; P61-F89 HydrophobicContact CG-CD2 4.05Å; P61-F89 HydrophobicContact CG-CE1 3.59Å; P61-F89 HydrophobicContact CG-CE2 3.56Å; P61-F89 HydrophobicContact CG-CG 4.3Å; P61-F89 HydrophobicContact CG-CZ 3.28Å; P61-F89 WeakPolarHBondContact O-CE2 3.45Å; P61-F94 HydrophobicContact CB-CD2 4.18Å; P61-Q97 PolarHBondContact O-NE2 2.77Å; P61-Q97 PolarHBondContact O-OE1 3.24Å
62	N	29.6	Very low	33.3	Very low	60 Å²	60	58.7 Å²	58.7	32%	0.321	32%	0.316	S	S	.	.	S	Bend	trans	-121.6	135	171.5	-78	-36.8	0	0	0	107.7	F64	N62-F64 HydrophobicContact CB-CD2 3.59Å; N62-F64 HydrophobicContact CB-CE2 3.37Å; N62-F64 HydrophobicContact CB-CG 4.5Å; N62-F64 HydrophobicContact CB-CZ 4.1Å; N62-F64 PolarHBondContact O-N 3.18Å
63	N	32.2	Very low	33.4	Very low	41 Å²	41	58.1 Å²	58.1	22%	0.219	31%	0.313	C	S	.	.			trans	-68.6	79	167.2	-66	-56.2	0	0	0	108	K101	N63-K101 WeakPolarHBondContact OD1-CE 3.48Å; N63-K101 PolarHBondContact OD1-NZ 3.31Å
64	F	33.9	Very low	33.7	Very low	21 Å²	21	55.8 Å²	55.8	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.9	160.6	-67.1	-79.8	0	0	0	107	W34 L58 N62 P75 Y77	W34-F64 HydrophobicContact CH2-CZ 4.25Å; L58-F64 HydrophobicContact CB-CB 4.03Å; L58-F64 HydrophobicContact CB-CD2 4.42Å; L58-F64 HydrophobicContact CD1-CB 4.06Å; L58-F64 HydrophobicContact CD1-CD2 3.61Å; L58-F64 HydrophobicContact CD1-CE2 4.35Å; L58-F64 HydrophobicContact CD1-CG 4.13Å; L58-F64 HydrophobicContact CD2-CD2 3.7Å; L58-F64 HydrophobicContact CD2-CE2 4.32Å; L58-F64 HydrophobicContact CG-CB 4.5Å; L58-F64 HydrophobicContact CG-CD2 4.08Å; N62-F64 HydrophobicContact CB-CD2 3.59Å; N62-F64 HydrophobicContact CB-CE2 3.37Å; N62-F64 HydrophobicContact CB-CG 4.5Å; N62-F64 HydrophobicContact CB-CZ 4.1Å; N62-F64 PolarHBondContact O-N 3.18Å; F64-P75 HydrophobicContact CD1-CB 3.82Å; F64-P75 HydrophobicContact CE1-CB 4.23Å; F64-Y77 HydrophobicContact CD1-CD1 4.4Å; F64-Y77 HydrophobicContact CD1-CE1 4.12Å; F64-Y77 HydrophobicContact CE1-CD1 4.14Å; F64-Y77 AromaticContact CE1-CE1 3.43Å; F64-Y77 HydrophobicContact CE1-CE1 3.43Å; F64-Y77 VanDerWaalsContact CE1-CE1 3.43Å; F64-Y77 HydrophobicContact CE1-CE2 4.14Å; F64-Y77 AromaticContact CE1-CZ 3.43Å; F64-Y77 VanDerWaalsContact CE1-CZ 3.43Å; F64-Y77 AromaticContact CZ-CE1 3.86Å; F64-Y77 HydrophobicContact CZ-CE1 3.86Å
65	S	34.8	Very low	33.9	Very low	28 Å²	28	56.2 Å²	56.2	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.1	150.6	61.8	0	0	0	0	106.5	T76 T78	S65-T76 PolarHBondContact N-O 2.84Å; S65-T76 VanDerWaalsContact N-O 3.12Å; S65-T76 CarbonylContact O-C 3.55Å; S65-T76 PolarHBondContact O-N 3.25Å; S65-T76 PolarHBondContact O-OG1 2.88Å; S65-T76 PolarHBondContact OG-O 3.15Å; S65-T76 PolarHBondContact OG-OG1 2.85Å; S65-T78 WeakPolarHBondContact OG-CG2 3.45Å
66	F	34.9	Very low	34.2	Very low	41 Å²	41	54 Å²	54	18%	0.18	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.1	160.3	-63.3	-88.3	0	0	0	107.6	I38 F56 Y73 P75	I38-F66 HydrophobicContact CD1-CE1 3.9Å; I38-F66 HydrophobicContact CD1-CZ 4.05Å; F56-F66 HydrophobicContact CB-CD2 4.07Å; F66-Y73 HydrophobicContact CB-CD1 3.59Å; F66-Y73 HydrophobicContact CB-CE1 4.5Å; F66-Y73 HydrophobicContact CB-CG 4.29Å; F66-Y73 HydrophobicContact CD1-CG 4.46Å; F66-Y73 HydrophobicContact CG-CD1 4.2Å; F66-P75 HydrophobicContact CD1-CB 4.28Å; F66-P75 HydrophobicContact CE1-CB 4.13Å
67	N	34	Very low	34.1	Very low	94 Å²	94	60.9 Å²	60.9	50%	0.503	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.7	162.1	-78.5	-20.6	0	0	0	107.4	D69 T74 T76	N67-D69 PolarHBondContact O-N 2.68Å; N67-T74 PolarHBondContact N-O 2.76Å; N67-T74 PolarHBondContact O-N 3.12Å; N67-T76 HydrophobicContact CB-CG2 3.96Å; N67-T76 WeakPolarHBondContact CB-OG1 3.07Å; N67-T76 PolarHBondContact N-OG1 2.05Å; N67-T76 PolarHBondContact ND2-OG1 2.79Å
68	F	30.6	Very low	34.3	Very low	102 Å²	102	58.7 Å²	58.7	45%	0.447	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.3	171.8	-172.9	-97.2	0	0	0	108.2	E40 Y73	E40-F68 HydrophobicContact CB-CE2 4.28Å; E40-F68 VanDerWaalsContact CD-CE2 3.45Å; E40-F68 HydrophobicContact CG-CE2 3.9Å; E40-F68 WeakPolarHBondContact OE2-CE2 3.27Å; E40-F68 WeakPolarHBondContact OE2-CZ 3.18Å; F68-Y73 HydrophobicContact CD2-CD1 4.41Å; F68-Y73 HydrophobicContact CD2-CE1 4.11Å; F68-Y73 HydrophobicContact CD2-CE2 4.46Å
69	D	38.5	Very low	34.1	Very low	100 Å²	100	66.6 Å²	66.6	54%	0.535	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.9	169.1	-171	12.5	0	0	0	108.6	N67 N71 A72	N67-D69 PolarHBondContact O-N 2.68Å; D69-N71 PolarHBondContact O-N 2.91Å; D69-A72 PolarHBondContact N-O 2.77Å; D69-A72 PolarHBondContact O-N 3.07Å; D69-A72 VanDerWaalsContact O-O 3.11Å
70	N	40.4	Very low	34	Very low	137 Å²	137	73 Å²	73	73%	0.733	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.2	54.8	175.5	-62.7	-50.7	0	0	0	115.4	A72	N70-A72 PolarHBondContact O-N 2.83Å
71	N	41.1	Very low	33.9	Very low	116 Å²	116	73.3 Å²	73.3	62%	0.62	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	18.5	175.3	-55.9	-12.2	0	0	0	115.7	E40 D69	E40-N71 WeakPolarHBondContact CB-O 2.82Å; E40-N71 WeakPolarHBondContact OE2-CA 3.28Å; D69-N71 PolarHBondContact O-N 2.91Å
72	A	35.8	Very low	33.6	Very low	19 Å²	19	78.6 Å²	78.6	16%	0.157	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.4	173.6	0	0	0	0	0	110.2	Y37 D69 N70 T74	Y37-A72 HydrophobicContact CD1-CB 4.44Å; D69-A72 PolarHBondContact N-O 2.77Å; D69-A72 PolarHBondContact O-N 3.07Å; D69-A72 VanDerWaalsContact O-O 3.11Å; N70-A72 PolarHBondContact O-N 2.83Å; A72-T74 PolarHBondContact O-N 2.79Å
73	Y	38.4	Very low	33.4	Very low	6 Å²	6	80.3 Å²	80.3	2%	0.024	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	109	165.2	-71.1	-79.6	0	0	0	107.9	I38 E40 I43 M52 F56 F66 F68	I38-Y73 PolarHBondContact O-N 2.75Å; E40-Y73 HydrophobicContact CB-CE2 4.42Å; E40-Y73 HydrophobicContact CG-CE2 4.2Å; I43-Y73 HydrophobicContact CD1-CD2 3.29Å; I43-Y73 HydrophobicContact CD1-CE2 3.43Å; I43-Y73 VanDerWaalsContact CD1-CE2 3.43Å; I43-Y73 HydrophobicContact CD1-CG 4.16Å; M52-Y73 HydrophobicContact CE-CE2 3.41Å; M52-Y73 VanDerWaalsContact CE-CE2 3.41Å; M52-Y73 WeakPolarHBondContact CE-OH 3.18Å; F56-Y73 HydrophobicContact CD2-CD1 4.33Å; F56-Y73 AromaticContact CD2-CE1 3.66Å; F56-Y73 HydrophobicContact CD2-CE1 3.66Å; F56-Y73 HydrophobicContact CE2-CD1 4.3Å; F56-Y73 AromaticContact CE2-CE1 3.29Å; F56-Y73 HydrophobicContact CE2-CE1 3.29Å; F56-Y73 HydrophobicContact CE2-CE2 4.37Å; F56-Y73 AromaticContact CE2-CZ 3.32Å; F56-Y73 WeakPolarHBondContact CE2-OH 2.85Å; F56-Y73 HydrophobicContact CZ-CE1 4.26Å; F56-Y73 AromaticContact CZ-CZ 3.87Å; F56-Y73 WeakPolarHBondContact CZ-OH 3.19Å; F66-Y73 HydrophobicContact CB-CD1 3.59Å; F66-Y73 HydrophobicContact CB-CE1 4.5Å; F66-Y73 HydrophobicContact CB-CG 4.29Å; F66-Y73 HydrophobicContact CD1-CG 4.46Å; F66-Y73 HydrophobicContact CG-CD1 4.2Å; F68-Y73 HydrophobicContact CD2-CD1 4.41Å; F68-Y73 HydrophobicContact CD2-CE1 4.11Å; F68-Y73 HydrophobicContact CD2-CE2 4.46Å
74	T	38.2	Very low	33.1	Very low	50 Å²	50	81 Å²	81	31%	0.307	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.9	168.6	-55.5	0	0	0	0	107.5	N67 A72 T76	N67-T74 PolarHBondContact N-O 2.76Å; N67-T74 PolarHBondContact O-N 3.12Å; A72-T74 PolarHBondContact O-N 2.79Å; T74-T76 PolarHBondContact O-N 3.39Å
75	P	38.5	Very low	32.7	Very low	40 Å²	40	85.4 Å²	85.4	26%	0.26	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	113.9	170.5	24	-30.3	0	0	0	108.5	F64 F66	F64-P75 HydrophobicContact CD1-CB 3.82Å; F64-P75 HydrophobicContact CE1-CB 4.23Å; F66-P75 HydrophobicContact CD1-CB 4.28Å; F66-P75 HydrophobicContact CE1-CB 4.13Å
76	T	35	Very low	32.3	Very low	40 Å²	40	92.5 Å²	92.5	25%	0.245	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.5	171.7	39.8	0	0	0	0	108.8	S65 N67 T74 T78	S65-T76 PolarHBondContact N-O 2.84Å; S65-T76 VanDerWaalsContact N-O 3.12Å; S65-T76 CarbonylContact O-C 3.55Å; S65-T76 PolarHBondContact O-N 3.25Å; S65-T76 PolarHBondContact O-OG1 2.88Å; S65-T76 PolarHBondContact OG-O 3.15Å; S65-T76 PolarHBondContact OG-OG1 2.85Å; N67-T76 HydrophobicContact CB-CG2 3.96Å; N67-T76 WeakPolarHBondContact CB-OG1 3.07Å; N67-T76 PolarHBondContact N-OG1 2.05Å; N67-T76 PolarHBondContact ND2-OG1 2.79Å; T74-T76 PolarHBondContact O-N 3.39Å; T76-T78 PolarHBondContact O-N 3.33Å
77	Y	32.1	Very low	32	Very low	159 Å²	159	96.3 Å²	96.3	62%	0.624	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	112.4	169.7	-67.5	-86	0	0	0	108.4	F64 E79	F64-Y77 HydrophobicContact CD1-CD1 4.4Å; F64-Y77 HydrophobicContact CD1-CE1 4.12Å; F64-Y77 HydrophobicContact CE1-CD1 4.14Å; F64-Y77 AromaticContact CE1-CE1 3.43Å; F64-Y77 HydrophobicContact CE1-CE1 3.43Å; F64-Y77 VanDerWaalsContact CE1-CE1 3.43Å; F64-Y77 HydrophobicContact CE1-CE2 4.14Å; F64-Y77 AromaticContact CE1-CZ 3.43Å; F64-Y77 VanDerWaalsContact CE1-CZ 3.43Å; F64-Y77 AromaticContact CZ-CE1 3.86Å; F64-Y77 HydrophobicContact CZ-CE1 3.86Å; Y77-E79 PolarHBondContact O-N 3.23Å
78	T	30.6	Very low	31.8	Very low	68 Å²	68	96.5 Å²	96.5	42%	0.417	53%	0.526	S	S	.	.			trans	-71.6	117.1	176.4	53.9	0	0	0	0	110.2	S65 T76 L80	S65-T78 WeakPolarHBondContact OG-CG2 3.45Å; T76-T78 PolarHBondContact O-N 3.33Å; T78-L80 PolarHBondContact O-N 2.87Å
79	E	27.4	Very low	32	Very low	184 Å²	184	95.4 Å²	95.4	86%	0.86	52%	0.521	S	S	*	.	S	Bend	trans	9.5	-12.6	163.7	-76.5	-174.9	149.5	0	0	124.1	Y77 C81	Y77-E79 PolarHBondContact O-N 3.23Å; E79-C81 PolarHBondContact O-N 3.37Å
80	L	27.8	Very low	31.8	Very low	149 Å²	149	94.8 Å²	94.8	78%	0.78	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	9.4	174.8	-83.7	167.7	0	0	0	114.1	T78	T78-L80 PolarHBondContact O-N 2.87Å
81	C	27.4	Very low	31.8	Very low	72 Å²	72	92.1 Å²	92.1	49%	0.486	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	75.3	165.2	-149.3	0	0	0	0	111.8	E79 S83 C84	E79-C81 PolarHBondContact O-N 3.37Å; C81-S83 PolarHBondContact O-N 3.31Å; C81-C84 HydrophobicContact CB-CB 4.46Å; C81-C84 WeakPolarHBondContact SG-CB 3.19Å; C81-C84 PolarHBondContact SG-SG 3.47Å
82	S	24.9	Very low	32	Very low	124 Å²	124	89.5 Å²	89.5	87%	0.867	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	1.7	176.7	50.5	0	0	0	0	115
83	S	26	Very low	32.2	Very low	95 Å²	95	90.8 Å²	90.8	66%	0.664	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.5	21.4	-175	71.6	0	0	0	0	117.1	C81 P85	C81-S83 PolarHBondContact O-N 3.31Å; S83-P85 WeakPolarHBondContact O-CD 3.48Å
84	C	25.6	Very low	32.5	Very low	56 Å²	56	91 Å²	91	38%	0.378	51%	0.506	S	S	.	.			trans	-114.2	94.9	176.8	-76.4	0	0	0	0	113.8	C81 H86 R87	C81-C84 HydrophobicContact CB-CB 4.46Å; C81-C84 WeakPolarHBondContact SG-CB 3.19Å; C81-C84 PolarHBondContact SG-SG 3.47Å; C84-H86 PolarHBondContact O-N 2.7Å; C84-R87 HydrophobicContact CB-CB 3.81Å
85	P	25.1	Very low	32.8	Very low	113 Å²	113	90.5 Å²	90.5	73%	0.734	51%	0.505	S	S	*	.	S	Bend	trans	-62.4	118.1	146.8	26.4	-29.8	0	0	0	108.4	S83 R87	S83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-R87 PolarHBondContact O-N 3.03Å; P85-R87 VanDerWaalsContact O-N 3.15Å
86	H	26	Very low	33.3	Very low	177 Å²	177	92.5 Å²	92.5	82%	0.819	52%	0.516	S	S	*	.	S	Bend	trans	47.2	46.3	168.7	-60.2	-80.7	0	0	0	116.6	C84 P88	C84-H86 PolarHBondContact O-N 2.7Å; H86-P88 VanDerWaalsContact O-CD 3.3Å; H86-P88 WeakPolarHBondContact O-CD 3.19Å
87	R	27.8	Very low	33.7	Very low	122 Å²	122	91.9 Å²	91.9	46%	0.46	51%	0.511	S	S	.	.			trans	-63.4	125.1	168.3	174.7	171.5	161.5	-169	-16	108.6	C84 P85 F89 L90 D93	C84-R87 HydrophobicContact CB-CB 3.81Å; P85-R87 PolarHBondContact O-N 3.03Å; P85-R87 VanDerWaalsContact O-N 3.15Å; R87-F89 PolarHBondContact O-N 2.75Å; R87-L90 VanDerWaalsContact NH2-CD1 3.33Å; R87-D93 IonicContact CZ-OD1 2.62Å; R87-D93 IonicContact CZ-OD2 3.73Å; R87-D93 IonicContact NE-OD2 3.67Å; R87-D93 IonicContact NH2-OD1 3.8Å; R87-D93 PolarHBondContact NH2-OD1 3.12Å; R87-D93 IonicContact NH2-OD2 3.68Å; R87-D93 PolarHBondContact NH2-OD2 3.24Å
88	P	29.7	Very low	34.2	Very low	98 Å²	98	84.7 Å²	84.7	64%	0.636	48%	0.483	S	S	*	.			trans	-56.8	131	169.5	-19.5	30.5	0	0	0	108.9	H86 L90	H86-P88 VanDerWaalsContact O-CD 3.3Å; H86-P88 WeakPolarHBondContact O-CD 3.19Å; P88-L90 PolarHBondContact O-N 3.06Å
89	F	35.6	Very low	35	Very low	78 Å²	78	84 Å²	84	34%	0.342	48%	0.481	S	S	.	.			trans	-59.3	112.1	176.7	-178	-105.6	0	0	0	109.7	P61 R87 D93 F94	P61-F89 HydrophobicContact CB-CD2 4.49Å; P61-F89 HydrophobicContact CB-CE1 4.02Å; P61-F89 HydrophobicContact CB-CE2 3.57Å; P61-F89 HydrophobicContact CB-CZ 3.25Å; P61-F89 HydrophobicContact CG-CD1 4.14Å; P61-F89 HydrophobicContact CG-CD2 4.05Å; P61-F89 HydrophobicContact CG-CE1 3.59Å; P61-F89 HydrophobicContact CG-CE2 3.56Å; P61-F89 HydrophobicContact CG-CG 4.3Å; P61-F89 HydrophobicContact CG-CZ 3.28Å; P61-F89 WeakPolarHBondContact O-CE2 3.45Å; R87-F89 PolarHBondContact O-N 2.75Å; F89-D93 HydrophobicContact CD2-CB 4.09Å; F89-D93 HydrophobicContact CE2-CB 3.87Å; F89-F94 HydrophobicContact CE1-CB 3.41Å; F89-F94 VanDerWaalsContact CE1-CB 3.41Å; F89-F94 AromaticContact CE1-CD2 3.77Å; F89-F94 HydrophobicContact CE1-CD2 3.77Å; F89-F94 HydrophobicContact CE1-CG 4Å; F89-F94 HydrophobicContact CE2-CB 4.45Å; F89-F94 HydrophobicContact CZ-CB 3.3Å; F89-F94 AromaticContact CZ-CD2 3.73Å; F89-F94 HydrophobicContact CZ-CD2 3.73Å; F89-F94 AromaticContact CZ-CG 3.99Å; F89-F94 HydrophobicContact CZ-CG 3.99Å; F89-F94 VanDerWaalsContact CZ-N 3.29Å
90	L	34.8	Very low	35.9	Very low	88 Å²	88	80.2 Å²	80.2	46%	0.461	47%	0.47	S	S	.	.			trans	-85.8	146	178.3	-59.2	-175.3	0	0	0	109.2	R87 P88 A92 D93 F94	R87-L90 VanDerWaalsContact NH2-CD1 3.33Å; P88-L90 PolarHBondContact O-N 3.06Å; L90-A92 PolarHBondContact O-N 2.8Å; L90-D93 WeakPolarHBondContact CB-OD2 3.29Å; L90-D93 PolarHBondContact N-OD2 2.71Å; L90-D93 VanDerWaalsContact N-OD2 3.12Å; L90-D93 WeakPolarHBondContact O-CA 3.23Å; L90-D93 WeakPolarHBondContact O-CB 3.11Å; L90-D93 PolarHBondContact O-N 3.24Å; L90-F94 PolarHBondContact O-N 2.96Å
91	T	40.2	Very low	36.7	Very low	81 Å²	81	78.6 Å²	78.6	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-48.2	-30.2	174.6	-57	0	0	0	0	114.1	F94 S95 V113	T91-F94 WeakPolarHBondContact O-CB 2.96Å; T91-S95 PolarHBondContact O-N 2.96Å; T91-S95 VanDerWaalsContact O-N 3.11Å; T91-S95 PolarHBondContact O-OG 2.9Å; T91-V113 HydrophobicContact CG2-CB 4.25Å; T91-V113 HydrophobicContact CG2-CG1 3.22Å; T91-V113 HydrophobicContact CG2-CG2 4.03Å
92	A	44.6	Very low	37.3	Very low	61 Å²	61	77.3 Å²	77.3	50%	0.504	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-36.3	175.6	0	0	0	0	0	113	L90 F94 S95 T96	L90-A92 PolarHBondContact O-N 2.8Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-S95 PolarHBondContact O-N 2.88Å; A92-T96 WeakPolarHBondContact O-CB 3.28Å; A92-T96 PolarHBondContact O-N 3.07Å; A92-T96 PolarHBondContact O-OG1 2.81Å
93	D	41.5	Very low	38.1	Very low	45 Å²	45	79.2 Å²	79.2	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-66.1	-39.4	176.5	-55.4	-41.6	0	0	0	109.7	R87 F89 L90 T96 Q97	R87-D93 IonicContact CZ-OD1 2.62Å; R87-D93 IonicContact CZ-OD2 3.73Å; R87-D93 IonicContact NE-OD2 3.67Å; R87-D93 IonicContact NH2-OD1 3.8Å; R87-D93 PolarHBondContact NH2-OD1 3.12Å; R87-D93 IonicContact NH2-OD2 3.68Å; R87-D93 PolarHBondContact NH2-OD2 3.24Å; F89-D93 HydrophobicContact CD2-CB 4.09Å; F89-D93 HydrophobicContact CE2-CB 3.87Å; L90-D93 WeakPolarHBondContact CB-OD2 3.29Å; L90-D93 PolarHBondContact N-OD2 2.71Å; L90-D93 VanDerWaalsContact N-OD2 3.12Å; L90-D93 WeakPolarHBondContact O-CA 3.23Å; L90-D93 WeakPolarHBondContact O-CB 3.11Å; L90-D93 PolarHBondContact O-N 3.24Å; D93-T96 PolarHBondContact O-N 3.49Å; D93-Q97 WeakPolarHBondContact O-CG 3.47Å; D93-Q97 PolarHBondContact O-N 3.16Å
94	F	43.3	Very low	38.9	Very low	11 Å²	11	75.1 Å²	75.1	5%	0.048	41%	0.407	C	S	.	.	H	α-helix	trans	-58.2	-54.6	171.8	-173.9	-101.9	0	0	0	113	W60 P61 F89 L90 T91 A92 T96 Q97 M98 I109 I112 V113	W60-F94 AromaticContact CZ2-CE2 3.96Å; W60-F94 HydrophobicContact CZ2-CE2 3.96Å; W60-F94 HydrophobicContact CZ2-CZ 4.32Å; P61-F94 HydrophobicContact CB-CD2 4.18Å; F89-F94 HydrophobicContact CE1-CB 3.41Å; F89-F94 VanDerWaalsContact CE1-CB 3.41Å; F89-F94 AromaticContact CE1-CD2 3.77Å; F89-F94 HydrophobicContact CE1-CD2 3.77Å; F89-F94 HydrophobicContact CE1-CG 4Å; F89-F94 HydrophobicContact CE2-CB 4.45Å; F89-F94 HydrophobicContact CZ-CB 3.3Å; F89-F94 AromaticContact CZ-CD2 3.73Å; F89-F94 HydrophobicContact CZ-CD2 3.73Å; F89-F94 AromaticContact CZ-CG 3.99Å; F89-F94 HydrophobicContact CZ-CG 3.99Å; F89-F94 VanDerWaalsContact CZ-N 3.29Å; L90-F94 PolarHBondContact O-N 2.96Å; T91-F94 WeakPolarHBondContact O-CB 2.96Å; A92-F94 VanDerWaalsContact C-N 3.32Å; F94-T96 PolarHBondContact O-N 2.85Å; F94-Q97 PolarHBondContact O-N 3.47Å; F94-M98 HydrophobicContact CD1-CG 4.07Å; F94-M98 HydrophobicContact CD2-CG 4.09Å; F94-M98 HydrophobicContact CE1-CG 3.75Å; F94-M98 HydrophobicContact CE2-CG 3.74Å; F94-M98 HydrophobicContact CE2-SD 4.22Å; F94-M98 HydrophobicContact CG-CG 4.25Å; F94-M98 HydrophobicContact CZ-CE 4.4Å; F94-M98 HydrophobicContact CZ-CG 3.57Å; F94-M98 HydrophobicContact CZ-SD 4.23Å; F94-M98 WeakPolarHBondContact O-CB 3.44Å; F94-M98 VanDerWaalsContact O-CG 3.32Å; F94-M98 WeakPolarHBondContact O-CG 3.21Å; F94-M98 PolarHBondContact O-N 2.92Å; F94-I109 HydrophobicContact CD1-CG2 4.01Å; F94-I109 HydrophobicContact CE1-CG2 3.95Å; F94-I112 HydrophobicContact CE1-CB 4.16Å; F94-I112 HydrophobicContact CE1-CG2 4.29Å; F94-I112 HydrophobicContact CE2-CG2 4.32Å; F94-I112 HydrophobicContact CZ-CB 3.89Å; F94-I112 HydrophobicContact CZ-CD1 4.17Å; F94-I112 HydrophobicContact CZ-CG2 3.64Å; F94-V113 HydrophobicContact CD1-CG2 3.31Å; F94-V113 HydrophobicContact CE1-CG2 3.61Å; F94-V113 HydrophobicContact CG-CG2 4.38Å
95	S	45.1	Very low	39.8	Very low	39 Å²	39	75.6 Å²	75.6	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-39.5	-175.4	-59	0	0	0	0	110.5	T91 A92 S99	T91-S95 PolarHBondContact O-N 2.96Å; T91-S95 VanDerWaalsContact O-N 3.11Å; T91-S95 PolarHBondContact O-OG 2.9Å; A92-S95 PolarHBondContact O-N 2.88Å; S95-S99 VanDerWaalsContact O-CB 3.25Å; S95-S99 WeakPolarHBondContact O-CB 3.4Å; S95-S99 PolarHBondContact O-N 3.47Å; S95-S99 PolarHBondContact O-OG 3.32Å
96	T	48.6	Very low	40.9	Very low	82 Å²	82	78.9 Å²	78.9	50%	0.503	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-48	177.5	-55.4	0	0	0	0	111.5	A92 D93 F94 S99 V100	A92-T96 WeakPolarHBondContact O-CB 3.28Å; A92-T96 PolarHBondContact O-N 3.07Å; A92-T96 PolarHBondContact O-OG1 2.81Å; D93-T96 PolarHBondContact O-N 3.49Å; F94-T96 PolarHBondContact O-N 2.85Å; T96-S99 PolarHBondContact O-N 3.03Å; T96-S99 PolarHBondContact O-OG 2.9Å; T96-V100 HydrophobicContact CG2-CG2 4.06Å; T96-V100 WeakPolarHBondContact O-CB 3.45Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.42Å; T96-V100 PolarHBondContact O-N 3.41Å
97	Q	44.1	Very low	41.9	Very low	28 Å²	28	77 Å²	77	13%	0.131	41%	0.409	C	S	.	.	I	π-helix	trans	-64.8	-46.1	179.2	-72.8	-172.5	29.8	0	0	112.1	P61 D93 F94 S99 K101 Y102	P61-Q97 PolarHBondContact O-NE2 2.77Å; P61-Q97 PolarHBondContact O-OE1 3.24Å; D93-Q97 WeakPolarHBondContact O-CG 3.47Å; D93-Q97 PolarHBondContact O-N 3.16Å; F94-Q97 PolarHBondContact O-N 3.47Å; Q97-S99 PolarHBondContact O-N 2.84Å; Q97-K101 WeakPolarHBondContact O-CA 3.19Å; Q97-K101 VanDerWaalsContact O-CB 3.3Å; Q97-K101 WeakPolarHBondContact O-CB 2.97Å; Q97-K101 PolarHBondContact O-N 3.12Å; Q97-Y102 WeakPolarHBondContact O-CD2 3.34Å; Q97-Y102 PolarHBondContact O-N 3.25Å; Q97-Y102 VanDerWaalsContact O-N 3.14Å
98	M	42.8	Very low	42.5	Very low	8 Å²	8	71.9 Å²	71.9	4%	0.039	39%	0.391	C	S	.	.	I	π-helix	trans	-61.7	-43.7	179.2	-69.4	-59.9	-73.2	0	0	111.7	F94 Y102 K103 A104 I109 I112	F94-M98 HydrophobicContact CD1-CG 4.07Å; F94-M98 HydrophobicContact CD2-CG 4.09Å; F94-M98 HydrophobicContact CE1-CG 3.75Å; F94-M98 HydrophobicContact CE2-CG 3.74Å; F94-M98 HydrophobicContact CE2-SD 4.22Å; F94-M98 HydrophobicContact CG-CG 4.25Å; F94-M98 HydrophobicContact CZ-CE 4.4Å; F94-M98 HydrophobicContact CZ-CG 3.57Å; F94-M98 HydrophobicContact CZ-SD 4.23Å; F94-M98 WeakPolarHBondContact O-CB 3.44Å; F94-M98 VanDerWaalsContact O-CG 3.32Å; F94-M98 WeakPolarHBondContact O-CG 3.21Å; F94-M98 PolarHBondContact O-N 2.92Å; M98-Y102 CarbonylContact O-C 3.37Å; M98-Y102 WeakPolarHBondContact O-CB 3.35Å; M98-Y102 PolarHBondContact O-N 3Å; M98-Y102 HydrophobicContact SD-CD2 3.87Å; M98-K103 PolarHBondContact O-N 3.47Å; M98-A104 HydrophobicContact CB-CB 3.97Å; M98-A104 HydrophobicContact CE-CB 3.83Å; M98-A104 VanDerWaalsContact O-CB 3.26Å; M98-A104 WeakPolarHBondContact O-CB 3.34Å; M98-A104 PolarHBondContact O-N 3.48Å; M98-I109 HydrophobicContact CB-CD1 3.66Å; M98-I109 HydrophobicContact CB-CG1 3.53Å; M98-I109 HydrophobicContact CG-CG1 4.36Å; M98-I112 HydrophobicContact CE-CD1 4.49Å
99	S	46.7	Very low	42.9	Very low	54 Å²	54	67.8 Å²	67.8	38%	0.378	36%	0.364	S	S	.	.	I	π-helix	trans	-77.4	-42.5	-179.1	59.3	0	0	0	0	113.8	S95 T96 Q97 K103	S95-S99 VanDerWaalsContact O-CB 3.25Å; S95-S99 WeakPolarHBondContact O-CB 3.4Å; S95-S99 PolarHBondContact O-N 3.47Å; S95-S99 PolarHBondContact O-OG 3.32Å; T96-S99 PolarHBondContact O-N 3.03Å; T96-S99 PolarHBondContact O-OG 2.9Å; Q97-S99 PolarHBondContact O-N 2.84Å; S99-K103 WeakPolarHBondContact O-CA 2.97Å; S99-K103 PolarHBondContact O-N 2.9Å
100	V	46.2	Very low	43.1	Very low	103 Å²	103	66.4 Å²	66.4	62%	0.624	37%	0.372	S	S	*	.	I	π-helix	trans	-87.9	-45.7	-171.4	-179.5	0	0	0	0	111.8	T96	T96-V100 HydrophobicContact CG2-CG2 4.06Å; T96-V100 WeakPolarHBondContact O-CB 3.45Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.42Å; T96-V100 PolarHBondContact O-N 3.41Å
101	K	44.1	Very low	43.4	Very low	116 Å²	116	63.9 Å²	63.9	50%	0.504	36%	0.361	S	S	.	.	I	π-helix	trans	-85.3	-47.5	-178	-67.9	-121.6	179	169.1	0	111.7	N63 Q97	N63-K101 WeakPolarHBondContact OD1-CE 3.48Å; N63-K101 PolarHBondContact OD1-NZ 3.31Å; Q97-K101 WeakPolarHBondContact O-CA 3.19Å; Q97-K101 VanDerWaalsContact O-CB 3.3Å; Q97-K101 WeakPolarHBondContact O-CB 2.97Å; Q97-K101 PolarHBondContact O-N 3.12Å
102	Y	40.2	Very low	43.3	Very low	44 Å²	44	61.3 Å²	61.3	17%	0.173	34%	0.344	C	S	.	.	S	Bend	trans	-95	-5.8	-174.3	-58.8	-62.2	0	0	0	114.3	L58 L59 Q97 M98 A104	L58-Y102 PolarHBondContact O-OH 2.89Å; L58-Y102 VanDerWaalsContact O-OH 3.07Å; L59-Y102 HydrophobicContact CD2-CD1 3.91Å; L59-Y102 HydrophobicContact CD2-CE1 3.2Å; Q97-Y102 WeakPolarHBondContact O-CD2 3.34Å; Q97-Y102 PolarHBondContact O-N 3.25Å; Q97-Y102 VanDerWaalsContact O-N 3.14Å; M98-Y102 CarbonylContact O-C 3.37Å; M98-Y102 WeakPolarHBondContact O-CB 3.35Å; M98-Y102 PolarHBondContact O-N 3Å; M98-Y102 HydrophobicContact SD-CD2 3.87Å; Y102-A104 PolarHBondContact O-N 3.47Å; Y102-A104 VanDerWaalsContact O-N 3.08Å
103	K	43.1	Very low	42.9	Very low	164 Å²	164	60.8 Å²	60.8	71%	0.713	33%	0.334	S	S	*	.			trans	51.8	29.7	-177.3	-59.8	-177.8	178.7	177.2	0	113.4	I8 M98 S99	I8-K103 HydrophobicContact CD1-CB 4.08Å; M98-K103 PolarHBondContact O-N 3.47Å; S99-K103 WeakPolarHBondContact O-CA 2.97Å; S99-K103 PolarHBondContact O-N 2.9Å
104	A	41.8	Very low	42.5	Very low	10 Å²	10	62 Å²	62	8%	0.083	36%	0.358	C	S	.	.			trans	-63.4	144.1	174.9	0	0	0	0	0	110.8	M98 Y102 L108 I109	M98-A104 HydrophobicContact CB-CB 3.97Å; M98-A104 HydrophobicContact CE-CB 3.83Å; M98-A104 VanDerWaalsContact O-CB 3.26Å; M98-A104 WeakPolarHBondContact O-CB 3.34Å; M98-A104 PolarHBondContact O-N 3.48Å; Y102-A104 PolarHBondContact O-N 3.47Å; Y102-A104 VanDerWaalsContact O-N 3.08Å; A104-L108 HydrophobicContact CB-CD2 3.88Å; A104-L108 HydrophobicContact CB-CG 4.44Å; A104-I109 HydrophobicContact CB-CD1 4.34Å; A104-I109 HydrophobicContact CB-CG1 4.09Å
105	S	43.6	Very low	42.1	Very low	66 Å²	66	68 Å²	68	46%	0.462	38%	0.384	S	S	.	.			trans	-67.3	151.5	174.6	69.1	0	0	0	0	111	D107 L108 I109	S105-D107 PolarHBondContact O-N 3.38Å; S105-L108 WeakPolarHBondContact O-CB 3.14Å; S105-L108 PolarHBondContact O-N 3.46Å; S105-L108 VanDerWaalsContact O-N 3.13Å; S105-L108 WeakPolarHBondContact OG-CB 3.25Å; S105-L108 PolarHBondContact OG-N 2.92Å; S105-I109 WeakPolarHBondContact O-CG1 3.39Å; S105-I109 PolarHBondContact O-N 2.78Å
106	K	48.7	Very low	41.3	Very low	182 Å²	182	73 Å²	73	79%	0.791	40%	0.403	S	S	*	.	H	α-helix	trans	-57.3	-34	175.1	-71.4	-176.1	177.7	179.7	0	112	I109 G110	K106-I109 PolarHBondContact O-N 2.85Å; K106-G110 PolarHBondContact O-N 3.5Å
107	D	48.2	Very low	40.5	Very low	137 Å²	137	72.5 Å²	72.5	73%	0.733	40%	0.401	S	S	*	.	H	α-helix	trans	-66	-43.1	177.4	-57.9	-26.2	0	0	0	111.6	S105 G110 S111	S105-D107 PolarHBondContact O-N 3.38Å; D107-G110 PolarHBondContact O-N 3.32Å; D107-S111 WeakPolarHBondContact O-CB 3.41Å; D107-S111 PolarHBondContact O-N 3.43Å
108	L	40.1	Very low	39.7	Very low	14 Å²	14	80.9 Å²	80.9	7%	0.073	43%	0.432	C	S	.	.	H	α-helix	trans	-60.5	-48.3	174.2	175.9	59.4	0	0	0	110.4	P9 L11 L14 A104 S105 G110 S111 I112	P9-L108 WeakPolarHBondContact O-CD2 3.16Å; L11-L108 HydrophobicContact CB-CD1 3.62Å; L11-L108 HydrophobicContact CD1-CD1 3.8Å; L11-L108 HydrophobicContact CG-CD1 4.24Å; L14-L108 HydrophobicContact CD1-CD1 4.3Å; A104-L108 HydrophobicContact CB-CD2 3.88Å; A104-L108 HydrophobicContact CB-CG 4.44Å; S105-L108 WeakPolarHBondContact O-CB 3.14Å; S105-L108 PolarHBondContact O-N 3.46Å; S105-L108 VanDerWaalsContact O-N 3.13Å; S105-L108 WeakPolarHBondContact OG-CB 3.25Å; S105-L108 PolarHBondContact OG-N 2.92Å; L108-G110 PolarHBondContact O-N 2.81Å; L108-S111 PolarHBondContact O-N 2.86Å; L108-S111 PolarHBondContact O-OG 3.15Å; L108-I112 HydrophobicContact CD1-CD1 3.79Å; L108-I112 HydrophobicContact CG-CD1 4.1Å; L108-I112 WeakPolarHBondContact O-CD1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 2.94Å; L108-I112 PolarHBondContact O-N 3.22Å
109	I	37.5	Very low	39.2	Very low	12 Å²	12	84 Å²	84	6%	0.062	45%	0.445	C	S	.	.	H	α-helix	trans	-57.5	-50.8	177.5	-64.7	170.5	0	0	0	110.4	F94 M98 A104 S105 K106 S111 I112 V113	F94-I109 HydrophobicContact CD1-CG2 4.01Å; F94-I109 HydrophobicContact CE1-CG2 3.95Å; M98-I109 HydrophobicContact CB-CD1 3.66Å; M98-I109 HydrophobicContact CB-CG1 3.53Å; M98-I109 HydrophobicContact CG-CG1 4.36Å; A104-I109 HydrophobicContact CB-CD1 4.34Å; A104-I109 HydrophobicContact CB-CG1 4.09Å; S105-I109 WeakPolarHBondContact O-CG1 3.39Å; S105-I109 PolarHBondContact O-N 2.78Å; K106-I109 PolarHBondContact O-N 2.85Å; I109-S111 VanDerWaalsContact C-N 3.26Å; I109-S111 PolarHBondContact O-N 3Å; I109-I112 PolarHBondContact O-N 3.29Å; I109-I112 VanDerWaalsContact O-N 3.11Å; I109-V113 HydrophobicContact CG2-CG2 3.75Å; I109-V113 WeakPolarHBondContact O-CB 3.08Å; I109-V113 VanDerWaalsContact O-CG2 3.27Å; I109-V113 WeakPolarHBondContact O-CG2 3.3Å; I109-V113 PolarHBondContact O-N 2.88Å
110	G	40.5	Very low	38.6	Very low	50 Å²	50	83.9 Å²	83.9	52%	0.515	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-30.2	179.8	0	0	0	0	0	113.8	K106 D107 L108 I112	K106-G110 PolarHBondContact O-N 3.5Å; D107-G110 PolarHBondContact O-N 3.32Å; L108-G110 PolarHBondContact O-N 2.81Å; G110-I112 PolarHBondContact O-N 2.96Å
111	S	40.7	Very low	38	Very low	34 Å²	34	80 Å²	80	24%	0.238	42%	0.417	C	S	.	.	H	α-helix	trans	-72.9	-13.6	177.4	77.4	0	0	0	0	114.4	L11 D107 L108 I109 K115	L11-S111 WeakPolarHBondContact CD1-OG 3.42Å; D107-S111 WeakPolarHBondContact O-CB 3.41Å; D107-S111 PolarHBondContact O-N 3.43Å; L108-S111 PolarHBondContact O-N 2.86Å; L108-S111 PolarHBondContact O-OG 3.15Å; I109-S111 VanDerWaalsContact C-N 3.26Å; I109-S111 PolarHBondContact O-N 3Å; S111-K115 WeakPolarHBondContact O-CD 3.45Å; S111-K115 WeakPolarHBondContact O-CE 3.11Å; S111-K115 PolarHBondContact O-NZ 3.05Å
112	I	37.8	Very low	37.8	Very low	28 Å²	28	76.4 Å²	76.4	14%	0.144	40%	0.401	C	S	.	.	H	α-helix	trans	-112.4	-38.4	-176.7	-54.3	163	0	0	0	110.5	L14 W60 F94 M98 L108 I109 G110 G114 K115	L14-I112 HydrophobicContact CD1-CD1 3.98Å; W60-I112 HydrophobicContact CH2-CD1 3.96Å; W60-I112 HydrophobicContact CH2-CG2 3.78Å; W60-I112 HydrophobicContact CZ2-CG2 3.65Å; F94-I112 HydrophobicContact CE1-CB 4.16Å; F94-I112 HydrophobicContact CE1-CG2 4.29Å; F94-I112 HydrophobicContact CE2-CG2 4.32Å; F94-I112 HydrophobicContact CZ-CB 3.89Å; F94-I112 HydrophobicContact CZ-CD1 4.17Å; F94-I112 HydrophobicContact CZ-CG2 3.64Å; M98-I112 HydrophobicContact CE-CD1 4.49Å; L108-I112 HydrophobicContact CD1-CD1 3.79Å; L108-I112 HydrophobicContact CG-CD1 4.1Å; L108-I112 WeakPolarHBondContact O-CD1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 2.94Å; L108-I112 PolarHBondContact O-N 3.22Å; I109-I112 PolarHBondContact O-N 3.29Å; I109-I112 VanDerWaalsContact O-N 3.11Å; G110-I112 PolarHBondContact O-N 2.96Å; I112-G114 PolarHBondContact O-N 3.11Å; I112-K115 PolarHBondContact O-N 2.95Å
113	V	37.2	Very low	37.6	Very low	49 Å²	49	74.5 Å²	74.5	30%	0.297	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	125.3	178.2	162.9	0	0	0	0	111.5	T91 F94 I109 K115	T91-V113 HydrophobicContact CG2-CB 4.25Å; T91-V113 HydrophobicContact CG2-CG1 3.22Å; T91-V113 HydrophobicContact CG2-CG2 4.03Å; F94-V113 HydrophobicContact CD1-CG2 3.31Å; F94-V113 HydrophobicContact CE1-CG2 3.61Å; F94-V113 HydrophobicContact CG-CG2 4.38Å; I109-V113 HydrophobicContact CG2-CG2 3.75Å; I109-V113 WeakPolarHBondContact O-CB 3.08Å; I109-V113 VanDerWaalsContact O-CG2 3.27Å; I109-V113 WeakPolarHBondContact O-CG2 3.3Å; I109-V113 PolarHBondContact O-N 2.88Å; V113-K115 VanDerWaalsContact C-N 3.33Å
114	G	31.3	Very low	37.5	Very low	72 Å²	72	67.9 Å²	67.9	74%	0.742	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-4.3	176.5	0	0	0	0	0	114.8	I112 E116	I112-G114 PolarHBondContact O-N 3.11Å; G114-E116 PolarHBondContact O-N 3.36Å
115	K	35	Very low	37.1	Very low	136 Å²	136	68.3 Å²	68.3	59%	0.591	37%	0.367	S	S	*	.	S	Bend	trans	-70.4	126.9	160.3	-69.7	179.6	174.5	164.8	0	107.7	S111 I112 V113 P117	S111-K115 WeakPolarHBondContact O-CD 3.45Å; S111-K115 WeakPolarHBondContact O-CE 3.11Å; S111-K115 PolarHBondContact O-NZ 3.05Å; I112-K115 PolarHBondContact O-N 2.95Å; V113-K115 VanDerWaalsContact C-N 3.33Å; K115-P117 WeakPolarHBondContact O-CD 3.43Å
116	E	29.7	Very low	36.7	Very low	145 Å²	145	65.7 Å²	65.7	68%	0.678	35%	0.348	S	S	*	.			trans	-54.3	122.1	170.1	-72.7	-176	157.2	0	0	108.5	G114 R118	G114-E116 PolarHBondContact O-N 3.36Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 HydrophobicContact CB-CG 4.45Å; E116-R118 PolarHBondContact O-N 3.48Å; E116-R118 IonicContact OE2-NE 3.47Å; E116-R118 IonicContact OE2-NH2 3.41Å
117	P	31.1	Very low	35.7	Very low	71 Å²	71	60.8 Å²	60.8	46%	0.461	33%	0.327	S	S	.	.			trans	-70.3	91.8	174.6	26.7	-30.5	0	0	0	107.8	K115 K119 L120 Y140	K115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-K119 VanDerWaalsContact C-N 3.32Å; P117-L120 HydrophobicContact CB-CG 4.45Å; P117-Y140 WeakPolarHBondContact O-CE2 3.31Å
118	R	28.1	Very low	34.8	Very low	203 Å²	203	57.2 Å²	57.2	77%	0.766	31%	0.306	S	S	*	.	S	Bend	trans	-76	-23.9	176.7	-69.4	-170.7	176.5	-169.8	-1.4	112.3	E116	E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 HydrophobicContact CB-CG 4.45Å; E116-R118 PolarHBondContact O-N 3.48Å; E116-R118 IonicContact OE2-NE 3.47Å; E116-R118 IonicContact OE2-NH2 3.41Å
119	K	32	Very low	34.3	Very low	75 Å²	75	63.4 Å²	63.4	33%	0.326	35%	0.347	S	S	.	.	S	Bend	trans	-144.3	129.9	172.9	-56.2	-166.7	-174.1	-141.6	0	107.8	P117 C121 E139	P117-K119 VanDerWaalsContact C-N 3.32Å; K119-C121 PolarHBondContact O-N 3.41Å; K119-E139 HydrophobicContact CD-CG 4.26Å; K119-E139 WeakPolarHBondContact CE-OE1 3.21Å; K119-E139 HydrophobicContact CG-CG 4.03Å; K119-E139 IonicContact NZ-OE1 2.96Å; K119-E139 PolarHBondContact NZ-OE1 2.82Å
120	L	33.8	Very low	34.1	Very low	50 Å²	50	64.9 Å²	64.9	26%	0.262	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	90.7	176.3	-88	156.8	0	0	0	108.4	P117 D138 Y140	P117-L120 HydrophobicContact CB-CG 4.45Å; L120-D138 CarbonylContact C-O 3.59Å; L120-D138 WeakPolarHBondContact CA-O 3.35Å; L120-D138 PolarHBondContact N-O 3.28Å; L120-D138 WeakPolarHBondContact O-CA 3.45Å; L120-D138 PolarHBondContact O-N 3.07Å; L120-Y140 HydrophobicContact CD1-CD2 4.25Å; L120-Y140 HydrophobicContact CD1-CE2 3.88Å
121	C	34	Very low	33.9	Very low	21 Å²	21	65.3 Å²	65.3	14%	0.142	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.3	171.5	-44.1	0	0	0	0	109.7	K119 F135 A136 C137	K119-C121 PolarHBondContact O-N 3.41Å; C121-F135 HydrophobicContact CB-CD1 4.49Å; C121-F135 HydrophobicContact CB-CE1 3.47Å; C121-F135 VanDerWaalsContact CB-CE1 3.47Å; C121-F135 HydrophobicContact CB-CE2 4.42Å; C121-F135 HydrophobicContact CB-CZ 3.38Å; C121-A136 CarbonylContact C-O 2.93Å; C121-C137 WeakPolarHBondContact CB-SG 3.42Å; C121-C137 PolarHBondContact SG-SG 2.88Å
122	F	39.3	Very low	33.6	Very low	41 Å²	41	67.9 Å²	67.9	18%	0.18	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.6	172.1	51.5	-87.5	0	0	0	110.5	L58 F124 A136 D138	L58-F122 HydrophobicContact CD1-CD2 4.43Å; F122-F124 HydrophobicContact CD2-CD1 4.45Å; F122-A136 HydrophobicContact CD2-CB 3.87Å; F122-A136 HydrophobicContact CE1-CB 4.29Å; F122-A136 HydrophobicContact CE2-CB 3.36Å; F122-A136 HydrophobicContact CZ-CB 3.59Å; F122-A136 PolarHBondContact N-O 3.47Å; F122-A136 PolarHBondContact O-N 3.27Å; F122-D138 HydrophobicContact CD1-CB 4.49Å; F122-D138 HydrophobicContact CE1-CB 3.85Å
123	S	35.4	Very low	33.7	Very low	4 Å²	4	66.6 Å²	66.6	3%	0.028	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	156.6	171.2	56.1	0	0	0	0	109.2	L59 I134	L59-S123 CarbonylContact C-O 3.54Å; L59-S123 VanDerWaalsContact CA-O 3.25Å; L59-S123 WeakPolarHBondContact CA-O 3.32Å; L59-S123 WeakPolarHBondContact CB-O 3.36Å; L59-S123 VanDerWaalsContact CB-OG 3.25Å; L59-S123 WeakPolarHBondContact CB-OG 3.32Å; L59-S123 WeakPolarHBondContact CD1-OG 3.49Å; L59-S123 PolarHBondContact N-O 2.67Å; L59-S123 PolarHBondContact O-N 3.31Å; L59-S123 VanDerWaalsContact O-O 3.05Å; S123-I134 CarbonylContact C-O 3.57Å; S123-I134 VanDerWaalsContact CA-O 3.3Å; S123-I134 WeakPolarHBondContact CA-O 3.4Å
124	F	40.9	Very low	33.8	Very low	26 Å²	26	64.4 Å²	64.4	11%	0.114	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	140	167.7	51.6	-84.3	0	0	0	110.7	F56 F57 F122 V126 I134	F56-F124 HydrophobicContact CB-CD2 4.47Å; F56-F124 AromaticContact CD1-CD2 3.83Å; F56-F124 HydrophobicContact CD1-CD2 3.83Å; F56-F124 AromaticContact CD1-CE2 3.79Å; F56-F124 HydrophobicContact CD1-CE2 3.79Å; F56-F124 HydrophobicContact CE1-CE2 4.34Å; F57-F124 WeakPolarHBondContact O-CA 3.36Å; F57-F124 WeakPolarHBondContact O-CB 3.33Å; F122-F124 HydrophobicContact CD2-CD1 4.45Å; F124-V126 HydrophobicContact CD2-CG2 4.06Å; F124-V126 HydrophobicContact CE2-CG2 4.11Å; F124-V126 PolarHBondContact O-N 2.84Å; F124-I134 HydrophobicContact CD1-CB 4.28Å; F124-I134 HydrophobicContact CD1-CG2 4.36Å; F124-I134 HydrophobicContact CD2-CB 4.1Å; F124-I134 HydrophobicContact CD2-CD1 4.33Å; F124-I134 HydrophobicContact CE1-CB 3.84Å; F124-I134 HydrophobicContact CE1-CG2 3.55Å; F124-I134 HydrophobicContact CE2-CB 3.71Å; F124-I134 HydrophobicContact CE2-CD1 3.43Å; F124-I134 VanDerWaalsContact CE2-CD1 3.43Å; F124-I134 HydrophobicContact CE2-CG1 4.12Å; F124-I134 HydrophobicContact CE2-CG2 4.12Å; F124-I134 HydrophobicContact CG-CB 4.4Å; F124-I134 HydrophobicContact CZ-CB 3.54Å; F124-I134 HydrophobicContact CZ-CD1 3.67Å; F124-I134 HydrophobicContact CZ-CG1 4.22Å; F124-I134 HydrophobicContact CZ-CG2 3.41Å; F124-I134 VanDerWaalsContact CZ-CG2 3.41Å; F124-I134 PolarHBondContact N-O 2.98Å; F124-I134 PolarHBondContact O-N 2.91Å
125	D	35.1	Very low	34.1	Very low	19 Å²	19	61.3 Å²	61.3	10%	0.102	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.5	169.2	-72.8	-32.2	0	0	0	107.4	F57 F127 R133	F57-D125 PolarHBondContact O-N 3.47Å; D125-F127 HydrophobicContact CB-CD2 4.2Å; D125-F127 HydrophobicContact CB-CE2 3.58Å; D125-F127 HydrophobicContact CB-CZ 3.92Å; D125-R133 WeakPolarHBondContact OD1-CD 3.47Å; D125-R133 WeakPolarHBondContact OD1-CG 3.37Å; D125-R133 IonicContact OD1-CZ 2.67Å; D125-R133 IonicContact OD1-NE 3.71Å; D125-R133 PolarHBondContact OD1-NE 2.98Å; D125-R133 IonicContact OD1-NH2 3.47Å; D125-R133 PolarHBondContact OD1-NH2 2.98Å
126	V	33.6	Very low	34.2	Very low	10 Å²	10	55 Å²	55	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.8	164.4	-178	0	0	0	0	106.2	M47 F56 F124 Q128 I134	M47-V126 HydrophobicContact CE-CB 4.34Å; M47-V126 HydrophobicContact CE-CG1 3.18Å; M47-V126 HydrophobicContact SD-CG1 4.03Å; F56-V126 HydrophobicContact CD1-CG2 4.32Å; F56-V126 HydrophobicContact CE1-CG1 4.29Å; F56-V126 HydrophobicContact CE1-CG2 4.25Å; F124-V126 HydrophobicContact CD2-CG2 4.06Å; F124-V126 HydrophobicContact CE2-CG2 4.11Å; F124-V126 PolarHBondContact O-N 2.84Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 3.26Å; V126-I134 HydrophobicContact CG2-CD1 3.46Å; V126-I134 VanDerWaalsContact CG2-CD1 3.46Å; V126-I134 HydrophobicContact CG2-CG1 3.84Å
127	F	29.7	Very low	34.4	Very low	79 Å²	79	48.8 Å²	48.8	35%	0.346	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	78	-179.4	-69.3	-94	0	0	0	110.5	T54 S55 F57 D125	T54-F127 WeakPolarHBondContact CG2-O 3.46Å; S55-F127 WeakPolarHBondContact O-CD2 3.45Å; F57-F127 HydrophobicContact CB-CE2 4.15Å; F57-F127 AromaticContact CD2-CD2 3.8Å; F57-F127 HydrophobicContact CD2-CD2 3.8Å; F57-F127 AromaticContact CD2-CE2 3.11Å; F57-F127 HydrophobicContact CD2-CE2 3.11Å; F57-F127 AromaticContact CD2-CZ 3.8Å; F57-F127 HydrophobicContact CD2-CZ 3.8Å; F57-F127 HydrophobicContact CE2-CD2 4.19Å; F57-F127 AromaticContact CE2-CE2 3.68Å; F57-F127 HydrophobicContact CE2-CE2 3.68Å; F57-F127 HydrophobicContact CE2-CZ 4.09Å; F57-F127 AromaticContact CG-CE2 3.93Å; F57-F127 HydrophobicContact CG-CE2 3.93Å; F57-F127 HydrophobicContact CG-CZ 4.45Å; D125-F127 HydrophobicContact CB-CD2 4.2Å; D125-F127 HydrophobicContact CB-CE2 3.58Å; D125-F127 HydrophobicContact CB-CZ 3.92Å
128	Q	27.8	Very low	34.4	Very low	62 Å²	62	46.2 Å²	46.2	29%	0.29	24%	0.239	S	C	.	.	S	Bend	trans	-102.6	163.3	155.7	-80.7	-159.4	-1.4	0	0	110	T49 V126 S130	T49-Q128 PolarHBondContact OG1-NE2 3.3Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 3.26Å; Q128-S130 CarbonylContact O-C 3.56Å; Q128-S130 PolarHBondContact O-N 2.97Å; Q128-S130 VanDerWaalsContact O-N 3.07Å
129	P	30	Very low	34.2	Very low	144 Å²	144	40.8 Å²	40.8	94%	0.935	22%	0.222	S	C	*	.	S	Bend	trans	-58.1	-18.4	170.5	-18.7	30	0	0	0	113.1
130	S	33.2	Very low	33.9	Very low	44 Å²	44	43.2 Å²	43.2	31%	0.308	23%	0.23	S	C	.	.	S	Bend	trans	-85.7	113.7	167.8	58.7	0	0	0	0	110.2	Q128 Q132	Q128-S130 CarbonylContact O-C 3.56Å; Q128-S130 PolarHBondContact O-N 2.97Å; Q128-S130 VanDerWaalsContact O-N 3.07Å; S130-Q132 PolarHBondContact O-N 3.33Å
131	A	35.4	Very low	33.8	Very low	59 Å²	59	45.5 Å²	45.5	49%	0.488	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	92.4	173.7	0	0	0	0	0	111.6	P152 F153	A131-P152 VanDerWaalsContact C-CD 3.43Å; A131-P152 VanDerWaalsContact C-CG 3.44Å; A131-P152 HydrophobicContact CB-CG 3.62Å; A131-P152 WeakPolarHBondContact O-CD 3.43Å; A131-P152 WeakPolarHBondContact O-CG 3.41Å; A131-F153 HydrophobicContact CB-CE2 3.8Å; A131-F153 HydrophobicContact CB-CZ 4.23Å
132	Q	36.1	Very low	33.7	Very low	87 Å²	87	47.3 Å²	47.3	41%	0.407	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.6	-178	-65.2	-175.6	3.7	0	0	111.1	S130	S130-Q132 PolarHBondContact O-N 3.33Å
133	R	39.2	Very low	33.3	Very low	2 Å²	2	47.3 Å²	47.3	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146	-177.4	-72.1	-169	176.9	160	-10.9	112.4	P7 Y13 D125 Y149 H150 P152	P7-R133 PolarHBondContact O-NH2 3.37Å; Y13-R133 WeakPolarHBondContact OH-CD 3.25Å; D125-R133 WeakPolarHBondContact OD1-CD 3.47Å; D125-R133 WeakPolarHBondContact OD1-CG 3.37Å; D125-R133 IonicContact OD1-CZ 2.67Å; D125-R133 IonicContact OD1-NE 3.71Å; D125-R133 PolarHBondContact OD1-NE 2.98Å; D125-R133 IonicContact OD1-NH2 3.47Å; D125-R133 PolarHBondContact OD1-NH2 2.98Å; R133-Y149 CarbonylContact O-C 3.52Å; R133-Y149 WeakPolarHBondContact O-CA 3.41Å; R133-H150 PolarHBondContact N-O 3.11Å; R133-H150 PolarHBondContact O-N 2.82Å; R133-H150 PolarHBondContact O-ND1 3.48Å; R133-P152 HydrophobicContact CG-CB 3.79Å; R133-P152 PolarHBondContact NH1-O 3.43Å
134	I	39.3	Very low	33	Very low	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.7	167.5	-62.5	164.8	0	0	0	109.8	M47 S123 F124 V126 A147 C148 Y149	M47-I134 HydrophobicContact CG-CD1 4.43Å; S123-I134 CarbonylContact C-O 3.57Å; S123-I134 VanDerWaalsContact CA-O 3.3Å; S123-I134 WeakPolarHBondContact CA-O 3.4Å; F124-I134 HydrophobicContact CD1-CB 4.28Å; F124-I134 HydrophobicContact CD1-CG2 4.36Å; F124-I134 HydrophobicContact CD2-CB 4.1Å; F124-I134 HydrophobicContact CD2-CD1 4.33Å; F124-I134 HydrophobicContact CE1-CB 3.84Å; F124-I134 HydrophobicContact CE1-CG2 3.55Å; F124-I134 HydrophobicContact CE2-CB 3.71Å; F124-I134 HydrophobicContact CE2-CD1 3.43Å; F124-I134 VanDerWaalsContact CE2-CD1 3.43Å; F124-I134 HydrophobicContact CE2-CG1 4.12Å; F124-I134 HydrophobicContact CE2-CG2 4.12Å; F124-I134 HydrophobicContact CG-CB 4.4Å; F124-I134 HydrophobicContact CZ-CB 3.54Å; F124-I134 HydrophobicContact CZ-CD1 3.67Å; F124-I134 HydrophobicContact CZ-CG1 4.22Å; F124-I134 HydrophobicContact CZ-CG2 3.41Å; F124-I134 VanDerWaalsContact CZ-CG2 3.41Å; F124-I134 PolarHBondContact N-O 2.98Å; F124-I134 PolarHBondContact O-N 2.91Å; V126-I134 HydrophobicContact CG2-CD1 3.46Å; V126-I134 VanDerWaalsContact CG2-CD1 3.46Å; V126-I134 HydrophobicContact CG2-CG1 3.84Å; I134-A147 HydrophobicContact CG2-CB 3.64Å; I134-C148 CarbonylContact C-O 3.57Å; I134-C148 WeakPolarHBondContact CA-O 3.27Å; I134-Y149 HydrophobicContact CD1-CD1 4.19Å; I134-Y149 HydrophobicContact CD1-CE1 3.33Å; I134-Y149 HydrophobicContact CD1-CE2 4.14Å; I134-Y149 WeakPolarHBondContact CD1-OH 3.46Å; I134-Y149 HydrophobicContact CG1-CD1 3.61Å; I134-Y149 HydrophobicContact CG1-CD2 4.33Å; I134-Y149 HydrophobicContact CG1-CE1 3.28Å; I134-Y149 HydrophobicContact CG1-CE2 4.04Å; I134-Y149 HydrophobicContact CG1-CG 4.12Å; I134-Y149 VanDerWaalsContact CG1-CZ 3.49Å
135	F	37.6	Very low	32.7	Very low	8 Å²	8	48.8 Å²	48.8	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.5	169.9	-158.5	-102.2	0	0	0	108.3	A17 C21 C121 C137 A147 C148 H150	A17-F135 HydrophobicContact CB-CD2 4.02Å; A17-F135 HydrophobicContact CB-CE1 3.97Å; A17-F135 HydrophobicContact CB-CE2 3.52Å; A17-F135 HydrophobicContact CB-CZ 3.49Å; A17-F135 VanDerWaalsContact CB-CZ 3.49Å; C21-F135 WeakPolarHBondContact SG-CD1 3.42Å; C21-F135 WeakPolarHBondContact SG-CE1 3.06Å; C121-F135 HydrophobicContact CB-CD1 4.49Å; C121-F135 HydrophobicContact CB-CE1 3.47Å; C121-F135 VanDerWaalsContact CB-CE1 3.47Å; C121-F135 HydrophobicContact CB-CE2 4.42Å; C121-F135 HydrophobicContact CB-CZ 3.38Å; F135-C137 VanDerWaalsContact CD1-SG 3.53Å; F135-C137 WeakPolarHBondContact CE1-SG 3.36Å; F135-A147 WeakPolarHBondContact O-CA 3.37Å; F135-C148 PolarHBondContact N-O 3.45Å; F135-C148 PolarHBondContact O-N 2.97Å; F135-H150 WeakPolarHBondContact CB-CE1 3.39Å; F135-H150 PolarHBondContact N-CE1 3.3Å; F135-H150 VanDerWaalsContact N-CE1 3.32Å
136	A	38.1	Very low	32.7	Very low	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.6	173.6	0	0	0	0	0	110.3	C121 F122 F146	C121-A136 CarbonylContact C-O 2.93Å; F122-A136 HydrophobicContact CD2-CB 3.87Å; F122-A136 HydrophobicContact CE1-CB 4.29Å; F122-A136 HydrophobicContact CE2-CB 3.36Å; F122-A136 HydrophobicContact CZ-CB 3.59Å; F122-A136 PolarHBondContact N-O 3.47Å; F122-A136 PolarHBondContact O-N 3.27Å; A136-F146 WeakPolarHBondContact CA-O 3.37Å; A136-F146 VanDerWaalsContact CB-O 3.27Å; A136-F146 WeakPolarHBondContact CB-O 2.92Å
137	C	32.4	Very low	32.9	Very low	16 Å²	16	48.4 Å²	48.4	11%	0.108	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.5	-177	-77	0	0	0	0	109.3	C21 C121 F135 G145 F146	C21-C137 HydrophobicContact CB-CB 4.04Å; C21-C137 WeakPolarHBondContact CB-SG 3.48Å; C21-C137 WeakPolarHBondContact SG-CB 3.33Å; C21-C137 CovalentContact SG-SG 2.05Å; C21-C137 PolarHBondContact SG-SG 3.25Å; C121-C137 WeakPolarHBondContact CB-SG 3.42Å; C121-C137 PolarHBondContact SG-SG 2.88Å; F135-C137 VanDerWaalsContact CD1-SG 3.53Å; F135-C137 WeakPolarHBondContact CE1-SG 3.36Å; C137-G145 WeakPolarHBondContact O-CA 3.44Å; C137-F146 HydrophobicContact CB-CE1 3.72Å; C137-F146 HydrophobicContact CB-CZ 3.83Å
138	D	31.2	Very low	33.3	Very low	17 Å²	17	45 Å²	45	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.5	173.9	-178.5	26.1	0	0	0	110.5	L120 F122	L120-D138 CarbonylContact C-O 3.59Å; L120-D138 WeakPolarHBondContact CA-O 3.35Å; L120-D138 PolarHBondContact N-O 3.28Å; L120-D138 WeakPolarHBondContact O-CA 3.45Å; L120-D138 PolarHBondContact O-N 3.07Å; F122-D138 HydrophobicContact CD1-CB 4.49Å; F122-D138 HydrophobicContact CE1-CB 3.85Å
139	E	24.6	Very low	33.7	Very low	88 Å²	88	43.1 Å²	43.1	41%	0.411	23%	0.227	S	C	.	.			trans	-97.2	102	159.8	-77.1	-173.6	-176.8	0	0	107.1	K119 F141	K119-E139 HydrophobicContact CD-CG 4.26Å; K119-E139 WeakPolarHBondContact CE-OE1 3.21Å; K119-E139 HydrophobicContact CG-CG 4.03Å; K119-E139 IonicContact NZ-OE1 2.96Å; K119-E139 PolarHBondContact NZ-OE1 2.82Å; E139-F141 PolarHBondContact O-N 3.2Å
140	Y	25.2	Very low	34.2	Very low	127 Å²	127	36.5 Å²	36.5	50%	0.498	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	21.9	96.1	169.8	-91.1	-100.2	0	0	0	115.8	P117 L120	P117-Y140 WeakPolarHBondContact O-CE2 3.31Å; L120-Y140 HydrophobicContact CD1-CD2 4.25Å; L120-Y140 HydrophobicContact CD1-CE2 3.88Å
141	F	31.6	Very low	34.4	Very low	98 Å²	98	34.9 Å²	34.9	43%	0.43	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	10.9	149.9	-70.2	-101.4	0	0	0	119.8	S32 Q33 W34 E139	S32-F141 CarbonylContact C-O 3.48Å; Q33-F141 CarbonylContact C-O 3.49Å; Q33-F141 WeakPolarHBondContact CA-O 3.33Å; Q33-F141 PolarHBondContact N-O 3.36Å; W34-F141 AromaticContact CD1-CD1 3.32Å; W34-F141 AromaticContact CD1-CE1 3.95Å; W34-F141 AromaticContact CD1-CG 3.97Å; W34-F141 PolarHBondContact N-O 3.5Å; W34-F141 VanDerWaalsContact N-O 3.14Å; W34-F141 AromaticContact NE1-CD1 3.25Å; W34-F141 VanDerWaalsContact NE1-CD1 3.25Å; W34-F141 AromaticContact NE1-CE1 3.56Å; W34-F141 AromaticContact NE1-CG 3.77Å; E139-F141 PolarHBondContact O-N 3.2Å
142	Q	32.4	Very low	34.7	Very low	59 Å²	59	32.5 Å²	32.5	28%	0.276	15%	0.151	S	C	.	.	S	Bend	trans	-139.8	136.2	146.5	-69.1	-152.9	15.7	0	0	109.2	T31 Q33 D144	T31-Q142 VanDerWaalsContact C-CG 3.45Å; T31-Q142 WeakPolarHBondContact O-CB 2.77Å; T31-Q142 VanDerWaalsContact O-CG 3.23Å; T31-Q142 WeakPolarHBondContact O-CG 3.16Å; T31-Q142 PolarHBondContact OG1-NE2 2.94Å; T31-Q142 PolarHBondContact OG1-OE1 2.84Å; Q33-Q142 HydrophobicContact CB-CG 4.39Å; Q33-Q142 VanDerWaalsContact N-CD 3.32Å; Q33-Q142 WeakPolarHBondContact O-CG 3.07Å; Q142-D144 VanDerWaalsContact C-N 3.25Å; Q142-D144 PolarHBondContact O-N 3.33Å
143	W	31.1	Very low	35	Very low	40 Å²	40	32.6 Å²	32.6	15%	0.152	15%	0.151	C	C	.	.			trans	-70.2	86.7	172.3	-162.6	68.5	0	0	0	109.8	P35 G145 R166	P35-W143 HydrophobicContact CG-CB 3.75Å; W143-G145 VanDerWaalsContact CZ2-O 3.26Å; W143-G145 WeakPolarHBondContact CZ2-O 3.47Å; W143-R166 VanDerWaalsContact CE3-NH1 3.33Å; W143-R166 HydrophobicContact CZ3-CG 4.14Å
144	D	29.4	Very low	35.3	Very low	58 Å²	58	33.8 Å²	33.8	31%	0.31	16%	0.157	S	C	.	.			trans	-86.8	15.1	149.3	-78.6	-35.6	0	0	0	110.2	Q142 F146 N167	Q142-D144 VanDerWaalsContact C-N 3.25Å; Q142-D144 PolarHBondContact O-N 3.33Å; D144-F146 PolarHBondContact O-N 3.49Å; D144-N167 PolarHBondContact OD1-ND2 2.65Å
145	G	33.7	Very low	35.4	Very low	4 Å²	4	34 Å²	34	4%	0.041	16%	0.159	C	C	.	.			trans	-69.8	126.7	-172.6	0	0	0	0	0	111.6	C137 W143	C137-G145 WeakPolarHBondContact O-CA 3.44Å; W143-G145 VanDerWaalsContact CZ2-O 3.26Å; W143-G145 WeakPolarHBondContact CZ2-O 3.47Å
146	F	34.2	Very low	35.6	Very low	17 Å²	17	35.4 Å²	35.4	8%	0.075	17%	0.169	C	C	.	.			trans	-73.3	152.4	161.7	61.7	-89.9	0	0	0	109.4	F20 C21 Y25 A136 C137 D144 C148	F20-F146 AromaticContact CE1-CE2 4Å; F20-F146 HydrophobicContact CE1-CE2 4Å; C21-F146 HydrophobicContact CB-CZ 4.07Å; C21-F146 WeakPolarHBondContact SG-CZ 3.45Å; Y25-F146 AromaticContact CD1-CD1 3.64Å; Y25-F146 HydrophobicContact CD1-CD1 3.64Å; Y25-F146 AromaticContact CD1-CE1 3.64Å; Y25-F146 HydrophobicContact CD1-CE1 3.64Å; Y25-F146 HydrophobicContact CD1-CG 4.48Å; Y25-F146 HydrophobicContact CD1-CZ 4.45Å; Y25-F146 HydrophobicContact CD2-CD1 4.17Å; Y25-F146 AromaticContact CD2-CE1 3.37Å; Y25-F146 HydrophobicContact CD2-CE1 3.37Å; Y25-F146 HydrophobicContact CD2-CE2 4.48Å; Y25-F146 AromaticContact CD2-CZ 3.5Å; Y25-F146 HydrophobicContact CD2-CZ 3.5Å; Y25-F146 HydrophobicContact CE1-CB 4.05Å; Y25-F146 AromaticContact CE1-CD1 3.15Å; Y25-F146 HydrophobicContact CE1-CD1 3.15Å; Y25-F146 HydrophobicContact CE1-CD2 4.29Å; Y25-F146 AromaticContact CE1-CE1 3.43Å; Y25-F146 HydrophobicContact CE1-CE1 3.43Å; Y25-F146 VanDerWaalsContact CE1-CE1 3.43Å; Y25-F146 HydrophobicContact CE1-CE2 4.48Å; Y25-F146 AromaticContact CE1-CG 3.58Å; Y25-F146 HydrophobicContact CE1-CG 3.58Å; Y25-F146 HydrophobicContact CE1-CZ 4.03Å; Y25-F146 AromaticContact CE2-CD1 3.74Å; Y25-F146 HydrophobicContact CE2-CD1 3.74Å; Y25-F146 HydrophobicContact CE2-CD2 4.1Å; Y25-F146 AromaticContact CE2-CE1 3.14Å; Y25-F146 HydrophobicContact CE2-CE1 3.14Å; Y25-F146 AromaticContact CE2-CE2 3.54Å; Y25-F146 HydrophobicContact CE2-CE2 3.54Å; Y25-F146 HydrophobicContact CE2-CG 4.13Å; Y25-F146 AromaticContact CE2-CZ 2.94Å; Y25-F146 HydrophobicContact CE2-CZ 2.94Å; Y25-F146 HydrophobicContact CG-CD1 4.11Å; Y25-F146 AromaticContact CG-CE1 3.6Å; Y25-F146 HydrophobicContact CG-CE1 3.6Å; Y25-F146 HydrophobicContact CG-CZ 4.21Å; Y25-F146 AromaticContact CZ-CD1 3.18Å; Y25-F146 AromaticContact CZ-CD2 3.57Å; Y25-F146 AromaticContact CZ-CE1 3.14Å; Y25-F146 AromaticContact CZ-CE2 3.51Å; Y25-F146 AromaticContact CZ-CG 3.33Å; Y25-F146 AromaticContact CZ-CZ 3.24Å; Y25-F146 WeakPolarHBondContact OH-CD1 3.18Å; Y25-F146 WeakPolarHBondContact OH-CD2 3.25Å; Y25-F146 WeakPolarHBondContact OH-CE2 3.3Å; Y25-F146 WeakPolarHBondContact OH-CG 3.3Å; Y25-F146 WeakPolarHBondContact OH-CZ 3.26Å; A136-F146 WeakPolarHBondContact CA-O 3.37Å; A136-F146 VanDerWaalsContact CB-O 3.27Å; A136-F146 WeakPolarHBondContact CB-O 2.92Å; C137-F146 HydrophobicContact CB-CE1 3.72Å; C137-F146 HydrophobicContact CB-CZ 3.83Å; D144-F146 PolarHBondContact O-N 3.49Å; F146-C148 HydrophobicContact CD2-CB 4.19Å; F146-C148 WeakPolarHBondContact CD2-SG 3.48Å; F146-C148 HydrophobicContact CE2-CB 4.25Å; F146-C148 VanDerWaalsContact CE2-SG 3.51Å
147	A	39.7	Very low	35.8	Very low	4 Å²	4	38.2 Å²	38.2	3%	0.033	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	162.6	0	0	0	0	0	107.6	L46 I134 F135	L46-A147 HydrophobicContact CD1-CB 3.68Å; L46-A147 HydrophobicContact CD2-CB 3.98Å; L46-A147 HydrophobicContact CG-CB 4.47Å; I134-A147 HydrophobicContact CG2-CB 3.64Å; F135-A147 WeakPolarHBondContact O-CA 3.37Å
148	C	36.5	Very low	35.9	Very low	6 Å²	6	39.8 Å²	39.8	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142	171.1	-73	0	0	0	0	109.5	F20 Y25 I134 F135 F146 H150 C162	F20-C148 HydrophobicContact CE1-CB 3.76Å; F20-C148 HydrophobicContact CZ-CB 3.94Å; F20-C148 WeakPolarHBondContact CZ-SG 3.41Å; Y25-C148 PolarHBondContact OH-SG 3.5Å; Y25-C148 VanDerWaalsContact OH-SG 3.37Å; I134-C148 CarbonylContact C-O 3.57Å; I134-C148 WeakPolarHBondContact CA-O 3.27Å; F135-C148 PolarHBondContact N-O 3.45Å; F135-C148 PolarHBondContact O-N 2.97Å; F146-C148 HydrophobicContact CD2-CB 4.19Å; F146-C148 WeakPolarHBondContact CD2-SG 3.48Å; F146-C148 HydrophobicContact CE2-CB 4.25Å; F146-C148 VanDerWaalsContact CE2-SG 3.51Å; C148-H150 WeakPolarHBondContact CB-CE1 3.33Å; C148-H150 WeakPolarHBondContact CB-NE2 3.09Å; C148-H150 PolarHBondContact O-CE1 3.14Å; C148-H150 PolarHBondContact O-ND1 3.05Å; C148-H150 VanDerWaalsContact O-ND1 3.15Å; C148-C162 PolarHBondContact SG-O 3.14Å
149	Y	37	Very low	36.2	Very low	24 Å²	24	45.5 Å²	45.5	9%	0.094	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133	169.9	-72.5	-100.5	0	0	0	108.9	L46 M47 R133 I134 C162	L46-Y149 HydrophobicContact CB-CE2 3.71Å; L46-Y149 VanDerWaalsContact CB-OH 3.26Å; L46-Y149 WeakPolarHBondContact CB-OH 3.46Å; L46-Y149 HydrophobicContact CD2-CE2 4.23Å; L46-Y149 WeakPolarHBondContact O-CE2 3.45Å; L46-Y149 PolarHBondContact O-OH 3.44Å; M47-Y149 VanDerWaalsContact CA-CZ 3.48Å; M47-Y149 WeakPolarHBondContact CA-OH 3.23Å; M47-Y149 HydrophobicContact CB-CE1 4.28Å; M47-Y149 HydrophobicContact CG-CE1 3.76Å; M47-Y149 WeakPolarHBondContact CG-OH 3.5Å; M47-Y149 PolarHBondContact N-OH 3.16Å; R133-Y149 CarbonylContact O-C 3.52Å; R133-Y149 WeakPolarHBondContact O-CA 3.41Å; I134-Y149 HydrophobicContact CD1-CD1 4.19Å; I134-Y149 HydrophobicContact CD1-CE1 3.33Å; I134-Y149 HydrophobicContact CD1-CE2 4.14Å; I134-Y149 WeakPolarHBondContact CD1-OH 3.46Å; I134-Y149 HydrophobicContact CG1-CD1 3.61Å; I134-Y149 HydrophobicContact CG1-CD2 4.33Å; I134-Y149 HydrophobicContact CG1-CE1 3.28Å; I134-Y149 HydrophobicContact CG1-CE2 4.04Å; I134-Y149 HydrophobicContact CG1-CG 4.12Å; I134-Y149 VanDerWaalsContact CG1-CZ 3.49Å; Y149-C162 HydrophobicContact CD2-CB 3.54Å; Y149-C162 HydrophobicContact CE2-CB 4.14Å
150	H	40.6	Very low	36.6	Very low	5 Å²	5	48.7 Å²	48.7	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.4	178.5	-18.7	63.2	0	0	0	111	F20 R133 F135 C148 P155	F20-H150 AromaticContact CD1-NE2 3.93Å; F20-H150 AromaticContact CE1-NE2 3.42Å; F20-H150 WeakPolarHBondContact CE1-NE2 3.5Å; R133-H150 PolarHBondContact N-O 3.11Å; R133-H150 PolarHBondContact O-N 2.82Å; R133-H150 PolarHBondContact O-ND1 3.48Å; F135-H150 WeakPolarHBondContact CB-CE1 3.39Å; F135-H150 PolarHBondContact N-CE1 3.3Å; F135-H150 VanDerWaalsContact N-CE1 3.32Å; C148-H150 WeakPolarHBondContact CB-CE1 3.33Å; C148-H150 WeakPolarHBondContact CB-NE2 3.09Å; C148-H150 PolarHBondContact O-CE1 3.14Å; C148-H150 PolarHBondContact O-ND1 3.05Å; C148-H150 VanDerWaalsContact O-ND1 3.15Å; H150-P155 HydrophobicContact CB-CB 4.17Å
151	S	38.1	Very low	37.1	Very low	9 Å²	9	48 Å²	48	6%	0.063	24%	0.241	C	C	.	.			trans	-67	142.8	170.4	158.1	0	0	0	0	110	F153 D154 V158	S151-F153 PolarHBondContact O-N 2.89Å; S151-F153 PolarHBondContact OG-N 3.39Å; S151-D154 VanDerWaalsContact CB-O 3.31Å; S151-D154 WeakPolarHBondContact CB-O 3.43Å; S151-D154 CarbonylContact O-C 3.5Å; S151-D154 PolarHBondContact OG-N 2.84Å; S151-V158 VanDerWaalsContact N-CG2 3.34Å
152	P	41.5	Very low	37.2	Very low	9 Å²	9	44.4 Å²	44.4	6%	0.058	23%	0.227	C	C	.	.	S	Bend	trans	-64.2	-18.2	171.6	18.8	-23.3	0	0	0	113.1	P7 A131 R133	P7-P152 HydrophobicContact CG-CB 4.01Å; A131-P152 VanDerWaalsContact C-CD 3.43Å; A131-P152 VanDerWaalsContact C-CG 3.44Å; A131-P152 HydrophobicContact CB-CG 3.62Å; A131-P152 WeakPolarHBondContact O-CD 3.43Å; A131-P152 WeakPolarHBondContact O-CG 3.41Å; R133-P152 HydrophobicContact CG-CB 3.79Å; R133-P152 PolarHBondContact NH1-O 3.43Å
153	F	41	Very low	37.4	Very low	90 Å²	90	42.4 Å²	42.4	40%	0.395	22%	0.218	S	C	.	.	S	Bend	trans	-96	-37.3	-174.9	-52.5	-73.9	0	0	0	111.7	P7 A131 S151	P7-F153 HydrophobicContact CG-CD1 4.4Å; P7-F153 HydrophobicContact CG-CE1 4.16Å; A131-F153 HydrophobicContact CB-CE2 3.8Å; A131-F153 HydrophobicContact CB-CZ 4.23Å; S151-F153 PolarHBondContact O-N 2.89Å; S151-F153 PolarHBondContact OG-N 3.39Å
154	D	45.7	Very low	37.6	Very low	26 Å²	26	41.8 Å²	41.8	14%	0.139	22%	0.216	C	C	.	.			trans	-148.2	124.3	173.7	-167.8	-0.1	0	0	0	110.8	R16 S151 C156 E157	R16-D154 IonicContact CZ-OD1 3.3Å; R16-D154 VanDerWaalsContact CZ-OD1 3.3Å; R16-D154 IonicContact NE-OD1 2.89Å; R16-D154 PolarHBondContact NE-OD1 3.46Å; R16-D154 IonicContact NH2-OD1 2.98Å; R16-D154 PolarHBondContact NH2-OD1 3.19Å; R16-D154 IonicContact NH2-OD2 3.85Å; S151-D154 VanDerWaalsContact CB-O 3.31Å; S151-D154 WeakPolarHBondContact CB-O 3.43Å; S151-D154 CarbonylContact O-C 3.5Å; S151-D154 PolarHBondContact OG-N 2.84Å; D154-C156 PolarHBondContact O-N 2.85Å; D154-C156 PolarHBondContact OD1-N 2.97Å; D154-E157 HydrophobicContact CB-CB 4.06Å; D154-E157 HydrophobicContact CB-CG 3.8Å; D154-E157 WeakPolarHBondContact CB-OE1 3.36Å; D154-E157 PolarHBondContact O-N 2.71Å
155	P	42	Very low	38	Very low	7 Å²	7	40.4 Å²	40.4	5%	0.045	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.7	176.2	25.2	-35.8	0	0	0	113.1	Y13 R16 A17 H150	Y13-P155 VanDerWaalsContact CE2-CD 3.43Å; Y13-P155 HydrophobicContact CE2-CG 4.41Å; R16-P155 HydrophobicContact CB-CG 3.92Å; A17-P155 HydrophobicContact CB-CG 4.42Å; H150-P155 HydrophobicContact CB-CB 4.17Å
156	C	40.8	Very low	38	Very low	38 Å²	38	44 Å²	44	26%	0.257	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.5	176.1	-72.1	0	0	0	0	114.8	D154 V158 C178	D154-C156 PolarHBondContact O-N 2.85Å; D154-C156 PolarHBondContact OD1-N 2.97Å; C156-V158 PolarHBondContact O-N 2.96Å; C156-C178 HydrophobicContact CB-CB 4.15Å; C156-C178 WeakPolarHBondContact CB-SG 3.45Å; C156-C178 PolarHBondContact O-SG 3.48Å
157	E	42.4	Very low	38.1	Very low	61 Å²	61	48.1 Å²	48.1	29%	0.285	24%	0.244	S	C	.	.	S	Bend	trans	-88	4.7	-165.4	-93.6	176.2	-128	0	0	116.9	D154 H184	D154-E157 HydrophobicContact CB-CB 4.06Å; D154-E157 HydrophobicContact CB-CG 3.8Å; D154-E157 WeakPolarHBondContact CB-OE1 3.36Å; D154-E157 PolarHBondContact O-N 2.71Å; E157-H184 WeakPolarHBondContact CG-NE2 2.95Å; E157-H184 IonicContact OE1-CD2 2.78Å; E157-H184 PolarHBondContact OE1-CD2 3.22Å; E157-H184 IonicContact OE1-CG 3.92Å; E157-H184 IonicContact OE1-NE2 2.86Å; E157-H184 PolarHBondContact OE1-NE2 3.35Å; E157-H184 IonicContact OE2-CD2 3.66Å; E157-H184 IonicContact OE2-CE1 3.69Å; E157-H184 IonicContact OE2-NE2 2.82Å; E157-H184 PolarHBondContact OE2-NE2 2.86Å
158	V	35.8	Very low	38.1	Very low	49 Å²	49	54 Å²	54	30%	0.297	27%	0.271	S	S	.	.			trans	-123.7	109.3	176.5	-174.9	0	0	0	0	111	S151 C156 K160	S151-V158 VanDerWaalsContact N-CG2 3.34Å; C156-V158 PolarHBondContact O-N 2.96Å; V158-K160 HydrophobicContact CG1-CB 3.98Å; V158-K160 HydrophobicContact CG1-CG 4.4Å; V158-K160 PolarHBondContact O-N 3.06Å; V158-K160 VanDerWaalsContact O-N 3.15Å
159	T	36.5	Very low	38.1	Very low	137 Å²	137	56.2 Å²	56.2	84%	0.84	30%	0.295	S	S	*	.			trans	-75.5	30.3	172.3	38.1	0	0	0	0	113.5
160	K	33.7	Very low	38.2	Very low	154 Å²	154	62 Å²	62	67%	0.67	32%	0.32	S	S	*	.			trans	-116.4	92.5	175.4	-67.5	-165.1	176.1	-171.2	0	110.4	V158 C162	V158-K160 HydrophobicContact CG1-CB 3.98Å; V158-K160 HydrophobicContact CG1-CG 4.4Å; V158-K160 PolarHBondContact O-N 3.06Å; V158-K160 VanDerWaalsContact O-N 3.15Å; K160-C162 PolarHBondContact O-N 3.09Å
161	E	35.2	Very low	38.1	Very low	113 Å²	113	64.5 Å²	64.5	53%	0.528	34%	0.336	S	S	.	.				31.2	86.9	127	-54.1	-174.7	157.8	0	0	114.8	H173	E161-H173 WeakPolarHBondContact CB-ND1 3.14Å; E161-H173 VanDerWaalsContact CD-CE1 3.45Å; E161-H173 WeakPolarHBondContact CG-ND1 3.35Å; E161-H173 IonicContact OE1-CE1 2.67Å; E161-H173 IonicContact OE1-ND1 3.56Å; E161-H173 PolarHBondContact OE1-ND1 3.26Å; E161-H173 IonicContact OE2-CE1 3.18Å; E161-H173 PolarHBondContact OE2-CE1 3.08Å; E161-H173 IonicContact OE2-ND1 2.85Å
162	C	33.8	Very low	38	Very low	23 Å²	23	66.4 Å²	66.4	16%	0.155	35%	0.347	C	S	.	.			trans	-163.2	106.1	159	-104.1	0	0	0	0	110.9	L46 C148 Y149 K160	L46-C162 HydrophobicContact CD2-CB 4.47Å; L46-C162 PolarHBondContact O-SG 3.25Å; C148-C162 PolarHBondContact SG-O 3.14Å; Y149-C162 HydrophobicContact CD2-CB 3.54Å; Y149-C162 HydrophobicContact CE2-CB 4.14Å; K160-C162 PolarHBondContact O-N 3.09Å
163	Q	37.2	Very low	37.8	Very low	17 Å²	17	70.8 Å²	70.8	8%	0.079	37%	0.367	C	S	.	.			trans	-130.4	117.4	151.6	-66.1	-174.9	-9.8	0	0	105.2	Y25 T171 V172 H174	Y25-Q163 VanDerWaalsContact OH-CD 3.24Å; Y25-Q163 VanDerWaalsContact OH-CG 3.32Å; Y25-Q163 WeakPolarHBondContact OH-CG 3.44Å; Y25-Q163 PolarHBondContact OH-NE2 3.28Å; Q163-T171 CarbonylContact O-C 3.49Å; Q163-T171 WeakPolarHBondContact O-CA 3.5Å; Q163-V172 HydrophobicContact CB-CB 4.08Å; Q163-V172 PolarHBondContact O-N 2.89Å; Q163-H174 PolarHBondContact NE2-CD2 3.05Å; Q163-H174 PolarHBondContact OE1-CD2 3.45Å; Q163-H174 PolarHBondContact OE1-NE2 3.16Å
164	F	35.9	Very low	37.5	Very low	26 Å²	26	71 Å²	71	11%	0.114	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.5	164	-172.7	-106.7	0	0	0	108	E42 L46 R166	E42-F164 HydrophobicContact CG-CE1 4.43Å; L46-F164 HydrophobicContact CD1-CB 4.48Å; L46-F164 HydrophobicContact CD2-CB 3.7Å; L46-F164 HydrophobicContact CG-CB 4.14Å; F164-R166 HydrophobicContact CD1-CB 4.47Å; F164-R166 HydrophobicContact CD1-CG 3.75Å; F164-R166 HydrophobicContact CE1-CB 4.28Å; F164-R166 HydrophobicContact CE1-CG 3.36Å; F164-R166 HydrophobicContact CZ-CG 4.48Å; F164-R166 PolarHBondContact O-N 2.98Å
165	D	37.6	Very low	36.9	Very low	30 Å²	30	77.9 Å²	77.9	16%	0.16	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	104.4	169.2	-175.6	-31.7	0	0	0	108.4	N167 H168 G169 K170	D165-N167 VanDerWaalsContact C-N 3.29Å; D165-N167 PolarHBondContact O-N 2.82Å; D165-N167 WeakPolarHBondContact OD1-CA 3.33Å; D165-N167 WeakPolarHBondContact OD1-CB 3.47Å; D165-N167 PolarHBondContact OD1-N 2.78Å; D165-H168 HydrophobicContact CB-CB 4.38Å; D165-H168 PolarHBondContact O-N 2.86Å; D165-H168 IonicContact OD1-CG 2.69Å; D165-H168 PolarHBondContact OD1-N 2.98Å; D165-H168 IonicContact OD1-ND1 2.89Å; D165-H168 PolarHBondContact OD1-ND1 2.89Å; D165-H168 IonicContact OD2-CE1 3.31Å; D165-H168 IonicContact OD2-CG 2.85Å; D165-H168 IonicContact OD2-ND1 3.25Å; D165-H168 PolarHBondContact OD2-ND1 3.47Å; D165-G169 WeakPolarHBondContact O-CA 3.36Å; D165-G169 PolarHBondContact O-N 3.04Å; D165-K170 PolarHBondContact N-O 3.34Å; D165-K170 VanDerWaalsContact N-O 3.08Å; D165-K170 PolarHBondContact O-N 3.03Å
166	R	32.5	Very low	36.5	Very low	78 Å²	78	81.3 Å²	81.3	29%	0.294	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.7	179.3	-106	-166.2	174.3	167.5	3	113.5	E42 W143 F164 H168	E42-R166 IonicContact OE1-CZ 3.64Å; E42-R166 VanDerWaalsContact OE1-CZ 3.25Å; E42-R166 IonicContact OE1-NE 3.46Å; E42-R166 PolarHBondContact OE1-NE 3.45Å; E42-R166 IonicContact OE1-NH2 3.29Å; E42-R166 PolarHBondContact OE1-NH2 2.67Å; E42-R166 IonicContact OE2-CZ 2.75Å; E42-R166 IonicContact OE2-NE 3.85Å; E42-R166 IonicContact OE2-NH2 3.66Å; E42-R166 PolarHBondContact OE2-NH2 3.3Å; W143-R166 VanDerWaalsContact CE3-NH1 3.33Å; W143-R166 HydrophobicContact CZ3-CG 4.14Å; F164-R166 HydrophobicContact CD1-CB 4.47Å; F164-R166 HydrophobicContact CD1-CG 3.75Å; F164-R166 HydrophobicContact CE1-CB 4.28Å; F164-R166 HydrophobicContact CE1-CG 3.36Å; F164-R166 HydrophobicContact CZ-CG 4.48Å; F164-R166 PolarHBondContact O-N 2.98Å; R166-H168 VanDerWaalsContact C-N 3.32Å
167	N	36.7	Very low	36.2	Very low	104 Å²	104	89.3 Å²	89.3	56%	0.556	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-31.1	-177.9	-72.6	-41.2	0	0	0	111.1	D144 D165	D144-N167 PolarHBondContact OD1-ND2 2.65Å; D165-N167 VanDerWaalsContact C-N 3.29Å; D165-N167 PolarHBondContact O-N 2.82Å; D165-N167 WeakPolarHBondContact OD1-CA 3.33Å; D165-N167 WeakPolarHBondContact OD1-CB 3.47Å; D165-N167 PolarHBondContact OD1-N 2.78Å
168	H	39.9	Very low	35.8	Very low	129 Å²	129	88.9 Å²	88.9	60%	0.597	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.2	177.3	-61.1	105	0	0	0	114.5	D165 R166 K170	D165-H168 HydrophobicContact CB-CB 4.38Å; D165-H168 PolarHBondContact O-N 2.86Å; D165-H168 IonicContact OD1-CG 2.69Å; D165-H168 PolarHBondContact OD1-N 2.98Å; D165-H168 IonicContact OD1-ND1 2.89Å; D165-H168 PolarHBondContact OD1-ND1 2.89Å; D165-H168 IonicContact OD2-CE1 3.31Å; D165-H168 IonicContact OD2-CG 2.85Å; D165-H168 IonicContact OD2-ND1 3.25Å; D165-H168 PolarHBondContact OD2-ND1 3.47Å; R166-H168 VanDerWaalsContact C-N 3.32Å; H168-K170 VanDerWaalsContact C-N 3.34Å; H168-K170 PolarHBondContact O-N 3.28Å
169	G	35.2	Very low	35.8	Very low	52 Å²	52	91.7 Å²	91.7	54%	0.536	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	37.8	-176.9	0	0	0	0	0	113.2	D165	D165-G169 WeakPolarHBondContact O-CA 3.36Å; D165-G169 PolarHBondContact O-N 3.04Å
170	K	40.1	Very low	35.8	Very low	144 Å²	144	91.4 Å²	91.4	63%	0.626	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.2	-174.3	-70.8	-179.2	-175.8	179.8	0	112.8	D165 H168	D165-K170 PolarHBondContact N-O 3.34Å; D165-K170 VanDerWaalsContact N-O 3.08Å; D165-K170 PolarHBondContact O-N 3.03Å; H168-K170 VanDerWaalsContact C-N 3.34Å; H168-K170 PolarHBondContact O-N 3.28Å
171	T	37.9	Very low	36	Very low	58 Å²	58	93.9 Å²	93.9	36%	0.356	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.5	164.6	-52.4	0	0	0	0	109.7	Q163	Q163-T171 CarbonylContact O-C 3.49Å; Q163-T171 WeakPolarHBondContact O-CA 3.5Å
172	V	35.9	Very low	36.2	Very low	50 Å²	50	97.4 Å²	97.4	30%	0.303	48%	0.482	S	S	.	.			trans	-101.7	123.4	174.5	-172.4	0	0	0	0	109.6	Q163 H174	Q163-V172 HydrophobicContact CB-CB 4.08Å; Q163-V172 PolarHBondContact O-N 2.89Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.46Å
173	H	37.3	Very low	36.6	Very low	101 Å²	101	98.9 Å²	98.9	47%	0.468	50%	0.502	S	S	.	.			trans	-90.9	107.8	-179.4	-60.4	-96.2	0	0	0	109.9	E161	E161-H173 WeakPolarHBondContact CB-ND1 3.14Å; E161-H173 VanDerWaalsContact CD-CE1 3.45Å; E161-H173 WeakPolarHBondContact CG-ND1 3.35Å; E161-H173 IonicContact OE1-CE1 2.67Å; E161-H173 IonicContact OE1-ND1 3.56Å; E161-H173 PolarHBondContact OE1-ND1 3.26Å; E161-H173 IonicContact OE2-CE1 3.18Å; E161-H173 PolarHBondContact OE2-CE1 3.08Å; E161-H173 IonicContact OE2-ND1 2.85Å
174	H	34.4	Very low	36.9	Very low	93 Å²	93	100 Å²	100	43%	0.431	51%	0.506	S	S	.	.			trans	-104.3	120.7	170.4	-77.7	-96.7	0	0	0	111	Q163 V172 L176	Q163-H174 PolarHBondContact NE2-CD2 3.05Å; Q163-H174 PolarHBondContact OE1-CD2 3.45Å; Q163-H174 PolarHBondContact OE1-NE2 3.16Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.46Å; H174-L176 PolarHBondContact O-N 3.23Å
175	H	33.5	Very low	37.2	Very low	172 Å²	172	105 Å²	105	80%	0.796	53%	0.53	S	S	*	.			trans	-84.7	105.8	166.9	-69.1	-59.8	0	0	0	109.7
176	L	34	Very low	37.6	Very low	79 Å²	79	107.1 Å²	107.1	41%	0.414	55%	0.548	S	S	.	.			trans	-75.9	138.7	175.4	-66.4	169.6	0	0	0	111.7	F20 H174	F20-L176 HydrophobicContact CD2-CD1 3.53Å; F20-L176 HydrophobicContact CD2-CD2 3.78Å; F20-L176 HydrophobicContact CD2-CG 4.26Å; F20-L176 HydrophobicContact CE2-CD1 3.35Å; F20-L176 HydrophobicContact CE2-CD2 3.76Å; F20-L176 HydrophobicContact CE2-CG 4Å; F20-L176 HydrophobicContact CZ-CD1 4.38Å; H174-L176 PolarHBondContact O-N 3.23Å
177	K	34.2	Very low	38.1	Very low	206 Å²	206	110 Å²	110	90%	0.896	56%	0.558	S	S	*	*			trans	-89.7	100.6	164.8	-71.8	-176.9	-179.4	176.6	0	108.9	P179	K177-P179 WeakPolarHBondContact O-CD 3.33Å
178	C	33.8	Very low	38.2	Very low	52 Å²	52	109.8 Å²	109.8	35%	0.351	55%	0.554	S	S	.	*			trans	-74	123.3	176	-59	0	0	0	0	110.2	C156 N180	C156-C178 HydrophobicContact CB-CB 4.15Å; C156-C178 WeakPolarHBondContact CB-SG 3.45Å; C156-C178 PolarHBondContact O-SG 3.48Å; C178-N180 VanDerWaalsContact C-N 3.31Å; C178-N180 PolarHBondContact O-N 3.39Å
179	P	37	Very low	38.6	Very low	108 Å²	108	109.6 Å²	109.6	70%	0.701	55%	0.554	S	S	*	*	S	Bend	trans	-73.5	-15	-175.3	23.8	-29.8	0	0	0	114.7	K177	K177-P179 WeakPolarHBondContact O-CD 3.33Å
180	N	36.8	Very low	39.1	Very low	130 Å²	130	111.7 Å²	111.7	70%	0.695	55%	0.549	S	S	*	.			trans	-132.6	62.3	-171.7	-89.7	-21	0	0	0	114.8	C178 K182	C178-N180 VanDerWaalsContact C-N 3.31Å; C178-N180 PolarHBondContact O-N 3.39Å; N180-K182 PolarHBondContact O-N 3.13Å
181	R	37	Very low	39	Very low	206 Å²	206	108.8 Å²	108.8	78%	0.777	54%	0.538	S	S	*	.	S	Bend	trans	-63.1	-25	173.6	-162.7	176.5	176.3	179.6	-0.3	114
182	K	38.7	Very low	39.4	Very low	187 Å²	187	109.5 Å²	109.5	81%	0.813	55%	0.55	S	S	*	.	H	α-helix	trans	-81.8	-30.5	-174.9	-75.8	-171.7	175.6	-175.2	0	115.4	N180 H184	N180-K182 PolarHBondContact O-N 3.13Å; K182-H184 PolarHBondContact O-N 3.03Å
183	G	42.1	Very low	39.8	Very low	55 Å²	55	114.8 Å²	114.8	57%	0.567	56%	0.564	S	S	*	*	H	α-helix	trans	-72	-8.1	177.7	0	0	0	0	0	113.2
184	H	43.9	Very low	39.9	Very low	39 Å²	39	116.9 Å²	116.9	18%	0.181	57%	0.574	C	S	.	*	H	α-helix	trans	-92.8	-46	-169.3	176.3	-114.3	0	0	0	113.4	E157 K182 S186 R187 Q188	E157-H184 WeakPolarHBondContact CG-NE2 2.95Å; E157-H184 IonicContact OE1-CD2 2.78Å; E157-H184 PolarHBondContact OE1-CD2 3.22Å; E157-H184 IonicContact OE1-CG 3.92Å; E157-H184 IonicContact OE1-NE2 2.86Å; E157-H184 PolarHBondContact OE1-NE2 3.35Å; E157-H184 IonicContact OE2-CD2 3.66Å; E157-H184 IonicContact OE2-CE1 3.69Å; E157-H184 IonicContact OE2-NE2 2.82Å; E157-H184 PolarHBondContact OE2-NE2 2.86Å; K182-H184 PolarHBondContact O-N 3.03Å; H184-S186 VanDerWaalsContact C-N 3.25Å; H184-S186 PolarHBondContact O-N 2.85Å; H184-R187 PolarHBondContact O-N 2.91Å; H184-Q188 PolarHBondContact CE1-NE2 3.2Å; H184-Q188 PolarHBondContact CE1-OE1 2.98Å; H184-Q188 WeakPolarHBondContact NE2-CG 3.42Å; H184-Q188 PolarHBondContact NE2-NE2 2.96Å; H184-Q188 PolarHBondContact O-N 2.62Å
185	E	41.8	Very low	39.8	Very low	131 Å²	131	115.7 Å²	115.7	61%	0.612	58%	0.58	S	S	*	*	H	α-helix	trans	-53.6	-44.3	177.3	-74.2	176.3	172.3	0	0	111.2	R187 E189	E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.19Å; E185-E189 WeakPolarHBondContact O-CB 3.28Å; E185-E189 PolarHBondContact O-N 2.99Å; E185-E189 VanDerWaalsContact O-N 3.13Å
186	S	46.4	Very low	39.8	Very low	76 Å²	76	113.7 Å²	113.7	53%	0.531	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-27.7	178.2	-54.2	0	0	0	0	113.9	H184 E190	H184-S186 VanDerWaalsContact C-N 3.25Å; H184-S186 PolarHBondContact O-N 2.85Å; S186-E190 PolarHBondContact O-N 3.13Å
187	R	42.5	Very low	40.2	Very low	138 Å²	138	115.6 Å²	115.6	52%	0.521	59%	0.593	S	S	.	*	H	α-helix	trans	-88.4	-36.7	-175.3	-151.3	176	-177.3	174.8	0.6	112	H184 E185 E189 E190 E191	H184-R187 PolarHBondContact O-N 2.91Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.19Å; R187-E189 VanDerWaalsContact C-N 3.33Å; R187-E190 PolarHBondContact O-N 3.05Å; R187-E191 PolarHBondContact O-N 3.33Å
188	Q	39.8	Very low	40.2	Very low	100 Å²	100	114 Å²	114	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-39.4	167.9	-75	-167	-22.1	0	0	111.8	H184 E190 E191 A192	H184-Q188 PolarHBondContact CE1-NE2 3.2Å; H184-Q188 PolarHBondContact CE1-OE1 2.98Å; H184-Q188 WeakPolarHBondContact NE2-CG 3.42Å; H184-Q188 PolarHBondContact NE2-NE2 2.96Å; H184-Q188 PolarHBondContact O-N 2.62Å; Q188-E190 VanDerWaalsContact C-N 3.26Å; Q188-E190 PolarHBondContact O-N 2.88Å; Q188-E191 PolarHBondContact O-N 3.38Å; Q188-A192 VanDerWaalsContact O-CB 3.28Å; Q188-A192 WeakPolarHBondContact O-CB 3.48Å; Q188-A192 PolarHBondContact O-N 3.42Å
189	E	47.6	Very low	40	Very low	125 Å²	125	118 Å²	118	58%	0.584	60%	0.602	S	S	*	*	H	α-helix	trans	-61.4	-37	172.8	-119.1	179.4	176.6	0	0	111.8	E185 R187 R193	E185-E189 WeakPolarHBondContact O-CB 3.28Å; E185-E189 PolarHBondContact O-N 2.99Å; E185-E189 VanDerWaalsContact O-N 3.13Å; R187-E189 VanDerWaalsContact C-N 3.33Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.36Å; E189-R193 PolarHBondContact O-N 3.33Å; E189-R193 PolarHBondContact O-NE 3.23Å
190	E	45.9	Very low	39.7	Very low	96 Å²	96	118.9 Å²	118.9	45%	0.449	61%	0.605	S	S	.	*	H	α-helix	trans	-69.9	-42.1	177.5	-164.1	162.8	-167.7	0	0	112.2	S186 R187 Q188 R193 H194	S186-E190 PolarHBondContact O-N 3.13Å; R187-E190 PolarHBondContact O-N 3.05Å; Q188-E190 VanDerWaalsContact C-N 3.26Å; Q188-E190 PolarHBondContact O-N 2.88Å; E190-R193 WeakPolarHBondContact O-CB 3.47Å; E190-R193 PolarHBondContact O-N 2.94Å; E190-H194 PolarHBondContact O-CD2 3.17Å; E190-H194 PolarHBondContact O-N 3.37Å
191	E	39	Very low	39.2	Very low	83 Å²	83	118.1 Å²	118.1	39%	0.388	61%	0.605	S	S	.	*	H	α-helix	trans	-73.5	-35.8	178.8	-71.1	176.2	178.2	0	0	112.9	R187 Q188 R193 H194 A195	R187-E191 PolarHBondContact O-N 3.33Å; Q188-E191 PolarHBondContact O-N 3.38Å; E191-R193 PolarHBondContact O-N 3.24Å; E191-H194 CarbonylContact O-C 3.47Å; E191-H194 WeakPolarHBondContact O-CA 3.43Å; E191-H194 PolarHBondContact O-N 3.2Å; E191-A195 PolarHBondContact O-N 2.86Å
192	A	46.6	Very low	38.8	Very low	73 Å²	73	113.8 Å²	113.8	60%	0.603	60%	0.602	S	S	*	*	H	α-helix	trans	-63.4	-29.8	171.3	0	0	0	0	0	112.3	Q188 H194	Q188-A192 VanDerWaalsContact O-CB 3.28Å; Q188-A192 WeakPolarHBondContact O-CB 3.48Å; Q188-A192 PolarHBondContact O-N 3.42Å; A192-H194 VanDerWaalsContact C-N 3.29Å
193	R	42.6	Very low	38.3	Very low	161 Å²	161	111 Å²	111	61%	0.608	61%	0.605	S	S	*	*	H	α-helix	trans	-71	-23.6	170.1	-73.4	-176.8	-60.8	-122.3	3.8	113.1	E189 E190 E191	E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.36Å; E189-R193 PolarHBondContact O-N 3.33Å; E189-R193 PolarHBondContact O-NE 3.23Å; E190-R193 WeakPolarHBondContact O-CB 3.47Å; E190-R193 PolarHBondContact O-N 2.94Å; E191-R193 PolarHBondContact O-N 3.24Å
194	H	39.8	Very low	37.5	Very low	144 Å²	144	116 Å²	116	67%	0.667	61%	0.614	S	S	*	*	H	α-helix	trans	-100.1	-12	-178.2	-70	-55	0	0	0	114.2	E190 E191 A192 D196	E190-H194 PolarHBondContact O-CD2 3.17Å; E190-H194 PolarHBondContact O-N 3.37Å; E191-H194 CarbonylContact O-C 3.47Å; E191-H194 WeakPolarHBondContact O-CA 3.43Å; E191-H194 PolarHBondContact O-N 3.2Å; A192-H194 VanDerWaalsContact C-N 3.29Å; H194-D196 PolarHBondContact O-N 2.97Å; H194-D196 VanDerWaalsContact O-N 3.17Å
195	A	33.3	Very low	36.7	Very low	68 Å²	68	122.4 Å²	122.4	56%	0.562	64%	0.644	S	S	*	*	S	Bend	trans	-76.9	90.9	165.3	0	0	0	0	0	108.7	E191 P197	E191-A195 PolarHBondContact O-N 2.86Å; A195-P197 WeakPolarHBondContact O-CD 3.28Å
196	D	32.2	Very low	36.2	Very low	131 Å²	131	126.8 Å²	126.8	70%	0.701	66%	0.657	S	S	*	*			trans	-58.2	120.7	-179.2	-163.5	-22.2	0	0	0	111.4	H194 Q198	H194-D196 PolarHBondContact O-N 2.97Å; H194-D196 VanDerWaalsContact O-N 3.17Å; D196-Q198 PolarHBondContact O-N 2.95Å; D196-Q198 PolarHBondContact OD1-N 3.3Å
197	P	42.7	Very low	35.2	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-5.7	-177.6	-19.9	32.2	0	0	0	116	A195	A195-P197 WeakPolarHBondContact O-CD 3.28Å
198	Q	34	Very low	34.4	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	5.4	-165.3	-91.1	-163.9	-17.2	0	0	119	D196 T200	D196-Q198 PolarHBondContact O-N 2.95Å; D196-Q198 PolarHBondContact OD1-N 3.3Å; Q198-T200 VanDerWaalsContact C-N 3.35Å; Q198-T200 PolarHBondContact O-N 3.36Å
199	E	31	Very low	33.8	Very low	138 Å²	138	134.6 Å²	134.6	65%	0.645	70%	0.704	S	S	*	*			trans	-96.4	60.5	166.6	-81.4	-164.4	174	0	0	112.3	L2 V201	L2-E199 WeakPolarHBondContact CD1-OE2 3.18Å; E199-V201 HydrophobicContact CB-CG2 4.1Å; E199-V201 HydrophobicContact CG-CG2 4.29Å; E199-V201 PolarHBondContact O-N 3.31Å
200	T	30.5	Very low	33.1	Very low	125 Å²	125	138.5 Å²	138.5	77%	0.767	74%	0.736	S	S	*	*			trans	-74.6	78	148.6	14	0	0	0	0	107.1	Q198 T202	Q198-T200 VanDerWaalsContact C-N 3.35Å; Q198-T200 PolarHBondContact O-N 3.36Å; T200-T202 PolarHBondContact O-N 3.24Å
201	V	26.9	Very low	32.4	Very low	114 Å²	114	140.7 Å²	140.7	69%	0.691	75%	0.751	S	S	*	*			trans	-64.9	106	173.7	-179.1	0	0	0	0	107.6	E199	E199-V201 HydrophobicContact CB-CG2 4.1Å; E199-V201 HydrophobicContact CG-CG2 4.29Å; E199-V201 PolarHBondContact O-N 3.31Å
202	T	28.4	Very low	32.1	Very low	116 Å²	116	143.7 Å²	143.7	71%	0.712	77%	0.77	S	S	*	*			trans	-66.6	133.6	168.2	40	0	0	0	0	108.5	T200 E204	T200-T202 PolarHBondContact O-N 3.24Å; T202-E204 PolarHBondContact O-N 3.25Å
203	S	28.5	Very low	31.3	Very low	127 Å²	127	147.6 Å²	147.6	89%	0.888	78%	0.779	S	S	*	*	S	Bend	trans	-73.4	57.1	-172.5	171.7	0	0	0	0	113.1
204	E	25.2	Very low	30.6	Very low	162 Å²	162	146.8 Å²	146.8	76%	0.757	79%	0.789	S	S	*	*			trans	-132.4	102.7	167.6	-69.1	-177	172.7	0	0	106.3	T202	T202-E204 PolarHBondContact O-N 3.25Å
205	H	26	Very low	30	Very low	173 Å²	173	147 Å²	147	80%	0.801	80%	0.797	S	S	*	*			trans	165.7	74.5	153.9	-95.7	74.5	0	0	0	109.8
206	Y	31.5	Very low	29.8	Very low	223 Å²	223	152.3 Å²	152.3	88%	0.875	81%	0.813	S	S	*	*			trans	-146.4	76.3	150.4	-71.8	-66.4	0	0	0	108.5	I208	Y206-I208 PolarHBondContact O-N 3.47Å
207	D	25.3	Very low	29.6	Very low	175 Å²	175	153.8 Å²	153.8	94%	0.936	82%	0.821	S	S	*	*			trans	-68.8	100.4	154.3	-78.6	-35.2	0	0	0	106.9
208	I	25.6	Very low	28.6	Very low	140 Å²	140	156.5 Å²	156.5	72%	0.718	82%	0.824	S	S	*	*			trans	-95.9	98.1	169.1	-57.3	174.1	0	0	0	105.9	Y206	Y206-I208 PolarHBondContact O-N 3.47Å
209	D	28	Very low	28.2	Very low	162 Å²	162	155.3 Å²	155.3	87%	0.866	83%	0.826	S	S	*	*			trans	-75.2	133.5	160.6	-96.5	-27.1	0	0	0	108.9
210	V	31.5	Very low	27.9	Very low	208 Å²	208	156.8 Å²	156.8	100%	1.261	84%	0.843	S	S	*	*			trans	-67.5	0	-169.3	-163.9	0	0	0	0	113.1

Retrieved 210 of 210 residues in 320.9 ms (Link to these results)

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