A0A077YW94_TRITR Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YW94, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.5	Very low	33.7	Very low	256 Å²	256	143.5 Å²	143.5	100%	1.261	79%	0.785	S	S	*	*				0	100.9	0	-62.3	-167.4	-129.5	0	0	106.9
2	G	31.5	Very low	34.3	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	78%	0.776	S	S	*	*			trans	-136.8	98.2	-177	0	0	0	0	0	109.2	L4	G2-L4 PolarHBondContact O-N 3.22Å
3	S	32.6	Very low	35.5	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	74%	0.738	S	S	*	*			trans	-73.3	106.6	168.4	-70	0	0	0	0	107.8	E5	S3-E5 PolarHBondContact O-N 3.14Å; S3-E5 VanDerWaalsContact O-N 3.15Å
4	L	31.1	Very low	36	Very low	166 Å²	166	131.9 Å²	131.9	87%	0.869	74%	0.735	S	S	*	*			trans	-76.2	95	167.3	-72.9	165.9	0	0	0	107.5	G2 I6	G2-L4 PolarHBondContact O-N 3.22Å; L4-I6 PolarHBondContact O-N 3Å; L4-I6 VanDerWaalsContact O-N 3.09Å
5	E	27.2	Very low	36.8	Very low	171 Å²	171	132.6 Å²	132.6	80%	0.799	75%	0.745	S	S	*	*			trans	-64.6	103.9	166.7	-73.2	-178.8	147.2	0	0	108.7	S3 Q7	S3-E5 PolarHBondContact O-N 3.14Å; S3-E5 VanDerWaalsContact O-N 3.15Å; E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 2.91Å
6	I	33	Very low	38.1	Very low	154 Å²	154	127.8 Å²	127.8	79%	0.79	72%	0.719	S	S	*	*			trans	-70.2	94.7	171	-60.5	173.9	0	0	0	107	L4 K8	L4-I6 PolarHBondContact O-N 3Å; L4-I6 VanDerWaalsContact O-N 3.09Å; I6-K8 PolarHBondContact O-N 3.37Å
7	Q	28.3	Very low	40.3	Very low	179 Å²	179	133 Å²	133	84%	0.836	73%	0.732	S	S	*	*			trans	-59.5	107.6	171.1	-71.5	-178	-21.9	0	0	109.1	E5 S9	E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 2.91Å; Q7-S9 PolarHBondContact O-N 2.93Å
8	K	33.1	Very low	42.9	Very low	184 Å²	184	126.9 Å²	126.9	80%	0.8	70%	0.698	S	S	*	*			trans	-63.9	96.6	170.9	-70.9	-178.2	176.9	-173.9	0	108.3	I6	I6-K8 PolarHBondContact O-N 3.37Å
9	S	33	Very low	45.5	Very low	72 Å²	72	125.3 Å²	125.3	50%	0.503	68%	0.683	S	S	.	*			trans	-67.1	131.5	175.8	73.4	0	0	0	0	110.2	Q7 Q11	Q7-S9 PolarHBondContact O-N 2.93Å; S9-Q11 PolarHBondContact O-N 3.45Å
10	P	35.8	Very low	47.9	Very low	130 Å²	130	124.2 Å²	124.2	84%	0.844	68%	0.682	S	S	*	*			trans	-73.4	93.3	173.7	28.6	-30.4	0	0	0	109.2	V12	P10-V12 PolarHBondContact O-N 3.3Å
11	Q	47.6	Very low	50	Low	72 Å²	72	125.2 Å²	125.2	34%	0.336	68%	0.682	S	S	.	*			trans	-82.7	104.5	177.8	-79.8	175	-12.7	0	0	111	S9 Y13	S9-Q11 PolarHBondContact O-N 3.45Å; Q11-Y13 VanDerWaalsContact O-CD2 3.22Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.47Å; Q11-Y13 PolarHBondContact O-N 3.27Å; Q11-Y13 VanDerWaalsContact O-N 3.11Å
12	V	40.9	Very low	52.8	Low	112 Å²	112	113.3 Å²	113.3	68%	0.679	62%	0.623	S	S	*	*			trans	14.9	77.5	143.8	-164	0	0	0	0	116.1	P10 A14	P10-V12 PolarHBondContact O-N 3.3Å; V12-A14 HydrophobicContact CG1-CB 3.61Å; V12-A14 PolarHBondContact O-N 3.36Å
13	Y	49.6	Very low	55.8	Low	72 Å²	72	112 Å²	112	28%	0.282	60%	0.599	S	S	.	*			trans	-87.9	36.1	156.1	-72.9	-91.1	0	0	0	110.7	Q11 T15 V16 E18 L23 L111	Q11-Y13 VanDerWaalsContact O-CD2 3.22Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.47Å; Q11-Y13 PolarHBondContact O-N 3.27Å; Q11-Y13 VanDerWaalsContact O-N 3.11Å; Y13-T15 PolarHBondContact O-N 3.14Å; Y13-V16 PolarHBondContact O-N 2.99Å; Y13-E18 HydrophobicContact CD1-CG 3.96Å; Y13-E18 HydrophobicContact CE1-CG 4.25Å; Y13-L23 HydrophobicContact CD1-CD2 4.45Å; Y13-L23 HydrophobicContact CD2-CD2 4.32Å; Y13-L23 HydrophobicContact CE1-CD2 4.09Å; Y13-L23 HydrophobicContact CE2-CD2 3.95Å; Y13-L111 HydrophobicContact CE1-CD2 3.87Å
14	A	42.5	Very low	58.9	Low	84 Å²	84	109.4 Å²	109.4	69%	0.694	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	2.3	-156	0	0	0	0	0	116.2	V12	V12-A14 HydrophobicContact CG1-CB 3.61Å; V12-A14 PolarHBondContact O-N 3.36Å
15	T	48.9	Very low	62.1	Low	143 Å²	143	103.1 Å²	103.1	88%	0.877	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-12.3	176.8	45.9	0	0	0	0	115.1	Y13	Y13-T15 PolarHBondContact O-N 3.14Å
16	V	57.6	Low	65.4	Low	55 Å²	55	95.1 Å²	95.1	33%	0.333	51%	0.506	S	S	.	.	S	Bend	trans	-134.9	116.3	178	-173.7	0	0	0	0	109.5	Y13 E18 E147	Y13-V16 PolarHBondContact O-N 2.99Å; V16-E18 PolarHBondContact O-N 3.35Å; V16-E147 HydrophobicContact CG1-CB 4.33Å
17	K	74.9	Confident	68.4	Low	217 Å²	217	90.1 Å²	90.1	94%	0.943	48%	0.479	S	S	*	.			trans	-69.4	96.8	173.5	-77.7	-175.4	178.4	178.6	0	109.3
18	E	87.5	Confident	71.7	Confident	23 Å²	23	84.2 Å²	84.2	11%	0.107	45%	0.453	C	S	.	.			trans	-72.2	144.8	173.1	-69.2	-69.6	-172.7	0	0	111.8	Y13 V16 H22 L23 R146	Y13-E18 HydrophobicContact CD1-CG 3.96Å; Y13-E18 HydrophobicContact CE1-CG 4.25Å; V16-E18 PolarHBondContact O-N 3.35Å; E18-H22 IonicContact OE2-ND1 3.98Å; E18-L23 HydrophobicContact CB-CD1 4.14Å; E18-L23 HydrophobicContact CB-CD2 3.6Å; E18-L23 HydrophobicContact CB-CG 3.61Å; E18-L23 HydrophobicContact CG-CD2 4.08Å; E18-R146 VanDerWaalsContact CD-NE 3.34Å; E18-R146 IonicContact OE1-CZ 3.13Å; E18-R146 IonicContact OE1-NE 2.78Å; E18-R146 PolarHBondContact OE1-NE 2.91Å; E18-R146 IonicContact OE1-NH2 2.83Å; E18-R146 PolarHBondContact OE1-NH2 3.35Å; E18-R146 IonicContact OE2-NE 3.19Å; E18-R146 PolarHBondContact OE2-NE 3.46Å
19	K	91.8	Very high	74.8	Confident	97 Å²	97	75.6 Å²	75.6	42%	0.422	42%	0.416	S	S	.	.			trans	-70.1	146.2	174.9	-62.6	-172.6	176.9	-162.1	0	110.4	E21 H22 L23 D143	K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 3.11Å; K19-H22 HydrophobicContact CB-CB 4.36Å; K19-H22 PolarHBondContact O-N 3.22Å; K19-L23 PolarHBondContact O-N 3.48Å; K19-D143 VanDerWaalsContact CE-O 3.29Å; K19-D143 WeakPolarHBondContact CE-O 3.35Å; K19-D143 PolarHBondContact NZ-O 2.93Å
20	P	93.3	Very high	77.9	Confident	102 Å²	102	72.8 Å²	72.8	66%	0.662	39%	0.394	S	S	*	.	H	α-helix	trans	-53.2	-42.4	178.3	-27.9	35.3	0	0	0	113.4	L23 T24	P20-L23 PolarHBondContact O-N 2.89Å; P20-T24 PolarHBondContact O-N 3.4Å; P20-T24 VanDerWaalsContact O-N 3.07Å; P20-T24 PolarHBondContact O-OG1 3.31Å
21	E	92.9	Very high	80.9	Confident	147 Å²	147	67.8 Å²	67.8	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-62.5	-44.2	177.5	-63.4	177.1	-171.4	0	0	112.1	K19 L23 T24 Y25	K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 3.11Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-L23 PolarHBondContact O-N 3.46Å; E21-T24 PolarHBondContact O-N 3.29Å; E21-Y25 WeakPolarHBondContact O-CD2 3.22Å; E21-Y25 PolarHBondContact O-N 2.99Å
22	H	96	Very high	83.2	Confident	5 Å²	5	69 Å²	69	2%	0.023	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-41.4	177.1	-65.2	166.4	0	0	0	111.6	E18 K19 T24 Y25 L26 Y114 D144	E18-H22 IonicContact OE2-ND1 3.98Å; K19-H22 HydrophobicContact CB-CB 4.36Å; K19-H22 PolarHBondContact O-N 3.22Å; H22-T24 PolarHBondContact O-N 2.7Å; H22-Y25 PolarHBondContact O-N 3.15Å; H22-L26 WeakPolarHBondContact O-CB 3.29Å; H22-L26 VanDerWaalsContact O-CG 3.28Å; H22-L26 WeakPolarHBondContact O-CG 3.28Å; H22-L26 PolarHBondContact O-N 3.37Å; H22-Y114 HydrophobicContact CB-CE1 4.05Å; H22-D144 IonicContact CD2-OD1 3.92Å; H22-D144 PolarHBondContact CE1-O 3.25Å; H22-D144 VanDerWaalsContact CE1-O 3.31Å; H22-D144 IonicContact CE1-OD1 3.79Å; H22-D144 PolarHBondContact NE2-O 3.19Å; H22-D144 IonicContact NE2-OD1 3.57Å; H22-D144 PolarHBondContact NE2-OD1 3.48Å
23	L	95.4	Very high	85.9	Confident	45 Å²	45	65.5 Å²	65.5	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-45.3	175.9	-72.9	171.3	0	0	0	111.5	Y13 E18 K19 P20 E21 Y25 L26 Q27	Y13-L23 HydrophobicContact CD1-CD2 4.45Å; Y13-L23 HydrophobicContact CD2-CD2 4.32Å; Y13-L23 HydrophobicContact CE1-CD2 4.09Å; Y13-L23 HydrophobicContact CE2-CD2 3.95Å; E18-L23 HydrophobicContact CB-CD1 4.14Å; E18-L23 HydrophobicContact CB-CD2 3.6Å; E18-L23 HydrophobicContact CB-CG 3.61Å; E18-L23 HydrophobicContact CG-CD2 4.08Å; K19-L23 PolarHBondContact O-N 3.48Å; P20-L23 PolarHBondContact O-N 2.89Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-L23 PolarHBondContact O-N 3.46Å; L23-Y25 VanDerWaalsContact C-N 3.34Å; L23-Y25 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-Q27 VanDerWaalsContact O-CB 3.26Å; L23-Q27 WeakPolarHBondContact O-CB 3.38Å; L23-Q27 WeakPolarHBondContact O-CG 3.48Å; L23-Q27 PolarHBondContact O-N 3.24Å
24	T	96.9	Very high	88.2	Confident	67 Å²	67	62.4 Å²	62.4	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-45.4	177.1	-57.8	0	0	0	0	111.7	P20 E21 H22 D28 F51	P20-T24 PolarHBondContact O-N 3.4Å; P20-T24 VanDerWaalsContact O-N 3.07Å; P20-T24 PolarHBondContact O-OG1 3.31Å; E21-T24 PolarHBondContact O-N 3.29Å; H22-T24 PolarHBondContact O-N 2.7Å; T24-D28 WeakPolarHBondContact O-CB 3.3Å; T24-D28 PolarHBondContact O-N 2.99Å; T24-F51 HydrophobicContact CG2-CE1 4.47Å; T24-F51 HydrophobicContact CG2-CE2 4.48Å; T24-F51 HydrophobicContact CG2-CZ 3.86Å
25	Y	97.8	Very high	90.8	Very high	35 Å²	35	63.2 Å²	63.2	14%	0.137	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-45	177.7	-86.1	-84.8	0	0	0	113	E21 H22 L23 Q27 F29 F51 R60 Y109 Y114 L134 H135	E21-Y25 WeakPolarHBondContact O-CD2 3.22Å; E21-Y25 PolarHBondContact O-N 2.99Å; H22-Y25 PolarHBondContact O-N 3.15Å; L23-Y25 VanDerWaalsContact C-N 3.34Å; L23-Y25 PolarHBondContact O-N 2.97Å; Y25-Q27 VanDerWaalsContact C-N 3.28Å; Y25-Q27 PolarHBondContact O-N 3.18Å; Y25-F29 HydrophobicContact CD1-CB 3.85Å; Y25-F29 AromaticContact CD1-CD2 3.93Å; Y25-F29 HydrophobicContact CD1-CD2 3.93Å; Y25-F29 AromaticContact CD1-CG 3.85Å; Y25-F29 HydrophobicContact CD1-CG 3.85Å; Y25-F29 AromaticContact CE1-CD2 3.9Å; Y25-F29 HydrophobicContact CE1-CD2 3.9Å; Y25-F29 HydrophobicContact CE1-CE2 4.26Å; Y25-F29 HydrophobicContact CE1-CG 4.28Å; Y25-F29 WeakPolarHBondContact O-CB 3.48Å; Y25-F29 PolarHBondContact O-N 3.42Å; Y25-F51 AromaticContact CD1-CE2 3.8Å; Y25-F51 HydrophobicContact CD1-CE2 3.8Å; Y25-F51 HydrophobicContact CD2-CE2 4.46Å; Y25-F51 HydrophobicContact CE1-CD2 4.25Å; Y25-F51 AromaticContact CE1-CE2 3.77Å; Y25-F51 HydrophobicContact CE1-CE2 3.77Å; Y25-F51 HydrophobicContact CE2-CE2 4.41Å; Y25-F51 HydrophobicContact CG-CE2 4.17Å; Y25-R60 PolarHBondContact O-NH1 2.94Å; Y25-Y109 HydrophobicContact CD1-CD1 4.26Å; Y25-Y109 AromaticContact CD1-CE1 3.54Å; Y25-Y109 HydrophobicContact CD1-CE1 3.54Å; Y25-Y109 HydrophobicContact CE1-CE1 4.24Å; Y25-Y109 HydrophobicContact CG-CE1 4.33Å; Y25-Y114 VanDerWaalsContact CB-CZ 3.49Å; Y25-Y114 VanDerWaalsContact CB-OH 3.27Å; Y25-Y114 WeakPolarHBondContact CB-OH 2.85Å; Y25-Y114 WeakPolarHBondContact CD2-OH 3.34Å; Y25-Y114 HydrophobicContact CG-CE2 4.42Å; Y25-Y114 AromaticContact CG-CZ 3.9Å; Y25-Y114 VanDerWaalsContact CG-OH 3.23Å; Y25-L134 PolarHBondContact OH-O 2.93Å; Y25-H135 HydrophobicContact CE1-CB 4.37Å; Y25-H135 AromaticContact CE1-ND1 3.52Å; Y25-H135 AromaticContact CZ-ND1 3.71Å; Y25-H135 PolarHBondContact OH-ND1 3.17Å
26	L	97.2	Very high	93	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-38.9	179.1	-73.1	167.1	0	0	0	111.7	H22 L23 R60 L111 Y114	H22-L26 WeakPolarHBondContact O-CB 3.29Å; H22-L26 VanDerWaalsContact O-CG 3.28Å; H22-L26 WeakPolarHBondContact O-CG 3.28Å; H22-L26 PolarHBondContact O-N 3.37Å; L23-L26 PolarHBondContact O-N 3.37Å; L26-R60 PolarHBondContact O-NH1 2.96Å; L26-R60 PolarHBondContact O-NH2 2.56Å; L26-L111 HydrophobicContact CD1-CD2 4.01Å; L26-L111 HydrophobicContact CD2-CD2 4.03Å; L26-L111 HydrophobicContact CG-CD2 4.43Å; L26-Y114 HydrophobicContact CD1-CD1 4.24Å; L26-Y114 HydrophobicContact CD2-CD1 3.66Å; L26-Y114 HydrophobicContact CD2-CG 3.91Å; L26-Y114 HydrophobicContact CG-CD1 3.69Å; L26-Y114 HydrophobicContact CG-CE1 4.27Å; L26-Y114 HydrophobicContact CG-CG 4.4Å
27	Q	96.5	Very high	94.8	Very high	49 Å²	49	59.8 Å²	59.8	23%	0.229	31%	0.307	C	S	.	.	H	α-helix	trans	-85.9	-39.9	-174.2	-65.4	-169.4	34.4	0	0	113.7	L23 Y25 V31 R62	L23-Q27 VanDerWaalsContact O-CB 3.26Å; L23-Q27 WeakPolarHBondContact O-CB 3.38Å; L23-Q27 WeakPolarHBondContact O-CG 3.48Å; L23-Q27 PolarHBondContact O-N 3.24Å; Y25-Q27 VanDerWaalsContact C-N 3.28Å; Y25-Q27 PolarHBondContact O-N 3.18Å; Q27-V31 WeakPolarHBondContact O-CG2 3.36Å; Q27-R62 VanDerWaalsContact CD-NH2 3.33Å; Q27-R62 VanDerWaalsContact CG-CZ 3.45Å
28	D	97.3	Very high	95.6	Very high	54 Å²	54	56.3 Å²	56.3	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-124.8	-17.3	-159.9	-53.7	-41.2	0	0	0	113.6	T24 R30 V31 F51	T24-D28 WeakPolarHBondContact O-CB 3.3Å; T24-D28 PolarHBondContact O-N 2.99Å; D28-R30 PolarHBondContact O-N 3.33Å; D28-V31 PolarHBondContact O-N 3.31Å; D28-V31 VanDerWaalsContact O-N 3.13Å; D28-F51 HydrophobicContact CB-CE1 3.7Å; D28-F51 HydrophobicContact CB-CZ 4.21Å; D28-F51 WeakPolarHBondContact O-CE1 3.46Å
29	F	98.1	Very high	95.9	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	116.2	-177.1	-176.6	-111.4	0	0	0	111	Y25 V31 F51 R60 I105 Y109 H135	Y25-F29 HydrophobicContact CD1-CB 3.85Å; Y25-F29 AromaticContact CD1-CD2 3.93Å; Y25-F29 HydrophobicContact CD1-CD2 3.93Å; Y25-F29 AromaticContact CD1-CG 3.85Å; Y25-F29 HydrophobicContact CD1-CG 3.85Å; Y25-F29 AromaticContact CE1-CD2 3.9Å; Y25-F29 HydrophobicContact CE1-CD2 3.9Å; Y25-F29 HydrophobicContact CE1-CE2 4.26Å; Y25-F29 HydrophobicContact CE1-CG 4.28Å; Y25-F29 WeakPolarHBondContact O-CB 3.48Å; Y25-F29 PolarHBondContact O-N 3.42Å; F29-V31 PolarHBondContact O-N 2.95Å; F29-F51 VanDerWaalsContact CA-CZ 3.44Å; F29-F51 HydrophobicContact CB-CE1 4.27Å; F29-F51 HydrophobicContact CB-CE2 3.89Å; F29-F51 HydrophobicContact CB-CZ 3.7Å; F29-F51 AromaticContact CD2-CD2 3.53Å; F29-F51 HydrophobicContact CD2-CD2 3.53Å; F29-F51 AromaticContact CD2-CE2 3.59Å; F29-F51 HydrophobicContact CD2-CE2 3.59Å; F29-F51 HydrophobicContact CD2-CG 4.03Å; F29-F51 HydrophobicContact CD2-CZ 4.16Å; F29-F51 HydrophobicContact CE2-CD2 4.22Å; F29-F51 HydrophobicContact CG-CE2 4.21Å; F29-F51 HydrophobicContact CG-CZ 4.46Å; F29-R60 PolarHBondContact O-NH1 3.49Å; F29-R60 VanDerWaalsContact O-NH1 3.17Å; F29-I105 HydrophobicContact CE1-CG2 4.44Å; F29-Y109 HydrophobicContact CB-CD1 4.42Å; F29-Y109 AromaticContact CD1-CD1 3.75Å; F29-Y109 HydrophobicContact CD1-CD1 3.75Å; F29-Y109 AromaticContact CD1-CD2 3.75Å; F29-Y109 HydrophobicContact CD1-CD2 3.75Å; F29-Y109 AromaticContact CD1-CE1 3.54Å; F29-Y109 HydrophobicContact CD1-CE1 3.54Å; F29-Y109 AromaticContact CD1-CE2 3.56Å; F29-Y109 HydrophobicContact CD1-CE2 3.56Å; F29-Y109 AromaticContact CD1-CG 3.83Å; F29-Y109 HydrophobicContact CD1-CG 3.83Å; F29-Y109 AromaticContact CD1-CZ 3.43Å; F29-Y109 VanDerWaalsContact CD1-CZ 3.43Å; F29-Y109 HydrophobicContact CE1-CD1 4.44Å; F29-Y109 AromaticContact CE1-CD2 3.87Å; F29-Y109 HydrophobicContact CE1-CD2 3.87Å; F29-Y109 AromaticContact CE1-CE1 3.92Å; F29-Y109 HydrophobicContact CE1-CE1 3.92Å; F29-Y109 AromaticContact CE1-CE2 3.28Å; F29-Y109 HydrophobicContact CE1-CE2 3.28Å; F29-Y109 HydrophobicContact CE1-CG 4.4Å; F29-Y109 AromaticContact CE1-CZ 3.29Å; F29-Y109 HydrophobicContact CG-CD1 4.34Å; F29-Y109 HydrophobicContact CG-CE1 4.08Å; F29-Y109 HydrophobicContact CZ-CE2 4.3Å; F29-H135 HydrophobicContact CE2-CB 3.94Å; F29-H135 AromaticContact CE2-CD2 3.71Å; F29-H135 AromaticContact CE2-CG 3.52Å; F29-H135 AromaticContact CE2-ND1 3.73Å; F29-H135 AromaticContact CE2-NE2 4Å; F29-H135 HydrophobicContact CZ-CB 3.74Å; F29-H135 AromaticContact CZ-CG 3.8Å
30	R	97.7	Very high	95.8	Very high	13 Å²	13	65 Å²	65	5%	0.049	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	25.2	-178.8	-56.4	-69.3	177.9	77.9	-3.2	114.3	D28 Y48 C50 F51 S52 W53 R60 I105	D28-R30 PolarHBondContact O-N 3.33Å; R30-Y48 WeakPolarHBondContact CD-OH 2.99Å; R30-Y48 PolarHBondContact NE-OH 3.25Å; R30-Y48 PolarHBondContact NH1-OH 3.32Å; R30-Y48 VanDerWaalsContact NH2-CZ 3.28Å; R30-C50 VanDerWaalsContact CZ-O 3.3Å; R30-C50 PolarHBondContact NE-O 3.37Å; R30-C50 PolarHBondContact NH2-O 3.23Å; R30-F51 WeakPolarHBondContact CA-O 3.32Å; R30-F51 WeakPolarHBondContact CD-O 3.15Å; R30-F51 PolarHBondContact N-O 2.71Å; R30-S52 WeakPolarHBondContact CD-O 3.05Å; R30-W53 VanDerWaalsContact O-CD1 3.26Å; R30-R60 HydrophobicContact CB-CB 4.14Å; R30-R60 PolarHBondContact O-N 3.16Å; R30-I105 HydrophobicContact CB-CD1 3.57Å; R30-I105 HydrophobicContact CG-CD1 3.77Å
31	V	98	Very high	95.9	Very high	24 Å²	24	63.8 Å²	63.8	15%	0.145	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-48.7	175.4	178	0	0	0	0	110.7	Q27 D28 F29 W53 R60 R62	Q27-V31 WeakPolarHBondContact O-CG2 3.36Å; D28-V31 PolarHBondContact O-N 3.31Å; D28-V31 VanDerWaalsContact O-N 3.13Å; F29-V31 PolarHBondContact O-N 2.95Å; V31-W53 PolarHBondContact O-NE1 3.26Å; V31-R60 WeakPolarHBondContact CA-O 3.34Å; V31-R62 HydrophobicContact CG2-CB 4.22Å
32	D	97.3	Very high	96.1	Very high	97 Å²	97	57.6 Å²	57.6	52%	0.519	30%	0.297	S	S	.	.	S	Bend	trans	-99	149.4	-178.3	-69.3	-39.6	0	0	0	113.1	S52 W53	D32-S52 WeakPolarHBondContact O-CA 3.4Å; D32-S52 WeakPolarHBondContact O-CB 3.21Å; D32-W53 PolarHBondContact O-N 3.06Å; D32-W53 PolarHBondContact O-NE1 3.19Å
33	P	97.1	Very high	96	Very high	39 Å²	39	65.8 Å²	65.8	25%	0.253	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-68.9	146.4	177.1	24.3	-30.7	0	0	0	111.9	T35 W53	P33-T35 PolarHBondContact O-N 2.85Å; P33-W53 HydrophobicContact CB-CD2 4.06Å; P33-W53 HydrophobicContact CB-CE3 4.22Å; P33-W53 HydrophobicContact CB-CH2 3.69Å; P33-W53 HydrophobicContact CB-CZ2 3.48Å; P33-W53 VanDerWaalsContact CB-CZ2 3.48Å; P33-W53 HydrophobicContact CB-CZ3 4.05Å; P33-W53 HydrophobicContact CG-CH2 4.34Å; P33-W53 HydrophobicContact CG-CZ2 3.84Å; P33-W53 VanDerWaalsContact N-NE1 3.19Å
34	C	97.7	Very high	95.9	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.054	35%	0.345	C	S	.	.			trans	-71.7	115.8	172.3	-174.2	0	0	0	0	110.7	F37 K38 C50 W53 H54	C34-F37 HydrophobicContact CB-CB 3.72Å; C34-F37 PolarHBondContact O-N 2.66Å; C34-F37 PolarHBondContact SG-N 3.07Å; C34-F37 VanDerWaalsContact SG-N 3.36Å; C34-K38 PolarHBondContact O-N 2.78Å; C34-C50 VanDerWaalsContact SG-SG 3.65Å; C34-W53 PolarHBondContact N-O 2.86Å; C34-H54 WeakPolarHBondContact CB-CD2 3.3Å
35	T	96.7	Very high	95.5	Very high	100 Å²	100	66.7 Å²	66.7	61%	0.613	34%	0.336	S	S	*	.	H	α-helix	trans	-64.6	-38.5	175.4	51.8	0	0	0	0	112.3	P33 F37 K38 Q39	P33-T35 PolarHBondContact O-N 2.85Å; T35-F37 VanDerWaalsContact C-N 3.34Å; T35-F37 PolarHBondContact O-N 2.74Å; T35-K38 PolarHBondContact O-N 3.19Å; T35-Q39 PolarHBondContact O-N 2.78Å
36	L	96.4	Very high	95	Very high	85 Å²	85	75.1 Å²	75.1	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-33.3	177.5	-58.7	178.5	0	0	0	112.3	Q39 H40 T41 C42	L36-Q39 CarbonylContact O-C 3.47Å; L36-Q39 PolarHBondContact O-N 2.84Å; L36-H40 PolarHBondContact O-N 3.14Å; L36-H40 VanDerWaalsContact O-N 3.12Å; L36-T41 PolarHBondContact O-N 3.24Å; L36-T41 PolarHBondContact O-OG1 2.96Å; L36-T41 VanDerWaalsContact O-OG1 3.12Å; L36-C42 HydrophobicContact CB-CB 3.94Å; L36-C42 PolarHBondContact O-N 3.04Å
37	F	95.2	Very high	94.4	Very high	41 Å²	41	79.9 Å²	79.9	18%	0.18	40%	0.399	C	S	.	.	H	α-helix	trans	-68.7	-38.6	177.3	-179	-105.4	0	0	0	111.5	C34 T35 Q39 H40 C42 H45 H54 F55	C34-F37 HydrophobicContact CB-CB 3.72Å; C34-F37 PolarHBondContact O-N 2.66Å; C34-F37 PolarHBondContact SG-N 3.07Å; C34-F37 VanDerWaalsContact SG-N 3.36Å; T35-F37 VanDerWaalsContact C-N 3.34Å; T35-F37 PolarHBondContact O-N 2.74Å; F37-Q39 PolarHBondContact O-N 3.18Å; F37-H40 PolarHBondContact O-N 3.33Å; F37-C42 HydrophobicContact CB-CB 3.96Å; F37-H45 HydrophobicContact CD2-CB 4.49Å; F37-H45 AromaticContact CD2-ND1 3.81Å; F37-H45 AromaticContact CE2-CE1 3.64Å; F37-H45 AromaticContact CE2-CG 3.98Å; F37-H45 AromaticContact CE2-ND1 3.33Å; F37-H45 VanDerWaalsContact CE2-ND1 3.33Å; F37-H45 WeakPolarHBondContact CE2-ND1 3.38Å; F37-H54 WeakPolarHBondContact CB-CD2 3.26Å; F37-H54 HydrophobicContact CD1-CB 3.55Å; F37-H54 AromaticContact CD1-CD2 3.96Å; F37-H54 AromaticContact CD1-CG 3.81Å; F37-H54 HydrophobicContact CD2-CB 4.08Å; F37-H54 AromaticContact CD2-CD2 3.87Å; F37-H54 AromaticContact CD2-CE1 3.95Å; F37-H54 AromaticContact CD2-CG 3.63Å; F37-H54 AromaticContact CD2-ND1 3.71Å; F37-H54 HydrophobicContact CE1-CB 3.62Å; F37-H54 WeakPolarHBondContact CE1-O 3.41Å; F37-H54 HydrophobicContact CE2-CB 4.14Å; F37-H54 HydrophobicContact CG-CB 3.79Å; F37-H54 AromaticContact CG-CD2 3.43Å; F37-H54 VanDerWaalsContact CG-CD2 3.43Å; F37-H54 WeakPolarHBondContact CG-CD2 3.41Å; F37-H54 AromaticContact CG-CG 3.49Å; F37-H54 VanDerWaalsContact CG-CG 3.49Å; F37-H54 AromaticContact CG-NE2 3.94Å; F37-H54 HydrophobicContact CZ-CB 3.92Å; F37-F55 HydrophobicContact CE1-CE1 4.2Å; F37-F55 HydrophobicContact CE1-CZ 4.26Å; F37-F55 HydrophobicContact CZ-CE1 4.02Å; F37-F55 HydrophobicContact CZ-CE2 4.2Å; F37-F55 AromaticContact CZ-CZ 3.68Å; F37-F55 HydrophobicContact CZ-CZ 3.68Å
38	K	90.9	Very high	94.1	Very high	145 Å²	145	80.3 Å²	80.3	63%	0.63	40%	0.399	S	S	*	.	H	α-helix	trans	-59.8	-26.4	172.1	-68.3	-176.4	176.9	-178.1	0	112.7	C34 T35	C34-K38 PolarHBondContact O-N 2.78Å; T35-K38 PolarHBondContact O-N 3.19Å
39	Q	93.2	Very high	94	Very high	128 Å²	128	80.3 Å²	80.3	60%	0.598	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	2.4	176.1	-64.7	171.4	-7	0	0	113	T35 L36 F37 T41	T35-Q39 PolarHBondContact O-N 2.78Å; L36-Q39 CarbonylContact O-C 3.47Å; L36-Q39 PolarHBondContact O-N 2.84Å; F37-Q39 PolarHBondContact O-N 3.18Å; Q39-T41 HydrophobicContact CB-CG2 4.37Å; Q39-T41 PolarHBondContact O-N 2.86Å
40	H	91.4	Very high	93.9	Very high	173 Å²	173	80.6 Å²	80.6	80%	0.801	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24	-173.5	-55.8	-81.7	0	0	0	115	L36 F37	L36-H40 PolarHBondContact O-N 3.14Å; L36-H40 VanDerWaalsContact O-N 3.12Å; F37-H40 PolarHBondContact O-N 3.33Å
41	T	95.4	Very high	93.9	Very high	77 Å²	77	82.8 Å²	82.8	47%	0.472	41%	0.413	S	S	.	.			trans	-111.4	1.4	-177.9	55.6	0	0	0	0	113.8	L36 Q39 Q43	L36-T41 PolarHBondContact O-N 3.24Å; L36-T41 PolarHBondContact O-OG1 2.96Å; L36-T41 VanDerWaalsContact O-OG1 3.12Å; Q39-T41 HydrophobicContact CB-CG2 4.37Å; Q39-T41 PolarHBondContact O-N 2.86Å; T41-Q43 PolarHBondContact O-N 2.96Å; T41-Q43 VanDerWaalsContact O-N 3.15Å
42	C	95.5	Very high	93.9	Very high	18 Å²	18	83.1 Å²	83.1	12%	0.122	42%	0.417	C	S	.	.			trans	-67.9	112	178.3	-176.6	0	0	0	0	111.7	L36 F37 N44 H54	L36-C42 HydrophobicContact CB-CB 3.94Å; L36-C42 PolarHBondContact O-N 3.04Å; F37-C42 HydrophobicContact CB-CB 3.96Å; C42-N44 VanDerWaalsContact C-N 3.28Å; C42-N44 PolarHBondContact O-N 3.11Å; C42-H54 VanDerWaalsContact SG-CE1 3.59Å; C42-H54 PolarHBondContact SG-NE2 3.4Å
43	Q	95.1	Very high	93.9	Very high	176 Å²	176	80.3 Å²	80.3	82%	0.822	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-74.4	-18.3	177.4	-62.8	-177.5	-5.7	0	0	113.1	T41 H45	T41-Q43 PolarHBondContact O-N 2.96Å; T41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; Q43-H45 PolarHBondContact O-N 2.73Å
44	N	93	Very high	93.8	Very high	82 Å²	82	79 Å²	79	44%	0.439	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-94.7	23.7	-179	-63.5	-31.5	0	0	0	113.2	C42 P47 Y48 T49 C50	C42-N44 VanDerWaalsContact C-N 3.28Å; C42-N44 PolarHBondContact O-N 3.11Å; N44-P47 CarbonylContact C-O 3.58Å; N44-Y48 WeakPolarHBondContact O-CA 3.44Å; N44-T49 WeakPolarHBondContact CB-OG1 3.44Å; N44-T49 PolarHBondContact O-N 3.35Å; N44-C50 HydrophobicContact CB-CB 3.95Å; N44-C50 PolarHBondContact O-N 2.71Å; N44-C50 VanDerWaalsContact O-N 3.08Å
45	H	89	Confident	93.7	Very high	50 Å²	50	83.6 Å²	83.6	23%	0.231	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-84.5	-34.2	174.6	176.4	76.5	0	0	0	112.3	F37 Q43 P47 Y48 H54	F37-H45 HydrophobicContact CD2-CB 4.49Å; F37-H45 AromaticContact CD2-ND1 3.81Å; F37-H45 AromaticContact CE2-CE1 3.64Å; F37-H45 AromaticContact CE2-CG 3.98Å; F37-H45 AromaticContact CE2-ND1 3.33Å; F37-H45 VanDerWaalsContact CE2-ND1 3.33Å; F37-H45 WeakPolarHBondContact CE2-ND1 3.38Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; Q43-H45 PolarHBondContact O-N 2.73Å; H45-P47 CarbonylContact C-O 3.53Å; H45-P47 CarbonylContact O-C 3.49Å; H45-Y48 WeakPolarHBondContact O-CA 3.34Å; H45-Y48 PolarHBondContact O-N 2.9Å; H45-H54 AromaticContact CG-ND1 3.93Å; H45-H54 AromaticContact ND1-CE1 3.76Å; H45-H54 AromaticContact ND1-ND1 3.15Å; H45-H54 PolarHBondContact ND1-ND1 3.32Å; H45-H54 VanDerWaalsContact ND1-ND1 3.15Å
46	R	85.7	Confident	93.6	Very high	211 Å²	211	82 Å²	82	80%	0.796	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.2	103.8	-179.1	-76.8	174.8	-169.8	-169.5	-0.3	110.7
47	P	85.9	Confident	93.5	Very high	104 Å²	104	79.7 Å²	79.7	68%	0.675	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	cis	-65	156.6	-3.7	29.2	-35	0	0	0	112.2	N44 H45 T49	N44-P47 CarbonylContact C-O 3.58Å; H45-P47 CarbonylContact C-O 3.53Å; H45-P47 CarbonylContact O-C 3.49Å; P47-T49 HydrophobicContact CB-CG2 4.48Å; P47-T49 HydrophobicContact CG-CG2 4.24Å; P47-T49 PolarHBondContact O-N 2.81Å; P47-T49 PolarHBondContact O-OG1 2.93Å
48	Y	89.8	Confident	93.5	Very high	58 Å²	58	78.5 Å²	78.5	23%	0.227	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	89.5	-178.9	-177.5	-134.4	0	0	0	111.5	R30 N44 H45 C50 S52 H54 Q58	R30-Y48 WeakPolarHBondContact CD-OH 2.99Å; R30-Y48 PolarHBondContact NE-OH 3.25Å; R30-Y48 PolarHBondContact NH1-OH 3.32Å; R30-Y48 VanDerWaalsContact NH2-CZ 3.28Å; N44-Y48 WeakPolarHBondContact O-CA 3.44Å; H45-Y48 WeakPolarHBondContact O-CA 3.34Å; H45-Y48 PolarHBondContact O-N 2.9Å; Y48-C50 HydrophobicContact CD2-CB 4.21Å; Y48-C50 HydrophobicContact CE2-CB 3.79Å; Y48-S52 PolarHBondContact OH-O 2.86Å; Y48-H54 AromaticContact CD2-CE1 3.82Å; Y48-H54 AromaticContact CD2-ND1 3.64Å; Y48-H54 AromaticContact CE2-CE1 3.63Å; Y48-H54 AromaticContact CE2-CG 3.86Å; Y48-H54 AromaticContact CE2-ND1 3.38Å; Y48-H54 WeakPolarHBondContact CE2-ND1 3.45Å; Y48-Q58 HydrophobicContact CE1-CG 4.35Å; Y48-Q58 PolarHBondContact OH-OE1 2.67Å; Y48-Q58 VanDerWaalsContact OH-OE1 3.08Å
49	T	94.4	Very high	93.8	Very high	53 Å²	53	74.7 Å²	74.7	33%	0.325	36%	0.364	S	S	.	.			trans	-119.7	13.5	179.2	54.8	0	0	0	0	111.7	N44 P47 F51 H135	N44-T49 WeakPolarHBondContact CB-OG1 3.44Å; N44-T49 PolarHBondContact O-N 3.35Å; P47-T49 HydrophobicContact CB-CG2 4.48Å; P47-T49 HydrophobicContact CG-CG2 4.24Å; P47-T49 PolarHBondContact O-N 2.81Å; P47-T49 PolarHBondContact O-OG1 2.93Å; T49-F51 PolarHBondContact O-N 3.19Å; T49-H135 PolarHBondContact O-NE2 3.09Å
50	C	96.6	Very high	94.1	Very high	10 Å²	10	68.6 Å²	68.6	7%	0.068	34%	0.335	C	S	.	.			trans	-68.4	135.8	177.7	-164.5	0	0	0	0	109.8	R30 C34 N44 Y48 S52 H54	R30-C50 VanDerWaalsContact CZ-O 3.3Å; R30-C50 PolarHBondContact NE-O 3.37Å; R30-C50 PolarHBondContact NH2-O 3.23Å; C34-C50 VanDerWaalsContact SG-SG 3.65Å; N44-C50 HydrophobicContact CB-CB 3.95Å; N44-C50 PolarHBondContact O-N 2.71Å; N44-C50 VanDerWaalsContact O-N 3.08Å; Y48-C50 HydrophobicContact CD2-CB 4.21Å; Y48-C50 HydrophobicContact CE2-CB 3.79Å; C50-S52 VanDerWaalsContact C-N 3.28Å; C50-H54 WeakPolarHBondContact CB-NE2 3.01Å; C50-H54 PolarHBondContact SG-NE2 3.27Å
51	F	97.4	Very high	94.4	Very high	59 Å²	59	60.7 Å²	60.7	26%	0.259	30%	0.298	S	S	.	.	S	Bend	trans	-69.6	-29.9	175.7	-169.9	-93	0	0	0	111.9	T24 Y25 D28 F29 R30 T49	T24-F51 HydrophobicContact CG2-CE1 4.47Å; T24-F51 HydrophobicContact CG2-CE2 4.48Å; T24-F51 HydrophobicContact CG2-CZ 3.86Å; Y25-F51 AromaticContact CD1-CE2 3.8Å; Y25-F51 HydrophobicContact CD1-CE2 3.8Å; Y25-F51 HydrophobicContact CD2-CE2 4.46Å; Y25-F51 HydrophobicContact CE1-CD2 4.25Å; Y25-F51 AromaticContact CE1-CE2 3.77Å; Y25-F51 HydrophobicContact CE1-CE2 3.77Å; Y25-F51 HydrophobicContact CE2-CE2 4.41Å; Y25-F51 HydrophobicContact CG-CE2 4.17Å; D28-F51 HydrophobicContact CB-CE1 3.7Å; D28-F51 HydrophobicContact CB-CZ 4.21Å; D28-F51 WeakPolarHBondContact O-CE1 3.46Å; F29-F51 VanDerWaalsContact CA-CZ 3.44Å; F29-F51 HydrophobicContact CB-CE1 4.27Å; F29-F51 HydrophobicContact CB-CE2 3.89Å; F29-F51 HydrophobicContact CB-CZ 3.7Å; F29-F51 AromaticContact CD2-CD2 3.53Å; F29-F51 HydrophobicContact CD2-CD2 3.53Å; F29-F51 AromaticContact CD2-CE2 3.59Å; F29-F51 HydrophobicContact CD2-CE2 3.59Å; F29-F51 HydrophobicContact CD2-CG 4.03Å; F29-F51 HydrophobicContact CD2-CZ 4.16Å; F29-F51 HydrophobicContact CE2-CD2 4.22Å; F29-F51 HydrophobicContact CG-CE2 4.21Å; F29-F51 HydrophobicContact CG-CZ 4.46Å; R30-F51 WeakPolarHBondContact CA-O 3.32Å; R30-F51 WeakPolarHBondContact CD-O 3.15Å; R30-F51 PolarHBondContact N-O 2.71Å; T49-F51 PolarHBondContact O-N 3.19Å
52	S	97.6	Very high	94.5	Very high	32 Å²	32	60.2 Å²	60.2	22%	0.224	29%	0.288	C	S	.	.	S	Bend	trans	-92.4	159	176.5	-59.9	0	0	0	0	111.9	R30 D32 Y48 C50	R30-S52 WeakPolarHBondContact CD-O 3.05Å; D32-S52 WeakPolarHBondContact O-CA 3.4Å; D32-S52 WeakPolarHBondContact O-CB 3.21Å; Y48-S52 PolarHBondContact OH-O 2.86Å; C50-S52 VanDerWaalsContact C-N 3.28Å
53	W	97.4	Very high	94.5	Very high	38 Å²	38	59.5 Å²	59.5	14%	0.144	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-81.3	148	178.1	61.8	-97.8	0	0	0	111.9	R30 V31 D32 P33 C34 V56 Q58 R59	R30-W53 VanDerWaalsContact O-CD1 3.26Å; V31-W53 PolarHBondContact O-NE1 3.26Å; D32-W53 PolarHBondContact O-N 3.06Å; D32-W53 PolarHBondContact O-NE1 3.19Å; P33-W53 HydrophobicContact CB-CD2 4.06Å; P33-W53 HydrophobicContact CB-CE3 4.22Å; P33-W53 HydrophobicContact CB-CH2 3.69Å; P33-W53 HydrophobicContact CB-CZ2 3.48Å; P33-W53 VanDerWaalsContact CB-CZ2 3.48Å; P33-W53 HydrophobicContact CB-CZ3 4.05Å; P33-W53 HydrophobicContact CG-CH2 4.34Å; P33-W53 HydrophobicContact CG-CZ2 3.84Å; P33-W53 VanDerWaalsContact N-NE1 3.19Å; C34-W53 PolarHBondContact N-O 2.86Å; W53-V56 HydrophobicContact CH2-CG2 4.42Å; W53-V56 HydrophobicContact CZ3-CG2 4.25Å; W53-Q58 HydrophobicContact CB-CB 3.86Å; W53-R59 HydrophobicContact CD2-CB 4.01Å; W53-R59 HydrophobicContact CG-CB 3.92Å; W53-R59 HydrophobicContact CG-CG 4.44Å
54	H	96.5	Very high	94.5	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.056	26%	0.256	C	S	.	.	S	Bend	trans	-103.5	-39.2	177.1	-69	165.7	0	0	0	111.8	C34 F37 C42 H45 Y48 C50	C34-H54 WeakPolarHBondContact CB-CD2 3.3Å; F37-H54 WeakPolarHBondContact CB-CD2 3.26Å; F37-H54 HydrophobicContact CD1-CB 3.55Å; F37-H54 AromaticContact CD1-CD2 3.96Å; F37-H54 AromaticContact CD1-CG 3.81Å; F37-H54 HydrophobicContact CD2-CB 4.08Å; F37-H54 AromaticContact CD2-CD2 3.87Å; F37-H54 AromaticContact CD2-CE1 3.95Å; F37-H54 AromaticContact CD2-CG 3.63Å; F37-H54 AromaticContact CD2-ND1 3.71Å; F37-H54 HydrophobicContact CE1-CB 3.62Å; F37-H54 WeakPolarHBondContact CE1-O 3.41Å; F37-H54 HydrophobicContact CE2-CB 4.14Å; F37-H54 HydrophobicContact CG-CB 3.79Å; F37-H54 AromaticContact CG-CD2 3.43Å; F37-H54 VanDerWaalsContact CG-CD2 3.43Å; F37-H54 WeakPolarHBondContact CG-CD2 3.41Å; F37-H54 AromaticContact CG-CG 3.49Å; F37-H54 VanDerWaalsContact CG-CG 3.49Å; F37-H54 AromaticContact CG-NE2 3.94Å; F37-H54 HydrophobicContact CZ-CB 3.92Å; C42-H54 VanDerWaalsContact SG-CE1 3.59Å; C42-H54 PolarHBondContact SG-NE2 3.4Å; H45-H54 AromaticContact CG-ND1 3.93Å; H45-H54 AromaticContact ND1-CE1 3.76Å; H45-H54 AromaticContact ND1-ND1 3.15Å; H45-H54 PolarHBondContact ND1-ND1 3.32Å; H45-H54 VanDerWaalsContact ND1-ND1 3.15Å; Y48-H54 AromaticContact CD2-CE1 3.82Å; Y48-H54 AromaticContact CD2-ND1 3.64Å; Y48-H54 AromaticContact CE2-CE1 3.63Å; Y48-H54 AromaticContact CE2-CG 3.86Å; Y48-H54 AromaticContact CE2-ND1 3.38Å; Y48-H54 WeakPolarHBondContact CE2-ND1 3.45Å; C50-H54 WeakPolarHBondContact CB-NE2 3.01Å; C50-H54 PolarHBondContact SG-NE2 3.27Å
55	F	94.9	Very high	94.5	Very high	103 Å²	103	52.3 Å²	52.3	45%	0.452	25%	0.249	S	C	.	.	S	Bend	trans	-118.3	153.8	176.7	-56.5	-74.3	0	0	0	110.6	F37 N57 Q58	F37-F55 HydrophobicContact CE1-CE1 4.2Å; F37-F55 HydrophobicContact CE1-CZ 4.26Å; F37-F55 HydrophobicContact CZ-CE1 4.02Å; F37-F55 HydrophobicContact CZ-CE2 4.2Å; F37-F55 AromaticContact CZ-CZ 3.68Å; F37-F55 HydrophobicContact CZ-CZ 3.68Å; F55-N57 VanDerWaalsContact C-N 3.27Å; F55-N57 VanDerWaalsContact CB-OD1 3.27Å; F55-N57 WeakPolarHBondContact CB-OD1 3.3Å; F55-N57 PolarHBondContact O-N 3.46Å; F55-Q58 HydrophobicContact CB-CG 4.44Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.39Å; F55-Q58 PolarHBondContact O-N 3.23Å
56	V	95.2	Very high	94.6	Very high	67 Å²	67	55.1 Å²	55.1	41%	0.406	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.5	-36.1	-174.3	179.5	0	0	0	0	112	W53 Q58 R59	W53-V56 HydrophobicContact CH2-CG2 4.42Å; W53-V56 HydrophobicContact CZ3-CG2 4.25Å; V56-Q58 PolarHBondContact O-N 3.04Å; V56-Q58 VanDerWaalsContact O-N 3.08Å; V56-R59 WeakPolarHBondContact O-CB 3.34Å; V56-R59 PolarHBondContact O-N 2.81Å
57	N	93.1	Very high	94.8	Very high	37 Å²	37	52 Å²	52	20%	0.198	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67	-5	174.4	69.3	-17.5	0	0	0	114.9	F55 V101 Y102	F55-N57 VanDerWaalsContact C-N 3.27Å; F55-N57 VanDerWaalsContact CB-OD1 3.27Å; F55-N57 WeakPolarHBondContact CB-OD1 3.3Å; F55-N57 PolarHBondContact O-N 3.46Å; N57-V101 VanDerWaalsContact O-CG1 3.24Å; N57-V101 WeakPolarHBondContact O-CG1 3.48Å; N57-Y102 VanDerWaalsContact O-CB 3.27Å; N57-Y102 WeakPolarHBondContact O-CB 3.47Å; N57-Y102 PolarHBondContact O-N 2.91Å
58	Q	95.9	Very high	95.1	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.075	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-101.4	-4.7	171.9	-57.9	170.7	-24.8	0	0	112.4	Y48 W53 F55 V56 Y102 I105	Y48-Q58 HydrophobicContact CE1-CG 4.35Å; Y48-Q58 PolarHBondContact OH-OE1 2.67Å; Y48-Q58 VanDerWaalsContact OH-OE1 3.08Å; W53-Q58 HydrophobicContact CB-CB 3.86Å; F55-Q58 HydrophobicContact CB-CG 4.44Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.39Å; F55-Q58 PolarHBondContact O-N 3.23Å; V56-Q58 PolarHBondContact O-N 3.04Å; V56-Q58 VanDerWaalsContact O-N 3.08Å; Q58-Y102 HydrophobicContact CG-CD1 4.49Å; Q58-Y102 HydrophobicContact CG-CG 4.46Å; Q58-I105 WeakPolarHBondContact O-CD1 3.39Å
59	R	97.9	Very high	95	Very high	65 Å²	65	49.3 Å²	49.3	25%	0.245	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-74.2	125.9	179.5	179	178.5	174.7	-90.8	-2.8	110.2	W53 V56 D93 V101	W53-R59 HydrophobicContact CD2-CB 4.01Å; W53-R59 HydrophobicContact CG-CB 3.92Å; W53-R59 HydrophobicContact CG-CG 4.44Å; V56-R59 WeakPolarHBondContact O-CB 3.34Å; V56-R59 PolarHBondContact O-N 2.81Å; R59-D93 IonicContact CZ-OD1 3.61Å; R59-D93 VanDerWaalsContact CZ-OD1 3.29Å; R59-D93 IonicContact CZ-OD2 3.29Å; R59-D93 IonicContact NH1-OD1 2.77Å; R59-D93 PolarHBondContact NH1-OD1 2.99Å; R59-D93 IonicContact NH1-OD2 2.72Å; R59-D93 IonicContact NH2-OD1 3.64Å; R59-D93 PolarHBondContact NH2-OD1 3.26Å; R59-D93 IonicContact NH2-OD2 2.95Å; R59-D93 PolarHBondContact NH2-OD2 3.45Å; R59-V101 VanDerWaalsContact O-CG1 3.23Å; R59-V101 WeakPolarHBondContact O-CG1 3.27Å; R59-V101 VanDerWaalsContact O-CG2 3.31Å; R59-V101 WeakPolarHBondContact O-CG2 3.4Å
60	R	98	Very high	94.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-100.2	136.2	172.3	160.7	170.8	172.9	-95.5	-2.6	109.9	Y25 L26 F29 R30 V31 I105 E106 Y109	Y25-R60 PolarHBondContact O-NH1 2.94Å; L26-R60 PolarHBondContact O-NH1 2.96Å; L26-R60 PolarHBondContact O-NH2 2.56Å; F29-R60 PolarHBondContact O-NH1 3.49Å; F29-R60 VanDerWaalsContact O-NH1 3.17Å; R30-R60 HydrophobicContact CB-CB 4.14Å; R30-R60 PolarHBondContact O-N 3.16Å; V31-R60 WeakPolarHBondContact CA-O 3.34Å; R60-I105 HydrophobicContact CB-CD1 3.72Å; R60-I105 HydrophobicContact CB-CG1 4.06Å; R60-E106 HydrophobicContact CB-CG 4.33Å; R60-E106 HydrophobicContact CG-CG 4.02Å; R60-Y109 VanDerWaalsContact NE-CB 3.33Å; R60-Y109 PolarHBondContact NH2-O 3.01Å
61	R	98.1	Very high	94.8	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.023	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-77.3	133.7	165.3	-61.4	175	-63.6	154.2	6.8	110.1	C63 Y73 D93 C95 F97 H99 E106	R61-C63 PolarHBondContact O-N 2.9Å; R61-Y73 HydrophobicContact CB-CD1 4.44Å; R61-Y73 HydrophobicContact CB-CE1 3.94Å; R61-Y73 WeakPolarHBondContact O-CE1 3.43Å; R61-Y73 PolarHBondContact O-OH 2.79Å; R61-D93 WeakPolarHBondContact CD-OD1 3.29Å; R61-D93 VanDerWaalsContact CG-OD1 3.29Å; R61-D93 WeakPolarHBondContact CG-OD1 3.39Å; R61-C95 PolarHBondContact NH1-O 3.43Å; R61-F97 PolarHBondContact NH2-O 2.84Å; R61-H99 VanDerWaalsContact CZ-CE1 3.45Å; R61-H99 PolarHBondContact NE-ND1 3.2Å; R61-E106 WeakPolarHBondContact CB-OE1 3.46Å; R61-E106 WeakPolarHBondContact CG-OE1 3.31Å; R61-E106 IonicContact CZ-OE1 2.77Å; R61-E106 IonicContact CZ-OE2 3.56Å; R61-E106 PolarHBondContact N-OE1 3.04Å; R61-E106 VanDerWaalsContact N-OE1 3.14Å; R61-E106 IonicContact NE-OE1 3.71Å; R61-E106 PolarHBondContact NE-OE1 2.98Å; R61-E106 IonicContact NE-OE2 3.49Å; R61-E106 IonicContact NH2-OE1 3.98Å; R61-E106 IonicContact NH2-OE2 3.35Å; R61-E106 PolarHBondContact NH2-OE2 3.29Å
62	R	97.2	Very high	94.8	Very high	68 Å²	68	45.5 Å²	45.5	26%	0.257	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61.1	126.9	173.5	177.1	176.2	168.4	158.2	-4	109.4	Q27 V31 I64 N72	Q27-R62 VanDerWaalsContact CD-NH2 3.33Å; Q27-R62 VanDerWaalsContact CG-CZ 3.45Å; V31-R62 HydrophobicContact CG2-CB 4.22Å; R62-I64 HydrophobicContact CG-CG1 4.27Å; R62-N72 PolarHBondContact O-ND2 3Å
63	C	95.9	Very high	94.7	Very high	2 Å²	2	44 Å²	44	1%	0.014	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-71.4	132.3	170.5	177.6	0	0	0	0	109.3	R61 N72 Y73 H110 L111	R61-C63 PolarHBondContact O-N 2.9Å; C63-N72 WeakPolarHBondContact CA-OD1 3.4Å; C63-Y73 HydrophobicContact CB-CE1 4.2Å; C63-Y73 PolarHBondContact N-OH 2.91Å; C63-H110 VanDerWaalsContact SG-CD2 3.53Å; C63-H110 PolarHBondContact SG-CE1 3.21Å; C63-H110 PolarHBondContact SG-NE2 2.91Å; C63-L111 HydrophobicContact CB-CG 4.19Å
64	I	94.4	Very high	94.5	Very high	51 Å²	51	43.3 Å²	43.3	26%	0.262	21%	0.212	S	C	.	.			trans	-130	127.5	-179.7	-62.5	169.6	0	0	0	107.7	R62 F71 N72	R62-I64 HydrophobicContact CG-CG1 4.27Å; I64-F71 CarbonylContact O-C 3.46Å; I64-F71 WeakPolarHBondContact O-CA 3.28Å; I64-N72 HydrophobicContact CB-CB 4.23Å; I64-N72 PolarHBondContact N-OD1 3Å; I64-N72 PolarHBondContact O-N 3.32Å; I64-N72 PolarHBondContact O-OD1 3.13Å
65	L	93	Very high	94.2	Very high	57 Å²	57	43.2 Å²	43.2	30%	0.298	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-84.5	113.1	163.9	-174.6	67.4	0	0	0	107.8	F71 L111 V149	L65-F71 HydrophobicContact CB-CD1 4.31Å; L65-F71 HydrophobicContact CB-CE1 4.22Å; L65-F71 HydrophobicContact CD1-CD1 4Å; L65-F71 HydrophobicContact CD1-CE1 3.85Å; L65-F71 HydrophobicContact CD1-CZ 4.36Å; L65-L111 HydrophobicContact CB-CD1 4.27Å; L65-V149 HydrophobicContact CD2-CG1 3.97Å
66	R	92.6	Very high	93.8	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.408	20%	0.202	S	C	.	.			trans	-72.9	163.9	178.9	-65.9	-175.8	179.9	114.6	-0.3	110.5	D68 G69 T70 F71 N72	R66-D68 WeakPolarHBondContact CB-OD1 3.43Å; R66-D68 PolarHBondContact O-N 2.9Å; R66-D68 VanDerWaalsContact O-N 3.17Å; R66-G69 PolarHBondContact O-N 3.39Å; R66-T70 WeakPolarHBondContact CB-O 3.26Å; R66-T70 PolarHBondContact N-O 3.41Å; R66-F71 PolarHBondContact NH1-O 2.95Å; R66-N72 PolarHBondContact NH2-O 3.48Å
67	N	90.2	Very high	93.4	Very high	147 Å²	147	41.7 Å²	41.7	79%	0.786	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23	177.6	-64.6	-7.3	0	0	0	113.4	G69	N67-G69 PolarHBondContact O-N 2.9Å
68	D	90.2	Very high	93.3	Very high	99 Å²	99	42.7 Å²	42.7	53%	0.529	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.8	174.8	67.6	2.7	0	0	0	113.3	R66 T70	R66-D68 WeakPolarHBondContact CB-OD1 3.43Å; R66-D68 PolarHBondContact O-N 2.9Å; R66-D68 VanDerWaalsContact O-N 3.17Å; D68-T70 VanDerWaalsContact C-N 3.34Å; D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 WeakPolarHBondContact OD1-CB 3.17Å; D68-T70 PolarHBondContact OD1-N 3.3Å; D68-T70 PolarHBondContact OD1-OG1 3.45Å; D68-T70 PolarHBondContact OD2-OG1 3.03Å
69	G	88.2	Confident	93.1	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	21%	0.208	C	C	.	.	S	Bend	trans	79.7	9.8	-179.1	0	0	0	0	0	115	R66 N67 E151 L152	R66-G69 PolarHBondContact O-N 3.39Å; N67-G69 PolarHBondContact O-N 2.9Å; G69-E151 CarbonylContact O-C 3.51Å; G69-E151 WeakPolarHBondContact O-CA 3.39Å; G69-E151 VanDerWaalsContact O-CB 3.32Å; G69-E151 WeakPolarHBondContact O-CB 3.29Å; G69-L152 PolarHBondContact O-N 3.43Å
70	T	92.9	Very high	92.8	Very high	17 Å²	17	46.4 Å²	46.4	10%	0.104	24%	0.238	C	C	.	.			trans	-99.9	151.8	174.8	68.6	0	0	0	0	111.7	R66 D68 E151	R66-T70 WeakPolarHBondContact CB-O 3.26Å; R66-T70 PolarHBondContact N-O 3.41Å; D68-T70 VanDerWaalsContact C-N 3.34Å; D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 WeakPolarHBondContact OD1-CB 3.17Å; D68-T70 PolarHBondContact OD1-N 3.3Å; D68-T70 PolarHBondContact OD1-OG1 3.45Å; D68-T70 PolarHBondContact OD2-OG1 3.03Å; T70-E151 WeakPolarHBondContact CA-OE1 3.29Å
71	F	94.9	Very high	92.5	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.026	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-76.6	152.4	169.5	-65.7	-61.3	0	0	0	111	I64 L65 R66 Y73 P75 H110 L111 V149 E151	I64-F71 CarbonylContact O-C 3.46Å; I64-F71 WeakPolarHBondContact O-CA 3.28Å; L65-F71 HydrophobicContact CB-CD1 4.31Å; L65-F71 HydrophobicContact CB-CE1 4.22Å; L65-F71 HydrophobicContact CD1-CD1 4Å; L65-F71 HydrophobicContact CD1-CE1 3.85Å; L65-F71 HydrophobicContact CD1-CZ 4.36Å; R66-F71 PolarHBondContact NH1-O 2.95Å; F71-Y73 WeakPolarHBondContact CB-O 3.2Å; F71-Y73 PolarHBondContact O-N 3.17Å; F71-P75 HydrophobicContact CD2-CG 4.42Å; F71-H110 AromaticContact CD1-CE1 3.73Å; F71-H110 AromaticContact CD2-CE1 3.56Å; F71-H110 AromaticContact CE1-CE1 3.91Å; F71-H110 AromaticContact CE2-CE1 3.74Å; F71-H110 AromaticContact CG-CE1 3.56Å; F71-H110 AromaticContact CG-NE2 3.98Å; F71-H110 AromaticContact CZ-CE1 3.91Å; F71-L111 HydrophobicContact CD1-CD1 4.42Å; F71-L111 HydrophobicContact CE1-CB 3.91Å; F71-L111 HydrophobicContact CE1-CD1 3.99Å; F71-L111 HydrophobicContact CZ-CB 4.44Å; F71-V149 HydrophobicContact CE1-CG1 4.05Å; F71-V149 HydrophobicContact CZ-CB 4.22Å; F71-V149 HydrophobicContact CZ-CG1 3.93Å; F71-V149 WeakPolarHBondContact CZ-O 3.35Å; F71-E151 HydrophobicContact CD2-CG 3.27Å; F71-E151 HydrophobicContact CE2-CG 3.55Å; F71-E151 HydrophobicContact CG-CG 4.09Å; F71-E151 PolarHBondContact N-OE1 3.39Å
72	N	96.3	Very high	92.2	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.102	26%	0.264	C	S	.	.	S	Bend	trans	-64.5	-29.4	174.1	63.5	-31.2	0	0	0	113.7	R62 C63 I64 R66	R62-N72 PolarHBondContact O-ND2 3Å; C63-N72 WeakPolarHBondContact CA-OD1 3.4Å; I64-N72 HydrophobicContact CB-CB 4.23Å; I64-N72 PolarHBondContact N-OD1 3Å; I64-N72 PolarHBondContact O-N 3.32Å; I64-N72 PolarHBondContact O-OD1 3.13Å; R66-N72 PolarHBondContact NH2-O 3.48Å
73	Y	96.9	Very high	91.9	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-142.1	152.6	167.9	58.3	-91.7	0	0	0	110.3	R61 C63 F71 P96 L98 E106 H110	R61-Y73 HydrophobicContact CB-CD1 4.44Å; R61-Y73 HydrophobicContact CB-CE1 3.94Å; R61-Y73 WeakPolarHBondContact O-CE1 3.43Å; R61-Y73 PolarHBondContact O-OH 2.79Å; C63-Y73 HydrophobicContact CB-CE1 4.2Å; C63-Y73 PolarHBondContact N-OH 2.91Å; F71-Y73 WeakPolarHBondContact CB-O 3.2Å; F71-Y73 PolarHBondContact O-N 3.17Å; Y73-P96 CarbonylContact C-O 3.5Å; Y73-P96 VanDerWaalsContact CA-O 3.31Å; Y73-P96 WeakPolarHBondContact CA-O 3.34Å; Y73-L98 HydrophobicContact CD2-CD1 3.91Å; Y73-L98 HydrophobicContact CE2-CD1 3.74Å; Y73-E106 HydrophobicContact CE2-CB 4.13Å; Y73-E106 HydrophobicContact CE2-CG 4.5Å; Y73-H110 AromaticContact CE2-CD2 3.45Å; Y73-H110 VanDerWaalsContact CE2-CD2 3.45Å; Y73-H110 WeakPolarHBondContact CE2-CD2 3.49Å; Y73-H110 AromaticContact CE2-NE2 3.95Å; Y73-H110 AromaticContact CZ-CD2 3.97Å; Y73-H110 PolarHBondContact O-NE2 2.85Å
74	S	92.7	Very high	91.7	Very high	23 Å²	23	57.1 Å²	57.1	16%	0.161	29%	0.291	C	S	.	.			trans	-61.3	139	-179.9	-179.1	0	0	0	0	111.5	D76 I77 P96 L98	S74-D76 PolarHBondContact O-N 3.15Å; S74-D76 PolarHBondContact OG-N 3.37Å; S74-D76 VanDerWaalsContact OG-N 3.09Å; S74-I77 PolarHBondContact OG-N 3.12Å; S74-P96 PolarHBondContact N-O 3.09Å; S74-L98 WeakPolarHBondContact O-CB 3.41Å
75	P	89.7	Confident	91.3	Very high	10 Å²	10	61.5 Å²	61.5	7%	0.065	32%	0.315	C	S	.	.	S	Bend	trans	-69	-16.8	167.9	24.6	-31	0	0	0	113.3	F71 R107 R112 Y113	F71-P75 HydrophobicContact CD2-CG 4.42Å; P75-R107 PolarHBondContact O-NH1 2.8Å; P75-R112 HydrophobicContact CB-CB 4Å; P75-R112 HydrophobicContact CB-CG 4.17Å; P75-R112 HydrophobicContact CG-CB 4.43Å; P75-R112 HydrophobicContact CG-CG 4.36Å; P75-Y113 HydrophobicContact CB-CD2 4.41Å; P75-Y113 HydrophobicContact CB-CE2 3.74Å; P75-Y113 WeakPolarHBondContact O-CE2 3.31Å
76	D	86.2	Confident	91.3	Very high	44 Å²	44	62.1 Å²	62.1	24%	0.235	32%	0.321	C	S	.	.	S	Bend	trans	-122.4	-36.9	-161.6	-81.4	-57.5	0	0	0	114.9	S74 R107 Y113 R204	S74-D76 PolarHBondContact O-N 3.15Å; S74-D76 PolarHBondContact OG-N 3.37Å; S74-D76 VanDerWaalsContact OG-N 3.09Å; D76-R107 IonicContact OD1-CZ 2.86Å; D76-R107 IonicContact OD1-NH1 3.52Å; D76-R107 IonicContact OD1-NH2 3.85Å; D76-R107 PolarHBondContact OD1-NH2 3.3Å; D76-Y113 VanDerWaalsContact CG-OH 3.31Å; D76-Y113 PolarHBondContact OD1-OH 3.3Å; D76-Y113 PolarHBondContact OD2-OH 2.75Å; D76-R204 HydrophobicContact CB-CB 4.29Å
77	I	87.4	Confident	91.4	Very high	94 Å²	94	57.5 Å²	57.5	48%	0.482	31%	0.307	S	S	.	.			trans	-95.6	110.8	-171.4	-56	174.8	0	0	0	108.8	S74 F97 L98	S74-I77 PolarHBondContact OG-N 3.12Å; I77-F97 HydrophobicContact CB-CD1 4Å; I77-F97 HydrophobicContact CG2-CD1 3.53Å; I77-F97 HydrophobicContact CG2-CE1 3.87Å; I77-F97 HydrophobicContact CG2-CG 4.49Å; I77-F97 CarbonylContact O-C 3.43Å; I77-F97 WeakPolarHBondContact O-CA 3.27Å; I77-F97 WeakPolarHBondContact O-CB 3.45Å; I77-L98 WeakPolarHBondContact O-CB 3.17Å; I77-L98 PolarHBondContact O-N 3.33Å
78	Y	90.3	Very high	91.6	Very high	59 Å²	59	54.4 Å²	54.4	23%	0.231	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-72.1	141.3	177.8	-72.5	-86.2	0	0	0	112.7	L98 R100 D104 R107	Y78-L98 CarbonylContact C-O 3.34Å; Y78-L98 VanDerWaalsContact CA-O 3.29Å; Y78-L98 WeakPolarHBondContact CA-O 3.41Å; Y78-L98 HydrophobicContact CD1-CB 4.2Å; Y78-L98 HydrophobicContact CD1-CD2 3.77Å; Y78-L98 HydrophobicContact CD1-CG 3.98Å; Y78-L98 HydrophobicContact CD2-CD2 4.32Å; Y78-L98 HydrophobicContact CE1-CD2 3.37Å; Y78-L98 HydrophobicContact CE1-CG 3.89Å; Y78-L98 HydrophobicContact CE2-CD2 3.98Å; Y78-L98 HydrophobicContact CG-CD2 4.24Å; Y78-L98 VanDerWaalsContact CZ-CD2 3.49Å; Y78-R100 HydrophobicContact CD1-CB 4.07Å; Y78-R100 HydrophobicContact CE1-CB 4.12Å; Y78-R100 HydrophobicContact CE1-CG 4.26Å; Y78-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y78-D104 VanDerWaalsContact OH-CG 3.23Å; Y78-D104 PolarHBondContact OH-OD1 3.14Å; Y78-D104 PolarHBondContact OH-OD2 3.21Å; Y78-D104 VanDerWaalsContact OH-OD2 3.11Å; Y78-R107 WeakPolarHBondContact OH-CD 3.44Å
79	C	91.3	Very high	91.9	Very high	13 Å²	13	50 Å²	50	9%	0.088	27%	0.27	C	S	.	.			trans	-72.9	123.8	172.4	-174.2	0	0	0	0	110.1	K81 C95 F97 L98	C79-K81 VanDerWaalsContact C-N 3.29Å; C79-K81 PolarHBondContact SG-N 3.42Å; C79-K81 VanDerWaalsContact SG-N 3.4Å; C79-C95 PolarHBondContact SG-SG 2.84Å; C79-F97 HydrophobicContact CB-CB 3.73Å; C79-L98 PolarHBondContact N-O 3.37Å
80	V	92.2	Very high	92.4	Very high	145 Å²	145	54.4 Å²	54.4	88%	0.879	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.4	175.1	-61.4	0	0	0	0	113.4
81	K	92.9	Very high	92.6	Very high	112 Å²	112	55.9 Å²	55.9	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.5	-178.6	-50.4	-179.2	-165.7	162.6	0	113.4	C79 P90 D91	C79-K81 VanDerWaalsContact C-N 3.29Å; C79-K81 PolarHBondContact SG-N 3.42Å; C79-K81 VanDerWaalsContact SG-N 3.4Å; K81-P90 HydrophobicContact CB-CG 4.3Å; K81-P90 VanDerWaalsContact O-CD 3.31Å; K81-P90 WeakPolarHBondContact O-CD 3.19Å; K81-D91 IonicContact NZ-OD1 3.54Å; K81-D91 IonicContact NZ-OD2 3.56Å; K81-D91 PolarHBondContact NZ-OD2 3.21Å
82	Y	90.8	Very high	92.6	Very high	21 Å²	21	60.1 Å²	60.1	8%	0.082	33%	0.328	C	S	.	.			trans	-76.7	124.7	179.6	-179.9	-101	0	0	0	109.6	E84 G87 C89 H99 R100	Y82-E84 HydrophobicContact CD1-CG 4.13Å; Y82-E84 HydrophobicContact CE1-CG 4.32Å; Y82-G87 VanDerWaalsContact CE2-C 3.47Å; Y82-G87 WeakPolarHBondContact CE2-O 3.27Å; Y82-G87 VanDerWaalsContact OH-CA 3.32Å; Y82-G87 WeakPolarHBondContact OH-CA 3.32Å; Y82-C89 HydrophobicContact CD2-CB 4.08Å; Y82-H99 HydrophobicContact CD1-CB 4.02Å; Y82-H99 HydrophobicContact CD2-CB 3.56Å; Y82-H99 AromaticContact CD2-CD2 3.65Å; Y82-H99 AromaticContact CD2-CE1 3.92Å; Y82-H99 AromaticContact CD2-CG 3.28Å; Y82-H99 AromaticContact CD2-ND1 3.47Å; Y82-H99 WeakPolarHBondContact CD2-ND1 3.31Å; Y82-H99 HydrophobicContact CE1-CB 4.13Å; Y82-H99 HydrophobicContact CE2-CB 3.69Å; Y82-H99 AromaticContact CE2-CG 3.71Å; Y82-H99 AromaticContact CE2-ND1 3.67Å; Y82-H99 HydrophobicContact CG-CB 3.72Å; Y82-H99 AromaticContact CG-CD2 3.87Å; Y82-H99 AromaticContact CG-CG 3.73Å; Y82-R100 WeakPolarHBondContact CE1-O 3.36Å
83	D	90.9	Very high	92.6	Very high	66 Å²	66	62.6 Å²	62.6	35%	0.353	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-88.3	111.3	174.5	176.8	-5.1	0	0	0	109.9	N85 T86 G87 V88	D83-N85 VanDerWaalsContact C-N 3.26Å; D83-N85 PolarHBondContact O-N 2.81Å; D83-N85 WeakPolarHBondContact OD1-CB 3.32Å; D83-N85 PolarHBondContact OD1-N 2.92Å; D83-T86 VanDerWaalsContact CB-OG1 3.32Å; D83-T86 WeakPolarHBondContact CB-OG1 3.14Å; D83-T86 PolarHBondContact OD1-N 3.3Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.22Å; D83-T86 PolarHBondContact OD2-OG1 3.48Å; D83-G87 VanDerWaalsContact O-CA 3.25Å; D83-G87 WeakPolarHBondContact O-CA 3.26Å; D83-G87 PolarHBondContact O-N 3.29Å; D83-V88 PolarHBondContact N-O 3.37Å
84	E	91	Very high	92.6	Very high	103 Å²	103	72.6 Å²	72.6	48%	0.481	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.2	-178	-59.2	-177.3	-160.7	0	0	113.4	Y82 R100	Y82-E84 HydrophobicContact CD1-CG 4.13Å; Y82-E84 HydrophobicContact CE1-CG 4.32Å; E84-R100 HydrophobicContact CG-CB 4.19Å; E84-R100 WeakPolarHBondContact OE1-CD 3.28Å; E84-R100 IonicContact OE1-NE 3.61Å; E84-R100 PolarHBondContact OE1-NE 3Å
85	N	86.3	Confident	92.8	Very high	142 Å²	142	71.5 Å²	71.5	76%	0.759	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-47	180	-64.2	-44.9	0	0	0	110.9	D83	D83-N85 VanDerWaalsContact C-N 3.26Å; D83-N85 PolarHBondContact O-N 2.81Å; D83-N85 WeakPolarHBondContact OD1-CB 3.32Å; D83-N85 PolarHBondContact OD1-N 2.92Å
86	T	94	Very high	93.1	Very high	71 Å²	71	74.3 Å²	74.3	44%	0.436	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-26.2	-177.7	61.4	0	0	0	0	112.9	D83	D83-T86 VanDerWaalsContact CB-OG1 3.32Å; D83-T86 WeakPolarHBondContact CB-OG1 3.14Å; D83-T86 PolarHBondContact OD1-N 3.3Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.22Å; D83-T86 PolarHBondContact OD2-OG1 3.48Å
87	G	93.3	Very high	93.6	Very high	11 Å²	11	76.4 Å²	76.4	11%	0.113	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	17.7	-175.5	0	0	0	0	0	114.4	Y82 D83	Y82-G87 VanDerWaalsContact CE2-C 3.47Å; Y82-G87 WeakPolarHBondContact CE2-O 3.27Å; Y82-G87 VanDerWaalsContact OH-CA 3.32Å; Y82-G87 WeakPolarHBondContact OH-CA 3.32Å; D83-G87 VanDerWaalsContact O-CA 3.25Å; D83-G87 WeakPolarHBondContact O-CA 3.26Å; D83-G87 PolarHBondContact O-N 3.29Å
88	V	96.1	Very high	93.9	Very high	82 Å²	82	71.9 Å²	71.9	50%	0.497	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-108.9	137.4	-171.7	179.9	0	0	0	0	110.7	D83	D83-V88 PolarHBondContact N-O 3.37Å
89	C	96.5	Very high	94.2	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.041	37%	0.365	C	S	.	.			trans	-115.7	139.1	166.1	-172.2	0	0	0	0	109.2	Y82 D91 D92 H99	Y82-C89 HydrophobicContact CD2-CB 4.08Å; C89-D91 PolarHBondContact O-N 3.06Å; C89-D91 VanDerWaalsContact O-N 3.16Å; C89-D91 PolarHBondContact SG-N 3.47Å; C89-D91 VanDerWaalsContact SG-N 3.41Å; C89-D92 PolarHBondContact O-N 3.04Å; C89-H99 WeakPolarHBondContact CB-CE1 2.87Å; C89-H99 WeakPolarHBondContact CB-NE2 3.21Å; C89-H99 PolarHBondContact SG-NE2 3.34Å; C89-H99 VanDerWaalsContact SG-NE2 3.43Å
90	P	97.4	Very high	94.2	Very high	97 Å²	97	73.1 Å²	73.1	63%	0.63	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.2	170.4	-25.3	34.3	0	0	0	113.6	K81	K81-P90 HydrophobicContact CB-CG 4.3Å; K81-P90 VanDerWaalsContact O-CD 3.31Å; K81-P90 WeakPolarHBondContact O-CD 3.19Å
91	D	96.7	Very high	94.3	Very high	49 Å²	49	66.3 Å²	66.3	26%	0.262	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.8	179.6	-58.6	-46.3	0	0	0	112.6	K81 C89 R94 C95	K81-D91 IonicContact NZ-OD1 3.54Å; K81-D91 IonicContact NZ-OD2 3.56Å; K81-D91 PolarHBondContact NZ-OD2 3.21Å; C89-D91 PolarHBondContact O-N 3.06Å; C89-D91 VanDerWaalsContact O-N 3.16Å; C89-D91 PolarHBondContact SG-N 3.47Å; C89-D91 VanDerWaalsContact SG-N 3.41Å; D91-R94 CarbonylContact O-C 3.52Å; D91-R94 WeakPolarHBondContact O-CA 3.43Å; D91-R94 WeakPolarHBondContact O-CB 3.44Å; D91-R94 PolarHBondContact O-N 3.31Å; D91-C95 HydrophobicContact CB-CB 3.69Å; D91-C95 PolarHBondContact O-N 3.29Å
92	D	95.6	Very high	94.1	Very high	94 Å²	94	67.9 Å²	67.9	50%	0.503	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	45.4	-134.2	177.9	-166.3	24.3	0	0	0	113.2	C89 R94 C95	C89-D92 PolarHBondContact O-N 3.04Å; D92-R94 PolarHBondContact O-N 3.32Å; D92-C95 PolarHBondContact O-N 2.84Å
93	D	96.2	Very high	94	Very high	71 Å²	71	68.8 Å²	68.8	38%	0.38	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-68.8	-12.2	178.6	-76.7	-5.8	0	0	0	114.1	R59 R61	R59-D93 IonicContact CZ-OD1 3.61Å; R59-D93 VanDerWaalsContact CZ-OD1 3.29Å; R59-D93 IonicContact CZ-OD2 3.29Å; R59-D93 IonicContact NH1-OD1 2.77Å; R59-D93 PolarHBondContact NH1-OD1 2.99Å; R59-D93 IonicContact NH1-OD2 2.72Å; R59-D93 IonicContact NH2-OD1 3.64Å; R59-D93 PolarHBondContact NH2-OD1 3.26Å; R59-D93 IonicContact NH2-OD2 2.95Å; R59-D93 PolarHBondContact NH2-OD2 3.45Å; R61-D93 WeakPolarHBondContact CD-OD1 3.29Å; R61-D93 VanDerWaalsContact CG-OD1 3.29Å; R61-D93 WeakPolarHBondContact CG-OD1 3.39Å
94	R	96.7	Very high	94.1	Very high	212 Å²	212	67.3 Å²	67.3	80%	0.8	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-88.9	-6.6	179.4	-59.3	179.7	-64.1	177.4	0.7	113.1	D91 D92 P96	D91-R94 CarbonylContact O-C 3.52Å; D91-R94 WeakPolarHBondContact O-CA 3.43Å; D91-R94 WeakPolarHBondContact O-CB 3.44Å; D91-R94 PolarHBondContact O-N 3.31Å; D92-R94 PolarHBondContact O-N 3.32Å; R94-P96 WeakPolarHBondContact O-CD 3.39Å
95	C	97.5	Very high	94.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.			trans	-59.5	123.2	178.9	-167.9	0	0	0	0	110.7	R61 C79 D91 D92 F97 H99	R61-C95 PolarHBondContact NH1-O 3.43Å; C79-C95 PolarHBondContact SG-SG 2.84Å; D91-C95 HydrophobicContact CB-CB 3.69Å; D91-C95 PolarHBondContact O-N 3.29Å; D92-C95 PolarHBondContact O-N 2.84Å; C95-F97 PolarHBondContact O-N 3.48Å; C95-H99 VanDerWaalsContact CB-NE2 3.34Å; C95-H99 WeakPolarHBondContact CB-NE2 3.45Å
96	P	96.5	Very high	94.8	Very high	69 Å²	69	56.2 Å²	56.2	45%	0.448	29%	0.291	S	S	.	.	S	Bend	trans	-78.6	-0.4	-179.8	33.8	-36.9	0	0	0	112.9	Y73 S74 R94	Y73-P96 CarbonylContact C-O 3.5Å; Y73-P96 VanDerWaalsContact CA-O 3.31Å; Y73-P96 WeakPolarHBondContact CA-O 3.34Å; S74-P96 PolarHBondContact N-O 3.09Å; R94-P96 WeakPolarHBondContact O-CD 3.39Å
97	F	95.7	Very high	94.9	Very high	87 Å²	87	55 Å²	55	38%	0.382	28%	0.278	S	S	.	.	S	Bend	trans	-108.3	155.8	-177.5	-56.9	-62.4	0	0	0	110.8	R61 I77 C79 C95	R61-F97 PolarHBondContact NH2-O 2.84Å; I77-F97 HydrophobicContact CB-CD1 4Å; I77-F97 HydrophobicContact CG2-CD1 3.53Å; I77-F97 HydrophobicContact CG2-CE1 3.87Å; I77-F97 HydrophobicContact CG2-CG 4.49Å; I77-F97 CarbonylContact O-C 3.43Å; I77-F97 WeakPolarHBondContact O-CA 3.27Å; I77-F97 WeakPolarHBondContact O-CB 3.45Å; C79-F97 HydrophobicContact CB-CB 3.73Å; C95-F97 PolarHBondContact O-N 3.48Å
98	L	94.9	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-68.1	129.3	178.8	-173.3	66.6	0	0	0	111.2	Y73 S74 I77 Y78 C79 E106 R107	Y73-L98 HydrophobicContact CD2-CD1 3.91Å; Y73-L98 HydrophobicContact CE2-CD1 3.74Å; S74-L98 WeakPolarHBondContact O-CB 3.41Å; I77-L98 WeakPolarHBondContact O-CB 3.17Å; I77-L98 PolarHBondContact O-N 3.33Å; Y78-L98 CarbonylContact C-O 3.34Å; Y78-L98 VanDerWaalsContact CA-O 3.29Å; Y78-L98 WeakPolarHBondContact CA-O 3.41Å; Y78-L98 HydrophobicContact CD1-CB 4.2Å; Y78-L98 HydrophobicContact CD1-CD2 3.77Å; Y78-L98 HydrophobicContact CD1-CG 3.98Å; Y78-L98 HydrophobicContact CD2-CD2 4.32Å; Y78-L98 HydrophobicContact CE1-CD2 3.37Å; Y78-L98 HydrophobicContact CE1-CG 3.89Å; Y78-L98 HydrophobicContact CE2-CD2 3.98Å; Y78-L98 HydrophobicContact CG-CD2 4.24Å; Y78-L98 VanDerWaalsContact CZ-CD2 3.49Å; C79-L98 PolarHBondContact N-O 3.37Å; L98-E106 HydrophobicContact CD1-CB 3.49Å; L98-E106 VanDerWaalsContact CD1-CB 3.49Å; L98-E106 HydrophobicContact CG-CB 4.49Å; L98-R107 HydrophobicContact CD1-CB 4.35Å; L98-R107 HydrophobicContact CD2-CB 3.8Å; L98-R107 HydrophobicContact CD2-CG 4.01Å
99	H	94.9	Very high	95	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.037	27%	0.265	C	S	.	.			trans	-87.5	136.1	171.9	-65.6	164.1	0	0	0	110.4	R61 Y82 C89 C95 V101 E106	R61-H99 VanDerWaalsContact CZ-CE1 3.45Å; R61-H99 PolarHBondContact NE-ND1 3.2Å; Y82-H99 HydrophobicContact CD1-CB 4.02Å; Y82-H99 HydrophobicContact CD2-CB 3.56Å; Y82-H99 AromaticContact CD2-CD2 3.65Å; Y82-H99 AromaticContact CD2-CE1 3.92Å; Y82-H99 AromaticContact CD2-CG 3.28Å; Y82-H99 AromaticContact CD2-ND1 3.47Å; Y82-H99 WeakPolarHBondContact CD2-ND1 3.31Å; Y82-H99 HydrophobicContact CE1-CB 4.13Å; Y82-H99 HydrophobicContact CE2-CB 3.69Å; Y82-H99 AromaticContact CE2-CG 3.71Å; Y82-H99 AromaticContact CE2-ND1 3.67Å; Y82-H99 HydrophobicContact CG-CB 3.72Å; Y82-H99 AromaticContact CG-CD2 3.87Å; Y82-H99 AromaticContact CG-CG 3.73Å; C89-H99 WeakPolarHBondContact CB-CE1 2.87Å; C89-H99 WeakPolarHBondContact CB-NE2 3.21Å; C89-H99 PolarHBondContact SG-NE2 3.34Å; C89-H99 VanDerWaalsContact SG-NE2 3.43Å; C95-H99 VanDerWaalsContact CB-NE2 3.34Å; C95-H99 WeakPolarHBondContact CB-NE2 3.45Å; H99-V101 HydrophobicContact CB-CG2 3.88Å; H99-V101 PolarHBondContact O-N 3.49Å; H99-E106 WeakPolarHBondContact CB-OE2 3.48Å; H99-E106 IonicContact CG-OE2 2.78Å; H99-E106 PolarHBondContact N-OE2 3.19Å; H99-E106 IonicContact ND1-OE1 3.58Å
100	R	93.1	Very high	95	Very high	90 Å²	90	54 Å²	54	34%	0.34	26%	0.263	S	S	.	.			trans	-79.2	63	172.7	-163.3	-176.7	-55.1	-80.6	-4.9	110.6	Y78 Y82 E84	Y78-R100 HydrophobicContact CD1-CB 4.07Å; Y78-R100 HydrophobicContact CE1-CB 4.12Å; Y78-R100 HydrophobicContact CE1-CG 4.26Å; Y82-R100 WeakPolarHBondContact CE1-O 3.36Å; E84-R100 HydrophobicContact CG-CB 4.19Å; E84-R100 WeakPolarHBondContact OE1-CD 3.28Å; E84-R100 IonicContact OE1-NE 3.61Å; E84-R100 PolarHBondContact OE1-NE 3Å
101	V	93.1	Very high	94.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.235	C	C	.	.			trans	-59.5	150.2	175	-176.6	0	0	0	0	109.6	N57 R59 H99 G103 D104 I105 E106	N57-V101 VanDerWaalsContact O-CG1 3.24Å; N57-V101 WeakPolarHBondContact O-CG1 3.48Å; R59-V101 VanDerWaalsContact O-CG1 3.23Å; R59-V101 WeakPolarHBondContact O-CG1 3.27Å; R59-V101 VanDerWaalsContact O-CG2 3.31Å; R59-V101 WeakPolarHBondContact O-CG2 3.4Å; H99-V101 HydrophobicContact CB-CG2 3.88Å; H99-V101 PolarHBondContact O-N 3.49Å; V101-G103 PolarHBondContact O-N 3.38Å; V101-G103 VanDerWaalsContact O-N 3.17Å; V101-D104 WeakPolarHBondContact O-CA 3.48Å; V101-D104 PolarHBondContact O-N 3.3Å; V101-I105 HydrophobicContact CB-CG1 3.86Å; V101-I105 HydrophobicContact CG1-CD1 3.72Å; V101-I105 HydrophobicContact CG1-CG1 3.54Å; V101-E106 HydrophobicContact CG2-CG 3.71Å
102	Y	89.5	Confident	94.7	Very high	145 Å²	145	49.1 Å²	49.1	57%	0.569	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.6	123.2	179.8	-176.9	-91.3	0	0	0	112.1	N57 Q58 D104	N57-Y102 VanDerWaalsContact O-CB 3.27Å; N57-Y102 WeakPolarHBondContact O-CB 3.47Å; N57-Y102 PolarHBondContact O-N 2.91Å; Q58-Y102 HydrophobicContact CG-CD1 4.49Å; Q58-Y102 HydrophobicContact CG-CG 4.46Å; Y102-D104 VanDerWaalsContact C-N 3.34Å
103	G	88.9	Confident	94.6	Very high	40 Å²	40	47.2 Å²	47.2	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	10.4	-177.2	0	0	0	0	0	115.2	V101 I105 K108	V101-G103 PolarHBondContact O-N 3.38Å; V101-G103 VanDerWaalsContact O-N 3.17Å; G103-I105 VanDerWaalsContact C-N 3.27Å; G103-I105 PolarHBondContact O-N 3.17Å; G103-K108 WeakPolarHBondContact O-CD 3.41Å; G103-K108 WeakPolarHBondContact O-CE 3.42Å; G103-K108 PolarHBondContact O-NZ 3.08Å
104	D	92.8	Very high	94.6	Very high	35 Å²	35	44.1 Å²	44.1	19%	0.187	20%	0.198	C	C	.	.	S	Bend	trans	57.2	37.9	-179.2	-165.6	44.6	0	0	0	112.8	Y78 V101 Y102 R107 K108	Y78-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y78-D104 VanDerWaalsContact OH-CG 3.23Å; Y78-D104 PolarHBondContact OH-OD1 3.14Å; Y78-D104 PolarHBondContact OH-OD2 3.21Å; Y78-D104 VanDerWaalsContact OH-OD2 3.11Å; V101-D104 WeakPolarHBondContact O-CA 3.48Å; V101-D104 PolarHBondContact O-N 3.3Å; Y102-D104 VanDerWaalsContact C-N 3.34Å; D104-R107 PolarHBondContact O-N 3.28Å; D104-K108 WeakPolarHBondContact O-CG 3.34Å; D104-K108 PolarHBondContact O-N 2.7Å; D104-K108 VanDerWaalsContact O-N 3.12Å
105	I	94.8	Very high	94.5	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-74.4	-26.9	-169	60	168.6	0	0	0	114	F29 R30 Q58 R60 V101 G103 R107 Y109	F29-I105 HydrophobicContact CE1-CG2 4.44Å; R30-I105 HydrophobicContact CB-CD1 3.57Å; R30-I105 HydrophobicContact CG-CD1 3.77Å; Q58-I105 WeakPolarHBondContact O-CD1 3.39Å; R60-I105 HydrophobicContact CB-CD1 3.72Å; R60-I105 HydrophobicContact CB-CG1 4.06Å; V101-I105 HydrophobicContact CB-CG1 3.86Å; V101-I105 HydrophobicContact CG1-CD1 3.72Å; V101-I105 HydrophobicContact CG1-CG1 3.54Å; G103-I105 VanDerWaalsContact C-N 3.27Å; G103-I105 PolarHBondContact O-N 3.17Å; I105-R107 VanDerWaalsContact C-N 3.28Å; I105-R107 PolarHBondContact O-N 3.13Å; I105-Y109 HydrophobicContact CB-CD2 4.06Å; I105-Y109 HydrophobicContact CB-CE2 4.45Å; I105-Y109 HydrophobicContact CG2-CD2 4.41Å; I105-Y109 HydrophobicContact CG2-CE2 4.3Å; I105-Y109 WeakPolarHBondContact O-CB 3.5Å; I105-Y109 WeakPolarHBondContact O-CD2 3.42Å; I105-Y109 PolarHBondContact O-N 3.17Å
106	E	97.1	Very high	94.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-42.7	172.9	-80.7	-166.7	176.9	0	0	110.8	R60 R61 Y73 L98 H99 V101 H110	R60-E106 HydrophobicContact CB-CG 4.33Å; R60-E106 HydrophobicContact CG-CG 4.02Å; R61-E106 WeakPolarHBondContact CB-OE1 3.46Å; R61-E106 WeakPolarHBondContact CG-OE1 3.31Å; R61-E106 IonicContact CZ-OE1 2.77Å; R61-E106 IonicContact CZ-OE2 3.56Å; R61-E106 PolarHBondContact N-OE1 3.04Å; R61-E106 VanDerWaalsContact N-OE1 3.14Å; R61-E106 IonicContact NE-OE1 3.71Å; R61-E106 PolarHBondContact NE-OE1 2.98Å; R61-E106 IonicContact NE-OE2 3.49Å; R61-E106 IonicContact NH2-OE1 3.98Å; R61-E106 IonicContact NH2-OE2 3.35Å; R61-E106 PolarHBondContact NH2-OE2 3.29Å; Y73-E106 HydrophobicContact CE2-CB 4.13Å; Y73-E106 HydrophobicContact CE2-CG 4.5Å; L98-E106 HydrophobicContact CD1-CB 3.49Å; L98-E106 VanDerWaalsContact CD1-CB 3.49Å; L98-E106 HydrophobicContact CG-CB 4.49Å; H99-E106 WeakPolarHBondContact CB-OE2 3.48Å; H99-E106 IonicContact CG-OE2 2.78Å; H99-E106 PolarHBondContact N-OE2 3.19Å; H99-E106 IonicContact ND1-OE1 3.58Å; V101-E106 HydrophobicContact CG2-CG 3.71Å; E106-H110 WeakPolarHBondContact O-CB 3.21Å; E106-H110 PolarHBondContact O-N 3.12Å; E106-H110 VanDerWaalsContact O-N 3.17Å
107	R	95.3	Very high	93.7	Very high	45 Å²	45	33.5 Å²	33.5	17%	0.17	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-53.1	178	-164.8	177.3	-179.5	102.9	10.5	111.3	P75 D76 Y78 L98 D104 I105 Y109 H110 Y113	P75-R107 PolarHBondContact O-NH1 2.8Å; D76-R107 IonicContact OD1-CZ 2.86Å; D76-R107 IonicContact OD1-NH1 3.52Å; D76-R107 IonicContact OD1-NH2 3.85Å; D76-R107 PolarHBondContact OD1-NH2 3.3Å; Y78-R107 WeakPolarHBondContact OH-CD 3.44Å; L98-R107 HydrophobicContact CD1-CB 4.35Å; L98-R107 HydrophobicContact CD2-CB 3.8Å; L98-R107 HydrophobicContact CD2-CG 4.01Å; D104-R107 PolarHBondContact O-N 3.28Å; I105-R107 VanDerWaalsContact C-N 3.28Å; I105-R107 PolarHBondContact O-N 3.13Å; R107-Y109 PolarHBondContact O-N 3.26Å; R107-H110 WeakPolarHBondContact O-CB 3.42Å; R107-H110 PolarHBondContact O-N 2.72Å; R107-H110 VanDerWaalsContact O-N 3.08Å; R107-Y113 HydrophobicContact CG-CD2 3.83Å; R107-Y113 HydrophobicContact CG-CE2 3.9Å; R107-Y113 PolarHBondContact NH2-OH 3.33Å; R107-Y113 VanDerWaalsContact NH2-OH 3.07Å; R107-Y113 WeakPolarHBondContact O-CD2 3.46Å
108	K	94.4	Very high	93.3	Very high	74 Å²	74	32.5 Å²	32.5	32%	0.322	15%	0.153	S	C	.	.	H	α-helix	trans	-60.7	-34	-174.5	-75.5	168.8	177.4	176.4	0	113.1	G103 D104 Y114 P137	G103-K108 WeakPolarHBondContact O-CD 3.41Å; G103-K108 WeakPolarHBondContact O-CE 3.42Å; G103-K108 PolarHBondContact O-NZ 3.08Å; D104-K108 WeakPolarHBondContact O-CG 3.34Å; D104-K108 PolarHBondContact O-N 2.7Å; D104-K108 VanDerWaalsContact O-N 3.12Å; K108-Y114 VanDerWaalsContact O-CA 3.29Å; K108-Y114 WeakPolarHBondContact O-CA 3.27Å; K108-Y114 PolarHBondContact O-N 2.75Å; K108-P137 HydrophobicContact CB-CB 3.77Å; K108-P137 HydrophobicContact CB-CG 4.02Å; K108-P137 HydrophobicContact CD-CG 4.09Å; K108-P137 HydrophobicContact CG-CB 4.37Å; K108-P137 HydrophobicContact CG-CG 4.1Å
109	Y	97.2	Very high	93	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.016	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	16.6	179.7	-67.4	-92.8	0	0	0	112.4	Y25 F29 R60 I105 R107 Y114 H135 P137	Y25-Y109 HydrophobicContact CD1-CD1 4.26Å; Y25-Y109 AromaticContact CD1-CE1 3.54Å; Y25-Y109 HydrophobicContact CD1-CE1 3.54Å; Y25-Y109 HydrophobicContact CE1-CE1 4.24Å; Y25-Y109 HydrophobicContact CG-CE1 4.33Å; F29-Y109 HydrophobicContact CB-CD1 4.42Å; F29-Y109 AromaticContact CD1-CD1 3.75Å; F29-Y109 HydrophobicContact CD1-CD1 3.75Å; F29-Y109 AromaticContact CD1-CD2 3.75Å; F29-Y109 HydrophobicContact CD1-CD2 3.75Å; F29-Y109 AromaticContact CD1-CE1 3.54Å; F29-Y109 HydrophobicContact CD1-CE1 3.54Å; F29-Y109 AromaticContact CD1-CE2 3.56Å; F29-Y109 HydrophobicContact CD1-CE2 3.56Å; F29-Y109 AromaticContact CD1-CG 3.83Å; F29-Y109 HydrophobicContact CD1-CG 3.83Å; F29-Y109 AromaticContact CD1-CZ 3.43Å; F29-Y109 VanDerWaalsContact CD1-CZ 3.43Å; F29-Y109 HydrophobicContact CE1-CD1 4.44Å; F29-Y109 AromaticContact CE1-CD2 3.87Å; F29-Y109 HydrophobicContact CE1-CD2 3.87Å; F29-Y109 AromaticContact CE1-CE1 3.92Å; F29-Y109 HydrophobicContact CE1-CE1 3.92Å; F29-Y109 AromaticContact CE1-CE2 3.28Å; F29-Y109 HydrophobicContact CE1-CE2 3.28Å; F29-Y109 HydrophobicContact CE1-CG 4.4Å; F29-Y109 AromaticContact CE1-CZ 3.29Å; F29-Y109 HydrophobicContact CG-CD1 4.34Å; F29-Y109 HydrophobicContact CG-CE1 4.08Å; F29-Y109 HydrophobicContact CZ-CE2 4.3Å; R60-Y109 VanDerWaalsContact NE-CB 3.33Å; R60-Y109 PolarHBondContact NH2-O 3.01Å; I105-Y109 HydrophobicContact CB-CD2 4.06Å; I105-Y109 HydrophobicContact CB-CE2 4.45Å; I105-Y109 HydrophobicContact CG2-CD2 4.41Å; I105-Y109 HydrophobicContact CG2-CE2 4.3Å; I105-Y109 WeakPolarHBondContact O-CB 3.5Å; I105-Y109 WeakPolarHBondContact O-CD2 3.42Å; I105-Y109 PolarHBondContact O-N 3.17Å; R107-Y109 PolarHBondContact O-N 3.26Å; Y109-Y114 AromaticContact CD1-CD2 3.41Å; Y109-Y114 HydrophobicContact CD1-CD2 3.41Å; Y109-Y114 VanDerWaalsContact CD1-CD2 3.41Å; Y109-Y114 AromaticContact CD1-CE2 3.5Å; Y109-Y114 HydrophobicContact CD1-CE2 3.5Å; Y109-Y114 HydrophobicContact CD1-CG 4.29Å; Y109-Y114 AromaticContact CE1-CD2 3.71Å; Y109-Y114 HydrophobicContact CE1-CD2 3.71Å; Y109-Y114 AromaticContact CE1-CE2 3.36Å; Y109-Y114 HydrophobicContact CE1-CE2 3.36Å; Y109-Y114 HydrophobicContact CG-CD2 4.17Å; Y109-H135 WeakPolarHBondContact OH-CB 3.23Å; Y109-H135 PolarHBondContact OH-O 3.06Å; Y109-P137 HydrophobicContact CE2-CB 4.22Å
110	H	96.2	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-68.3	149.3	173.9	-161.7	-90.3	0	0	0	110.6	C63 F71 Y73 E106 R107 R112 Y113 Y114	C63-H110 VanDerWaalsContact SG-CD2 3.53Å; C63-H110 PolarHBondContact SG-CE1 3.21Å; C63-H110 PolarHBondContact SG-NE2 2.91Å; F71-H110 AromaticContact CD1-CE1 3.73Å; F71-H110 AromaticContact CD2-CE1 3.56Å; F71-H110 AromaticContact CE1-CE1 3.91Å; F71-H110 AromaticContact CE2-CE1 3.74Å; F71-H110 AromaticContact CG-CE1 3.56Å; F71-H110 AromaticContact CG-NE2 3.98Å; F71-H110 AromaticContact CZ-CE1 3.91Å; Y73-H110 AromaticContact CE2-CD2 3.45Å; Y73-H110 VanDerWaalsContact CE2-CD2 3.45Å; Y73-H110 WeakPolarHBondContact CE2-CD2 3.49Å; Y73-H110 AromaticContact CE2-NE2 3.95Å; Y73-H110 AromaticContact CZ-CD2 3.97Å; Y73-H110 PolarHBondContact O-NE2 2.85Å; E106-H110 WeakPolarHBondContact O-CB 3.21Å; E106-H110 PolarHBondContact O-N 3.12Å; E106-H110 VanDerWaalsContact O-N 3.17Å; R107-H110 WeakPolarHBondContact O-CB 3.42Å; R107-H110 PolarHBondContact O-N 2.72Å; R107-H110 VanDerWaalsContact O-N 3.08Å; H110-R112 VanDerWaalsContact ND1-CB 3.27Å; H110-R112 WeakPolarHBondContact ND1-CB 3.13Å; H110-R112 PolarHBondContact ND1-N 3.07Å; H110-R112 VanDerWaalsContact ND1-N 3.13Å; H110-R112 PolarHBondContact O-N 3.37Å; H110-Y113 HydrophobicContact CB-CD2 4.23Å; H110-Y113 PolarHBondContact O-N 2.77Å; H110-Y114 PolarHBondContact O-N 2.73Å
111	L	95.4	Very high	91.9	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.9	174.6	-74.9	173.9	0	0	0	112.9	Y13 L26 C63 L65 F71 R146 V149	Y13-L111 HydrophobicContact CE1-CD2 3.87Å; L26-L111 HydrophobicContact CD1-CD2 4.01Å; L26-L111 HydrophobicContact CD2-CD2 4.03Å; L26-L111 HydrophobicContact CG-CD2 4.43Å; C63-L111 HydrophobicContact CB-CG 4.19Å; L65-L111 HydrophobicContact CB-CD1 4.27Å; F71-L111 HydrophobicContact CD1-CD1 4.42Å; F71-L111 HydrophobicContact CE1-CB 3.91Å; F71-L111 HydrophobicContact CE1-CD1 3.99Å; F71-L111 HydrophobicContact CZ-CB 4.44Å; L111-R146 PolarHBondContact O-NH1 2.73Å; L111-R146 PolarHBondContact O-NH2 2.99Å; L111-V149 HydrophobicContact CB-CB 4.05Å; L111-V149 HydrophobicContact CB-CG2 4.22Å; L111-V149 PolarHBondContact O-N 3.39Å
112	R	92.7	Very high	91.6	Very high	39 Å²	39	37.1 Å²	37.1	15%	0.147	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.2	179.7	-177.9	61.5	179.9	87.6	2.2	114.5	P75 H110 P148 V149	P75-R112 HydrophobicContact CB-CB 4Å; P75-R112 HydrophobicContact CB-CG 4.17Å; P75-R112 HydrophobicContact CG-CB 4.43Å; P75-R112 HydrophobicContact CG-CG 4.36Å; H110-R112 VanDerWaalsContact ND1-CB 3.27Å; H110-R112 WeakPolarHBondContact ND1-CB 3.13Å; H110-R112 PolarHBondContact ND1-N 3.07Å; H110-R112 VanDerWaalsContact ND1-N 3.13Å; H110-R112 PolarHBondContact O-N 3.37Å; R112-P148 VanDerWaalsContact NH1-CB 3.31Å; R112-P148 WeakPolarHBondContact O-CB 3.46Å; R112-V149 WeakPolarHBondContact CA-O 3.37Å; R112-V149 WeakPolarHBondContact CD-O 3.35Å
113	Y	93.2	Very high	91.7	Very high	54 Å²	54	33.1 Å²	33.1	21%	0.212	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-28.8	-165.6	-64	-51.1	0	0	0	115.9	P75 D76 R107 H110 K115 T116	P75-Y113 HydrophobicContact CB-CD2 4.41Å; P75-Y113 HydrophobicContact CB-CE2 3.74Å; P75-Y113 WeakPolarHBondContact O-CE2 3.31Å; D76-Y113 VanDerWaalsContact CG-OH 3.31Å; D76-Y113 PolarHBondContact OD1-OH 3.3Å; D76-Y113 PolarHBondContact OD2-OH 2.75Å; R107-Y113 HydrophobicContact CG-CD2 3.83Å; R107-Y113 HydrophobicContact CG-CE2 3.9Å; R107-Y113 PolarHBondContact NH2-OH 3.33Å; R107-Y113 VanDerWaalsContact NH2-OH 3.07Å; R107-Y113 WeakPolarHBondContact O-CD2 3.46Å; H110-Y113 HydrophobicContact CB-CD2 4.23Å; H110-Y113 PolarHBondContact O-N 2.77Å; Y113-K115 PolarHBondContact O-N 2.83Å; Y113-K115 VanDerWaalsContact O-N 3.16Å; Y113-T116 PolarHBondContact O-N 3.09Å; Y113-T116 PolarHBondContact O-OG1 2.8Å
114	Y	96.1	Very high	91.9	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.02	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.1	-178.5	179.7	-112.4	0	0	0	109.5	H22 Y25 L26 K108 Y109 H110 T116 P137 R146	H22-Y114 HydrophobicContact CB-CE1 4.05Å; Y25-Y114 VanDerWaalsContact CB-CZ 3.49Å; Y25-Y114 VanDerWaalsContact CB-OH 3.27Å; Y25-Y114 WeakPolarHBondContact CB-OH 2.85Å; Y25-Y114 WeakPolarHBondContact CD2-OH 3.34Å; Y25-Y114 HydrophobicContact CG-CE2 4.42Å; Y25-Y114 AromaticContact CG-CZ 3.9Å; Y25-Y114 VanDerWaalsContact CG-OH 3.23Å; L26-Y114 HydrophobicContact CD1-CD1 4.24Å; L26-Y114 HydrophobicContact CD2-CD1 3.66Å; L26-Y114 HydrophobicContact CD2-CG 3.91Å; L26-Y114 HydrophobicContact CG-CD1 3.69Å; L26-Y114 HydrophobicContact CG-CE1 4.27Å; L26-Y114 HydrophobicContact CG-CG 4.4Å; K108-Y114 VanDerWaalsContact O-CA 3.29Å; K108-Y114 WeakPolarHBondContact O-CA 3.27Å; K108-Y114 PolarHBondContact O-N 2.75Å; Y109-Y114 AromaticContact CD1-CD2 3.41Å; Y109-Y114 HydrophobicContact CD1-CD2 3.41Å; Y109-Y114 VanDerWaalsContact CD1-CD2 3.41Å; Y109-Y114 AromaticContact CD1-CE2 3.5Å; Y109-Y114 HydrophobicContact CD1-CE2 3.5Å; Y109-Y114 HydrophobicContact CD1-CG 4.29Å; Y109-Y114 AromaticContact CE1-CD2 3.71Å; Y109-Y114 HydrophobicContact CE1-CD2 3.71Å; Y109-Y114 AromaticContact CE1-CE2 3.36Å; Y109-Y114 HydrophobicContact CE1-CE2 3.36Å; Y109-Y114 HydrophobicContact CG-CD2 4.17Å; H110-Y114 PolarHBondContact O-N 2.73Å; Y114-T116 WeakPolarHBondContact O-CG2 3.47Å; Y114-T116 PolarHBondContact O-N 3.37Å; Y114-P137 HydrophobicContact CD2-CB 4.35Å; Y114-R146 WeakPolarHBondContact O-CD 3.49Å; Y114-R146 WeakPolarHBondContact O-CG 3.44Å; Y114-R146 PolarHBondContact O-NH1 3.38Å
115	K	95.3	Very high	92	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.065	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	19.1	177.6	-59.7	-70.5	-173	170.1	0	115.6	Y113 T117 C136 P137 F138 A139 D144 L145 R146	Y113-K115 PolarHBondContact O-N 2.83Å; Y113-K115 VanDerWaalsContact O-N 3.16Å; K115-T117 VanDerWaalsContact C-N 3.34Å; K115-C136 VanDerWaalsContact CE-O 3.3Å; K115-C136 WeakPolarHBondContact CE-O 3.3Å; K115-C136 PolarHBondContact NZ-O 2.82Å; K115-P137 WeakPolarHBondContact CA-O 3.43Å; K115-P137 PolarHBondContact N-O 3.04Å; K115-F138 WeakPolarHBondContact CD-O 3.4Å; K115-F138 PolarHBondContact NZ-O 3.07Å; K115-A139 HydrophobicContact CD-CB 4.38Å; K115-D144 IonicContact NZ-OD1 3.68Å; K115-D144 IonicContact NZ-OD2 3.65Å; K115-D144 PolarHBondContact NZ-OD2 2.86Å; K115-L145 CarbonylContact O-C 3.58Å; K115-L145 WeakPolarHBondContact O-CA 3.23Å; K115-L145 WeakPolarHBondContact O-CD1 3.31Å; K115-R146 HydrophobicContact CB-CB 4.48Å; K115-R146 HydrophobicContact CB-CG 3.76Å; K115-R146 PolarHBondContact O-N 3.4Å
116	T	90.7	Very high	91.9	Very high	18 Å²	18	43 Å²	43	11%	0.11	24%	0.243	C	C	.	.	S	Bend	trans	-88.3	-3.7	179.8	65.7	0	0	0	0	113.8	Y113 Y114 R146 P148	Y113-T116 PolarHBondContact O-N 3.09Å; Y113-T116 PolarHBondContact O-OG1 2.8Å; Y114-T116 WeakPolarHBondContact O-CG2 3.47Å; Y114-T116 PolarHBondContact O-N 3.37Å; T116-R146 WeakPolarHBondContact CA-O 3.32Å; T116-R146 HydrophobicContact CG2-CG 4.09Å; T116-P148 HydrophobicContact CG2-CB 3.83Å; T116-P148 HydrophobicContact CG2-CG 4.44Å
117	T	86.9	Confident	91.6	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.153	26%	0.264	C	S	.	.	S	Bend	trans	-140.1	147.9	177.2	52.1	0	0	0	0	110.4	K115 F138 A139	K115-T117 VanDerWaalsContact C-N 3.34Å; T117-F138 WeakPolarHBondContact OG1-CD1 3.27Å; T117-A139 PolarHBondContact O-N 3.24Å
118	L	88	Confident	91.5	Very high	67 Å²	67	46 Å²	46	35%	0.351	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-67.6	143	178.9	-66.7	173.1	0	0	0	111.8	A139 L145 T291	L118-A139 CarbonylContact C-O 3.54Å; L118-A139 VanDerWaalsContact CA-O 3.3Å; L118-A139 WeakPolarHBondContact CA-O 3.39Å; L118-A139 HydrophobicContact CD2-CB 4.1Å; L118-L145 HydrophobicContact CD2-CD1 4.3Å; L118-L145 HydrophobicContact CG-CD1 4.39Å; L118-T291 HydrophobicContact CB-CG2 4.3Å
119	C	86.8	Confident	91.5	Very high	20 Å²	20	42.6 Å²	42.6	14%	0.135	26%	0.255	C	S	.	.			trans	-74.2	132.5	173	-164.3	0	0	0	0	109.6	H121 C129 F138 A139 H140	C119-H121 VanDerWaalsContact C-N 3.27Å; C119-H121 PolarHBondContact SG-N 2.74Å; C119-C129 VanDerWaalsContact SG-SG 3.68Å; C119-F138 HydrophobicContact CB-CB 3.58Å; C119-A139 PolarHBondContact N-O 3.29Å; C119-H140 WeakPolarHBondContact CB-CE1 3.34Å; C119-H140 PolarHBondContact SG-CE1 2.64Å
120	V	83	Confident	91.2	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.37	29%	0.288	S	S	.	.	S	Bend	trans	-78.3	-15.5	175.9	-59.5	0	0	0	0	112.9	F286	V120-F286 HydrophobicContact CB-CD1 3.63Å; V120-F286 HydrophobicContact CB-CE1 3.58Å; V120-F286 HydrophobicContact CG1-CD1 4.21Å; V120-F286 HydrophobicContact CG2-CD1 3.46Å; V120-F286 VanDerWaalsContact CG2-CD1 3.46Å; V120-F286 HydrophobicContact CG2-CE1 3.37Å
121	H	82.7	Confident	90.9	Very high	59 Å²	59	56.1 Å²	56.1	27%	0.273	32%	0.318	S	S	.	.	S	Bend	trans	-93.4	140.6	-178.3	-57.4	-58.3	0	0	0	110.3	C119 K131 H140	C119-H121 VanDerWaalsContact C-N 3.27Å; C119-H121 PolarHBondContact SG-N 2.74Å; H121-K131 HydrophobicContact CB-CB 4.13Å; H121-K131 WeakPolarHBondContact CD2-CB 3.19Å; H121-H140 PolarHBondContact O-CE1 3.03Å; H121-H140 VanDerWaalsContact O-CE1 3.26Å; H121-H140 PolarHBondContact O-ND1 3.25Å
122	A	87.4	Confident	90.6	Very high	55 Å²	55	58.8 Å²	58.8	46%	0.455	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-63	160.8	173.2	0	0	0	0	0	111.2	M130	A122-M130 HydrophobicContact CB-SD 3.95Å; A122-M130 WeakPolarHBondContact O-CB 3.46Å; A122-M130 WeakPolarHBondContact O-CG 3.36Å; A122-M130 PolarHBondContact O-N 3.21Å
123	T	91.3	Very high	90.6	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-92.6	150.7	169.7	52.7	0	0	0	0	110.9	G127 H128 H140	T123-G127 WeakPolarHBondContact CG2-O 3.46Å; T123-H128 CarbonylContact C-O 3.36Å; T123-H128 WeakPolarHBondContact CA-O 3.36Å; T123-H140 HydrophobicContact CG2-CB 3.78Å; T123-H140 VanDerWaalsContact CG2-CG 3.48Å; T123-H140 WeakPolarHBondContact CG2-ND1 3.34Å
124	D	93.4	Very high	90.6	Very high	67 Å²	67	60 Å²	60	36%	0.358	35%	0.352	S	S	.	.			trans	-72.8	-179.4	165.2	68.8	15.7	0	0	0	111.3	A126 G127 H128	D124-A126 PolarHBondContact O-N 3.21Å; D124-A126 WeakPolarHBondContact OD1-CA 3.37Å; D124-A126 WeakPolarHBondContact OD1-CB 3.35Å; D124-A126 PolarHBondContact OD1-N 3.35Å; D124-G127 PolarHBondContact O-N 2.89Å; D124-G127 PolarHBondContact OD1-N 3Å; D124-H128 PolarHBondContact N-O 3.23Å; D124-H128 IonicContact OD1-CG 3.64Å; D124-H128 PolarHBondContact OD1-N 3.01Å; D124-H128 IonicContact OD1-ND1 2.84Å; D124-H128 IonicContact OD2-ND1 3.17Å
125	V	93.8	Very high	90.6	Very high	162 Å²	162	61 Å²	61	98%	0.982	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	178.7	-64.2	0	0	0	0	113.6
126	A	93.3	Very high	90.6	Very high	66 Å²	66	60.5 Å²	60.5	55%	0.545	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.3	176.7	0	0	0	0	0	112.3	D124 H128	D124-A126 PolarHBondContact O-N 3.21Å; D124-A126 WeakPolarHBondContact OD1-CA 3.37Å; D124-A126 WeakPolarHBondContact OD1-CB 3.35Å; D124-A126 PolarHBondContact OD1-N 3.35Å; A126-H128 WeakPolarHBondContact CB-ND1 3.36Å
127	G	91.3	Very high	90.9	Very high	44 Å²	44	60 Å²	60	45%	0.454	35%	0.352	S	S	.	.	S	Bend	trans	86	6.6	-179.1	0	0	0	0	0	114.5	T123 D124	T123-G127 WeakPolarHBondContact CG2-O 3.46Å; D124-G127 PolarHBondContact O-N 2.89Å; D124-G127 PolarHBondContact OD1-N 3Å
128	H	93.3	Very high	91.2	Very high	63 Å²	63	61.8 Å²	61.8	29%	0.292	36%	0.358	S	S	.	.			trans	-87.5	147.7	179.4	-52.2	117.9	0	0	0	112	T123 D124 A126 M130 L134	T123-H128 CarbonylContact C-O 3.36Å; T123-H128 WeakPolarHBondContact CA-O 3.36Å; D124-H128 PolarHBondContact N-O 3.23Å; D124-H128 IonicContact OD1-CG 3.64Å; D124-H128 PolarHBondContact OD1-N 3.01Å; D124-H128 IonicContact OD1-ND1 2.84Å; D124-H128 IonicContact OD2-ND1 3.17Å; A126-H128 WeakPolarHBondContact CB-ND1 3.36Å; H128-M130 PolarHBondContact O-N 2.8Å; H128-L134 VanDerWaalsContact CD2-CD1 3.42Å; H128-L134 WeakPolarHBondContact CD2-CD1 3.49Å; H128-L134 WeakPolarHBondContact NE2-CD1 3.21Å
129	C	93.7	Very high	91.4	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.02	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-59.4	126.7	175.3	-174.7	0	0	0	0	111.3	C119 K131 N132 G133 C136 H140	C119-C129 VanDerWaalsContact SG-SG 3.68Å; C129-K131 PolarHBondContact O-N 2.86Å; C129-K131 PolarHBondContact SG-N 3.21Å; C129-N132 HydrophobicContact CB-CB 4.15Å; C129-N132 PolarHBondContact SG-N 3.02Å; C129-G133 VanDerWaalsContact CB-O 3.31Å; C129-G133 WeakPolarHBondContact CB-O 3.46Å; C129-G133 PolarHBondContact N-O 3.05Å; C129-G133 WeakPolarHBondContact O-CA 3.36Å; C129-G133 PolarHBondContact O-N 3.5Å; C129-C136 HydrophobicContact CB-CB 3.55Å; C129-H140 VanDerWaalsContact CB-NE2 3.26Å; C129-H140 WeakPolarHBondContact CB-NE2 3.37Å
130	M	91.6	Very high	91.7	Very high	141 Å²	141	60.5 Å²	60.5	70%	0.695	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	176.7	-71.5	-175.1	71.7	0	0	113.8	A122 H128	A122-M130 HydrophobicContact CB-SD 3.95Å; A122-M130 WeakPolarHBondContact O-CB 3.46Å; A122-M130 WeakPolarHBondContact O-CG 3.36Å; A122-M130 PolarHBondContact O-N 3.21Å; H128-M130 PolarHBondContact O-N 2.8Å
131	K	88.7	Confident	92	Very high	147 Å²	147	58.5 Å²	58.5	64%	0.639	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-48.4	-179.3	-177.6	58.8	178.7	172.4	0	113.6	H121 C129	H121-K131 HydrophobicContact CB-CB 4.13Å; H121-K131 WeakPolarHBondContact CD2-CB 3.19Å; C129-K131 PolarHBondContact O-N 2.86Å; C129-K131 PolarHBondContact SG-N 3.21Å
132	N	89	Confident	92.4	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-2.8	-174.2	-62.1	-38	0	0	0	112.9	C129 C136	C129-N132 HydrophobicContact CB-CB 4.15Å; C129-N132 PolarHBondContact SG-N 3.02Å; N132-C136 HydrophobicContact CB-CB 3.95Å; N132-C136 PolarHBondContact ND2-SG 3.31Å
133	G	92.4	Very high	92.6	Very high	29 Å²	29	64.4 Å²	64.4	30%	0.299	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	64.7	-150.6	-176.9	0	0	0	0	0	113.1	C129 H135	C129-G133 VanDerWaalsContact CB-O 3.31Å; C129-G133 WeakPolarHBondContact CB-O 3.46Å; C129-G133 PolarHBondContact N-O 3.05Å; C129-G133 WeakPolarHBondContact O-CA 3.36Å; C129-G133 PolarHBondContact O-N 3.5Å; G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 2.84Å
134	L	94.4	Very high	92.7	Very high	91 Å²	91	63.2 Å²	63.2	48%	0.476	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.6	-179.8	172.7	64.5	0	0	0	113.2	Y25 H128 C136	Y25-L134 PolarHBondContact OH-O 2.93Å; H128-L134 VanDerWaalsContact CD2-CD1 3.42Å; H128-L134 WeakPolarHBondContact CD2-CD1 3.49Å; H128-L134 WeakPolarHBondContact NE2-CD1 3.21Å; L134-C136 VanDerWaalsContact C-N 3.31Å; L134-C136 PolarHBondContact O-N 3.28Å
135	H	96.3	Very high	92.7	Very high	25 Å²	25	63.4 Å²	63.4	12%	0.116	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	46.4	-174.3	-52.3	-44.4	0	0	0	111.4	Y25 F29 T49 Y109 G133 P137	Y25-H135 HydrophobicContact CE1-CB 4.37Å; Y25-H135 AromaticContact CE1-ND1 3.52Å; Y25-H135 AromaticContact CZ-ND1 3.71Å; Y25-H135 PolarHBondContact OH-ND1 3.17Å; F29-H135 HydrophobicContact CE2-CB 3.94Å; F29-H135 AromaticContact CE2-CD2 3.71Å; F29-H135 AromaticContact CE2-CG 3.52Å; F29-H135 AromaticContact CE2-ND1 3.73Å; F29-H135 AromaticContact CE2-NE2 4Å; F29-H135 HydrophobicContact CZ-CB 3.74Å; F29-H135 AromaticContact CZ-CG 3.8Å; T49-H135 PolarHBondContact O-NE2 3.09Å; Y109-H135 WeakPolarHBondContact OH-CB 3.23Å; Y109-H135 PolarHBondContact OH-O 3.06Å; G133-H135 VanDerWaalsContact C-N 3.25Å; G133-H135 PolarHBondContact O-N 2.84Å; H135-P137 WeakPolarHBondContact O-CD 3.19Å
136	C	95.7	Very high	92.6	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.027	32%	0.319	C	S	.	.			trans	-73	123.9	175.2	-169	0	0	0	0	110	K115 C129 N132 L134 F138 H140	K115-C136 VanDerWaalsContact CE-O 3.3Å; K115-C136 WeakPolarHBondContact CE-O 3.3Å; K115-C136 PolarHBondContact NZ-O 2.82Å; C129-C136 HydrophobicContact CB-CB 3.55Å; N132-C136 HydrophobicContact CB-CB 3.95Å; N132-C136 PolarHBondContact ND2-SG 3.31Å; L134-C136 VanDerWaalsContact C-N 3.31Å; L134-C136 PolarHBondContact O-N 3.28Å; C136-F138 PolarHBondContact O-N 3.19Å; C136-H140 PolarHBondContact SG-NE2 2.78Å
137	P	95.7	Very high	92.4	Very high	8 Å²	8	58 Å²	58	5%	0.052	32%	0.316	C	S	.	.	S	Bend	trans	-78.3	-4.5	178.4	34.3	-37.4	0	0	0	113.2	K108 Y109 Y114 K115 H135	K108-P137 HydrophobicContact CB-CB 3.77Å; K108-P137 HydrophobicContact CB-CG 4.02Å; K108-P137 HydrophobicContact CD-CG 4.09Å; K108-P137 HydrophobicContact CG-CB 4.37Å; K108-P137 HydrophobicContact CG-CG 4.1Å; Y109-P137 HydrophobicContact CE2-CB 4.22Å; Y114-P137 HydrophobicContact CD2-CB 4.35Å; K115-P137 WeakPolarHBondContact CA-O 3.43Å; K115-P137 PolarHBondContact N-O 3.04Å; H135-P137 WeakPolarHBondContact O-CD 3.19Å
138	F	93.8	Very high	92.3	Very high	63 Å²	63	57.3 Å²	57.3	28%	0.276	30%	0.303	S	S	.	.	S	Bend	trans	-102.8	154.6	-179.7	-57.9	-77.7	0	0	0	110.9	K115 T117 C119 C136	K115-F138 WeakPolarHBondContact CD-O 3.4Å; K115-F138 PolarHBondContact NZ-O 3.07Å; T117-F138 WeakPolarHBondContact OG1-CD1 3.27Å; C119-F138 HydrophobicContact CB-CB 3.58Å; C136-F138 PolarHBondContact O-N 3.19Å
139	A	92.5	Very high	92.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-80.2	131.8	-176.4	0	0	0	0	0	112.1	K115 T117 L118 C119 G141 D144 L145	K115-A139 HydrophobicContact CD-CB 4.38Å; T117-A139 PolarHBondContact O-N 3.24Å; L118-A139 CarbonylContact C-O 3.54Å; L118-A139 VanDerWaalsContact CA-O 3.3Å; L118-A139 WeakPolarHBondContact CA-O 3.39Å; L118-A139 HydrophobicContact CD2-CB 4.1Å; C119-A139 PolarHBondContact N-O 3.29Å; A139-G141 VanDerWaalsContact C-N 3.34Å; A139-D144 VanDerWaalsContact CA-OD2 3.26Å; A139-D144 WeakPolarHBondContact CA-OD2 3.45Å; A139-D144 HydrophobicContact CB-CB 4.04Å; A139-D144 WeakPolarHBondContact CB-O 3.34Å; A139-L145 HydrophobicContact CB-CB 4.19Å; A139-L145 HydrophobicContact CB-CD1 3.71Å
140	H	92.1	Very high	91.9	Very high	59 Å²	59	57.4 Å²	57.4	27%	0.273	31%	0.305	S	S	.	.	S	Bend	trans	-94.6	17.5	179.2	-78.3	-80.1	0	0	0	114.7	C119 H121 T123 C129 C136 D144	C119-H140 WeakPolarHBondContact CB-CE1 3.34Å; C119-H140 PolarHBondContact SG-CE1 2.64Å; H121-H140 PolarHBondContact O-CE1 3.03Å; H121-H140 VanDerWaalsContact O-CE1 3.26Å; H121-H140 PolarHBondContact O-ND1 3.25Å; T123-H140 HydrophobicContact CG2-CB 3.78Å; T123-H140 VanDerWaalsContact CG2-CG 3.48Å; T123-H140 WeakPolarHBondContact CG2-ND1 3.34Å; C129-H140 VanDerWaalsContact CB-NE2 3.26Å; C129-H140 WeakPolarHBondContact CB-NE2 3.37Å; C136-H140 PolarHBondContact SG-NE2 2.78Å; H140-D144 PolarHBondContact N-OD2 3.5Å
141	G	88.9	Confident	91.6	Very high	19 Å²	19	52.7 Å²	52.7	20%	0.196	28%	0.282	C	S	.	.	S	Bend	trans	175.3	168.7	173.1	0	0	0	0	0	109.9	A139 D143 D144 L145	A139-G141 VanDerWaalsContact C-N 3.34Å; G141-D143 PolarHBondContact O-N 3.31Å; G141-D144 PolarHBondContact O-N 2.77Å; G141-L145 PolarHBondContact O-N 3.46Å
142	P	90.9	Very high	91.1	Very high	107 Å²	107	50.7 Å²	50.7	70%	0.695	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-55.9	-34.9	175	-24.3	34.7	0	0	0	112.2	D144 L145	P142-D144 VanDerWaalsContact C-N 3.27Å; P142-D144 PolarHBondContact O-N 2.86Å; P142-L145 VanDerWaalsContact O-CB 3.28Å; P142-L145 WeakPolarHBondContact O-CB 3.31Å; P142-L145 PolarHBondContact O-N 3.18Å
143	D	91.8	Very high	89.9	Confident	131 Å²	131	56.9 Å²	56.9	70%	0.701	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68	-24.8	176.7	-60	-45.6	0	0	0	112.8	K19 G141 L145	K19-D143 VanDerWaalsContact CE-O 3.29Å; K19-D143 WeakPolarHBondContact CE-O 3.35Å; K19-D143 PolarHBondContact NZ-O 2.93Å; G141-D143 PolarHBondContact O-N 3.31Å; D143-L145 VanDerWaalsContact C-N 3.34Å
144	D	94	Very high	88.2	Confident	37 Å²	37	59.3 Å²	59.3	20%	0.198	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-91	-2.6	177	-171.7	27.8	0	0	0	112	H22 K115 A139 H140 G141 P142	H22-D144 IonicContact CD2-OD1 3.92Å; H22-D144 PolarHBondContact CE1-O 3.25Å; H22-D144 VanDerWaalsContact CE1-O 3.31Å; H22-D144 IonicContact CE1-OD1 3.79Å; H22-D144 PolarHBondContact NE2-O 3.19Å; H22-D144 IonicContact NE2-OD1 3.57Å; H22-D144 PolarHBondContact NE2-OD1 3.48Å; K115-D144 IonicContact NZ-OD1 3.68Å; K115-D144 IonicContact NZ-OD2 3.65Å; K115-D144 PolarHBondContact NZ-OD2 2.86Å; A139-D144 VanDerWaalsContact CA-OD2 3.26Å; A139-D144 WeakPolarHBondContact CA-OD2 3.45Å; A139-D144 HydrophobicContact CB-CB 4.04Å; A139-D144 WeakPolarHBondContact CB-O 3.34Å; H140-D144 PolarHBondContact N-OD2 3.5Å; G141-D144 PolarHBondContact O-N 2.77Å; P142-D144 VanDerWaalsContact C-N 3.27Å; P142-D144 PolarHBondContact O-N 2.86Å
145	L	92.5	Very high	86.1	Confident	71 Å²	71	57.7 Å²	57.7	37%	0.372	30%	0.298	S	S	.	.			trans	-78.2	143	-178.8	-158.7	73.6	0	0	0	110.5	K115 L118 A139 G141 P142 D143	K115-L145 CarbonylContact O-C 3.58Å; K115-L145 WeakPolarHBondContact O-CA 3.23Å; K115-L145 WeakPolarHBondContact O-CD1 3.31Å; L118-L145 HydrophobicContact CD2-CD1 4.3Å; L118-L145 HydrophobicContact CG-CD1 4.39Å; A139-L145 HydrophobicContact CB-CB 4.19Å; A139-L145 HydrophobicContact CB-CD1 3.71Å; G141-L145 PolarHBondContact O-N 3.46Å; P142-L145 VanDerWaalsContact O-CB 3.28Å; P142-L145 WeakPolarHBondContact O-CB 3.31Å; P142-L145 PolarHBondContact O-N 3.18Å; D143-L145 VanDerWaalsContact C-N 3.34Å
146	R	92.7	Very high	83.7	Confident	10 Å²	10	63.9 Å²	63.9	4%	0.038	33%	0.327	C	S	.	.			trans	-127.3	154	173.5	73.5	-174.7	-89	-88.1	0.5	112.5	E18 L111 Y114 K115 T116	E18-R146 VanDerWaalsContact CD-NE 3.34Å; E18-R146 IonicContact OE1-CZ 3.13Å; E18-R146 IonicContact OE1-NE 2.78Å; E18-R146 PolarHBondContact OE1-NE 2.91Å; E18-R146 IonicContact OE1-NH2 2.83Å; E18-R146 PolarHBondContact OE1-NH2 3.35Å; E18-R146 IonicContact OE2-NE 3.19Å; E18-R146 PolarHBondContact OE2-NE 3.46Å; L111-R146 PolarHBondContact O-NH1 2.73Å; L111-R146 PolarHBondContact O-NH2 2.99Å; Y114-R146 WeakPolarHBondContact O-CD 3.49Å; Y114-R146 WeakPolarHBondContact O-CG 3.44Å; Y114-R146 PolarHBondContact O-NH1 3.38Å; K115-R146 HydrophobicContact CB-CB 4.48Å; K115-R146 HydrophobicContact CB-CG 3.76Å; K115-R146 PolarHBondContact O-N 3.4Å; T116-R146 WeakPolarHBondContact CA-O 3.32Å; T116-R146 HydrophobicContact CG2-CG 4.09Å
147	E	88.9	Confident	81.2	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.481	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-71.5	133	174.7	-71.2	-58.1	138.3	0	0	111	V16	V16-E147 HydrophobicContact CG1-CB 4.33Å
148	P	89.8	Confident	78.7	Confident	30 Å²	30	73.1 Å²	73.1	20%	0.195	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-65	137.7	173.8	20.1	-26.6	0	0	0	112.1	R112 T116 F150	R112-P148 VanDerWaalsContact NH1-CB 3.31Å; R112-P148 WeakPolarHBondContact O-CB 3.46Å; T116-P148 HydrophobicContact CG2-CB 3.83Å; T116-P148 HydrophobicContact CG2-CG 4.44Å; P148-F150 HydrophobicContact CB-CD2 4.5Å; P148-F150 HydrophobicContact CB-CE2 3.8Å; P148-F150 HydrophobicContact CB-CZ 4.17Å; P148-F150 HydrophobicContact CG-CE2 3.69Å; P148-F150 HydrophobicContact CG-CZ 4.06Å; P148-F150 WeakPolarHBondContact O-CD2 3.36Å
149	V	89.7	Confident	75.8	Confident	29 Å²	29	74.2 Å²	74.2	18%	0.176	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-89.4	134.7	169.5	-174.9	0	0	0	0	109.6	L65 F71 L111 R112	L65-V149 HydrophobicContact CD2-CG1 3.97Å; F71-V149 HydrophobicContact CE1-CG1 4.05Å; F71-V149 HydrophobicContact CZ-CB 4.22Å; F71-V149 HydrophobicContact CZ-CG1 3.93Å; F71-V149 WeakPolarHBondContact CZ-O 3.35Å; L111-V149 HydrophobicContact CB-CB 4.05Å; L111-V149 HydrophobicContact CB-CG2 4.22Å; L111-V149 PolarHBondContact O-N 3.39Å; R112-V149 WeakPolarHBondContact CA-O 3.37Å; R112-V149 WeakPolarHBondContact CD-O 3.35Å
150	F	87.6	Confident	73.2	Confident	40 Å²	40	80.9 Å²	80.9	18%	0.175	44%	0.444	C	S	.	.			trans	-116.2	157.7	177.9	-65.2	-98.5	0	0	0	111.1	P148 D154 R172	P148-F150 HydrophobicContact CB-CD2 4.5Å; P148-F150 HydrophobicContact CB-CE2 3.8Å; P148-F150 HydrophobicContact CB-CZ 4.17Å; P148-F150 HydrophobicContact CG-CE2 3.69Å; P148-F150 HydrophobicContact CG-CZ 4.06Å; P148-F150 WeakPolarHBondContact O-CD2 3.36Å; F150-D154 HydrophobicContact CB-CB 4.35Å; F150-D154 HydrophobicContact CD1-CB 4.38Å; F150-R172 VanDerWaalsContact CE2-CZ 3.41Å; F150-R172 VanDerWaalsContact CE2-NH1 3.28Å
151	E	86.4	Confident	70.7	Confident	42 Å²	42	86.8 Å²	86.8	20%	0.196	47%	0.472	C	S	.	.			trans	-71.9	151.2	168.1	-62.4	-169.8	142.1	0	0	110.4	G69 T70 F71 R153 D154 S155	G69-E151 CarbonylContact O-C 3.51Å; G69-E151 WeakPolarHBondContact O-CA 3.39Å; G69-E151 VanDerWaalsContact O-CB 3.32Å; G69-E151 WeakPolarHBondContact O-CB 3.29Å; T70-E151 WeakPolarHBondContact CA-OE1 3.29Å; F71-E151 HydrophobicContact CD2-CG 3.27Å; F71-E151 HydrophobicContact CE2-CG 3.55Å; F71-E151 HydrophobicContact CG-CG 4.09Å; F71-E151 PolarHBondContact N-OE1 3.39Å; E151-R153 PolarHBondContact O-N 3.37Å; E151-R153 VanDerWaalsContact O-N 3.15Å; E151-D154 WeakPolarHBondContact O-CB 3.39Å; E151-D154 PolarHBondContact O-N 3.4Å; E151-S155 PolarHBondContact O-N 3.39Å; E151-S155 PolarHBondContact O-OG 3.15Å
152	L	78.2	Confident	68.4	Low	104 Å²	104	90.2 Å²	90.2	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-57.2	-33	-179.3	-77.3	177.6	0	0	0	113	G69 D154 S155	G69-L152 PolarHBondContact O-N 3.43Å; L152-D154 VanDerWaalsContact C-N 3.26Å; L152-D154 PolarHBondContact O-N 2.8Å; L152-S155 VanDerWaalsContact C-OG 3.28Å; L152-S155 VanDerWaalsContact CA-OG 3.3Å; L152-S155 WeakPolarHBondContact CA-OG 3.4Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.11Å
153	R	63.8	Low	65.9	Low	192 Å²	192	97.3 Å²	97.3	73%	0.725	50%	0.498	S	S	*	.	H	α-helix	trans	-65.5	-28.7	177.8	-64.1	-178.7	-175.9	175.8	2	113	E151	E151-R153 PolarHBondContact O-N 3.37Å; E151-R153 VanDerWaalsContact O-N 3.15Å
154	D	56.9	Low	63.4	Low	80 Å²	80	95.3 Å²	95.3	43%	0.428	49%	0.488	S	S	.	.	H	α-helix	trans	-77.8	-30.3	178.5	-69.6	-24.7	0	0	0	111.3	F150 E151 L152 S157	F150-D154 HydrophobicContact CB-CB 4.35Å; F150-D154 HydrophobicContact CD1-CB 4.38Å; E151-D154 WeakPolarHBondContact O-CB 3.39Å; E151-D154 PolarHBondContact O-N 3.4Å; L152-D154 VanDerWaalsContact C-N 3.26Å; L152-D154 PolarHBondContact O-N 2.8Å; D154-S157 PolarHBondContact O-OG 2.89Å
155	S	50.9	Low	60.9	Low	57 Å²	57	97.9 Å²	97.9	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-70.3	-28.7	179.6	23.2	0	0	0	0	114.4	E151 L152 S157 T158	E151-S155 PolarHBondContact O-N 3.39Å; E151-S155 PolarHBondContact O-OG 3.15Å; L152-S155 VanDerWaalsContact C-OG 3.28Å; L152-S155 VanDerWaalsContact CA-OG 3.3Å; L152-S155 WeakPolarHBondContact CA-OG 3.4Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.11Å; S155-S157 VanDerWaalsContact C-N 3.27Å; S155-S157 PolarHBondContact O-N 3.08Å; S155-T158 PolarHBondContact O-N 2.71Å; S155-T158 PolarHBondContact O-OG1 3.39Å; S155-T158 VanDerWaalsContact O-OG1 3.14Å
156	E	44.9	Very low	58.6	Low	155 Å²	155	100.5 Å²	100.5	72%	0.724	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-77.4	-9.9	-177.9	-69.3	-175.5	134.7	0	0	114	T158	E156-T158 PolarHBondContact O-N 2.8Å
157	S	43.7	Very low	56	Low	106 Å²	106	106.9 Å²	106.9	74%	0.741	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-77.9	4.1	169.4	64.7	0	0	0	0	113.9	D154 S155	D154-S157 PolarHBondContact O-OG 2.89Å; S155-S157 VanDerWaalsContact C-N 3.27Å; S155-S157 PolarHBondContact O-N 3.08Å
158	T	43.6	Very low	53.8	Low	100 Å²	100	105.8 Å²	105.8	61%	0.613	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-119.8	14.8	-171.6	-14.7	0	0	0	0	115.2	S155 E156	S155-T158 PolarHBondContact O-N 2.71Å; S155-T158 PolarHBondContact O-OG1 3.39Å; S155-T158 VanDerWaalsContact O-OG1 3.14Å; E156-T158 PolarHBondContact O-N 2.8Å
159	S	31.5	Very low	51.8	Low	86 Å²	86	109.3 Å²	109.3	60%	0.601	57%	0.567	S	S	*	*			trans	-123.8	115.8	170.7	48.7	0	0	0	0	107.3
160	V	39.1	Very low	49.5	Very low	141 Å²	141	115.5 Å²	115.5	86%	0.855	60%	0.595	S	S	*	*	S	Bend		-155.1	-1.5	88.1	178.4	0	0	0	0	112.7
161	E	38.3	Very low	47.4	Very low	183 Å²	183	118.4 Å²	118.4	86%	0.855	61%	0.609	S	S	*	*	S	Bend	trans	-136.9	72.7	-173.3	-63.4	-172.1	151.8	0	0	113.1
162	D	40.7	Very low	45.3	Very low	91 Å²	91	121 Å²	121	49%	0.487	62%	0.617	S	S	.	*			trans	-175	115.3	139.7	-118.9	-30	0	0	0	110.7	N164 T165 L168	D162-N164 HydrophobicContact CB-CB 4.24Å; D162-N164 PolarHBondContact O-N 2.83Å; D162-N164 VanDerWaalsContact O-N 3.14Å; D162-N164 PolarHBondContact OD1-ND2 2.87Å; D162-T165 WeakPolarHBondContact O-CG2 3.45Å; D162-L168 HydrophobicContact CB-CD1 4.24Å
163	R	39.7	Very low	43.7	Very low	255 Å²	255	120.5 Å²	120.5	96%	0.962	62%	0.615	S	S	*	*	S	Bend	trans	-77.2	20.5	165.2	-78.1	179.6	163.9	172.2	-4.4	111.9
164	N	38.1	Very low	42.7	Very low	89 Å²	89	115.8 Å²	115.8	48%	0.476	60%	0.597	S	S	.	*			trans	-98.4	22.1	174.5	-73	-20.9	0	0	0	113.2	D162 V166 E167	D162-N164 HydrophobicContact CB-CB 4.24Å; D162-N164 PolarHBondContact O-N 2.83Å; D162-N164 VanDerWaalsContact O-N 3.14Å; D162-N164 PolarHBondContact OD1-ND2 2.87Å; N164-V166 PolarHBondContact O-N 3.14Å; N164-E167 PolarHBondContact O-N 2.83Å
165	T	42.4	Very low	42.1	Very low	91 Å²	91	117.4 Å²	117.4	56%	0.558	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-2.1	-172.5	38.9	0	0	0	0	116.8	D162	D162-T165 WeakPolarHBondContact O-CG2 3.45Å
166	V	44	Very low	41.8	Very low	127 Å²	127	116 Å²	116	77%	0.77	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-25.9	171.7	-177.2	0	0	0	0	112	N164	N164-V166 PolarHBondContact O-N 3.14Å
167	E	38.7	Very low	41.7	Very low	144 Å²	144	114.3 Å²	114.3	67%	0.673	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-23.2	173.3	-75.4	-167	145.3	0	0	112.9	N164 L169 E170	N164-E167 PolarHBondContact O-N 2.83Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 2.95Å; E167-E170 PolarHBondContact O-N 3.3Å
168	L	42.6	Very low	42.2	Very low	80 Å²	80	110.5 Å²	110.5	42%	0.419	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	-16	-179	-77.3	164.7	0	0	0	114.4	D162 E170 H171	D162-L168 HydrophobicContact CB-CD1 4.24Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-H171 PolarHBondContact O-N 3.48Å
169	L	47.2	Very low	42.6	Very low	103 Å²	103	106.4 Å²	106.4	54%	0.539	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.5	171.9	-71.4	167.8	0	0	0	111.5	E167 H171 R172	E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 2.95Å; L169-H171 PolarHBondContact O-N 2.94Å; L169-R172 PolarHBondContact O-N 2.72Å
170	E	41.4	Very low	43.8	Very low	160 Å²	160	105.6 Å²	105.6	75%	0.748	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.7	175.5	-60.6	-162.9	148.5	0	0	112.7	E167 L168	E167-E170 PolarHBondContact O-N 3.3Å; L168-E170 VanDerWaalsContact C-N 3.33Å
171	H	43.5	Very low	45.2	Very low	101 Å²	101	102.7 Å²	102.7	47%	0.468	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.8	177.2	-110.2	10.1	0	0	0	115.1	L168 L169 R174	L168-H171 PolarHBondContact O-N 3.48Å; L169-H171 PolarHBondContact O-N 2.94Å; H171-R174 VanDerWaalsContact CE1-CZ 3.41Å; H171-R174 PolarHBondContact CE1-NH1 2.77Å; H171-R174 PolarHBondContact NE2-NH1 3.47Å; H171-R174 VanDerWaalsContact NE2-NH1 3.11Å; H171-R174 WeakPolarHBondContact O-CB 3.36Å; H171-R174 PolarHBondContact O-N 3.32Å
172	R	42.6	Very low	47	Very low	96 Å²	96	98.5 Å²	98.5	36%	0.362	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-79.6	-19.5	-178.2	-109.9	179.2	163.4	-176.3	-2.4	114.3	F150 L169 R174 L175	F150-R172 VanDerWaalsContact CE2-CZ 3.41Å; F150-R172 VanDerWaalsContact CE2-NH1 3.28Å; L169-R172 PolarHBondContact O-N 2.72Å; R172-R174 PolarHBondContact O-N 2.79Å; R172-L175 HydrophobicContact CG-CD1 4.18Å; R172-L175 PolarHBondContact O-N 2.75Å; R172-L175 VanDerWaalsContact O-N 3.14Å
173	D	43.5	Very low	48.8	Very low	94 Å²	94	97.7 Å²	97.7	50%	0.503	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-60.3	-20.4	168	-87.9	-25.1	0	0	0	112.4	L175 S176	D173-L175 PolarHBondContact O-N 3.43Å; D173-S176 PolarHBondContact O-OG 3.26Å
174	R	43.4	Very low	50.6	Low	93 Å²	93	86.5 Å²	86.5	35%	0.351	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-76.1	-9.4	175	-71.9	-177.9	159.2	177.2	-6.3	115.5	H171 R172 S176 Y177 E180	H171-R174 VanDerWaalsContact CE1-CZ 3.41Å; H171-R174 PolarHBondContact CE1-NH1 2.77Å; H171-R174 PolarHBondContact NE2-NH1 3.47Å; H171-R174 VanDerWaalsContact NE2-NH1 3.11Å; H171-R174 WeakPolarHBondContact O-CB 3.36Å; H171-R174 PolarHBondContact O-N 3.32Å; R172-R174 PolarHBondContact O-N 2.79Å; R174-S176 CarbonylContact O-C 3.55Å; R174-S176 PolarHBondContact O-N 3.41Å; R174-Y177 HydrophobicContact CB-CD2 4.47Å; R174-Y177 WeakPolarHBondContact O-CA 3.34Å; R174-Y177 WeakPolarHBondContact O-CD2 3.37Å; R174-Y177 PolarHBondContact O-N 3.15Å; R174-Y177 VanDerWaalsContact O-N 3.12Å; R174-E180 IonicContact CZ-OE2 2.83Å; R174-E180 IonicContact NE-OE1 2.78Å; R174-E180 IonicContact NE-OE2 2.74Å; R174-E180 PolarHBondContact NE-OE2 3.4Å; R174-E180 IonicContact NH2-OE2 2.66Å; R174-E180 PolarHBondContact NH2-OE2 2.84Å
175	L	43.8	Very low	52.3	Low	114 Å²	114	86.3 Å²	86.3	60%	0.597	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-77	-10.4	178.3	-68.8	178.7	0	0	0	113.3	R172 D173	R172-L175 HydrophobicContact CG-CD1 4.18Å; R172-L175 PolarHBondContact O-N 2.75Å; R172-L175 VanDerWaalsContact O-N 3.14Å; D173-L175 PolarHBondContact O-N 3.43Å
176	S	44.3	Very low	53.9	Low	27 Å²	27	85.5 Å²	85.5	19%	0.189	43%	0.426	C	S	.	.	S	Bend	trans	-94	90.3	144.1	57.1	0	0	0	0	108.8	D173 R174 V178 R207	D173-S176 PolarHBondContact O-OG 3.26Å; R174-S176 CarbonylContact O-C 3.55Å; R174-S176 PolarHBondContact O-N 3.41Å; S176-V178 PolarHBondContact O-N 3.16Å; S176-R207 VanDerWaalsContact CB-CZ 3.47Å; S176-R207 VanDerWaalsContact CB-NH2 3.31Å; S176-R207 PolarHBondContact OG-NE 2.97Å; S176-R207 PolarHBondContact OG-NH2 2.91Å
177	Y	44.5	Very low	55.6	Low	120 Å²	120	83.4 Å²	83.4	47%	0.471	41%	0.408	S	S	.	.			trans	-71.7	80.7	179.2	-144.9	-87.9	0	0	0	108.5	R174 V179 K201	R174-Y177 HydrophobicContact CB-CD2 4.47Å; R174-Y177 WeakPolarHBondContact O-CA 3.34Å; R174-Y177 WeakPolarHBondContact O-CD2 3.37Å; R174-Y177 PolarHBondContact O-N 3.15Å; R174-Y177 VanDerWaalsContact O-N 3.12Å; Y177-V179 PolarHBondContact O-N 3.44Å; Y177-K201 PolarHBondContact O-NZ 3.48Å
178	V	52.5	Low	57.7	Low	25 Å²	25	83.9 Å²	83.9	15%	0.152	41%	0.41	C	S	.	.			trans	-43.7	127.3	141.9	-178.9	0	0	0	0	104.6	S176 E180 S287	S176-V178 PolarHBondContact O-N 3.16Å; V178-E180 PolarHBondContact O-N 3.23Å; V178-S287 VanDerWaalsContact CG1-C 3.47Å; V178-S287 WeakPolarHBondContact CG1-O 3.47Å
179	V	52.8	Low	59.8	Low	15 Å²	15	81.6 Å²	81.6	9%	0.091	40%	0.397	C	S	.	.			trans	-66.9	93.3	-179.5	178.8	0	0	0	0	106.6	Y177 D181 W184 K201 P213	Y177-V179 PolarHBondContact O-N 3.44Å; V179-D181 HydrophobicContact CG1-CB 3.56Å; V179-D181 PolarHBondContact O-N 3.43Å; V179-W184 HydrophobicContact CG1-CG 4.32Å; V179-K201 VanDerWaalsContact CG2-NZ 3.31Å; V179-P213 HydrophobicContact CB-CG 4.07Å; V179-P213 HydrophobicContact CG1-CG 4.45Å; V179-P213 HydrophobicContact CG2-CG 3.73Å
180	E	56.2	Low	61.6	Low	69 Å²	69	76.9 Å²	76.9	32%	0.322	37%	0.372	S	S	.	.			trans	-77.2	20.2	171.6	-66.6	-179.1	-169.4	0	0	110.9	R174 V178 P182	R174-E180 IonicContact CZ-OE2 2.83Å; R174-E180 IonicContact NE-OE1 2.78Å; R174-E180 IonicContact NE-OE2 2.74Å; R174-E180 PolarHBondContact NE-OE2 3.4Å; R174-E180 IonicContact NH2-OE2 2.66Å; R174-E180 PolarHBondContact NH2-OE2 2.84Å; V178-E180 PolarHBondContact O-N 3.23Å; E180-P182 WeakPolarHBondContact O-CD 3.32Å
181	D	68.1	Low	63.7	Low	79 Å²	79	70.9 Å²	70.9	42%	0.422	35%	0.345	S	S	.	.			trans	-68.3	115.7	171.1	-178.6	-14.7	0	0	0	106.7	V179 I183 W184	V179-D181 HydrophobicContact CG1-CB 3.56Å; V179-D181 PolarHBondContact O-N 3.43Å; D181-I183 HydrophobicContact CB-CG2 4.27Å; D181-I183 VanDerWaalsContact CG-CG2 3.44Å; D181-I183 PolarHBondContact O-N 3.49Å; D181-I183 VanDerWaalsContact OD1-CG2 3.28Å; D181-I183 WeakPolarHBondContact OD1-CG2 3.12Å; D181-I183 PolarHBondContact OD1-N 3.5Å; D181-W184 PolarHBondContact O-N 2.96Å
182	P	76.3	Confident	65.8	Low	95 Å²	95	66.8 Å²	66.8	62%	0.617	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-55.4	-20	-173.7	-26.4	35.6	0	0	0	113.5	E180 W184 E185	E180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-W184 PolarHBondContact O-N 3.11Å; P182-E185 VanDerWaalsContact O-CB 3.31Å; P182-E185 WeakPolarHBondContact O-CB 3.35Å; P182-E185 PolarHBondContact O-N 2.64Å
183	I	78.9	Confident	68.1	Low	74 Å²	74	67 Å²	67	38%	0.379	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.7	175.4	-152.4	173.1	0	0	0	112.8	D181 E185 D186 H189	D181-I183 HydrophobicContact CB-CG2 4.27Å; D181-I183 VanDerWaalsContact CG-CG2 3.44Å; D181-I183 PolarHBondContact O-N 3.49Å; D181-I183 VanDerWaalsContact OD1-CG2 3.28Å; D181-I183 WeakPolarHBondContact OD1-CG2 3.12Å; D181-I183 PolarHBondContact OD1-N 3.5Å; I183-E185 PolarHBondContact O-N 3.45Å; I183-D186 WeakPolarHBondContact O-CB 3.41Å; I183-D186 PolarHBondContact O-N 3.47Å; I183-H189 WeakPolarHBondContact CD1-CE1 3.32Å; I183-H189 WeakPolarHBondContact CD1-ND1 3.46Å; I183-H189 HydrophobicContact CG1-CB 4.31Å; I183-H189 WeakPolarHBondContact CG1-ND1 3.44Å; I183-H189 WeakPolarHBondContact O-CB 3.23Å; I183-H189 PolarHBondContact O-CD2 3.48Å
184	W	78	Confident	70.3	Confident	20 Å²	20	62.7 Å²	62.7	8%	0.076	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-79	-5.3	174.9	-65.4	94.3	0	0	0	113.3	V179 D181 P182 D186 H189 V190 Y194 P213 V288	V179-W184 HydrophobicContact CG1-CG 4.32Å; D181-W184 PolarHBondContact O-N 2.96Å; P182-W184 PolarHBondContact O-N 3.11Å; W184-D186 VanDerWaalsContact C-N 3.3Å; W184-H189 AromaticContact CZ2-NE2 3.88Å; W184-V190 HydrophobicContact CE3-CG2 4.04Å; W184-V190 VanDerWaalsContact O-CG2 3.23Å; W184-V190 WeakPolarHBondContact O-CG2 3.35Å; W184-Y194 HydrophobicContact CE3-CD2 4.48Å; W184-Y194 HydrophobicContact CZ3-CD2 4.14Å; W184-P213 HydrophobicContact CD2-CB 3.67Å; W184-P213 HydrophobicContact CD2-CG 4.06Å; W184-P213 HydrophobicContact CE3-CB 3.64Å; W184-P213 HydrophobicContact CH2-CB 3.45Å; W184-P213 VanDerWaalsContact CH2-CB 3.45Å; W184-P213 HydrophobicContact CH2-CG 4.32Å; W184-P213 HydrophobicContact CZ2-CB 3.44Å; W184-P213 VanDerWaalsContact CZ2-CB 3.44Å; W184-P213 HydrophobicContact CZ2-CG 3.81Å; W184-P213 HydrophobicContact CZ3-CB 3.54Å; W184-V288 HydrophobicContact CB-CG1 4.21Å
185	E	72.7	Confident	72.6	Confident	86 Å²	86	58.3 Å²	58.3	40%	0.402	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-78.7	-17.7	165.9	-66.4	-163.1	-145.3	0	0	112.6	P182 I183 F284 V288 R289	P182-E185 VanDerWaalsContact O-CB 3.31Å; P182-E185 WeakPolarHBondContact O-CB 3.35Å; P182-E185 PolarHBondContact O-N 2.64Å; I183-E185 PolarHBondContact O-N 3.45Å; E185-F284 VanDerWaalsContact O-CE1 3.27Å; E185-F284 WeakPolarHBondContact O-CE1 3.36Å; E185-F284 VanDerWaalsContact O-CZ 3.3Å; E185-F284 WeakPolarHBondContact O-CZ 3.36Å; E185-V288 HydrophobicContact CB-CG1 4.42Å; E185-V288 HydrophobicContact CG-CG1 3.53Å; E185-R289 IonicContact OE2-CZ 3.75Å; E185-R289 IonicContact OE2-NE 3.62Å; E185-R289 PolarHBondContact OE2-NE 3.13Å; E185-R289 IonicContact OE2-NH2 2.71Å; E185-R289 PolarHBondContact OE2-NH2 3.21Å
186	D	77.9	Confident	74.9	Confident	73 Å²	73	54.1 Å²	54.1	39%	0.39	27%	0.27	S	S	.	.			trans	-79.4	126.1	176.3	176.1	44.2	0	0	0	111.5	I183 W184 E188 H189 V190	I183-D186 WeakPolarHBondContact O-CB 3.41Å; I183-D186 PolarHBondContact O-N 3.47Å; W184-D186 VanDerWaalsContact C-N 3.3Å; D186-E188 VanDerWaalsContact C-N 3.35Å; D186-E188 PolarHBondContact O-N 2.82Å; D186-E188 PolarHBondContact OD1-N 3.17Å; D186-E188 PolarHBondContact OD2-N 2.83Å; D186-H189 HydrophobicContact CB-CB 3.94Å; D186-H189 PolarHBondContact O-N 3.26Å; D186-H189 WeakPolarHBondContact OD2-CB 3.49Å; D186-H189 PolarHBondContact OD2-N 3.33Å; D186-V190 VanDerWaalsContact O-CG2 3.26Å; D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 2.81Å
187	Q	78.2	Confident	77.3	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-38.2	-177.5	174.4	173.9	-27.4	0	0	111.8	V190 L191 W276 L280	Q187-V190 PolarHBondContact O-N 3.08Å; Q187-L191 HydrophobicContact CG-CD1 4.14Å; Q187-L191 WeakPolarHBondContact O-CG 3.39Å; Q187-L191 PolarHBondContact O-N 3.36Å; Q187-W276 VanDerWaalsContact NE2-CZ3 3.28Å; Q187-L280 HydrophobicContact CG-CD1 3.76Å
188	E	83.3	Confident	79.6	Confident	153 Å²	153	56.4 Å²	56.4	72%	0.715	29%	0.285	S	S	*	.	H	α-helix	trans	-67.6	-43.3	-179.6	-63.2	-178.1	175.3	0	0	110.2	D186 L191 A192	D186-E188 VanDerWaalsContact C-N 3.35Å; D186-E188 PolarHBondContact O-N 2.82Å; D186-E188 PolarHBondContact OD1-N 3.17Å; D186-E188 PolarHBondContact OD2-N 2.83Å; E188-L191 PolarHBondContact O-N 3.48Å; E188-A192 WeakPolarHBondContact O-CB 3.43Å; E188-A192 PolarHBondContact O-N 3.31Å
189	H	85.8	Confident	81.3	Confident	32 Å²	32	56 Å²	56	15%	0.148	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-47.9	173.7	-169	82.8	0	0	0	112.7	I183 W184 D186 L191 A192 Y193	I183-H189 WeakPolarHBondContact CD1-CE1 3.32Å; I183-H189 WeakPolarHBondContact CD1-ND1 3.46Å; I183-H189 HydrophobicContact CG1-CB 4.31Å; I183-H189 WeakPolarHBondContact CG1-ND1 3.44Å; I183-H189 WeakPolarHBondContact O-CB 3.23Å; I183-H189 PolarHBondContact O-CD2 3.48Å; W184-H189 AromaticContact CZ2-NE2 3.88Å; D186-H189 HydrophobicContact CB-CB 3.94Å; D186-H189 PolarHBondContact O-N 3.26Å; D186-H189 WeakPolarHBondContact OD2-CB 3.49Å; D186-H189 PolarHBondContact OD2-N 3.33Å; H189-L191 VanDerWaalsContact C-N 3.33Å; H189-L191 PolarHBondContact O-N 3.37Å; H189-A192 PolarHBondContact O-N 3.02Å; H189-A192 VanDerWaalsContact O-N 3.15Å; H189-Y193 AromaticContact CE1-CD2 3.32Å; H189-Y193 WeakPolarHBondContact CE1-CD2 3.4Å; H189-Y193 AromaticContact CE1-CE2 3.85Å; H189-Y193 AromaticContact CE1-CG 3.99Å; H189-Y193 AromaticContact CG-CD2 3.86Å; H189-Y193 AromaticContact ND1-CD2 3.34Å; H189-Y193 VanDerWaalsContact ND1-CD2 3.34Å; H189-Y193 WeakPolarHBondContact ND1-CD2 3.36Å; H189-Y193 AromaticContact ND1-CE2 3.67Å; H189-Y193 AromaticContact NE2-CD2 3.83Å; H189-Y193 WeakPolarHBondContact O-CD2 3.43Å; H189-Y193 PolarHBondContact O-N 2.92Å
190	V	85.3	Confident	83	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-46.1	177	171.7	0	0	0	0	110.7	W184 D186 Q187 A192 Y194 F267 L280 F284	W184-V190 HydrophobicContact CE3-CG2 4.04Å; W184-V190 VanDerWaalsContact O-CG2 3.23Å; W184-V190 WeakPolarHBondContact O-CG2 3.35Å; D186-V190 VanDerWaalsContact O-CG2 3.26Å; D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 2.81Å; Q187-V190 PolarHBondContact O-N 3.08Å; V190-A192 VanDerWaalsContact C-N 3.28Å; V190-A192 PolarHBondContact O-N 3.5Å; V190-Y194 WeakPolarHBondContact O-CB 3.26Å; V190-Y194 PolarHBondContact O-N 3.31Å; V190-F267 HydrophobicContact CG1-CD1 4.2Å; V190-F267 HydrophobicContact CG1-CE1 3.61Å; V190-L280 HydrophobicContact CG1-CD2 3.75Å; V190-F284 HydrophobicContact CG2-CE2 4.46Å; V190-F284 HydrophobicContact CG2-CZ 4.37Å
191	L	86	Confident	84	Confident	34 Å²	34	63.3 Å²	63.3	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-32.2	178.7	-73.1	172.7	0	0	0	112.5	Q187 E188 H189 R222 F267	Q187-L191 HydrophobicContact CG-CD1 4.14Å; Q187-L191 WeakPolarHBondContact O-CG 3.39Å; Q187-L191 PolarHBondContact O-N 3.36Å; E188-L191 PolarHBondContact O-N 3.48Å; H189-L191 VanDerWaalsContact C-N 3.33Å; H189-L191 PolarHBondContact O-N 3.37Å; L191-R222 VanDerWaalsContact O-CZ 3.23Å; L191-R222 PolarHBondContact O-NH1 3.37Å; L191-R222 PolarHBondContact O-NH2 3.36Å; L191-F267 HydrophobicContact CD2-CD1 4.49Å
192	A	87.5	Confident	84.2	Confident	15 Å²	15	62.2 Å²	62.2	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-76.3	-46.3	177.8	0	0	0	0	0	112.6	E188 H189 V190 R222 L226	E188-A192 WeakPolarHBondContact O-CB 3.43Å; E188-A192 PolarHBondContact O-N 3.31Å; H189-A192 PolarHBondContact O-N 3.02Å; H189-A192 VanDerWaalsContact O-N 3.15Å; V190-A192 VanDerWaalsContact C-N 3.28Å; V190-A192 PolarHBondContact O-N 3.5Å; A192-R222 PolarHBondContact O-NH1 3.25Å; A192-L226 HydrophobicContact CB-CD1 4.2Å
193	Y	90.3	Very high	83.8	Confident	100 Å²	100	62.8 Å²	62.8	39%	0.392	31%	0.313	S	S	.	.	H	α-helix	trans	-117.8	-6	-161.5	-59	-74.8	0	0	0	115.5	H189 K195 T196 L226	H189-Y193 AromaticContact CE1-CD2 3.32Å; H189-Y193 WeakPolarHBondContact CE1-CD2 3.4Å; H189-Y193 AromaticContact CE1-CE2 3.85Å; H189-Y193 AromaticContact CE1-CG 3.99Å; H189-Y193 AromaticContact CG-CD2 3.86Å; H189-Y193 AromaticContact ND1-CD2 3.34Å; H189-Y193 VanDerWaalsContact ND1-CD2 3.34Å; H189-Y193 WeakPolarHBondContact ND1-CD2 3.36Å; H189-Y193 AromaticContact ND1-CE2 3.67Å; H189-Y193 AromaticContact NE2-CD2 3.83Å; H189-Y193 WeakPolarHBondContact O-CD2 3.43Å; H189-Y193 PolarHBondContact O-N 2.92Å; Y193-K195 PolarHBondContact O-N 2.92Å; Y193-K195 VanDerWaalsContact O-N 3.15Å; Y193-T196 PolarHBondContact O-N 3.2Å; Y193-T196 PolarHBondContact O-OG1 3.15Å; Y193-L226 HydrophobicContact CE1-CD1 3.99Å
194	Y	90	Very high	82.8	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.016	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	123.2	-179.2	-171.6	-100.4	0	0	0	111.6	W184 V190 T196 Y210 P213 R222 T263 F267 I283	W184-Y194 HydrophobicContact CE3-CD2 4.48Å; W184-Y194 HydrophobicContact CZ3-CD2 4.14Å; V190-Y194 WeakPolarHBondContact O-CB 3.26Å; V190-Y194 PolarHBondContact O-N 3.31Å; Y194-T196 PolarHBondContact O-N 3.29Å; Y194-Y210 WeakPolarHBondContact OH-CA 3.19Å; Y194-Y210 PolarHBondContact OH-O 3.49Å; Y194-P213 HydrophobicContact CD2-CB 4.03Å; Y194-P213 HydrophobicContact CE2-CB 4.29Å; Y194-R222 WeakPolarHBondContact O-CD 3.02Å; Y194-T263 HydrophobicContact CD1-CG2 4.15Å; Y194-T263 HydrophobicContact CE1-CG2 4.19Å; Y194-F267 HydrophobicContact CD1-CD1 4.09Å; Y194-F267 AromaticContact CD1-CD2 3.81Å; Y194-F267 HydrophobicContact CD1-CD2 3.81Å; Y194-F267 AromaticContact CD1-CE1 3.67Å; Y194-F267 HydrophobicContact CD1-CE1 3.67Å; Y194-F267 AromaticContact CD1-CE2 3.36Å; Y194-F267 HydrophobicContact CD1-CE2 3.36Å; Y194-F267 HydrophobicContact CD1-CG 4.1Å; Y194-F267 AromaticContact CD1-CZ 3.2Å; Y194-F267 HydrophobicContact CD1-CZ 3.2Å; Y194-F267 HydrophobicContact CD2-CZ 4.36Å; Y194-F267 HydrophobicContact CE1-CD2 4.03Å; Y194-F267 HydrophobicContact CE1-CE1 4.12Å; Y194-F267 AromaticContact CE1-CE2 3.2Å; Y194-F267 HydrophobicContact CE1-CE2 3.2Å; Y194-F267 AromaticContact CE1-CZ 3.19Å; Y194-F267 HydrophobicContact CE1-CZ 3.19Å; Y194-F267 HydrophobicContact CE2-CZ 4.36Å; Y194-F267 HydrophobicContact CG-CD1 4.44Å; Y194-F267 AromaticContact CG-CE1 3.92Å; Y194-F267 HydrophobicContact CG-CE1 3.92Å; Y194-F267 HydrophobicContact CG-CE2 4.38Å; Y194-F267 AromaticContact CG-CZ 3.81Å; Y194-F267 HydrophobicContact CG-CZ 3.81Å; Y194-F267 AromaticContact CZ-CZ 3.8Å; Y194-I283 HydrophobicContact CE1-CD1 4.46Å; Y194-I283 HydrophobicContact CE2-CG2 4.4Å
195	K	91.5	Very high	82.3	Confident	1 Å²	1	69 Å²	69	0%	0.004	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	25.3	179.7	-68.8	179.2	176.2	-64.4	0	114.6	Y193 G209 C212 P213 F214 Y215 D220 R222 T263	Y193-K195 PolarHBondContact O-N 2.92Å; Y193-K195 VanDerWaalsContact O-N 3.15Å; K195-G209 WeakPolarHBondContact CE-O 3.31Å; K195-G209 PolarHBondContact NZ-O 3.33Å; K195-C212 PolarHBondContact NZ-O 2.9Å; K195-P213 VanDerWaalsContact CA-O 3.25Å; K195-P213 WeakPolarHBondContact CA-O 3.37Å; K195-P213 PolarHBondContact N-O 2.91Å; K195-F214 PolarHBondContact NZ-O 2.88Å; K195-Y215 WeakPolarHBondContact O-CD1 3.48Å; K195-D220 VanDerWaalsContact CD-OD1 3.27Å; K195-D220 WeakPolarHBondContact CD-OD1 3.27Å; K195-D220 WeakPolarHBondContact CE-OD1 3.29Å; K195-D220 VanDerWaalsContact NZ-CG 3.25Å; K195-D220 IonicContact NZ-OD1 2.75Å; K195-D220 PolarHBondContact NZ-OD1 3.08Å; K195-D220 IonicContact NZ-OD2 3.56Å; K195-D220 PolarHBondContact NZ-OD2 2.88Å; K195-R222 HydrophobicContact CB-CB 4.13Å; K195-R222 PolarHBondContact O-N 3.07Å; K195-T263 HydrophobicContact CB-CG2 3.96Å; K195-T263 HydrophobicContact CD-CG2 3.55Å; K195-T263 HydrophobicContact CG-CG2 4.29Å
196	T	93.2	Very high	82.2	Confident	27 Å²	27	65.5 Å²	65.5	17%	0.166	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-23.3	175.5	61.1	0	0	0	0	113.1	Y193 Y194 R222	Y193-T196 PolarHBondContact O-N 3.2Å; Y193-T196 PolarHBondContact O-OG1 3.15Å; Y194-T196 PolarHBondContact O-N 3.29Å; T196-R222 WeakPolarHBondContact CA-O 3.24Å; T196-R222 HydrophobicContact CG2-CG 4.39Å
197	E	93.6	Very high	81.7	Confident	101 Å²	101	68.3 Å²	68.3	47%	0.472	33%	0.327	S	S	.	.	S	Bend	trans	-116.7	150.5	-179.9	-66.3	-169.9	175.6	0	0	112.9	F214 Y215	E197-F214 HydrophobicContact CB-CD1 3.91Å; E197-F214 HydrophobicContact CB-CE1 4.3Å; E197-F214 CarbonylContact O-C 3.35Å; E197-F214 VanDerWaalsContact O-CA 3.29Å; E197-F214 WeakPolarHBondContact O-CA 3.25Å; E197-F214 WeakPolarHBondContact O-CB 3.18Å; E197-Y215 WeakPolarHBondContact O-CD1 3.21Å; E197-Y215 PolarHBondContact O-N 3.15Å
198	L	92.8	Very high	81.4	Confident	94 Å²	94	68.6 Å²	68.6	49%	0.492	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-69.2	136.2	177.7	-177.5	70.3	0	0	0	110.2	K200 Y215	L198-K200 PolarHBondContact O-N 3.4Å; L198-K200 VanDerWaalsContact O-N 3.15Å; L198-Y215 HydrophobicContact CB-CE1 4.15Å; L198-Y215 HydrophobicContact CB-CE2 4.01Å; L198-Y215 HydrophobicContact CD1-CD2 3.87Å; L198-Y215 HydrophobicContact CD1-CE2 3.49Å; L198-Y215 VanDerWaalsContact CD1-CE2 3.49Å; L198-Y215 HydrophobicContact CG-CE2 4.35Å
199	C	88.8	Confident	81	Confident	17 Å²	17	63 Å²	63	12%	0.115	31%	0.312	C	S	.	.			trans	-63.9	116.8	177.4	-171.7	0	0	0	0	111.1	K201 C206 C212 F214 Y215 H216	C199-K201 VanDerWaalsContact C-N 3.33Å; C199-C206 VanDerWaalsContact SG-SG 3.68Å; C199-C212 VanDerWaalsContact SG-SG 3.62Å; C199-F214 HydrophobicContact CB-CB 3.62Å; C199-Y215 WeakPolarHBondContact CB-O 3.47Å; C199-Y215 PolarHBondContact N-O 3.31Å; C199-H216 WeakPolarHBondContact CB-NE2 3.33Å; C199-H216 PolarHBondContact SG-NE2 3.04Å
200	K	88	Confident	80.4	Confident	185 Å²	185	66.4 Å²	66.4	80%	0.804	32%	0.324	S	S	*	.			trans	-85	-8.3	175.4	-61.8	175.4	-175.5	165.7	0	112.8	L198	L198-K200 PolarHBondContact O-N 3.4Å; L198-K200 VanDerWaalsContact O-N 3.15Å
201	K	77	Confident	79.9	Confident	52 Å²	52	67.3 Å²	67.3	23%	0.226	33%	0.332	C	S	.	.	S	Bend	trans	-68	135.8	179.3	-66.3	-178.4	177	179.6	0	109.1	Y177 V179 C199 C206	Y177-K201 PolarHBondContact O-NZ 3.48Å; V179-K201 VanDerWaalsContact CG2-NZ 3.31Å; C199-K201 VanDerWaalsContact C-N 3.33Å; K201-C206 HydrophobicContact CB-CB 4.04Å; K201-C206 HydrophobicContact CD-CB 4.41Å
202	P	73.3	Confident	79.7	Confident	55 Å²	55	65.8 Å²	65.8	36%	0.357	32%	0.324	S	S	.	.			trans	-49.6	138.4	166.4	-26.7	34.7	0	0	0	109.8	R204 L205	P202-R204 HydrophobicContact CB-CG 3.9Å; P202-R204 PolarHBondContact O-N 3.02Å; P202-L205 HydrophobicContact CG-CD1 4.31Å; P202-L205 PolarHBondContact O-N 3.45Å
203	P	67	Low	79.7	Confident	107 Å²	107	65.2 Å²	65.2	70%	0.695	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-50.1	-31.9	-177.3	-30.9	35.5	0	0	0	114.2	L205 C206	P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 2.94Å; P203-C206 PolarHBondContact O-N 3.48Å
204	R	58.8	Low	79.6	Confident	148 Å²	148	62.7 Å²	62.7	56%	0.558	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.6	-25.8	175.6	66.1	-175.9	179.4	95.6	-2.1	115.3	D76 P202	D76-R204 HydrophobicContact CB-CB 4.29Å; P202-R204 HydrophobicContact CB-CG 3.9Å; P202-R204 PolarHBondContact O-N 3.02Å
205	L	66.2	Low	79.7	Confident	76 Å²	76	64.9 Å²	64.9	40%	0.398	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-101.3	-7.5	-176.9	-61.9	-175.9	0	0	0	113.1	P202 P203	P202-L205 HydrophobicContact CG-CD1 4.31Å; P202-L205 PolarHBondContact O-N 3.45Å; P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 2.94Å
206	C	70.7	Confident	79.5	Confident	14 Å²	14	67 Å²	67	10%	0.095	33%	0.329	C	S	.	.			trans	-105.8	123.7	-176	-169.5	0	0	0	0	111.4	C199 K201 P203 Q208 C212 H216	C199-C206 VanDerWaalsContact SG-SG 3.68Å; K201-C206 HydrophobicContact CB-CB 4.04Å; K201-C206 HydrophobicContact CD-CB 4.41Å; P203-C206 PolarHBondContact O-N 3.48Å; C206-Q208 PolarHBondContact O-N 2.76Å; C206-Q208 VanDerWaalsContact O-N 3.15Å; C206-Q208 PolarHBondContact SG-N 3Å; C206-Q208 VanDerWaalsContact SG-N 3.39Å; C206-C212 WeakPolarHBondContact SG-CB 3.34Å; C206-C212 PolarHBondContact SG-SG 2.96Å; C206-H216 PolarHBondContact SG-NE2 3.38Å
207	R	67.9	Low	79.3	Confident	132 Å²	132	69.9 Å²	69.9	50%	0.498	34%	0.343	S	S	.	.			trans	-69.1	-5	173.7	-77.6	-161.5	171.5	-171.4	9	114.2	S176 A211	S176-R207 VanDerWaalsContact CB-CZ 3.47Å; S176-R207 VanDerWaalsContact CB-NH2 3.31Å; S176-R207 PolarHBondContact OG-NE 2.97Å; S176-R207 PolarHBondContact OG-NH2 2.91Å; R207-A211 HydrophobicContact CB-CB 3.95Å
208	Q	72.5	Confident	79.3	Confident	89 Å²	89	66.7 Å²	66.7	42%	0.416	33%	0.332	S	S	.	.			trans	49.2	-175.8	-173.7	-61.8	-173.5	-17	0	0	112.4	C206	C206-Q208 PolarHBondContact O-N 2.76Å; C206-Q208 VanDerWaalsContact O-N 3.15Å; C206-Q208 PolarHBondContact SG-N 3Å; C206-Q208 VanDerWaalsContact SG-N 3.39Å
209	G	74.1	Confident	79.2	Confident	36 Å²	36	67.7 Å²	67.7	37%	0.371	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	62	-143.7	178.8	0	0	0	0	0	112.9	K195 A211 C212	K195-G209 WeakPolarHBondContact CE-O 3.31Å; K195-G209 PolarHBondContact NZ-O 3.33Å; G209-A211 VanDerWaalsContact C-N 3.29Å; G209-A211 PolarHBondContact O-N 3.17Å; G209-C212 PolarHBondContact O-N 2.82Å
210	Y	73.9	Confident	79.3	Confident	104 Å²	104	68 Å²	68	41%	0.408	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.6	-25.2	-173.5	-64.3	-73.8	0	0	0	114.2	Y194 C212 I283 S287	Y194-Y210 WeakPolarHBondContact OH-CA 3.19Å; Y194-Y210 PolarHBondContact OH-O 3.49Å; Y210-C212 PolarHBondContact O-N 2.78Å; Y210-I283 HydrophobicContact CD1-CD1 3.55Å; Y210-I283 HydrophobicContact CD1-CG1 4.04Å; Y210-I283 HydrophobicContact CE1-CD1 4.1Å; Y210-I283 HydrophobicContact CG-CD1 4.38Å; Y210-I283 HydrophobicContact CG-CG1 4.41Å; Y210-S287 PolarHBondContact O-OG 3Å
211	A	74.4	Confident	79.5	Confident	22 Å²	22	61.5 Å²	61.5	18%	0.182	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-69.6	-19.1	-177.2	0	0	0	0	0	113.6	R207 G209 S287	R207-A211 HydrophobicContact CB-CB 3.95Å; G209-A211 VanDerWaalsContact C-N 3.29Å; G209-A211 PolarHBondContact O-N 3.17Å; A211-S287 WeakPolarHBondContact CA-OG 3.39Å; A211-S287 PolarHBondContact O-OG 3Å
212	C	81.3	Confident	80.4	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.014	29%	0.293	C	S	.	.			trans	-105.5	122.8	177.1	-172.4	0	0	0	0	109.4	K195 C199 C206 G209 Y210 F214 H216	K195-C212 PolarHBondContact NZ-O 2.9Å; C199-C212 VanDerWaalsContact SG-SG 3.62Å; C206-C212 WeakPolarHBondContact SG-CB 3.34Å; C206-C212 PolarHBondContact SG-SG 2.96Å; G209-C212 PolarHBondContact O-N 2.82Å; Y210-C212 PolarHBondContact O-N 2.78Å; C212-F214 PolarHBondContact O-N 3.27Å; C212-F214 VanDerWaalsContact O-N 3.14Å; C212-F214 PolarHBondContact SG-N 3.08Å; C212-H216 VanDerWaalsContact SG-CE1 3.55Å
213	P	88	Confident	81.4	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.026	28%	0.277	C	S	.	.	S	Bend	trans	-71.9	-2.3	177.2	30.1	-34.4	0	0	0	113.2	V179 W184 Y194 K195	V179-P213 HydrophobicContact CB-CG 4.07Å; V179-P213 HydrophobicContact CG1-CG 4.45Å; V179-P213 HydrophobicContact CG2-CG 3.73Å; W184-P213 HydrophobicContact CD2-CB 3.67Å; W184-P213 HydrophobicContact CD2-CG 4.06Å; W184-P213 HydrophobicContact CE3-CB 3.64Å; W184-P213 HydrophobicContact CH2-CB 3.45Å; W184-P213 VanDerWaalsContact CH2-CB 3.45Å; W184-P213 HydrophobicContact CH2-CG 4.32Å; W184-P213 HydrophobicContact CZ2-CB 3.44Å; W184-P213 VanDerWaalsContact CZ2-CB 3.44Å; W184-P213 HydrophobicContact CZ2-CG 3.81Å; W184-P213 HydrophobicContact CZ3-CB 3.54Å; Y194-P213 HydrophobicContact CD2-CB 4.03Å; Y194-P213 HydrophobicContact CE2-CB 4.29Å; K195-P213 VanDerWaalsContact CA-O 3.25Å; K195-P213 WeakPolarHBondContact CA-O 3.37Å; K195-P213 PolarHBondContact N-O 2.91Å
214	F	88.9	Confident	82.6	Confident	47 Å²	47	52.3 Å²	52.3	21%	0.206	25%	0.248	C	C	.	.	S	Bend	trans	-106.8	153.4	178.3	-55.1	-73	0	0	0	110.7	K195 E197 C199 C212 H216	K195-F214 PolarHBondContact NZ-O 2.88Å; E197-F214 HydrophobicContact CB-CD1 3.91Å; E197-F214 HydrophobicContact CB-CE1 4.3Å; E197-F214 CarbonylContact O-C 3.35Å; E197-F214 VanDerWaalsContact O-CA 3.29Å; E197-F214 WeakPolarHBondContact O-CA 3.25Å; E197-F214 WeakPolarHBondContact O-CB 3.18Å; C199-F214 HydrophobicContact CB-CB 3.62Å; C212-F214 PolarHBondContact O-N 3.27Å; C212-F214 VanDerWaalsContact O-N 3.14Å; C212-F214 PolarHBondContact SG-N 3.08Å; F214-H216 PolarHBondContact O-CE1 3.14Å; F214-H216 VanDerWaalsContact O-CE1 3.24Å; F214-H216 PolarHBondContact O-ND1 2.94Å
215	Y	91	Very high	84.1	Confident	50 Å²	50	46.6 Å²	46.6	20%	0.196	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-85.5	156.5	177.4	75.4	-98.3	0	0	0	112	K195 E197 L198 C199 D220 R221	K195-Y215 WeakPolarHBondContact O-CD1 3.48Å; E197-Y215 WeakPolarHBondContact O-CD1 3.21Å; E197-Y215 PolarHBondContact O-N 3.15Å; L198-Y215 HydrophobicContact CB-CE1 4.15Å; L198-Y215 HydrophobicContact CB-CE2 4.01Å; L198-Y215 HydrophobicContact CD1-CD2 3.87Å; L198-Y215 HydrophobicContact CD1-CE2 3.49Å; L198-Y215 VanDerWaalsContact CD1-CE2 3.49Å; L198-Y215 HydrophobicContact CG-CE2 4.35Å; C199-Y215 WeakPolarHBondContact CB-O 3.47Å; C199-Y215 PolarHBondContact N-O 3.31Å; Y215-D220 VanDerWaalsContact CA-OD2 3.26Å; Y215-D220 WeakPolarHBondContact CA-OD2 3.08Å; Y215-R221 HydrophobicContact CD1-CB 4.04Å; Y215-R221 HydrophobicContact CD1-CG 3.66Å; Y215-R221 HydrophobicContact CD2-CB 3.83Å; Y215-R221 HydrophobicContact CD2-CG 4.17Å; Y215-R221 HydrophobicContact CE1-CB 4.37Å; Y215-R221 HydrophobicContact CE1-CG 3.66Å; Y215-R221 HydrophobicContact CE2-CB 4.2Å; Y215-R221 HydrophobicContact CE2-CG 4.18Å; Y215-R221 HydrophobicContact CG-CB 3.76Å; Y215-R221 HydrophobicContact CG-CG 3.93Å
216	H	88.1	Confident	85.1	Confident	46 Å²	46	48.4 Å²	48.4	21%	0.213	24%	0.24	C	C	.	.	S	Bend	trans	-119.2	-15.7	-179.3	-59.7	76.7	0	0	0	114.1	C199 C206 C212 F214 D220	C199-H216 WeakPolarHBondContact CB-NE2 3.33Å; C199-H216 PolarHBondContact SG-NE2 3.04Å; C206-H216 PolarHBondContact SG-NE2 3.38Å; C212-H216 VanDerWaalsContact SG-CE1 3.55Å; F214-H216 PolarHBondContact O-CE1 3.14Å; F214-H216 VanDerWaalsContact O-CE1 3.24Å; F214-H216 PolarHBondContact O-ND1 2.94Å; H216-D220 PolarHBondContact N-OD2 2.78Å; H216-D220 VanDerWaalsContact N-OD2 3.1Å; H216-D220 IonicContact ND1-OD2 3.38Å; H216-D220 PolarHBondContact ND1-OD2 3.15Å
217	N	89.7	Confident	86.1	Confident	86 Å²	86	55.6 Å²	55.6	46%	0.46	27%	0.272	S	S	.	.	S	Bend	trans	-158.6	174.2	178.1	57.9	60.1	0	0	0	109.4	K219 D220 R221	N217-K219 VanDerWaalsContact C-N 3.31Å; N217-K219 PolarHBondContact O-N 3.24Å; N217-K219 WeakPolarHBondContact OD1-CB 3.32Å; N217-K219 PolarHBondContact OD1-N 2.7Å; N217-K219 VanDerWaalsContact OD1-N 3.1Å; N217-D220 PolarHBondContact O-N 3.44Å; N217-D220 VanDerWaalsContact O-N 3.12Å; N217-D220 PolarHBondContact OD1-N 3.27Å; N217-R221 PolarHBondContact O-N 3.35Å
218	S	92.3	Very high	87.2	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.5	-177.3	58.2	0	0	0	0	113.5	D220 R221 P247 E248 T261	S218-D220 VanDerWaalsContact C-N 3.27Å; S218-D220 PolarHBondContact O-N 2.99Å; S218-R221 WeakPolarHBondContact O-CB 3.21Å; S218-R221 PolarHBondContact O-N 2.84Å; S218-P247 WeakPolarHBondContact O-CG 3.48Å; S218-E248 WeakPolarHBondContact CB-OE1 3.32Å; S218-E248 PolarHBondContact OG-OE1 3.24Å; S218-E248 VanDerWaalsContact OG-OE1 3.12Å; S218-E248 PolarHBondContact OG-OE2 3.39Å; S218-T261 WeakPolarHBondContact O-CG2 3.49Å
219	K	91.2	Very high	88.1	Confident	115 Å²	115	55.9 Å²	55.9	50%	0.5	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.6	177.1	-62.7	-171.8	176.9	-168.7	0	113.8	N217 T261	N217-K219 VanDerWaalsContact C-N 3.31Å; N217-K219 PolarHBondContact O-N 3.24Å; N217-K219 WeakPolarHBondContact OD1-CB 3.32Å; N217-K219 PolarHBondContact OD1-N 2.7Å; N217-K219 VanDerWaalsContact OD1-N 3.1Å; K219-T261 WeakPolarHBondContact O-CB 3.46Å; K219-T261 WeakPolarHBondContact O-CG2 3.16Å
220	D	90.1	Very high	89	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.128	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-18.5	176.4	-167.5	36.3	0	0	0	112.1	K195 Y215 H216 N217 S218	K195-D220 VanDerWaalsContact CD-OD1 3.27Å; K195-D220 WeakPolarHBondContact CD-OD1 3.27Å; K195-D220 WeakPolarHBondContact CE-OD1 3.29Å; K195-D220 VanDerWaalsContact NZ-CG 3.25Å; K195-D220 IonicContact NZ-OD1 2.75Å; K195-D220 PolarHBondContact NZ-OD1 3.08Å; K195-D220 IonicContact NZ-OD2 3.56Å; K195-D220 PolarHBondContact NZ-OD2 2.88Å; Y215-D220 VanDerWaalsContact CA-OD2 3.26Å; Y215-D220 WeakPolarHBondContact CA-OD2 3.08Å; H216-D220 PolarHBondContact N-OD2 2.78Å; H216-D220 VanDerWaalsContact N-OD2 3.1Å; H216-D220 IonicContact ND1-OD2 3.38Å; H216-D220 PolarHBondContact ND1-OD2 3.15Å; N217-D220 PolarHBondContact O-N 3.44Å; N217-D220 VanDerWaalsContact O-N 3.12Å; N217-D220 PolarHBondContact OD1-N 3.27Å; S218-D220 VanDerWaalsContact C-N 3.27Å; S218-D220 PolarHBondContact O-N 2.99Å
221	R	93.8	Very high	89.8	Confident	49 Å²	49	57.7 Å²	57.7	19%	0.185	27%	0.273	C	S	.	.			trans	-67.3	141.8	-177.2	-172.1	177.3	70.5	108.1	2.7	111.5	Y215 N217 S218 D254 T261	Y215-R221 HydrophobicContact CD1-CB 4.04Å; Y215-R221 HydrophobicContact CD1-CG 3.66Å; Y215-R221 HydrophobicContact CD2-CB 3.83Å; Y215-R221 HydrophobicContact CD2-CG 4.17Å; Y215-R221 HydrophobicContact CE1-CB 4.37Å; Y215-R221 HydrophobicContact CE1-CG 3.66Å; Y215-R221 HydrophobicContact CE2-CB 4.2Å; Y215-R221 HydrophobicContact CE2-CG 4.18Å; Y215-R221 HydrophobicContact CG-CB 3.76Å; Y215-R221 HydrophobicContact CG-CG 3.93Å; N217-R221 PolarHBondContact O-N 3.35Å; S218-R221 WeakPolarHBondContact O-CB 3.21Å; S218-R221 PolarHBondContact O-N 2.84Å; R221-D254 IonicContact CZ-OD1 3.76Å; R221-D254 IonicContact CZ-OD2 2.73Å; R221-D254 IonicContact NH1-OD1 3.92Å; R221-D254 IonicContact NH1-OD2 3.72Å; R221-D254 PolarHBondContact NH1-OD2 2.85Å; R221-D254 IonicContact NH2-OD1 3.35Å; R221-D254 PolarHBondContact NH2-OD1 2.89Å; R221-D254 IonicContact NH2-OD2 3.88Å; R221-D254 PolarHBondContact NH2-OD2 2.95Å; R221-T261 WeakPolarHBondContact O-CG2 3.47Å; R221-T261 PolarHBondContact O-OG1 2.89Å
222	R	93.9	Very high	90.6	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	27%	0.272	C	S	.	.			trans	-118.7	122.9	169	166.4	161	-177.9	-86	6.2	109.1	L191 A192 Y194 K195 T196 S224 P225 Y230 T263 E264 F267	L191-R222 VanDerWaalsContact O-CZ 3.23Å; L191-R222 PolarHBondContact O-NH1 3.37Å; L191-R222 PolarHBondContact O-NH2 3.36Å; A192-R222 PolarHBondContact O-NH1 3.25Å; Y194-R222 WeakPolarHBondContact O-CD 3.02Å; K195-R222 HydrophobicContact CB-CB 4.13Å; K195-R222 PolarHBondContact O-N 3.07Å; T196-R222 WeakPolarHBondContact CA-O 3.24Å; T196-R222 HydrophobicContact CG2-CG 4.39Å; R222-S224 PolarHBondContact O-N 3.26Å; R222-P225 VanDerWaalsContact NH2-CG 3.34Å; R222-Y230 PolarHBondContact NE-OH 3.39Å; R222-T263 HydrophobicContact CB-CG2 3.94Å; R222-E264 HydrophobicContact CB-CG 4.08Å; R222-E264 HydrophobicContact CG-CG 3.93Å; R222-F267 PolarHBondContact NE-O 2.77Å; R222-F267 PolarHBondContact NH2-O 3.39Å
223	R	94.6	Very high	91.1	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.019	29%	0.293	C	S	.	.			trans	-62.3	134.3	169.5	-70	169.5	-65.8	162.3	0.7	108.9	V228 Y230 D254 C256 Y258 E264	R223-V228 HydrophobicContact CB-CB 4.32Å; R223-V228 HydrophobicContact CB-CG2 4.44Å; R223-Y230 HydrophobicContact CB-CE1 4.02Å; R223-Y230 WeakPolarHBondContact O-CE1 3.31Å; R223-Y230 PolarHBondContact O-OH 2.82Å; R223-D254 PolarHBondContact NH1-O 3.09Å; R223-C256 PolarHBondContact NH1-O 3.44Å; R223-Y258 PolarHBondContact NH2-O 3.43Å; R223-E264 VanDerWaalsContact CB-OE1 3.28Å; R223-E264 WeakPolarHBondContact CB-OE1 3.49Å; R223-E264 VanDerWaalsContact CG-OE1 3.31Å; R223-E264 WeakPolarHBondContact CG-OE1 3.47Å; R223-E264 IonicContact CZ-OE1 3.59Å; R223-E264 IonicContact CZ-OE2 3.96Å; R223-E264 PolarHBondContact N-OE1 3.47Å; R223-E264 IonicContact NE-OE1 3.76Å; R223-E264 PolarHBondContact NE-OE1 2.95Å; R223-E264 IonicContact NE-OE2 2.84Å; R223-E264 IonicContact NH2-OE1 3.35Å; R223-E264 IonicContact NH2-OE2 3.02Å; R223-E264 PolarHBondContact NH2-OE2 3.15Å
224	S	93.3	Very high	91.3	Very high	14 Å²	14	62.2 Å²	62.2	10%	0.098	30%	0.3	C	S	.	.			trans	-59.7	122.9	-179.7	176.8	0	0	0	0	109.5	R222 L226 E227 V228	R222-S224 PolarHBondContact O-N 3.26Å; S224-L226 PolarHBondContact O-N 3.27Å; S224-L226 WeakPolarHBondContact OG-CB 3.45Å; S224-L226 PolarHBondContact OG-N 2.85Å; S224-E227 PolarHBondContact O-N 3.42Å; S224-E227 VanDerWaalsContact O-N 3.08Å; S224-V228 PolarHBondContact O-N 3.12Å
225	P	89	Confident	91.6	Very high	29 Å²	29	60.1 Å²	60.1	19%	0.188	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15	175.5	32.7	-40.1	0	0	0	112.2	R222 P269	R222-P225 VanDerWaalsContact NH2-CG 3.34Å; P225-P269 HydrophobicContact CB-CG 3.61Å; P225-P269 HydrophobicContact CG-CG 4.21Å
226	L	89	Confident	91.8	Very high	113 Å²	113	62 Å²	62	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.6	174.6	-57.3	178.4	0	0	0	111.9	A192 Y193 S224	A192-L226 HydrophobicContact CB-CD1 4.2Å; Y193-L226 HydrophobicContact CE1-CD1 3.99Å; S224-L226 PolarHBondContact O-N 3.27Å; S224-L226 WeakPolarHBondContact OG-CB 3.45Å; S224-L226 PolarHBondContact OG-N 2.85Å
227	E	91.3	Very high	92.1	Very high	166 Å²	166	62.4 Å²	62.4	78%	0.776	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-40.7	-175.9	-62.2	179	166.5	0	0	112	S224	S224-E227 PolarHBondContact O-N 3.42Å; S224-E227 VanDerWaalsContact O-N 3.08Å
228	V	90.3	Very high	92.3	Very high	30 Å²	30	58.3 Å²	58.3	18%	0.182	30%	0.296	C	S	.	.			trans	-121.8	122.1	-174.3	-175.7	0	0	0	0	109.9	R223 S224 Y230 D254	R223-V228 HydrophobicContact CB-CB 4.32Å; R223-V228 HydrophobicContact CB-CG2 4.44Å; S224-V228 PolarHBondContact O-N 3.12Å; V228-Y230 HydrophobicContact CB-CD1 4.4Å; V228-Y230 HydrophobicContact CG1-CD1 4.15Å; V228-Y230 VanDerWaalsContact O-CD1 3.28Å; V228-Y230 WeakPolarHBondContact O-CD1 3.38Å; V228-D254 VanDerWaalsContact CG1-O 3.31Å; V228-D254 WeakPolarHBondContact CG1-O 3.41Å
229	K	91.2	Very high	92.3	Very high	197 Å²	197	59.1 Å²	59.1	86%	0.857	30%	0.295	S	S	*	.			trans	-86.1	114.3	171.5	-66.7	-174.6	-179.3	-179.7	0	110.1
230	Y	92.9	Very high	92.2	Very high	20 Å²	20	59.1 Å²	59.1	8%	0.078	30%	0.296	C	S	.	.			trans	-125.2	169	170.4	51	-86	0	0	0	110.1	R222 R223 V228 S257 E264 H268	R222-Y230 PolarHBondContact NE-OH 3.39Å; R223-Y230 HydrophobicContact CB-CE1 4.02Å; R223-Y230 WeakPolarHBondContact O-CE1 3.31Å; R223-Y230 PolarHBondContact O-OH 2.82Å; V228-Y230 HydrophobicContact CB-CD1 4.4Å; V228-Y230 HydrophobicContact CG1-CD1 4.15Å; V228-Y230 VanDerWaalsContact O-CD1 3.28Å; V228-Y230 WeakPolarHBondContact O-CD1 3.38Å; Y230-S257 CarbonylContact C-O 3.5Å; Y230-S257 WeakPolarHBondContact CA-O 3.39Å; Y230-E264 HydrophobicContact CE2-CB 3.8Å; Y230-E264 HydrophobicContact CE2-CG 4.07Å; Y230-H268 AromaticContact CD2-CD2 3.55Å; Y230-H268 AromaticContact CD2-NE2 3.78Å; Y230-H268 AromaticContact CE2-CD2 3.49Å; Y230-H268 VanDerWaalsContact CE2-CD2 3.49Å; Y230-H268 WeakPolarHBondContact CE2-CD2 3.09Å; Y230-H268 PolarHBondContact O-NE2 2.81Å
231	R	91.7	Very high	92.1	Very high	157 Å²	157	62.3 Å²	62.3	59%	0.592	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	155.9	174.9	-63.3	176.9	178.8	-102.2	2.7	109.5	T233 S257 C259	R231-T233 PolarHBondContact O-N 2.96Å; R231-S257 PolarHBondContact N-O 3.23Å; R231-C259 PolarHBondContact O-SG 3.15Å
232	S	90.2	Very high	91.6	Very high	23 Å²	23	66.8 Å²	66.8	16%	0.161	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-10.2	175.8	61.1	0	0	0	0	114.4	Q265 H268	S232-Q265 PolarHBondContact O-NE2 2.67Å; S232-H268 PolarHBondContact N-CE1 2.85Å; S232-H268 PolarHBondContact N-NE2 3.42Å
233	T	91.8	Very high	91.3	Very high	74 Å²	74	73.8 Å²	73.8	45%	0.454	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.2	179.9	-53.7	0	0	0	0	110	R231 Y258 C259	R231-T233 PolarHBondContact O-N 2.96Å; T233-Y258 HydrophobicContact CG2-CD1 4.17Å; T233-Y258 HydrophobicContact CG2-CE1 4.28Å; T233-Y258 WeakPolarHBondContact O-CB 3.12Å; T233-C259 PolarHBondContact O-N 3.18Å
234	P	93.3	Very high	91.1	Very high	26 Å²	26	75.1 Å²	75.1	17%	0.169	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	145.9	175.7	-23.8	35.8	0	0	0	112.9	K239 W244 Q265	P234-K239 HydrophobicContact CB-CB 3.78Å; P234-K239 HydrophobicContact CB-CD 3.44Å; P234-K239 VanDerWaalsContact CB-CD 3.44Å; P234-K239 HydrophobicContact CB-CG 4.25Å; P234-K239 HydrophobicContact CG-CD 3.58Å; P234-W244 HydrophobicContact CB-CH2 3.7Å; P234-W244 HydrophobicContact CB-CZ2 4.3Å; P234-W244 HydrophobicContact CB-CZ3 4.18Å; P234-W244 HydrophobicContact CG-CH2 3.94Å; P234-W244 HydrophobicContact CG-CZ2 4.19Å; P234-Q265 VanDerWaalsContact CD-NE2 3.34Å
235	C	95.7	Very high	91	Very high	3 Å²	3	76 Å²	76	2%	0.02	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-68.6	125	174	-179.8	0	0	0	0	109.5	S237 V238 K239 C250 C259 H260	C235-S237 PolarHBondContact O-N 3.31Å; C235-V238 HydrophobicContact CB-CB 4.17Å; C235-V238 HydrophobicContact CB-CG2 3.99Å; C235-V238 PolarHBondContact O-N 3.15Å; C235-K239 PolarHBondContact O-N 3.36Å; C235-C250 VanDerWaalsContact SG-SG 3.69Å; C235-C259 WeakPolarHBondContact CB-O 3.25Å; C235-C259 PolarHBondContact N-O 3.2Å; C235-H260 VanDerWaalsContact CB-CD2 3.45Å; C235-H260 WeakPolarHBondContact CB-CD2 3.32Å
236	P	94.2	Very high	91.1	Very high	90 Å²	90	76.7 Å²	76.7	58%	0.584	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.4	-178.8	26.5	-34.7	0	0	0	113.2	H240	P236-H240 PolarHBondContact O-CE1 3.12Å; P236-H240 VanDerWaalsContact O-CE1 3.27Å; P236-H240 PolarHBondContact O-ND1 2.94Å
237	S	94.2	Very high	91.3	Very high	55 Å²	55	71.6 Å²	71.6	39%	0.385	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.7	173.4	-50.8	0	0	0	0	112.9	C235 H240 S249	C235-S237 PolarHBondContact O-N 3.31Å; S237-H240 PolarHBondContact O-NE2 2.71Å; S237-S249 PolarHBondContact O-OG 2.88Å
238	V	93.6	Very high	91.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-25.9	-174.7	-170.5	0	0	0	0	112.3	C235 W244 S245 C250 H260	C235-V238 HydrophobicContact CB-CB 4.17Å; C235-V238 HydrophobicContact CB-CG2 3.99Å; C235-V238 PolarHBondContact O-N 3.15Å; V238-W244 HydrophobicContact CG1-CE3 4.41Å; V238-S245 VanDerWaalsContact CA-OG 3.29Å; V238-S245 WeakPolarHBondContact CA-OG 3.31Å; V238-S245 WeakPolarHBondContact O-CB 3.4Å; V238-S245 PolarHBondContact O-N 3.21Å; V238-S245 PolarHBondContact O-OG 3.18Å; V238-C250 HydrophobicContact CG2-CB 3.75Å; V238-H260 WeakPolarHBondContact CG1-O 3.33Å
239	K	93.2	Very high	91.4	Very high	50 Å²	50	70.7 Å²	70.7	22%	0.217	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.7	179.3	-165.8	-172.7	-178.6	-172.5	0	110.8	P234 C235 A241 E243 W244	P234-K239 HydrophobicContact CB-CB 3.78Å; P234-K239 HydrophobicContact CB-CD 3.44Å; P234-K239 VanDerWaalsContact CB-CD 3.44Å; P234-K239 HydrophobicContact CB-CG 4.25Å; P234-K239 HydrophobicContact CG-CD 3.58Å; C235-K239 PolarHBondContact O-N 3.36Å; K239-A241 VanDerWaalsContact CE-O 3.29Å; K239-A241 WeakPolarHBondContact CE-O 3.37Å; K239-E243 WeakPolarHBondContact CA-O 3.33Å; K239-E243 WeakPolarHBondContact CG-O 3.47Å; K239-W244 HydrophobicContact CB-CD2 4.33Å; K239-W244 HydrophobicContact CB-CE3 4.12Å; K239-W244 HydrophobicContact CB-CZ3 4.26Å; K239-W244 HydrophobicContact CD-CD2 4.24Å; K239-W244 HydrophobicContact CD-CH2 4.17Å; K239-W244 HydrophobicContact CD-CZ2 3.75Å; K239-W244 HydrophobicContact CG-CD2 4.11Å; K239-W244 HydrophobicContact CG-CE3 4.4Å; K239-W244 HydrophobicContact CG-CG 4.46Å; K239-W244 HydrophobicContact CG-CZ2 4.48Å
240	H	89.3	Confident	91.6	Very high	115 Å²	115	61.7 Å²	61.7	53%	0.532	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.5	175.1	-56.5	-61.4	0	0	0	109	P236 S237 D242 E243	P236-H240 PolarHBondContact O-CE1 3.12Å; P236-H240 VanDerWaalsContact O-CE1 3.27Å; P236-H240 PolarHBondContact O-ND1 2.94Å; S237-H240 PolarHBondContact O-NE2 2.71Å; H240-D242 PolarHBondContact O-N 2.96Å; H240-E243 PolarHBondContact N-O 3.23Å; H240-E243 PolarHBondContact O-N 3.48Å
241	A	86.8	Confident	91.7	Very high	92 Å²	92	70.5 Å²	70.5	76%	0.76	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	-110.3	-171	0	0	0	0	0	111.9	K239	K239-A241 VanDerWaalsContact CE-O 3.29Å; K239-A241 WeakPolarHBondContact CE-O 3.37Å
242	D	83.7	Confident	91.8	Very high	143 Å²	143	66.5 Å²	66.5	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.4	-178.9	-69.4	-39.7	0	0	0	114	H240	H240-D242 PolarHBondContact O-N 2.96Å
243	E	88.3	Confident	91.9	Very high	147 Å²	147	66.7 Å²	66.7	69%	0.687	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.9	-175.5	-167.2	169	-174.7	0	0	112.1	K239 H240	K239-E243 WeakPolarHBondContact CA-O 3.33Å; K239-E243 WeakPolarHBondContact CG-O 3.47Å; H240-E243 PolarHBondContact N-O 3.23Å; H240-E243 PolarHBondContact O-N 3.48Å
244	W	90.3	Very high	92	Very high	33 Å²	33	66.5 Å²	66.5	13%	0.125	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.6	173.8	-68.7	84.7	0	0	0	109.5	P234 V238 K239 C259 T261 R262 Q265	P234-W244 HydrophobicContact CB-CH2 3.7Å; P234-W244 HydrophobicContact CB-CZ2 4.3Å; P234-W244 HydrophobicContact CB-CZ3 4.18Å; P234-W244 HydrophobicContact CG-CH2 3.94Å; P234-W244 HydrophobicContact CG-CZ2 4.19Å; V238-W244 HydrophobicContact CG1-CE3 4.41Å; K239-W244 HydrophobicContact CB-CD2 4.33Å; K239-W244 HydrophobicContact CB-CE3 4.12Å; K239-W244 HydrophobicContact CB-CZ3 4.26Å; K239-W244 HydrophobicContact CD-CD2 4.24Å; K239-W244 HydrophobicContact CD-CH2 4.17Å; K239-W244 HydrophobicContact CD-CZ2 3.75Å; K239-W244 HydrophobicContact CG-CD2 4.11Å; K239-W244 HydrophobicContact CG-CE3 4.4Å; K239-W244 HydrophobicContact CG-CG 4.46Å; K239-W244 HydrophobicContact CG-CZ2 4.48Å; W244-C259 HydrophobicContact CH2-CB 4.21Å; W244-T261 WeakPolarHBondContact CH2-O 3.42Å; W244-R262 HydrophobicContact CD2-CB 4.47Å; W244-R262 HydrophobicContact CZ2-CB 4.29Å; W244-Q265 HydrophobicContact CH2-CB 4.21Å; W244-Q265 HydrophobicContact CZ2-CB 4.21Å
245	S	90.8	Very high	92	Very high	32 Å²	32	73.1 Å²	73.1	22%	0.224	41%	0.41	C	S	.	.			trans	-81.1	-170.5	171.3	79.6	0	0	0	0	110.7	V238 S249	V238-S245 VanDerWaalsContact CA-OG 3.29Å; V238-S245 WeakPolarHBondContact CA-OG 3.31Å; V238-S245 WeakPolarHBondContact O-CB 3.4Å; V238-S245 PolarHBondContact O-N 3.21Å; V238-S245 PolarHBondContact O-OG 3.18Å; S245-S249 PolarHBondContact OG-OG 3.36Å; S245-S249 VanDerWaalsContact OG-OG 3.12Å
246	S	91.7	Very high	92	Very high	45 Å²	45	73.3 Å²	73.3	32%	0.315	41%	0.411	S	S	.	.			trans	-75	134.9	178.5	-138.8	0	0	0	0	110.4	E248 S249	S246-E248 WeakPolarHBondContact CB-OE2 3.27Å; S246-E248 PolarHBondContact O-N 2.88Å; S246-E248 PolarHBondContact OG-OE2 3.1Å; S246-S249 VanDerWaalsContact O-CB 3.31Å; S246-S249 WeakPolarHBondContact O-CB 3.4Å; S246-S249 PolarHBondContact O-N 2.99Å; S246-S249 PolarHBondContact O-OG 2.78Å
247	P	92.1	Very high	92	Very high	6 Å²	6	71.6 Å²	71.6	4%	0.039	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-51.8	-29.5	174.1	-31.1	38.5	0	0	0	114.5	S218 S249 C250 H260 T261	S218-P247 WeakPolarHBondContact O-CG 3.48Å; P247-S249 PolarHBondContact O-N 3.1Å; P247-C250 PolarHBondContact O-N 3.32Å; P247-H260 HydrophobicContact CB-CB 3.88Å; P247-H260 HydrophobicContact CG-CB 4.17Å; P247-T261 HydrophobicContact CG-CG2 3.89Å
248	E	92.6	Very high	92	Very high	120 Å²	120	73.1 Å²	73.1	56%	0.561	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.7	178.4	-60.3	76.9	-166.3	0	0	113.5	S218 S246 C250	S218-E248 WeakPolarHBondContact CB-OE1 3.32Å; S218-E248 PolarHBondContact OG-OE1 3.24Å; S218-E248 VanDerWaalsContact OG-OE1 3.12Å; S218-E248 PolarHBondContact OG-OE2 3.39Å; S246-E248 WeakPolarHBondContact CB-OE2 3.27Å; S246-E248 PolarHBondContact O-N 2.88Å; S246-E248 PolarHBondContact OG-OE2 3.1Å; E248-C250 PolarHBondContact O-N 2.77Å
249	S	91.7	Very high	92.1	Very high	56 Å²	56	73.1 Å²	73.1	39%	0.392	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-70.7	-16.6	173.8	61.3	0	0	0	0	113.5	S237 S245 S246 P247	S237-S249 PolarHBondContact O-OG 2.88Å; S245-S249 PolarHBondContact OG-OG 3.36Å; S245-S249 VanDerWaalsContact OG-OG 3.12Å; S246-S249 VanDerWaalsContact O-CB 3.31Å; S246-S249 WeakPolarHBondContact O-CB 3.4Å; S246-S249 PolarHBondContact O-N 2.99Å; S246-S249 PolarHBondContact O-OG 2.78Å; P247-S249 PolarHBondContact O-N 3.1Å
250	C	94.6	Very high	92.1	Very high	9 Å²	9	70.9 Å²	70.9	6%	0.061	39%	0.389	C	S	.	.			trans	-86.9	118.6	174.4	-175.2	0	0	0	0	110.8	C235 V238 P247 E248 S252 G253 H260	C235-C250 VanDerWaalsContact SG-SG 3.69Å; V238-C250 HydrophobicContact CG2-CB 3.75Å; P247-C250 PolarHBondContact O-N 3.32Å; E248-C250 PolarHBondContact O-N 2.77Å; C250-S252 PolarHBondContact O-N 2.98Å; C250-G253 PolarHBondContact O-N 2.71Å; C250-H260 VanDerWaalsContact CB-CE1 3.43Å; C250-H260 WeakPolarHBondContact CB-CE1 3.2Å; C250-H260 WeakPolarHBondContact CB-NE2 3.32Å; C250-H260 PolarHBondContact SG-NE2 3.31Å; C250-H260 VanDerWaalsContact SG-NE2 3.44Å
251	E	95.1	Very high	92.3	Very high	204 Å²	204	65.6 Å²	65.6	95%	0.953	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.9	177.3	-62.2	179.5	177.3	0	0	113.3	G253	E251-G253 PolarHBondContact O-N 2.66Å
252	S	93.7	Very high	92.5	Very high	73 Å²	73	67.3 Å²	67.3	51%	0.51	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.2	176	-55.4	0	0	0	0	113.7	C250 D254 M255 C256	C250-S252 PolarHBondContact O-N 2.98Å; S252-D254 PolarHBondContact O-N 3.26Å; S252-M255 WeakPolarHBondContact O-CB 3.27Å; S252-M255 PolarHBondContact O-N 3.13Å; S252-M255 VanDerWaalsContact O-N 3.09Å; S252-C256 PolarHBondContact O-N 3.48Å
253	G	93.7	Very high	92.7	Very high	27 Å²	27	61 Å²	61	28%	0.278	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	49.9	-137.6	179.3	0	0	0	0	0	112.6	C250 E251 M255 C256 H260	C250-G253 PolarHBondContact O-N 2.71Å; E251-G253 PolarHBondContact O-N 2.66Å; G253-M255 PolarHBondContact O-N 2.76Å; G253-C256 WeakPolarHBondContact O-CB 3.36Å; G253-C256 PolarHBondContact O-N 2.93Å; G253-H260 PolarHBondContact O-CE1 3.3Å
254	D	93.3	Very high	92.9	Very high	71 Å²	71	54 Å²	54	38%	0.38	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-68.4	-16.5	-178.6	-78.3	6.6	0	0	0	113.9	R221 R223 V228 S252 C256	R221-D254 IonicContact CZ-OD1 3.76Å; R221-D254 IonicContact CZ-OD2 2.73Å; R221-D254 IonicContact NH1-OD1 3.92Å; R221-D254 IonicContact NH1-OD2 3.72Å; R221-D254 PolarHBondContact NH1-OD2 2.85Å; R221-D254 IonicContact NH2-OD1 3.35Å; R221-D254 PolarHBondContact NH2-OD1 2.89Å; R221-D254 IonicContact NH2-OD2 3.88Å; R221-D254 PolarHBondContact NH2-OD2 2.95Å; R223-D254 PolarHBondContact NH1-O 3.09Å; V228-D254 VanDerWaalsContact CG1-O 3.31Å; V228-D254 WeakPolarHBondContact CG1-O 3.41Å; S252-D254 PolarHBondContact O-N 3.26Å; D254-C256 VanDerWaalsContact C-N 3.25Å; D254-C256 PolarHBondContact O-N 3.27Å
255	M	93.5	Very high	92.9	Very high	165 Å²	165	54.1 Å²	54.1	81%	0.813	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-81.1	-2.7	177.1	-58.6	-57.7	-67.7	0	0	113.3	S252 G253 S257	S252-M255 WeakPolarHBondContact O-CB 3.27Å; S252-M255 PolarHBondContact O-N 3.13Å; S252-M255 VanDerWaalsContact O-N 3.09Å; G253-M255 PolarHBondContact O-N 2.76Å; M255-S257 PolarHBondContact O-N 3.37Å
256	C	95.1	Very high	92.6	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.041	28%	0.284	C	S	.	.			trans	-60.6	131.7	177.1	-174.6	0	0	0	0	111.6	R223 S252 G253 D254 Y258 H260	R223-C256 PolarHBondContact NH1-O 3.44Å; S252-C256 PolarHBondContact O-N 3.48Å; G253-C256 WeakPolarHBondContact O-CB 3.36Å; G253-C256 PolarHBondContact O-N 2.93Å; D254-C256 VanDerWaalsContact C-N 3.25Å; D254-C256 PolarHBondContact O-N 3.27Å; C256-Y258 PolarHBondContact O-N 3.29Å; C256-H260 WeakPolarHBondContact CB-CE1 3.26Å; C256-H260 WeakPolarHBondContact CB-NE2 3.38Å; C256-H260 PolarHBondContact SG-NE2 3.19Å
257	S	94.6	Very high	92.3	Very high	55 Å²	55	52.1 Å²	52.1	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-79.6	8.7	179.6	59.6	0	0	0	0	114.5	Y230 R231 M255	Y230-S257 CarbonylContact C-O 3.5Å; Y230-S257 WeakPolarHBondContact CA-O 3.39Å; R231-S257 PolarHBondContact N-O 3.23Å; M255-S257 PolarHBondContact O-N 3.37Å
258	Y	94.4	Very high	91.9	Very high	87 Å²	87	52.6 Å²	52.6	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.8	-177.9	-64.3	-80.1	0	0	0	111.4	R223 T233 C256	R223-Y258 PolarHBondContact NH2-O 3.43Å; T233-Y258 HydrophobicContact CG2-CD1 4.17Å; T233-Y258 HydrophobicContact CG2-CE1 4.28Å; T233-Y258 WeakPolarHBondContact O-CB 3.12Å; C256-Y258 PolarHBondContact O-N 3.29Å
259	C	94.4	Very high	91.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.6	177.5	-64.5	0	0	0	0	112.5	R231 T233 C235 W244 E264 Q265	R231-C259 PolarHBondContact O-SG 3.15Å; T233-C259 PolarHBondContact O-N 3.18Å; C235-C259 WeakPolarHBondContact CB-O 3.25Å; C235-C259 PolarHBondContact N-O 3.2Å; W244-C259 HydrophobicContact CH2-CB 4.21Å; C259-E264 VanDerWaalsContact CA-OE2 3.29Å; C259-E264 WeakPolarHBondContact CA-OE2 3.46Å; C259-E264 HydrophobicContact CB-CB 3.84Å; C259-Q265 HydrophobicContact CB-CB 4.25Å
260	H	95.1	Very high	90.6	Very high	2 Å²	2	52 Å²	52	1%	0.009	27%	0.268	C	S	.	.			trans	-102.3	-14.8	176.3	-75.2	-174.9	0	0	0	113.5	C235 V238 P247 C250 G253 C256 E264	C235-H260 VanDerWaalsContact CB-CD2 3.45Å; C235-H260 WeakPolarHBondContact CB-CD2 3.32Å; V238-H260 WeakPolarHBondContact CG1-O 3.33Å; P247-H260 HydrophobicContact CB-CB 3.88Å; P247-H260 HydrophobicContact CG-CB 4.17Å; C250-H260 VanDerWaalsContact CB-CE1 3.43Å; C250-H260 WeakPolarHBondContact CB-CE1 3.2Å; C250-H260 WeakPolarHBondContact CB-NE2 3.32Å; C250-H260 PolarHBondContact SG-NE2 3.31Å; C250-H260 VanDerWaalsContact SG-NE2 3.44Å; G253-H260 PolarHBondContact O-CE1 3.3Å; C256-H260 WeakPolarHBondContact CB-CE1 3.26Å; C256-H260 WeakPolarHBondContact CB-NE2 3.38Å; C256-H260 PolarHBondContact SG-NE2 3.19Å; H260-E264 PolarHBondContact N-OE2 3.07Å
261	T	93.2	Very high	88.6	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.025	30%	0.3	C	S	.	.	S	Bend	trans	-133.4	158	176.7	68	0	0	0	0	111.8	S218 K219 R221 W244 P247 T263 E264 Q265	S218-T261 WeakPolarHBondContact O-CG2 3.49Å; K219-T261 WeakPolarHBondContact O-CB 3.46Å; K219-T261 WeakPolarHBondContact O-CG2 3.16Å; R221-T261 WeakPolarHBondContact O-CG2 3.47Å; R221-T261 PolarHBondContact O-OG1 2.89Å; W244-T261 WeakPolarHBondContact CH2-O 3.42Å; P247-T261 HydrophobicContact CG-CG2 3.89Å; T261-T263 PolarHBondContact O-N 2.84Å; T261-E264 PolarHBondContact O-N 2.89Å; T261-E264 WeakPolarHBondContact OG1-CG 3.34Å; T261-E264 PolarHBondContact OG1-N 3.27Å; T261-E264 VanDerWaalsContact OG1-N 3.15Å; T261-Q265 PolarHBondContact O-N 3.37Å
262	R	90	Very high	86.6	Confident	129 Å²	129	49.9 Å²	49.9	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-54.9	-39.3	170.2	-175.1	-176.2	-68.8	-138.8	-2.7	110.8	W244 Q265 Q266	W244-R262 HydrophobicContact CD2-CB 4.47Å; W244-R262 HydrophobicContact CZ2-CB 4.29Å; R262-Q265 PolarHBondContact O-N 3.12Å; R262-Q266 HydrophobicContact CG-CG 4.19Å; R262-Q266 WeakPolarHBondContact O-CB 3.37Å; R262-Q266 VanDerWaalsContact O-CG 3.32Å; R262-Q266 WeakPolarHBondContact O-CG 3.48Å; R262-Q266 PolarHBondContact O-N 3.08Å
263	T	89.2	Confident	84.4	Confident	10 Å²	10	47.8 Å²	47.8	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-47.9	177.4	-53.1	0	0	0	0	111.7	Y194 K195 R222 T261 Q265 Q266 F267	Y194-T263 HydrophobicContact CD1-CG2 4.15Å; Y194-T263 HydrophobicContact CE1-CG2 4.19Å; K195-T263 HydrophobicContact CB-CG2 3.96Å; K195-T263 HydrophobicContact CD-CG2 3.55Å; K195-T263 HydrophobicContact CG-CG2 4.29Å; R222-T263 HydrophobicContact CB-CG2 3.94Å; T261-T263 PolarHBondContact O-N 2.84Å; T263-Q265 VanDerWaalsContact C-N 3.3Å; T263-Q265 PolarHBondContact O-N 3.34Å; T263-Q266 PolarHBondContact O-N 2.91Å; T263-F267 HydrophobicContact CG2-CD2 3.97Å; T263-F267 HydrophobicContact CG2-CE2 4.4Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 WeakPolarHBondContact O-CD2 2.88Å; T263-F267 PolarHBondContact O-N 3.42Å
264	E	92.4	Very high	82.4	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176	-76.4	-176.1	173.1	0	0	112.2	R222 R223 Y230 C259 H260 T261 H268	R222-E264 HydrophobicContact CB-CG 4.08Å; R222-E264 HydrophobicContact CG-CG 3.93Å; R223-E264 VanDerWaalsContact CB-OE1 3.28Å; R223-E264 WeakPolarHBondContact CB-OE1 3.49Å; R223-E264 VanDerWaalsContact CG-OE1 3.31Å; R223-E264 WeakPolarHBondContact CG-OE1 3.47Å; R223-E264 IonicContact CZ-OE1 3.59Å; R223-E264 IonicContact CZ-OE2 3.96Å; R223-E264 PolarHBondContact N-OE1 3.47Å; R223-E264 IonicContact NE-OE1 3.76Å; R223-E264 PolarHBondContact NE-OE1 2.95Å; R223-E264 IonicContact NE-OE2 2.84Å; R223-E264 IonicContact NH2-OE1 3.35Å; R223-E264 IonicContact NH2-OE2 3.02Å; R223-E264 PolarHBondContact NH2-OE2 3.15Å; Y230-E264 HydrophobicContact CE2-CB 3.8Å; Y230-E264 HydrophobicContact CE2-CG 4.07Å; C259-E264 VanDerWaalsContact CA-OE2 3.29Å; C259-E264 WeakPolarHBondContact CA-OE2 3.46Å; C259-E264 HydrophobicContact CB-CB 3.84Å; H260-E264 PolarHBondContact N-OE2 3.07Å; T261-E264 PolarHBondContact O-N 2.89Å; T261-E264 WeakPolarHBondContact OG1-CG 3.34Å; T261-E264 PolarHBondContact OG1-N 3.27Å; T261-E264 VanDerWaalsContact OG1-N 3.15Å; E264-H268 WeakPolarHBondContact O-CB 3.43Å; E264-H268 PolarHBondContact O-N 3.12Å; E264-H268 VanDerWaalsContact O-N 3.13Å
265	Q	88.9	Confident	80.5	Confident	34 Å²	34	56.2 Å²	56.2	16%	0.159	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-43.7	178	175.8	169.5	55.6	0	0	112	S232 P234 W244 C259 T261 R262 T263	S232-Q265 PolarHBondContact O-NE2 2.67Å; P234-Q265 VanDerWaalsContact CD-NE2 3.34Å; W244-Q265 HydrophobicContact CH2-CB 4.21Å; W244-Q265 HydrophobicContact CZ2-CB 4.21Å; C259-Q265 HydrophobicContact CB-CB 4.25Å; T261-Q265 PolarHBondContact O-N 3.37Å; R262-Q265 PolarHBondContact O-N 3.12Å; T263-Q265 VanDerWaalsContact C-N 3.3Å; T263-Q265 PolarHBondContact O-N 3.34Å
266	Q	84.5	Confident	78.4	Confident	34 Å²	34	50.7 Å²	50.7	16%	0.159	26%	0.256	C	S	.	.	H	α-helix	trans	-71.1	-34.2	-176.8	-77.9	-179.4	-46.6	0	0	113.3	R262 T263 W276 T279	R262-Q266 HydrophobicContact CG-CG 4.19Å; R262-Q266 WeakPolarHBondContact O-CB 3.37Å; R262-Q266 VanDerWaalsContact O-CG 3.32Å; R262-Q266 WeakPolarHBondContact O-CG 3.48Å; R262-Q266 PolarHBondContact O-N 3.08Å; T263-Q266 PolarHBondContact O-N 2.91Å; Q266-W276 WeakPolarHBondContact O-CA 3.37Å; Q266-T279 HydrophobicContact CB-CG2 3.68Å; Q266-T279 HydrophobicContact CG-CG2 4.12Å
267	F	85.1	Confident	76.2	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	22.9	-178.6	-73.6	-91.6	0	0	0	112.9	V190 L191 Y194 R222 T263 T279 L280 I283	V190-F267 HydrophobicContact CG1-CD1 4.2Å; V190-F267 HydrophobicContact CG1-CE1 3.61Å; L191-F267 HydrophobicContact CD2-CD1 4.49Å; Y194-F267 HydrophobicContact CD1-CD1 4.09Å; Y194-F267 AromaticContact CD1-CD2 3.81Å; Y194-F267 HydrophobicContact CD1-CD2 3.81Å; Y194-F267 AromaticContact CD1-CE1 3.67Å; Y194-F267 HydrophobicContact CD1-CE1 3.67Å; Y194-F267 AromaticContact CD1-CE2 3.36Å; Y194-F267 HydrophobicContact CD1-CE2 3.36Å; Y194-F267 HydrophobicContact CD1-CG 4.1Å; Y194-F267 AromaticContact CD1-CZ 3.2Å; Y194-F267 HydrophobicContact CD1-CZ 3.2Å; Y194-F267 HydrophobicContact CD2-CZ 4.36Å; Y194-F267 HydrophobicContact CE1-CD2 4.03Å; Y194-F267 HydrophobicContact CE1-CE1 4.12Å; Y194-F267 AromaticContact CE1-CE2 3.2Å; Y194-F267 HydrophobicContact CE1-CE2 3.2Å; Y194-F267 AromaticContact CE1-CZ 3.19Å; Y194-F267 HydrophobicContact CE1-CZ 3.19Å; Y194-F267 HydrophobicContact CE2-CZ 4.36Å; Y194-F267 HydrophobicContact CG-CD1 4.44Å; Y194-F267 AromaticContact CG-CE1 3.92Å; Y194-F267 HydrophobicContact CG-CE1 3.92Å; Y194-F267 HydrophobicContact CG-CE2 4.38Å; Y194-F267 AromaticContact CG-CZ 3.81Å; Y194-F267 HydrophobicContact CG-CZ 3.81Å; Y194-F267 AromaticContact CZ-CZ 3.8Å; R222-F267 PolarHBondContact NE-O 2.77Å; R222-F267 PolarHBondContact NH2-O 3.39Å; T263-F267 HydrophobicContact CG2-CD2 3.97Å; T263-F267 HydrophobicContact CG2-CE2 4.4Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 WeakPolarHBondContact O-CD2 2.88Å; T263-F267 PolarHBondContact O-N 3.42Å; F267-T279 HydrophobicContact CD2-CG2 4.36Å; F267-T279 HydrophobicContact CE2-CG2 3.91Å; F267-T279 HydrophobicContact CZ-CG2 4.32Å; F267-L280 HydrophobicContact CD1-CD2 4.35Å; F267-L280 HydrophobicContact CE1-CD2 3.89Å; F267-I283 HydrophobicContact CE1-CD1 4.19Å; F267-I283 HydrophobicContact CE2-CD1 3.38Å; F267-I283 HydrophobicContact CZ-CD1 3.07Å; F267-I283 HydrophobicContact CZ-CG1 4.34Å; F267-I283 HydrophobicContact CZ-CG2 4.46Å
268	H	85.3	Confident	74.1	Confident	17 Å²	17	59 Å²	59	8%	0.079	29%	0.286	C	S	.	.			trans	-65.9	135.1	177.8	-164.1	-95.7	0	0	0	110.6	Y230 S232 E264 E270	Y230-H268 AromaticContact CD2-CD2 3.55Å; Y230-H268 AromaticContact CD2-NE2 3.78Å; Y230-H268 AromaticContact CE2-CD2 3.49Å; Y230-H268 VanDerWaalsContact CE2-CD2 3.49Å; Y230-H268 WeakPolarHBondContact CE2-CD2 3.09Å; Y230-H268 PolarHBondContact O-NE2 2.81Å; S232-H268 PolarHBondContact N-CE1 2.85Å; S232-H268 PolarHBondContact N-NE2 3.42Å; E264-H268 WeakPolarHBondContact O-CB 3.43Å; E264-H268 PolarHBondContact O-N 3.12Å; E264-H268 VanDerWaalsContact O-N 3.13Å; H268-E270 VanDerWaalsContact CE1-CB 3.43Å; H268-E270 WeakPolarHBondContact CE1-CB 3.49Å; H268-E270 IonicContact CE1-OE2 2.81Å; H268-E270 WeakPolarHBondContact ND1-CB 3.29Å; H268-E270 PolarHBondContact ND1-N 2.86Å; H268-E270 IonicContact ND1-OE2 2.66Å; H268-E270 PolarHBondContact O-N 2.99Å
269	P	81.8	Confident	72.1	Confident	70 Å²	70	55.1 Å²	55.1	46%	0.455	27%	0.272	S	S	.	.			trans	-66.1	-20.2	179.7	-21.5	32.1	0	0	0	114.6	P225	P225-P269 HydrophobicContact CB-CG 3.61Å; P225-P269 HydrophobicContact CG-CG 4.21Å
270	E	74.3	Confident	70.1	Confident	92 Å²	92	55.5 Å²	55.5	43%	0.43	27%	0.274	S	S	.	.	S	Bend	trans	-62.5	131.4	-173.7	-170.6	171.2	-170.2	0	0	112.2	H268 S272	H268-E270 VanDerWaalsContact CE1-CB 3.43Å; H268-E270 WeakPolarHBondContact CE1-CB 3.49Å; H268-E270 IonicContact CE1-OE2 2.81Å; H268-E270 WeakPolarHBondContact ND1-CB 3.29Å; H268-E270 PolarHBondContact ND1-N 2.86Å; H268-E270 IonicContact ND1-OE2 2.66Å; H268-E270 PolarHBondContact O-N 2.99Å; E270-S272 PolarHBondContact O-N 3.24Å
271	P	53.7	Low	68	Low	113 Å²	113	57.3 Å²	57.3	73%	0.734	29%	0.287	S	S	*	.			trans	-67	19.1	-175.6	-21.5	32.8	0	0	0	116.5	G273	P271-G273 PolarHBondContact O-N 3.37Å
272	S	52.6	Low	65.8	Low	57 Å²	57	59.6 Å²	59.6	40%	0.399	30%	0.298	S	S	.	.			trans	-70.3	34	175.5	62.1	0	0	0	0	113.2	E270 K274	E270-S272 PolarHBondContact O-N 3.24Å; S272-K274 PolarHBondContact O-N 3.12Å
273	G	47.8	Very low	64	Low	28 Å²	28	53.8 Å²	53.8	29%	0.289	28%	0.277	S	S	.	.	S	Bend	trans	56.9	-17.5	140.3	0	0	0	0	0	120.5	P271	P271-G273 PolarHBondContact O-N 3.37Å
274	K	51	Low	62.1	Low	147 Å²	147	55.2 Å²	55.2	64%	0.639	28%	0.283	S	S	*	.	S	Bend	trans	-103.8	-33.4	-167.1	-67.4	-178.1	-179.8	179.7	0	111.8	S272	S272-K274 PolarHBondContact O-N 3.12Å
275	Y	53	Low	59.9	Low	128 Å²	128	57.6 Å²	57.6	50%	0.502	29%	0.294	S	S	.	.	S	Bend	trans	-103	-44.4	-170.3	-62.2	-74.8	0	0	0	113.5	T279	Y275-T279 VanDerWaalsContact O-CB 3.31Å; Y275-T279 WeakPolarHBondContact O-CB 3.22Å; Y275-T279 PolarHBondContact O-N 2.79Å; Y275-T279 PolarHBondContact O-OG1 2.7Å
276	W	49.2	Very low	57.9	Low	49 Å²	49	59.4 Å²	59.4	19%	0.186	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-43	-176	69.6	-102.9	0	0	0	112.2	Q187 Q266 F278 T279 L280	Q187-W276 VanDerWaalsContact NE2-CZ3 3.28Å; Q266-W276 WeakPolarHBondContact O-CA 3.37Å; W276-F278 VanDerWaalsContact C-N 3.35Å; W276-F278 PolarHBondContact O-N 2.71Å; W276-T279 PolarHBondContact O-N 2.77Å; W276-L280 HydrophobicContact CE3-CD1 3.76Å; W276-L280 HydrophobicContact CZ3-CD1 4.1Å; W276-L280 WeakPolarHBondContact O-CB 3.29Å; W276-L280 WeakPolarHBondContact O-CG 3.4Å; W276-L280 PolarHBondContact O-N 2.81Å
277	H	50.2	Low	56.1	Low	92 Å²	92	58.1 Å²	58.1	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-41.5	179	-100.2	-59.9	0	0	0	112	C281	H277-C281 WeakPolarHBondContact O-CB 3.28Å; H277-C281 PolarHBondContact O-N 3.35Å; H277-C281 VanDerWaalsContact O-N 3.13Å
278	F	50.5	Low	54.2	Low	143 Å²	143	58.6 Å²	58.6	63%	0.627	30%	0.299	S	S	*	.	H	α-helix	trans	-68.1	-38.4	176.8	-170.3	-95.5	0	0	0	111.7	W276 N282	W276-F278 VanDerWaalsContact C-N 3.35Å; W276-F278 PolarHBondContact O-N 2.71Å; F278-N282 WeakPolarHBondContact CE1-ND2 3.22Å; F278-N282 PolarHBondContact O-N 3.06Å; F278-N282 PolarHBondContact O-ND2 3.04Å
279	T	51.9	Low	52.3	Low	6 Å²	6	63.9 Å²	63.9	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-76.6	-41.7	-177.4	-50.3	0	0	0	0	111.8	Q266 F267 Y275 W276 C281 N282 I283	Q266-T279 HydrophobicContact CB-CG2 3.68Å; Q266-T279 HydrophobicContact CG-CG2 4.12Å; F267-T279 HydrophobicContact CD2-CG2 4.36Å; F267-T279 HydrophobicContact CE2-CG2 3.91Å; F267-T279 HydrophobicContact CZ-CG2 4.32Å; Y275-T279 VanDerWaalsContact O-CB 3.31Å; Y275-T279 WeakPolarHBondContact O-CB 3.22Å; Y275-T279 PolarHBondContact O-N 2.79Å; Y275-T279 PolarHBondContact O-OG1 2.7Å; W276-T279 PolarHBondContact O-N 2.77Å; T279-C281 VanDerWaalsContact C-N 3.34Å; T279-C281 PolarHBondContact O-N 2.5Å; T279-N282 PolarHBondContact O-N 3.38Å; T279-I283 HydrophobicContact CG2-CD1 3.61Å; T279-I283 HydrophobicContact CG2-CG1 4.46Å; T279-I283 WeakPolarHBondContact O-CG1 3.31Å; T279-I283 PolarHBondContact O-N 3.05Å
280	L	52.7	Low	50.2	Low	9 Å²	9	62.8 Å²	62.8	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-39.8	173.2	-70.8	-178.2	0	0	0	111.5	Q187 V190 F267 W276 N282 I283 F284	Q187-L280 HydrophobicContact CG-CD1 3.76Å; V190-L280 HydrophobicContact CG1-CD2 3.75Å; F267-L280 HydrophobicContact CD1-CD2 4.35Å; F267-L280 HydrophobicContact CE1-CD2 3.89Å; W276-L280 HydrophobicContact CE3-CD1 3.76Å; W276-L280 HydrophobicContact CZ3-CD1 4.1Å; W276-L280 WeakPolarHBondContact O-CB 3.29Å; W276-L280 WeakPolarHBondContact O-CG 3.4Å; W276-L280 PolarHBondContact O-N 2.81Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 2.91Å; L280-I283 PolarHBondContact O-N 3.41Å; L280-F284 HydrophobicContact CB-CD2 4.28Å; L280-F284 HydrophobicContact CD2-CD2 4.47Å; L280-F284 HydrophobicContact CD2-CE2 4.19Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 WeakPolarHBondContact O-CD2 3.31Å; L280-F284 PolarHBondContact O-N 2.66Å
281	C	49.9	Very low	48.6	Very low	40 Å²	40	61.4 Å²	61.4	27%	0.27	32%	0.317	S	S	.	.	H	α-helix	trans	-59.4	-41	176.9	-164.6	0	0	0	0	111.7	H277 T279 E285	H277-C281 WeakPolarHBondContact O-CB 3.28Å; H277-C281 PolarHBondContact O-N 3.35Å; H277-C281 VanDerWaalsContact O-N 3.13Å; T279-C281 VanDerWaalsContact C-N 3.34Å; T279-C281 PolarHBondContact O-N 2.5Å; C281-E285 VanDerWaalsContact O-CB 3.27Å; C281-E285 WeakPolarHBondContact O-CB 3.2Å; C281-E285 PolarHBondContact O-N 2.75Å; C281-E285 VanDerWaalsContact O-N 3.07Å
282	N	47.4	Very low	47.8	Very low	51 Å²	51	62.7 Å²	62.7	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-69.3	-41.8	175.3	-75.4	-66.6	0	0	0	111.6	F278 T279 L280 E285 F286	F278-N282 WeakPolarHBondContact CE1-ND2 3.22Å; F278-N282 PolarHBondContact O-N 3.06Å; F278-N282 PolarHBondContact O-ND2 3.04Å; T279-N282 PolarHBondContact O-N 3.38Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 2.91Å; N282-E285 WeakPolarHBondContact O-CB 3.4Å; N282-E285 PolarHBondContact O-N 2.95Å; N282-F286 HydrophobicContact CB-CD2 4.14Å; N282-F286 HydrophobicContact CB-CE2 4.18Å; N282-F286 WeakPolarHBondContact O-CB 3.45Å; N282-F286 WeakPolarHBondContact O-CD2 3.48Å; N282-F286 WeakPolarHBondContact O-CG 3.36Å; N282-F286 PolarHBondContact O-N 2.96Å
283	I	51.6	Low	46.9	Very low	7 Å²	7	61.6 Å²	61.6	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-77.3	-33.5	-173.8	-68.3	171.4	0	0	0	112	Y194 Y210 F267 T279 L280 F286 S287	Y194-I283 HydrophobicContact CE1-CD1 4.46Å; Y194-I283 HydrophobicContact CE2-CG2 4.4Å; Y210-I283 HydrophobicContact CD1-CD1 3.55Å; Y210-I283 HydrophobicContact CD1-CG1 4.04Å; Y210-I283 HydrophobicContact CE1-CD1 4.1Å; Y210-I283 HydrophobicContact CG-CD1 4.38Å; Y210-I283 HydrophobicContact CG-CG1 4.41Å; F267-I283 HydrophobicContact CE1-CD1 4.19Å; F267-I283 HydrophobicContact CE2-CD1 3.38Å; F267-I283 HydrophobicContact CZ-CD1 3.07Å; F267-I283 HydrophobicContact CZ-CG1 4.34Å; F267-I283 HydrophobicContact CZ-CG2 4.46Å; T279-I283 HydrophobicContact CG2-CD1 3.61Å; T279-I283 HydrophobicContact CG2-CG1 4.46Å; T279-I283 WeakPolarHBondContact O-CG1 3.31Å; T279-I283 PolarHBondContact O-N 3.05Å; L280-I283 PolarHBondContact O-N 3.41Å; I283-F286 PolarHBondContact O-N 2.75Å; I283-S287 WeakPolarHBondContact O-CA 3.17Å; I283-S287 WeakPolarHBondContact O-CB 3.44Å; I283-S287 PolarHBondContact O-N 3.21Å
284	F	49.6	Very low	46.4	Very low	41 Å²	41	65.1 Å²	65.1	18%	0.18	33%	0.332	C	S	.	.	H	α-helix	trans	-68.6	-32.8	167	-84.3	-89.9	0	0	0	112.6	E185 V190 L280 F286	E185-F284 VanDerWaalsContact O-CE1 3.27Å; E185-F284 WeakPolarHBondContact O-CE1 3.36Å; E185-F284 VanDerWaalsContact O-CZ 3.3Å; E185-F284 WeakPolarHBondContact O-CZ 3.36Å; V190-F284 HydrophobicContact CG2-CE2 4.46Å; V190-F284 HydrophobicContact CG2-CZ 4.37Å; L280-F284 HydrophobicContact CB-CD2 4.28Å; L280-F284 HydrophobicContact CD2-CD2 4.47Å; L280-F284 HydrophobicContact CD2-CE2 4.19Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 WeakPolarHBondContact O-CD2 3.31Å; L280-F284 PolarHBondContact O-N 2.66Å; F284-F286 VanDerWaalsContact C-N 3.33Å
285	E	47.1	Very low	45.5	Very low	51 Å²	51	67.1 Å²	67.1	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-31.8	171	-100.6	-177.3	143	0	0	112.6	C281 N282 R301	C281-E285 VanDerWaalsContact O-CB 3.27Å; C281-E285 WeakPolarHBondContact O-CB 3.2Å; C281-E285 PolarHBondContact O-N 2.75Å; C281-E285 VanDerWaalsContact O-N 3.07Å; N282-E285 WeakPolarHBondContact O-CB 3.4Å; N282-E285 PolarHBondContact O-N 2.95Å; E285-R301 IonicContact OE1-CZ 3.24Å; E285-R301 IonicContact OE1-NE 3.61Å; E285-R301 PolarHBondContact OE1-NE 3.11Å; E285-R301 IonicContact OE1-NH2 2.99Å; E285-R301 PolarHBondContact OE1-NH2 2.86Å; E285-R301 IonicContact OE2-NH2 2.91Å
286	F	46.9	Very low	44.6	Very low	72 Å²	72	71.8 Å²	71.8	32%	0.316	36%	0.361	S	S	.	.	H	α-helix	trans	-116	-16.8	-166.9	-64.2	-57.6	0	0	0	116.2	V120 N282 I283 F284	V120-F286 HydrophobicContact CB-CD1 3.63Å; V120-F286 HydrophobicContact CB-CE1 3.58Å; V120-F286 HydrophobicContact CG1-CD1 4.21Å; V120-F286 HydrophobicContact CG2-CD1 3.46Å; V120-F286 VanDerWaalsContact CG2-CD1 3.46Å; V120-F286 HydrophobicContact CG2-CE1 3.37Å; N282-F286 HydrophobicContact CB-CD2 4.14Å; N282-F286 HydrophobicContact CB-CE2 4.18Å; N282-F286 WeakPolarHBondContact O-CB 3.45Å; N282-F286 WeakPolarHBondContact O-CD2 3.48Å; N282-F286 WeakPolarHBondContact O-CG 3.36Å; N282-F286 PolarHBondContact O-N 2.96Å; I283-F286 PolarHBondContact O-N 2.75Å; F284-F286 VanDerWaalsContact C-N 3.33Å
287	S	47	Very low	44	Very low	7 Å²	7	72.1 Å²	72.1	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-132.5	-7.7	-164.5	-173.7	0	0	0	0	116.3	V178 Y210 A211 I283	V178-S287 VanDerWaalsContact CG1-C 3.47Å; V178-S287 WeakPolarHBondContact CG1-O 3.47Å; Y210-S287 PolarHBondContact O-OG 3Å; A211-S287 WeakPolarHBondContact CA-OG 3.39Å; A211-S287 PolarHBondContact O-OG 3Å; I283-S287 WeakPolarHBondContact O-CA 3.17Å; I283-S287 WeakPolarHBondContact O-CB 3.44Å; I283-S287 PolarHBondContact O-N 3.21Å
288	V	45.1	Very low	43.3	Very low	11 Å²	11	70.7 Å²	70.7	7%	0.067	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-33.9	-175.6	-164.8	0	0	0	0	112.5	W184 E185	W184-V288 HydrophobicContact CB-CG1 4.21Å; E185-V288 HydrophobicContact CB-CG1 4.42Å; E185-V288 HydrophobicContact CG-CG1 3.53Å
289	R	44.3	Very low	42.6	Very low	128 Å²	128	72.5 Å²	72.5	48%	0.483	38%	0.376	S	S	.	.	S	Bend	trans	-98.9	1.3	-167.5	-73	-164.4	153.6	176	-3.5	117.7	E185	E185-R289 IonicContact OE2-CZ 3.75Å; E185-R289 IonicContact OE2-NE 3.62Å; E185-R289 PolarHBondContact OE2-NE 3.13Å; E185-R289 IonicContact OE2-NH2 2.71Å; E185-R289 PolarHBondContact OE2-NH2 3.21Å
290	G	38.9	Very low	42	Very low	46 Å²	46	79.8 Å²	79.8	47%	0.474	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	53.4	-179	-174.2	0	0	0	0	0	112	V292	G290-V292 PolarHBondContact O-N 3.4Å; G290-V292 VanDerWaalsContact O-N 3.09Å
291	T	40.2	Very low	41.3	Very low	64 Å²	64	85.7 Å²	85.7	39%	0.393	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-69.8	-3.6	-173	34.7	0	0	0	0	114.8	L118	L118-T291 HydrophobicContact CB-CG2 4.3Å
292	V	38	Very low	40.6	Very low	139 Å²	139	88.9 Å²	88.9	84%	0.842	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-88.3	-11.9	-167.7	-162.7	0	0	0	0	113.4	G290	G290-V292 PolarHBondContact O-N 3.4Å; G290-V292 VanDerWaalsContact O-N 3.09Å
293	G	33.7	Very low	40	Very low	35 Å²	35	89 Å²	89	36%	0.361	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-96.2	-7	-173.6	0	0	0	0	0	117.9	Q295 R296	G293-Q295 VanDerWaalsContact C-N 3.33Å; G293-Q295 PolarHBondContact O-N 2.77Å; G293-R296 PolarHBondContact O-N 3.21Å
294	L	36.3	Very low	39.2	Very low	101 Å²	101	91.2 Å²	91.2	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-62.3	-29.2	-164.9	-95.4	135.7	0	0	0	115.1
295	Q	31.6	Very low	38.6	Very low	190 Å²	190	92.8 Å²	92.8	89%	0.888	48%	0.478	S	S	*	.	H	α-helix	trans	-72.4	-30.3	-177.8	-79	176.5	-10.7	0	0	114.3	G293	G293-Q295 VanDerWaalsContact C-N 3.33Å; G293-Q295 PolarHBondContact O-N 2.77Å
296	R	34.7	Very low	38	Very low	226 Å²	226	96.5 Å²	96.5	85%	0.853	50%	0.498	S	S	*	.	H	α-helix	trans	-81.7	-22.1	-178.4	-74.4	-175	176.2	-162.3	0.1	113.2	G293	G293-R296 PolarHBondContact O-N 3.21Å
297	H	36.9	Very low	37.5	Very low	55 Å²	55	103.7 Å²	103.7	26%	0.255	52%	0.523	S	S	.	.	H	α-helix	trans	-93.5	-13.8	-173.8	-112	-116	0	0	0	115	K299 R300 R301	H297-K299 PolarHBondContact O-N 3.44Å; H297-R300 WeakPolarHBondContact NE2-CD 3.39Å; H297-R300 PolarHBondContact NE2-NH1 3.44Å; H297-R300 WeakPolarHBondContact O-CA 3.45Å; H297-R300 PolarHBondContact O-N 3.16Å; H297-R301 PolarHBondContact O-N 3.2Å
298	A	35.8	Very low	36.9	Very low	62 Å²	62	109.1 Å²	109.1	51%	0.512	55%	0.546	S	S	.	.	H	α-helix	trans	-54.8	-35.5	169.6	0	0	0	0	0	112.3	R300	A298-R300 PolarHBondContact O-N 2.62Å
299	K	34.3	Very low	36	Very low	182 Å²	182	116.6 Å²	116.6	79%	0.791	58%	0.581	S	S	*	*	H	α-helix	trans	-69.8	-26.2	172.8	-78.9	-176.2	175.3	180	0	113.9	H297	H297-K299 PolarHBondContact O-N 3.44Å
300	R	39.6	Very low	35.4	Very low	158 Å²	158	116.2 Å²	116.2	60%	0.596	60%	0.595	S	S	*	*	H	α-helix	trans	-85.4	-24.3	177.4	-80.7	178.3	164.1	-162.6	-4.6	113.4	H297 A298 L302 A303 C304	H297-R300 WeakPolarHBondContact NE2-CD 3.39Å; H297-R300 PolarHBondContact NE2-NH1 3.44Å; H297-R300 WeakPolarHBondContact O-CA 3.45Å; H297-R300 PolarHBondContact O-N 3.16Å; A298-R300 PolarHBondContact O-N 2.62Å; R300-L302 PolarHBondContact O-N 3.46Å; R300-A303 PolarHBondContact O-N 3.12Å; R300-C304 PolarHBondContact O-N 3.18Å
301	R	39.6	Very low	35	Very low	133 Å²	133	119.4 Å²	119.4	50%	0.502	62%	0.617	S	S	.	*	H	α-helix	trans	-56.1	-39.2	169.6	-83.9	-174.2	169.9	-162.2	-4.1	112.2	E285 H297 S305	E285-R301 IonicContact OE1-CZ 3.24Å; E285-R301 IonicContact OE1-NE 3.61Å; E285-R301 PolarHBondContact OE1-NE 3.11Å; E285-R301 IonicContact OE1-NH2 2.99Å; E285-R301 PolarHBondContact OE1-NH2 2.86Å; E285-R301 IonicContact OE2-NH2 2.91Å; H297-R301 PolarHBondContact O-N 3.2Å; R301-S305 PolarHBondContact O-N 3.21Å; R301-S305 VanDerWaalsContact O-N 3.11Å; R301-S305 PolarHBondContact O-OG 3.09Å
302	L	35	Very low	34.6	Very low	108 Å²	108	119.5 Å²	119.5	57%	0.565	63%	0.63	S	S	*	*	H	α-helix	trans	-64.6	-41.7	173	-79.8	153.3	0	0	0	111.9	R300 C304 S305 L306	R300-L302 PolarHBondContact O-N 3.46Å; L302-C304 VanDerWaalsContact C-N 3.35Å; L302-C304 PolarHBondContact O-N 3.34Å; L302-S305 WeakPolarHBondContact CA-OG 3.35Å; L302-S305 PolarHBondContact O-N 2.97Å; L302-S305 PolarHBondContact O-OG 3.17Å; L302-L306 HydrophobicContact CB-CD1 4.45Å; L302-L306 VanDerWaalsContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CD1 3.43Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 3.4Å
303	A	34.9	Very low	34.4	Very low	54 Å²	54	124.2 Å²	124.2	45%	0.446	63%	0.633	S	S	.	*	H	α-helix	trans	-67.9	-32.4	179.6	0	0	0	0	0	113.5	R300	R300-A303 PolarHBondContact O-N 3.12Å
304	C	34	Very low	34.4	Very low	52 Å²	52	133.8 Å²	133.8	35%	0.351	66%	0.658	S	S	.	*	H	α-helix	trans	-78.5	-33.9	177.9	-145.8	0	0	0	0	112.1	R300 L302 F308	R300-C304 PolarHBondContact O-N 3.18Å; L302-C304 VanDerWaalsContact C-N 3.35Å; L302-C304 PolarHBondContact O-N 3.34Å; C304-F308 WeakPolarHBondContact O-CD2 3.31Å
305	S	36.1	Very low	34.1	Very low	74 Å²	74	137.2 Å²	137.2	52%	0.517	68%	0.676	S	S	.	*	H	α-helix	trans	-77.9	-30.9	175.2	43.5	0	0	0	0	113.4	R301 L302 R307 F308	R301-S305 PolarHBondContact O-N 3.21Å; R301-S305 VanDerWaalsContact O-N 3.11Å; R301-S305 PolarHBondContact O-OG 3.09Å; L302-S305 WeakPolarHBondContact CA-OG 3.35Å; L302-S305 PolarHBondContact O-N 2.97Å; L302-S305 PolarHBondContact O-OG 3.17Å; S305-R307 VanDerWaalsContact C-N 3.35Å; S305-R307 PolarHBondContact O-N 3.21Å; S305-F308 PolarHBondContact O-N 2.96Å
306	L	34.7	Very low	34.4	Very low	129 Å²	129	135.5 Å²	135.5	68%	0.675	67%	0.671	S	S	*	*	H	α-helix	trans	-74	-19.7	177.5	-73.3	165.9	0	0	0	114.3	L302 F308	L302-L306 HydrophobicContact CB-CD1 4.45Å; L302-L306 VanDerWaalsContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CD1 3.43Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 3.4Å; L306-F308 VanDerWaalsContact C-N 3.35Å
307	R	38	Very low	34.5	Very low	223 Å²	223	137.3 Å²	137.3	84%	0.842	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-5.5	174.8	-73.3	-173.7	-175	-145	0.7	114	S305	S305-R307 VanDerWaalsContact C-N 3.35Å; S305-R307 PolarHBondContact O-N 3.21Å
308	F	32.9	Very low	34.4	Very low	121 Å²	121	141.5 Å²	141.5	53%	0.531	71%	0.711	S	S	.	*			trans	-114.6	56.9	179.4	-83.4	-92.9	0	0	0	110.8	C304 S305 L306	C304-F308 WeakPolarHBondContact O-CD2 3.31Å; S305-F308 PolarHBondContact O-N 2.96Å; L306-F308 VanDerWaalsContact C-N 3.35Å
309	Q	27	Very low	34.3	Very low	169 Å²	169	145.6 Å²	145.6	79%	0.79	72%	0.722	S	S	*	*			trans	-83.1	125.4	151.9	-76.3	-169.4	-18.7	0	0	107.9	A311	Q309-A311 PolarHBondContact O-N 3.36Å
310	P	31.1	Very low	34.3	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	72%	0.718	S	S	*	*			trans	-65.7	107.1	173.2	27.4	-30.8	0	0	0	108	G312	P310-G312 PolarHBondContact O-N 3.27Å
311	A	31.7	Very low	34	Very low	113 Å²	113	142.8 Å²	142.8	93%	0.934	73%	0.725	S	S	*	*	S	Bend	trans	-63.8	90.7	162.8	0	0	0	0	0	107.5	Q309	Q309-A311 PolarHBondContact O-N 3.36Å
312	G	31.1	Very low	33.6	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	74%	0.739	S	S	*	*			trans	166.8	40.4	-172.9	0	0	0	0	0	116.3	P310	P310-G312 PolarHBondContact O-N 3.27Å
313	R	33.9	Very low	33.5	Very low	239 Å²	239	145.7 Å²	145.7	90%	0.902	75%	0.751	S	S	*	*			trans	-133	88.2	150.5	-77.1	-168.1	-171.6	-151.4	2.3	107.7	L315	R313-L315 PolarHBondContact O-N 3.47Å
314	R	32.6	Very low	33.4	Very low	235 Å²	235	152.3 Å²	152.3	89%	0.887	77%	0.772	S	S	*	*			trans	-70.7	115.6	152.7	-73.1	-173.7	-154.1	-161.3	4.6	105.5	I316	R314-I316 PolarHBondContact O-N 3.46Å
315	L	30.3	Very low	33.4	Very low	173 Å²	173	160 Å²	160	91%	0.906	81%	0.805	S	S	*	*			trans	-53	124.3	152.7	-81.9	121.8	0	0	0	106.9	R313	R313-L315 PolarHBondContact O-N 3.47Å
316	I	39.2	Very low	33.2	Very low	155 Å²	155	167.2 Å²	167.2	80%	0.795	83%	0.829	S	S	*	*			trans	-115.1	122.8	157.6	-49.8	177.4	0	0	0	103	R314	R314-I316 PolarHBondContact O-N 3.46Å
317	E	35.5	Very low	33	Very low	264 Å²	264	170.6 Å²	170.6	100%	1.234	84%	0.843	S	S	*	*			trans	-55.8	0	165.2	-73	177.7	141.2	0	0	112.1

Retrieved 317 of 317 residues in 159.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).