A0A5K4F8Z5_SCHMA Loading...

SCP domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8Z5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	41.3	Very low	44.7	Very low	232 Å²	232	140 Å²	140	100%	1.143	80%	0.804	S	S	*	*				0	88.8	0	-68.4	169.9	155.1	0	0	106.9
2	T	38.2	Very low	45.8	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	81%	0.806	S	S	*	*				60.3	121.8	98	50.7	0	0	0	0	111.6
3	V	45.6	Very low	46.5	Very low	134 Å²	134	140.7 Å²	140.7	81%	0.812	81%	0.806	S	S	*	*			cis	-162.9	156.4	22.7	147.6	0	0	0	0	110.3
4	K	38.4	Very low	47.3	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.826	81%	0.81	S	S	*	*			trans	-47.1	145.6	174.3	-67.1	163.8	176.7	178.7	0	115.4
5	C	36.7	Very low	48	Very low	103 Å²	103	141.8 Å²	141.8	70%	0.696	81%	0.811	S	S	*	*				79.3	130.2	64.8	-150.4	0	0	0	0	115.1
6	Q	42.1	Very low	48.3	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	81%	0.805	S	S	*	*			trans	69	145.1	160.5	-75.7	165.3	-17.7	0	0	117.4
7	S	44.8	Very low	48.7	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	80%	0.803	S	S	*	*			cis	-176	171.2	-2.6	45.5	0	0	0	0	108
8	S	49.6	Very low	49.3	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	80%	0.803	S	S	*	*			trans	81.6	120	145.4	26.2	0	0	0	0	122
9	L	50.4	Low	49.7	Very low	159 Å²	159	139 Å²	139	83%	0.832	80%	0.795	S	S	*	*			trans	69.1	116.1	131.4	-61.9	156.7	0	0	0	116.3
10	T	55.9	Low	49.8	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	79%	0.792	S	S	*	*				-167.7	127.2	82.9	30.5	0	0	0	0	110.8
11	A	48.1	Very low	49.7	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	78%	0.784	S	S	*	*			trans	-88.8	120.6	163.8	0	0	0	0	0	108
12	L	58.2	Low	50.1	Low	157 Å²	157	128.7 Å²	128.7	82%	0.822	76%	0.759	S	S	*	*			trans	-118.7	99.1	171.1	-99.6	148.1	0	0	0	108	T14	L12-T14 PolarHBondContact O-N 3.04Å
13	T	54.8	Low	50.8	Low	132 Å²	132	128.2 Å²	128.2	81%	0.81	76%	0.756	S	S	*	*			trans	-69.4	110.3	176.1	45.2	0	0	0	0	110.5	L15	T13-L15 PolarHBondContact O-N 3.15Å; T13-L15 VanDerWaalsContact O-N 3.15Å
14	T	57.8	Low	51.4	Low	141 Å²	141	126.6 Å²	126.6	87%	0.865	74%	0.74	S	S	*	*			trans	-73.3	91.9	167.2	14.9	0	0	0	0	109.8	L12 C16	L12-T14 PolarHBondContact O-N 3.04Å; T14-C16 PolarHBondContact O-N 2.91Å; T14-C16 VanDerWaalsContact O-N 3.14Å
15	L	58.5	Low	52.5	Low	157 Å²	157	121.2 Å²	121.2	82%	0.822	73%	0.73	S	S	*	*			trans	-77.9	93.1	169.6	-166.3	73.2	0	0	0	108.8	T13 L17	T13-L15 PolarHBondContact O-N 3.15Å; T13-L15 VanDerWaalsContact O-N 3.15Å; L15-L17 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact O-N 3.12Å
16	C	52.3	Low	54.5	Low	105 Å²	105	120.1 Å²	120.1	71%	0.709	73%	0.729	S	S	*	*			trans	-70.8	99.2	175	-152.9	0	0	0	0	109.2	T14 L18	T14-C16 PolarHBondContact O-N 2.91Å; T14-C16 VanDerWaalsContact O-N 3.14Å; C16-L18 PolarHBondContact O-N 2.95Å
17	L	55.9	Low	56.9	Low	147 Å²	147	112.2 Å²	112.2	77%	0.77	69%	0.692	S	S	*	*			trans	-70.6	78.3	167.3	-82	162	0	0	0	109.3	L15 V19	L15-L17 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact O-N 3.12Å; L17-V19 PolarHBondContact O-N 3.21Å
18	L	58.1	Low	59.2	Low	154 Å²	154	112.1 Å²	112.1	81%	0.806	68%	0.684	S	S	*	*			trans	-71.6	73.5	160.8	-87.7	159	0	0	0	108.4	C16 C20	C16-L18 PolarHBondContact O-N 2.95Å; L18-C20 PolarHBondContact O-N 2.95Å
19	V	58	Low	61.4	Low	108 Å²	108	111.9 Å²	111.9	66%	0.655	68%	0.676	S	S	*	*			trans	-70.1	94.2	158.7	179.4	0	0	0	0	105.6	L17 C21	L17-V19 PolarHBondContact O-N 3.21Å; V19-C21 PolarHBondContact O-N 3.11Å
20	C	50.6	Low	63.6	Low	109 Å²	109	107.5 Å²	107.5	74%	0.736	66%	0.662	S	S	*	*			trans	-64.5	77.4	165.4	-170.1	0	0	0	0	107.8	L18 C22	L18-C20 PolarHBondContact O-N 2.95Å; C20-C22 VanDerWaalsContact C-N 3.31Å; C20-C22 PolarHBondContact O-N 3.05Å
21	C	47.6	Very low	65.6	Low	92 Å²	92	103 Å²	103	62%	0.622	63%	0.634	S	S	*	*			trans	-65.5	100.2	161.5	-88.7	0	0	0	0	105.6	V19 V23	V19-C21 PolarHBondContact O-N 3.11Å; C21-V23 HydrophobicContact CB-CG2 3.9Å; C21-V23 PolarHBondContact O-N 3.13Å
22	C	50.8	Low	67.9	Low	92 Å²	92	100.4 Å²	100.4	62%	0.622	60%	0.604	S	S	*	*			trans	-60	82.2	155.5	-60.5	0	0	0	0	106.6	C20 H24	C20-C22 VanDerWaalsContact C-N 3.31Å; C20-C22 PolarHBondContact O-N 3.05Å; C22-H24 PolarHBondContact O-N 2.93Å; C22-H24 PolarHBondContact O-ND1 3.33Å
23	V	52.1	Low	69.8	Low	122 Å²	122	98.5 Å²	98.5	74%	0.739	59%	0.59	S	S	*	*			trans	-69.4	85.6	170.4	-175.1	0	0	0	0	104.8	C21 A25	C21-V23 HydrophobicContact CB-CG2 3.9Å; C21-V23 PolarHBondContact O-N 3.13Å; V23-A25 PolarHBondContact O-N 3.25Å
24	H	57.9	Low	71.9	Confident	100 Å²	100	96.2 Å²	96.2	46%	0.463	57%	0.569	S	S	.	*			trans	-46.4	115.5	161.8	-66.7	88.5	0	0	0	106.2	C22 A26 D78	C22-H24 PolarHBondContact O-N 2.93Å; C22-H24 PolarHBondContact O-ND1 3.33Å; H24-A26 PolarHBondContact O-N 2.79Å; H24-D78 VanDerWaalsContact CB-OD2 3.27Å; H24-D78 WeakPolarHBondContact CB-OD2 3.45Å; H24-D78 IonicContact CD2-OD2 3.01Å; H24-D78 PolarHBondContact CD2-OD2 3.1Å; H24-D78 IonicContact CG-OD2 3.42Å
25	A	63.1	Low	73.9	Confident	76 Å²	76	89.5 Å²	89.5	63%	0.628	53%	0.528	S	S	*	.			trans	-59.9	106.4	-175.6	0	0	0	0	0	107.7	V23 M27	V23-A25 PolarHBondContact O-N 3.25Å; A25-M27 PolarHBondContact O-N 3.35Å
26	A	77.6	Confident	75.8	Confident	81 Å²	81	83.9 Å²	83.9	67%	0.669	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-61.3	135.7	-177.1	0	0	0	0	0	109.1	H24 D28	H24-A26 PolarHBondContact O-N 2.79Å; A26-D28 PolarHBondContact O-N 3.22Å
27	M	92	Very high	78	Confident	12 Å²	12	85.7 Å²	85.7	6%	0.059	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-56.1	133	173.7	-178.5	-171.9	60.8	0	0	110.1	A25 T31 R32 L35 W65 C150 V152	A25-M27 PolarHBondContact O-N 3.35Å; M27-T31 HydrophobicContact CG-CG2 3.8Å; M27-T31 HydrophobicContact SD-CG2 3.65Å; M27-R32 HydrophobicContact CE-CB 3.68Å; M27-R32 HydrophobicContact CE-CG 4.18Å; M27-R32 PolarHBondContact O-NH2 3.07Å; M27-L35 HydrophobicContact SD-CD1 3.96Å; M27-W65 HydrophobicContact CE-CH2 3.71Å; M27-W65 HydrophobicContact CE-CZ2 3.54Å; M27-C150 VanDerWaalsContact CE-O 3.28Å; M27-C150 WeakPolarHBondContact CE-O 3.48Å; M27-V152 HydrophobicContact CG-CB 4.45Å; M27-V152 HydrophobicContact CG-CG2 4.48Å; M27-V152 HydrophobicContact SD-CB 4.46Å; M27-V152 HydrophobicContact SD-CG2 3.9Å
28	D	93.7	Very high	80	Confident	95 Å²	95	80.4 Å²	80.4	51%	0.508	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-66.9	159.5	-179.8	69.2	28.2	0	0	0	112.7	A26 A30 T31 R32	A26-D28 PolarHBondContact O-N 3.22Å; D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.39Å; D28-A30 PolarHBondContact OD1-N 2.89Å; D28-T31 PolarHBondContact O-N 3.03Å; D28-T31 WeakPolarHBondContact OD1-CA 3.34Å; D28-T31 WeakPolarHBondContact OD1-CB 3.04Å; D28-T31 PolarHBondContact OD1-N 3.39Å; D28-T31 PolarHBondContact OD1-OG1 2.91Å; D28-R32 PolarHBondContact O-N 3.4Å; D28-R32 VanDerWaalsContact O-N 3.11Å
29	N	95.4	Very high	82	Confident	84 Å²	84	73.1 Å²	73.1	45%	0.449	43%	0.429	S	S	.	.	H	α-helix	trans	-66.9	-30.2	-177.1	-167.2	56.7	0	0	0	112.6	R32 E33	N29-R32 WeakPolarHBondContact O-CB 3.35Å; N29-R32 PolarHBondContact O-N 2.83Å; N29-R32 PolarHBondContact OD1-NH1 2.85Å; N29-E33 PolarHBondContact ND2-OE1 3.36Å; N29-E33 WeakPolarHBondContact O-CB 3.04Å; N29-E33 WeakPolarHBondContact O-CG 3.42Å; N29-E33 PolarHBondContact O-N 1.99Å
30	A	97.1	Very high	83.9	Confident	67 Å²	67	69.1 Å²	69.1	55%	0.554	40%	0.404	S	S	*	.	H	α-helix	trans	-64.6	-42	177.8	0	0	0	0	0	111.6	D28 K34	D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.39Å; D28-A30 PolarHBondContact OD1-N 2.89Å; A30-K34 VanDerWaalsContact O-CB 3.24Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 2.92Å
31	T	97.2	Very high	86.2	Confident	32 Å²	32	67.6 Å²	67.6	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-69.6	-39.4	177.3	-57.4	0	0	0	0	111.1	M27 D28 K34 L35 V108 V152	M27-T31 HydrophobicContact CG-CG2 3.8Å; M27-T31 HydrophobicContact SD-CG2 3.65Å; D28-T31 PolarHBondContact O-N 3.03Å; D28-T31 WeakPolarHBondContact OD1-CA 3.34Å; D28-T31 WeakPolarHBondContact OD1-CB 3.04Å; D28-T31 PolarHBondContact OD1-N 3.39Å; D28-T31 PolarHBondContact OD1-OG1 2.91Å; T31-K34 PolarHBondContact O-N 3.21Å; T31-L35 HydrophobicContact CG2-CD1 4.09Å; T31-L35 WeakPolarHBondContact O-CB 3.39Å; T31-L35 PolarHBondContact O-N 3.14Å; T31-V108 HydrophobicContact CG2-CG2 3.95Å; T31-V152 HydrophobicContact CG2-CG2 4Å
32	R	98	Very high	88.6	Confident	45 Å²	45	63.4 Å²	63.4	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-53.6	-57	171.1	-176.5	175.4	-60.6	114.8	4.7	111.7	M27 D28 N29 K34 L35 L36 W65 E70	M27-R32 HydrophobicContact CE-CB 3.68Å; M27-R32 HydrophobicContact CE-CG 4.18Å; M27-R32 PolarHBondContact O-NH2 3.07Å; D28-R32 PolarHBondContact O-N 3.4Å; D28-R32 VanDerWaalsContact O-N 3.11Å; N29-R32 WeakPolarHBondContact O-CB 3.35Å; N29-R32 PolarHBondContact O-N 2.83Å; N29-R32 PolarHBondContact OD1-NH1 2.85Å; R32-K34 VanDerWaalsContact C-N 3.3Å; R32-K34 PolarHBondContact O-N 3.34Å; R32-L35 PolarHBondContact O-N 2.92Å; R32-L36 PolarHBondContact O-N 2.97Å; R32-W65 HydrophobicContact CB-CH2 4.38Å; R32-W65 HydrophobicContact CB-CZ2 4.37Å; R32-W65 HydrophobicContact CG-CD2 3.56Å; R32-W65 VanDerWaalsContact CG-CE2 3.42Å; R32-W65 HydrophobicContact CG-CE3 3.82Å; R32-W65 HydrophobicContact CG-CG 4.14Å; R32-W65 HydrophobicContact CG-CH2 3.78Å; R32-W65 HydrophobicContact CG-CZ2 3.56Å; R32-W65 HydrophobicContact CG-CZ3 3.91Å; R32-W65 WeakPolarHBondContact O-CZ3 3.36Å; R32-E70 IonicContact CZ-OE1 3.64Å; R32-E70 IonicContact CZ-OE2 3.43Å; R32-E70 IonicContact NE-OE1 3.73Å; R32-E70 IonicContact NE-OE2 2.8Å; R32-E70 PolarHBondContact NE-OE2 2.94Å; R32-E70 IonicContact NH2-OE1 2.71Å; R32-E70 PolarHBondContact NH2-OE1 2.92Å; R32-E70 IonicContact NH2-OE2 3.22Å; R32-E70 PolarHBondContact NH2-OE2 3.43Å
33	E	98.1	Very high	90.9	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-39.8	-180	-73.1	177.3	-173.5	0	0	111.7	N29 L36 K37	N29-E33 PolarHBondContact ND2-OE1 3.36Å; N29-E33 WeakPolarHBondContact O-CB 3.04Å; N29-E33 WeakPolarHBondContact O-CG 3.42Å; N29-E33 PolarHBondContact O-N 1.99Å; E33-L36 PolarHBondContact O-N 3Å; E33-K37 VanDerWaalsContact O-CB 3.23Å; E33-K37 WeakPolarHBondContact O-CB 3.12Å; E33-K37 PolarHBondContact O-N 3.46Å
34	K	98.5	Very high	93.1	Very high	85 Å²	85	56.6 Å²	56.6	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-50.1	177.1	-171.4	173.9	-159.5	-179.7	0	112	A30 T31 R32 L36 K37 L38 D109	A30-K34 VanDerWaalsContact O-CB 3.24Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 2.92Å; T31-K34 PolarHBondContact O-N 3.21Å; R32-K34 VanDerWaalsContact C-N 3.3Å; R32-K34 PolarHBondContact O-N 3.34Å; K34-L36 VanDerWaalsContact C-N 3.35Å; K34-L36 PolarHBondContact O-N 3.38Å; K34-K37 PolarHBondContact O-N 3.39Å; K34-L38 HydrophobicContact CG-CD1 4.09Å; K34-L38 HydrophobicContact CG-CG 4.47Å; K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 VanDerWaalsContact O-CG 3.26Å; K34-L38 WeakPolarHBondContact O-CG 3.02Å; K34-L38 PolarHBondContact O-N 2.71Å; K34-D109 WeakPolarHBondContact CE-OD1 3.33Å; K34-D109 WeakPolarHBondContact CE-OD2 3.3Å; K34-D109 IonicContact NZ-OD1 2.9Å; K34-D109 PolarHBondContact NZ-OD1 3.04Å; K34-D109 IonicContact NZ-OD2 2.64Å; K34-D109 PolarHBondContact NZ-OD2 3.21Å
35	L	98.7	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-43.3	179.1	-81.2	166.2	0	0	0	111.4	M27 T31 R32 L38 H39 W65 V108 C150 V152	M27-L35 HydrophobicContact SD-CD1 3.96Å; T31-L35 HydrophobicContact CG2-CD1 4.09Å; T31-L35 WeakPolarHBondContact O-CB 3.39Å; T31-L35 PolarHBondContact O-N 3.14Å; R32-L35 PolarHBondContact O-N 2.92Å; L35-L38 PolarHBondContact O-N 3.31Å; L35-H39 PolarHBondContact O-N 2.97Å; L35-H39 VanDerWaalsContact O-N 3.13Å; L35-H39 PolarHBondContact O-ND1 3.49Å; L35-W65 HydrophobicContact CB-CZ3 4.3Å; L35-V108 HydrophobicContact CD1-CG1 4.27Å; L35-V108 HydrophobicContact CD2-CG1 3.46Å; L35-V108 VanDerWaalsContact CD2-CG1 3.46Å; L35-V108 HydrophobicContact CG-CG1 3.7Å; L35-C150 HydrophobicContact CD1-CB 3.58Å; L35-V152 HydrophobicContact CD1-CG2 4.04Å
36	L	98.7	Very high	96.5	Very high	39 Å²	39	49.4 Å²	49.4	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-47	175.5	-174.7	59.8	0	0	0	111.8	R32 E33 K34 H39 N40 L63 W65 I148	R32-L36 PolarHBondContact O-N 2.97Å; E33-L36 PolarHBondContact O-N 3Å; K34-L36 VanDerWaalsContact C-N 3.35Å; K34-L36 PolarHBondContact O-N 3.38Å; L36-H39 PolarHBondContact O-N 3.19Å; L36-N40 WeakPolarHBondContact O-CB 3.44Å; L36-N40 PolarHBondContact O-N 3.34Å; L36-L63 HydrophobicContact CD1-CB 4.19Å; L36-L63 WeakPolarHBondContact CD1-O 3.31Å; L36-W65 HydrophobicContact CB-CE3 4.04Å; L36-W65 HydrophobicContact CB-CZ3 4.3Å; L36-W65 HydrophobicContact CD1-CE3 4.38Å; L36-W65 HydrophobicContact CD2-CB 4.47Å; L36-I148 HydrophobicContact CD1-CG2 3.64Å
37	K	98.7	Very high	97.3	Very high	142 Å²	142	48.5 Å²	48.5	62%	0.617	25%	0.252	S	S	*	.	H	α-helix	trans	-61.8	-44.5	178.9	-176.4	175.1	-178.5	176.3	0	111.8	E33 K34 H39 N40 N41	E33-K37 VanDerWaalsContact O-CB 3.23Å; E33-K37 WeakPolarHBondContact O-CB 3.12Å; E33-K37 PolarHBondContact O-N 3.46Å; K34-K37 PolarHBondContact O-N 3.39Å; K37-H39 PolarHBondContact O-N 3.12Å; K37-N40 PolarHBondContact O-N 3.43Å; K37-N41 VanDerWaalsContact O-CB 3.27Å; K37-N41 WeakPolarHBondContact O-CB 3.05Å; K37-N41 PolarHBondContact O-N 2.88Å; K37-N41 PolarHBondContact O-ND2 2.83Å; K37-N41 PolarHBondContact O-OD1 3.25Å
38	L	98.8	Very high	97.5	Very high	37 Å²	37	53.5 Å²	53.5	19%	0.194	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-46.8	177.3	-76.3	171.6	0	0	0	111.7	K34 L35 N41 A42 V108 F112	K34-L38 HydrophobicContact CG-CD1 4.09Å; K34-L38 HydrophobicContact CG-CG 4.47Å; K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 VanDerWaalsContact O-CG 3.26Å; K34-L38 WeakPolarHBondContact O-CG 3.02Å; K34-L38 PolarHBondContact O-N 2.71Å; L35-L38 PolarHBondContact O-N 3.31Å; L38-N41 PolarHBondContact O-N 2.96Å; L38-A42 PolarHBondContact O-N 2.69Å; L38-V108 HydrophobicContact CD1-CG1 4.48Å; L38-F112 HydrophobicContact CB-CD1 3.81Å; L38-F112 HydrophobicContact CB-CD2 3.96Å; L38-F112 HydrophobicContact CB-CE1 3.73Å; L38-F112 HydrophobicContact CB-CE2 3.89Å; L38-F112 HydrophobicContact CB-CG 3.93Å; L38-F112 HydrophobicContact CB-CZ 3.77Å; L38-F112 HydrophobicContact CD1-CB 4Å; L38-F112 HydrophobicContact CD1-CD1 4.08Å; L38-F112 HydrophobicContact CD1-CG 3.93Å; L38-F112 HydrophobicContact CD2-CD1 3.98Å; L38-F112 HydrophobicContact CD2-CE1 4.18Å; L38-F112 HydrophobicContact CG-CD1 4.18Å; L38-F112 HydrophobicContact CG-CE1 4.44Å; L38-F112 HydrophobicContact CG-CG 4.39Å; L38-F112 WeakPolarHBondContact O-CZ 3.31Å
39	H	98.8	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-48.4	177	-76.5	81.3	0	0	0	112.2	L35 L36 K37 N41 A42 R43 L63 F112 I148 Y168	L35-H39 PolarHBondContact O-N 2.97Å; L35-H39 VanDerWaalsContact O-N 3.13Å; L35-H39 PolarHBondContact O-ND1 3.49Å; L36-H39 PolarHBondContact O-N 3.19Å; K37-H39 PolarHBondContact O-N 3.12Å; H39-N41 VanDerWaalsContact C-N 3.31Å; H39-N41 PolarHBondContact O-N 3.19Å; H39-A42 PolarHBondContact O-N 3.12Å; H39-R43 WeakPolarHBondContact O-CG 3.11Å; H39-R43 PolarHBondContact O-N 2.7Å; H39-L63 HydrophobicContact CB-CD1 4.01Å; H39-F112 AromaticContact CD2-CE2 3.94Å; H39-F112 AromaticContact CE1-CD2 3.73Å; H39-F112 AromaticContact CE1-CE2 3.61Å; H39-F112 AromaticContact CG-CE2 3.81Å; H39-F112 AromaticContact ND1-CD2 3.99Å; H39-F112 AromaticContact ND1-CE2 3.6Å; H39-F112 AromaticContact NE2-CE2 3.8Å; H39-I148 HydrophobicContact CB-CD1 4.4Å; H39-I148 VanDerWaalsContact CE1-CD1 3.4Å; H39-I148 WeakPolarHBondContact CE1-CD1 3.07Å; H39-I148 WeakPolarHBondContact ND1-CD1 3.44Å; H39-I148 WeakPolarHBondContact NE2-CD1 3.06Å; H39-Y168 AromaticContact CD2-CE1 3.66Å; H39-Y168 AromaticContact NE2-CE1 3.56Å; H39-Y168 AromaticContact NE2-CZ 3.52Å; H39-Y168 PolarHBondContact NE2-OH 3.23Å
40	N	98.8	Very high	97.3	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-35.8	-179.6	-75	-25	0	0	0	111.8	L36 K37 A42 R43 I44 P62 L63	L36-N40 WeakPolarHBondContact O-CB 3.44Å; L36-N40 PolarHBondContact O-N 3.34Å; K37-N40 PolarHBondContact O-N 3.43Å; N40-A42 PolarHBondContact O-N 3.09Å; N40-R43 PolarHBondContact O-N 2.84Å; N40-I44 WeakPolarHBondContact O-CB 3.43Å; N40-I44 VanDerWaalsContact O-CG1 3.23Å; N40-I44 WeakPolarHBondContact O-CG1 3.16Å; N40-I44 PolarHBondContact O-N 3.22Å; N40-P62 WeakPolarHBondContact OD1-CA 3.03Å; N40-L63 PolarHBondContact ND2-O 3.13Å; N40-L63 PolarHBondContact OD1-N 3.26Å
41	N	98.5	Very high	97	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-39	172.4	-74.3	-9.9	0	0	0	112.7	K37 L38 H39 S45	K37-N41 VanDerWaalsContact O-CB 3.27Å; K37-N41 WeakPolarHBondContact O-CB 3.05Å; K37-N41 PolarHBondContact O-N 2.88Å; K37-N41 PolarHBondContact O-ND2 2.83Å; K37-N41 PolarHBondContact O-OD1 3.25Å; L38-N41 PolarHBondContact O-N 2.96Å; H39-N41 VanDerWaalsContact C-N 3.31Å; H39-N41 PolarHBondContact O-N 3.19Å; N41-S45 WeakPolarHBondContact O-CB 3.17Å; N41-S45 PolarHBondContact O-N 2.8Å; N41-S45 PolarHBondContact O-OG 3.15Å
42	A	98.6	Very high	96.4	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-41	175.2	0	0	0	0	0	112	L38 H39 N40 S45 V46 F112 L116 I140	L38-A42 PolarHBondContact O-N 2.69Å; H39-A42 PolarHBondContact O-N 3.12Å; N40-A42 PolarHBondContact O-N 3.09Å; A42-S45 WeakPolarHBondContact O-CB 3.46Å; A42-S45 PolarHBondContact O-N 2.71Å; A42-V46 PolarHBondContact O-N 3Å; A42-V46 VanDerWaalsContact O-N 3.13Å; A42-F112 HydrophobicContact CB-CZ 4.04Å; A42-L116 HydrophobicContact CB-CD1 3.85Å; A42-L116 HydrophobicContact CB-CD2 4.4Å; A42-I140 HydrophobicContact CB-CG2 3.7Å
43	R	98.4	Very high	95.8	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-45.2	175.6	-67.7	169.5	77.5	81.7	-6.5	111.6	H39 N40 S45 V46 M47 I60 K61 I140 W142 T145	H39-R43 WeakPolarHBondContact O-CG 3.11Å; H39-R43 PolarHBondContact O-N 2.7Å; N40-R43 PolarHBondContact O-N 2.84Å; R43-S45 VanDerWaalsContact C-N 3.32Å; R43-S45 PolarHBondContact O-N 3.34Å; R43-V46 PolarHBondContact O-N 3.46Å; R43-M47 PolarHBondContact O-N 2.98Å; R43-I60 HydrophobicContact CB-CG2 3.76Å; R43-I60 HydrophobicContact CG-CG2 3.86Å; R43-K61 PolarHBondContact NE-O 2.71Å; R43-K61 PolarHBondContact NH2-O 3.46Å; R43-I140 WeakPolarHBondContact CG-O 3.31Å; R43-I140 PolarHBondContact NH1-O 2.75Å; R43-W142 PolarHBondContact NH1-O 2.92Å; R43-W142 PolarHBondContact NH2-O 3.37Å; R43-T145 PolarHBondContact NH2-O 3.43Å
44	I	98	Very high	95.3	Very high	69 Å²	69	54.5 Å²	54.5	35%	0.354	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-43.4	171.8	-71.6	168	0	0	0	110.6	N40 V46 M47 H48	N40-I44 WeakPolarHBondContact O-CB 3.43Å; N40-I44 VanDerWaalsContact O-CG1 3.23Å; N40-I44 WeakPolarHBondContact O-CG1 3.16Å; N40-I44 PolarHBondContact O-N 3.22Å; I44-V46 VanDerWaalsContact C-N 3.29Å; I44-V46 PolarHBondContact O-N 2.81Å; I44-M47 PolarHBondContact O-N 2.8Å; I44-M47 VanDerWaalsContact O-N 3.08Å; I44-H48 VanDerWaalsContact CG2-CD2 3.49Å; I44-H48 WeakPolarHBondContact CG2-CD2 3.38Å; I44-H48 PolarHBondContact O-CD2 3.46Å; I44-H48 PolarHBondContact O-N 2.95Å
45	S	97.8	Very high	94.8	Very high	25 Å²	25	50.6 Å²	50.6	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-39.2	-179.5	-64.5	0	0	0	0	112.5	N41 A42 R43 H48 G49 R50	N41-S45 WeakPolarHBondContact O-CB 3.17Å; N41-S45 PolarHBondContact O-N 2.8Å; N41-S45 PolarHBondContact O-OG 3.15Å; A42-S45 WeakPolarHBondContact O-CB 3.46Å; A42-S45 PolarHBondContact O-N 2.71Å; R43-S45 VanDerWaalsContact C-N 3.32Å; R43-S45 PolarHBondContact O-N 3.34Å; S45-H48 PolarHBondContact O-N 3.43Å; S45-G49 PolarHBondContact O-N 2.72Å; S45-G49 VanDerWaalsContact O-N 3.13Å; S45-R50 PolarHBondContact O-N 3.47Å
46	V	95	Very high	94.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-41.1	173.9	178.2	0	0	0	0	112	A42 R43 I44 H48 G49 L51 I56 A57 I60 V141 Y180	A42-V46 PolarHBondContact O-N 3Å; A42-V46 VanDerWaalsContact O-N 3.13Å; R43-V46 PolarHBondContact O-N 3.46Å; I44-V46 VanDerWaalsContact C-N 3.29Å; I44-V46 PolarHBondContact O-N 2.81Å; V46-H48 PolarHBondContact O-N 3.31Å; V46-G49 PolarHBondContact O-N 2.63Å; V46-L51 HydrophobicContact CG2-CD1 3.54Å; V46-L51 HydrophobicContact CG2-CG 4.13Å; V46-I56 WeakPolarHBondContact O-CA 3.29Å; V46-A57 HydrophobicContact CG1-CB 3.67Å; V46-A57 PolarHBondContact O-N 2.82Å; V46-A57 VanDerWaalsContact O-N 3.15Å; V46-I60 HydrophobicContact CB-CD1 4.33Å; V46-I60 HydrophobicContact CG1-CD1 4.17Å; V46-V141 HydrophobicContact CG2-CB 4.39Å; V46-V141 HydrophobicContact CG2-CG1 3.71Å; V46-Y180 HydrophobicContact CG1-CD1 4.06Å; V46-Y180 HydrophobicContact CG1-CD2 4.17Å; V46-Y180 HydrophobicContact CG1-CE1 3.48Å; V46-Y180 VanDerWaalsContact CG1-CE1 3.48Å; V46-Y180 HydrophobicContact CG1-CE2 3.57Å; V46-Y180 HydrophobicContact CG1-CG 4.38Å; V46-Y180 VanDerWaalsContact CG1-OH 3.31Å; V46-Y180 WeakPolarHBondContact CG1-OH 3.35Å; V46-Y180 HydrophobicContact CG2-CE1 4.44Å
47	M	95.1	Very high	94	Very high	62 Å²	62	51.6 Å²	51.6	31%	0.305	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-24.9	177.1	-70.1	177.3	63	0	0	113.6	R43 I44 I56 A57 I60	R43-M47 PolarHBondContact O-N 2.98Å; I44-M47 PolarHBondContact O-N 2.8Å; I44-M47 VanDerWaalsContact O-N 3.08Å; M47-I56 WeakPolarHBondContact O-CG2 3.22Å; M47-A57 HydrophobicContact CG-CB 4.1Å; M47-I60 HydrophobicContact CG-CB 4.05Å; M47-I60 HydrophobicContact CG-CG1 4.27Å; M47-I60 HydrophobicContact SD-CB 3.92Å; M47-I60 PolarHBondContact SD-N 3.21Å; M47-I60 VanDerWaalsContact SD-N 3.45Å
48	H	94.6	Very high	93.6	Very high	116 Å²	116	52 Å²	52	54%	0.537	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	7.5	177.1	-66.7	-73.5	0	0	0	113.9	I44 S45 V46 R50	I44-H48 VanDerWaalsContact CG2-CD2 3.49Å; I44-H48 WeakPolarHBondContact CG2-CD2 3.38Å; I44-H48 PolarHBondContact O-CD2 3.46Å; I44-H48 PolarHBondContact O-N 2.95Å; S45-H48 PolarHBondContact O-N 3.43Å; V46-H48 PolarHBondContact O-N 3.31Å; H48-R50 VanDerWaalsContact C-N 3.31Å; H48-R50 HydrophobicContact CB-CG 4.04Å; H48-R50 PolarHBondContact O-N 2.95Å
49	G	90.5	Very high	93.2	Very high	35 Å²	35	53 Å²	53	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	27.3	178	0	0	0	0	0	114.9	S45 V46	S45-G49 PolarHBondContact O-N 2.72Å; S45-G49 VanDerWaalsContact O-N 3.13Å; V46-G49 PolarHBondContact O-N 2.63Å
50	R	94.7	Very high	93	Very high	161 Å²	161	53.3 Å²	53.3	61%	0.608	29%	0.285	S	S	*	.			trans	-85.6	-9.4	-177.3	-59.9	178.4	-177.2	151.7	0.3	113.8	S45 H48	S45-R50 PolarHBondContact O-N 3.47Å; H48-R50 VanDerWaalsContact C-N 3.31Å; H48-R50 HydrophobicContact CB-CG 4.04Å; H48-R50 PolarHBondContact O-N 2.95Å
51	L	91.3	Very high	92.9	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.063	31%	0.309	C	S	.	.	S	Bend	trans	-96	105.6	173.6	-58.5	-167.2	0	0	0	109.3	V46 G53 Q54 L116 Y119 Y137	V46-L51 HydrophobicContact CG2-CD1 3.54Å; V46-L51 HydrophobicContact CG2-CG 4.13Å; L51-G53 PolarHBondContact O-N 3.47Å; L51-Q54 HydrophobicContact CB-CB 4.17Å; L51-Q54 HydrophobicContact CB-CG 4.12Å; L51-Q54 WeakPolarHBondContact O-CB 2.97Å; L51-Q54 PolarHBondContact O-N 3.28Å; L51-Q54 VanDerWaalsContact O-N 3.1Å; L51-L116 HydrophobicContact CD1-CD1 4.05Å; L51-Y119 HydrophobicContact CB-CD2 4.06Å; L51-Y119 HydrophobicContact CB-CE2 4.13Å; L51-Y119 HydrophobicContact CB-CG 4.35Å; L51-Y119 HydrophobicContact CD1-CD1 4.1Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; L51-Y119 HydrophobicContact CD2-CD1 4.26Å; L51-Y119 HydrophobicContact CD2-CE1 4.02Å; L51-Y137 HydrophobicContact CD1-CE2 3.75Å
52	E	84.9	Confident	92.9	Very high	167 Å²	167	60.2 Å²	60.2	78%	0.78	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	134.7	-178	-168.9	-172.7	167.4	0	0	111.8	Q54 Y119	E52-Q54 PolarHBondContact O-N 3.09Å; E52-Y119 WeakPolarHBondContact O-CE2 3.49Å
53	G	84.6	Confident	92.9	Very high	68 Å²	68	60.4 Å²	60.4	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-6.4	-179.7	0	0	0	0	0	115.2	L51	L51-G53 PolarHBondContact O-N 3.47Å
54	Q	88.1	Confident	92.9	Very high	18 Å²	18	66.4 Å²	66.4	8%	0.084	35%	0.346	C	S	.	.	S	Bend	trans	-99.6	139.3	175.1	-58.7	-56.5	-51.6	0	0	110.9	L51 E52 Y119 Y122 Y137	L51-Q54 HydrophobicContact CB-CB 4.17Å; L51-Q54 HydrophobicContact CB-CG 4.12Å; L51-Q54 WeakPolarHBondContact O-CB 2.97Å; L51-Q54 PolarHBondContact O-N 3.28Å; L51-Q54 VanDerWaalsContact O-N 3.1Å; E52-Q54 PolarHBondContact O-N 3.09Å; Q54-Y119 HydrophobicContact CG-CD2 3.99Å; Q54-Y119 HydrophobicContact CG-CG 4.45Å; Q54-Y119 PolarHBondContact NE2-O 3.17Å; Q54-Y122 PolarHBondContact NE2-O 2.87Å; Q54-Y137 WeakPolarHBondContact CG-OH 3.31Å; Q54-Y137 PolarHBondContact OE1-OH 2.04Å
55	P	88.3	Confident	92.9	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.026	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-71.6	153.4	176.4	29.2	-32.8	0	0	0	111.3	A57 F124 F125 Y180 V182 Y186	P55-A57 PolarHBondContact O-N 2.8Å; P55-F124 VanDerWaalsContact CD-CG 3.46Å; P55-F124 HydrophobicContact CG-CB 3.95Å; P55-F124 HydrophobicContact CG-CD1 3.29Å; P55-F124 HydrophobicContact CG-CD2 3.75Å; P55-F124 HydrophobicContact CG-CE1 3.59Å; P55-F124 HydrophobicContact CG-CE2 4.03Å; P55-F124 HydrophobicContact CG-CG 3.37Å; P55-F124 HydrophobicContact CG-CZ 3.94Å; P55-F125 HydrophobicContact CB-CZ 4.07Å; P55-F125 HydrophobicContact CG-CZ 4.24Å; P55-Y180 WeakPolarHBondContact CD-OH 3.49Å; P55-Y180 HydrophobicContact CG-CE2 4.23Å; P55-Y180 VanDerWaalsContact O-CE2 3.31Å; P55-Y180 WeakPolarHBondContact O-CE2 3.25Å; P55-Y180 PolarHBondContact O-OH 3.1Å; P55-V182 HydrophobicContact CB-CG1 3.76Å; P55-V182 HydrophobicContact CB-CG2 3.98Å; P55-V182 HydrophobicContact CG-CG1 4.46Å; P55-V182 HydrophobicContact CG-CG2 3.78Å; P55-Y186 HydrophobicContact CB-CD1 4.2Å; P55-Y186 HydrophobicContact CB-CD2 4.41Å; P55-Y186 HydrophobicContact CB-CE1 3.76Å; P55-Y186 HydrophobicContact CB-CE2 3.93Å; P55-Y186 HydrophobicContact CB-CG 4.47Å
56	I	88.4	Confident	92.9	Very high	58 Å²	58	65.9 Å²	65.9	30%	0.297	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66.7	126.7	179	-60.6	172.6	0	0	0	108.9	V46 M47 V182 K183 Y186	V46-I56 WeakPolarHBondContact O-CA 3.29Å; M47-I56 WeakPolarHBondContact O-CG2 3.22Å; I56-V182 CarbonylContact O-C 3.6Å; I56-V182 WeakPolarHBondContact O-CA 3.48Å; I56-V182 WeakPolarHBondContact O-CG1 3.49Å; I56-K183 HydrophobicContact CB-CB 4.27Å; I56-K183 HydrophobicContact CG2-CB 3.89Å; I56-K183 HydrophobicContact CG2-CD 4.16Å; I56-K183 PolarHBondContact O-N 3.39Å; I56-Y186 WeakPolarHBondContact CG1-OH 3.45Å; I56-Y186 PolarHBondContact N-OH 3.38Å
57	A	91.7	Very high	93	Very high	2 Å²	2	71 Å²	71	2%	0.017	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-71.2	142.2	174.6	0	0	0	0	0	112	V46 M47 P55 I60 Y180 S181	V46-A57 HydrophobicContact CG1-CB 3.67Å; V46-A57 PolarHBondContact O-N 2.82Å; V46-A57 VanDerWaalsContact O-N 3.15Å; M47-A57 HydrophobicContact CG-CB 4.1Å; P55-A57 PolarHBondContact O-N 2.8Å; A57-I60 HydrophobicContact CB-CD1 3.47Å; A57-I60 VanDerWaalsContact CB-CD1 3.47Å; A57-I60 HydrophobicContact CB-CG1 3.59Å; A57-Y180 HydrophobicContact CB-CD2 3.43Å; A57-Y180 VanDerWaalsContact CB-CD2 3.43Å; A57-Y180 HydrophobicContact CB-CE2 3.84Å; A57-Y180 HydrophobicContact CB-CG 3.94Å; A57-S181 CarbonylContact C-O 3.32Å; A57-S181 WeakPolarHBondContact CA-O 3.43Å
58	K	90.4	Very high	93.1	Very high	150 Å²	150	72.6 Å²	72.6	65%	0.652	37%	0.371	S	S	*	.	S	Bend	trans	-63.9	-49.6	174.2	-176.2	178.7	177.9	-177.7	0	110.7	S181	K58-S181 PolarHBondContact N-O 2.92Å
59	S	90.8	Very high	93.2	Very high	57 Å²	57	67 Å²	67	40%	0.399	35%	0.345	S	S	.	.			trans	-159.8	139.7	177.4	-173.8	0	0	0	0	108.3	E143	S59-E143 VanDerWaalsContact O-OE1 3.13Å
60	I	95	Very high	93.6	Very high	7 Å²	7	65.9 Å²	65.9	4%	0.036	33%	0.33	C	S	.	.			trans	-142.7	115.8	170.7	-62.9	-176.8	0	0	0	106.5	R43 V46 M47 A57 Y180	R43-I60 HydrophobicContact CB-CG2 3.76Å; R43-I60 HydrophobicContact CG-CG2 3.86Å; V46-I60 HydrophobicContact CB-CD1 4.33Å; V46-I60 HydrophobicContact CG1-CD1 4.17Å; M47-I60 HydrophobicContact CG-CB 4.05Å; M47-I60 HydrophobicContact CG-CG1 4.27Å; M47-I60 HydrophobicContact SD-CB 3.92Å; M47-I60 PolarHBondContact SD-N 3.21Å; M47-I60 VanDerWaalsContact SD-N 3.45Å; A57-I60 HydrophobicContact CB-CD1 3.47Å; A57-I60 VanDerWaalsContact CB-CD1 3.47Å; A57-I60 HydrophobicContact CB-CG1 3.59Å; I60-Y180 HydrophobicContact CD1-CD1 3.95Å; I60-Y180 HydrophobicContact CD1-CG 3.8Å
61	K	96.3	Very high	93.6	Very high	150 Å²	150	64.2 Å²	64.2	65%	0.652	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-69.3	146.4	-179.8	-66.6	-176.9	-179.5	-179.4	0	110.9	R43	R43-K61 PolarHBondContact NE-O 2.71Å; R43-K61 PolarHBondContact NH2-O 3.46Å
62	P	98	Very high	93.9	Very high	97 Å²	97	66.5 Å²	66.5	63%	0.63	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-61.4	144.7	169.3	28.1	-34.2	0	0	0	110	N40	N40-P62 WeakPolarHBondContact OD1-CA 3.03Å
63	L	98.7	Very high	94.4	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-72.5	147.5	170.9	-56.9	-179.8	0	0	0	109.5	L36 H39 N40 T145 T146 I148	L36-L63 HydrophobicContact CD1-CB 4.19Å; L36-L63 WeakPolarHBondContact CD1-O 3.31Å; H39-L63 HydrophobicContact CB-CD1 4.01Å; N40-L63 PolarHBondContact ND2-O 3.13Å; N40-L63 PolarHBondContact OD1-N 3.26Å; L63-T145 HydrophobicContact CD2-CG2 3.79Å; L63-T145 WeakPolarHBondContact CD2-O 3.39Å; L63-T146 WeakPolarHBondContact CA-O 3.15Å; L63-I148 HydrophobicContact CB-CB 4.45Å; L63-I148 HydrophobicContact CB-CG2 3.93Å; L63-I148 HydrophobicContact CD1-CB 4.03Å; L63-I148 HydrophobicContact CD1-CD1 4.25Å; L63-I148 HydrophobicContact CD1-CG2 4.18Å
64	K	98.4	Very high	95	Very high	128 Å²	128	55.9 Å²	55.9	56%	0.557	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	153.6	167.5	67.4	-172.9	-178	178.1	0	110.3	T146 D147 I148	K64-T146 PolarHBondContact N-O 2.88Å; K64-D147 WeakPolarHBondContact CE-OD1 3.14Å; K64-D147 WeakPolarHBondContact CE-OD2 3.32Å; K64-D147 IonicContact NZ-OD1 3.95Å; K64-D147 IonicContact NZ-OD2 3.93Å; K64-D147 CarbonylContact O-C 3.5Å; K64-D147 WeakPolarHBondContact O-CA 3.42Å; K64-I148 PolarHBondContact O-N 2.98Å
65	W	98.5	Very high	95.3	Very high	49 Å²	49	58.9 Å²	58.9	19%	0.186	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	142.1	178.4	-161.8	-93.5	0	0	0	111.8	M27 R32 L35 L36 E70 I148 C150	M27-W65 HydrophobicContact CE-CH2 3.71Å; M27-W65 HydrophobicContact CE-CZ2 3.54Å; R32-W65 HydrophobicContact CB-CH2 4.38Å; R32-W65 HydrophobicContact CB-CZ2 4.37Å; R32-W65 HydrophobicContact CG-CD2 3.56Å; R32-W65 VanDerWaalsContact CG-CE2 3.42Å; R32-W65 HydrophobicContact CG-CE3 3.82Å; R32-W65 HydrophobicContact CG-CG 4.14Å; R32-W65 HydrophobicContact CG-CH2 3.78Å; R32-W65 HydrophobicContact CG-CZ2 3.56Å; R32-W65 HydrophobicContact CG-CZ3 3.91Å; R32-W65 WeakPolarHBondContact O-CZ3 3.36Å; L35-W65 HydrophobicContact CB-CZ3 4.3Å; L36-W65 HydrophobicContact CB-CE3 4.04Å; L36-W65 HydrophobicContact CB-CZ3 4.3Å; L36-W65 HydrophobicContact CD1-CE3 4.38Å; L36-W65 HydrophobicContact CD2-CB 4.47Å; W65-E70 HydrophobicContact CZ2-CB 3.97Å; W65-E70 HydrophobicContact CZ2-CG 4.28Å; W65-E70 WeakPolarHBondContact CZ2-OE2 3.15Å; W65-E70 PolarHBondContact NE1-OE2 2.93Å; W65-I148 CarbonylContact C-O 2.87Å; W65-I148 WeakPolarHBondContact CA-O 3.32Å; W65-I148 HydrophobicContact CE3-CG2 4.04Å; W65-I148 HydrophobicContact CZ3-CG2 4.4Å; W65-C150 HydrophobicContact CH2-CB 3.71Å; W65-C150 VanDerWaalsContact CH2-N 3.28Å; W65-C150 HydrophobicContact CZ2-CB 4.41Å
66	N	98.2	Very high	95.6	Very high	35 Å²	35	59 Å²	59	19%	0.187	29%	0.285	C	S	.	.			trans	-131.9	118.6	176.9	-174.5	-63.8	0	0	0	110.6	E68 L69 E70 D147 I148	N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.13Å; N66-E68 PolarHBondContact OD1-N 2.93Å; N66-L69 HydrophobicContact CB-CB 4.21Å; N66-L69 HydrophobicContact CB-CD1 3.9Å; N66-L69 HydrophobicContact CB-CG 4.04Å; N66-L69 PolarHBondContact O-N 3.09Å; N66-L69 PolarHBondContact OD1-N 3.3Å; N66-L69 VanDerWaalsContact OD1-N 3.16Å; N66-E70 PolarHBondContact O-N 2.8Å; N66-E70 VanDerWaalsContact O-N 3.1Å; N66-D147 HydrophobicContact CB-CB 4.03Å; N66-D147 PolarHBondContact ND2-OD1 3.3Å; N66-I148 PolarHBondContact N-O 3.37Å
67	M	96.7	Very high	96	Very high	107 Å²	107	56.3 Å²	56.3	53%	0.527	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-29.7	-174	-64.8	-55	-63.1	0	0	113.6	E70 K71	M67-E70 PolarHBondContact O-N 3.48Å; M67-K71 WeakPolarHBondContact O-CB 2.97Å; M67-K71 PolarHBondContact O-N 3.11Å
68	E	96.7	Very high	96.1	Very high	96 Å²	96	58.2 Å²	58.2	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-74.2	-37.4	177.7	-65.9	-60.9	136.8	0	0	111.7	N66 E70 K71 K72 V92	N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.13Å; N66-E68 PolarHBondContact OD1-N 2.93Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-K72 PolarHBondContact O-N 3Å; E68-K72 VanDerWaalsContact O-N 3.11Å; E68-V92 HydrophobicContact CB-CG1 3.37Å; E68-V92 HydrophobicContact CB-CG2 4.37Å; E68-V92 HydrophobicContact CG-CG1 4.35Å
69	L	98.1	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-42.1	171.3	-68.1	179.9	0	0	0	111.2	N66 K72 A73 V92 F95 V98 D147 N167	N66-L69 HydrophobicContact CB-CB 4.21Å; N66-L69 HydrophobicContact CB-CD1 3.9Å; N66-L69 HydrophobicContact CB-CG 4.04Å; N66-L69 PolarHBondContact O-N 3.09Å; N66-L69 PolarHBondContact OD1-N 3.3Å; N66-L69 VanDerWaalsContact OD1-N 3.16Å; L69-K72 PolarHBondContact O-N 3.1Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.41Å; L69-V92 HydrophobicContact CD2-CB 4.12Å; L69-V92 HydrophobicContact CD2-CG1 4.35Å; L69-V92 HydrophobicContact CD2-CG2 3.99Å; L69-F95 HydrophobicContact CD1-CE2 3.93Å; L69-F95 HydrophobicContact CD1-CZ 4.21Å; L69-F95 HydrophobicContact CD2-CD2 4Å; L69-F95 HydrophobicContact CD2-CE2 4.05Å; L69-F95 HydrophobicContact CG-CD2 4.38Å; L69-F95 HydrophobicContact CG-CE2 3.91Å; L69-V98 HydrophobicContact CD2-CB 4.48Å; L69-V98 HydrophobicContact CD2-CG1 3.76Å; L69-V98 HydrophobicContact CD2-CG2 3.82Å; L69-D147 HydrophobicContact CD1-CB 3.83Å; L69-N167 HydrophobicContact CB-CB 4.1Å; L69-N167 HydrophobicContact CD2-CB 4.1Å; L69-N167 PolarHBondContact O-ND2 2.88Å
70	E	97.7	Very high	96.2	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-50.4	174.8	161.2	170.9	171.7	0	0	110.7	R32 W65 N66 M67 E68 K72 A73 Q74 C150	R32-E70 IonicContact CZ-OE1 3.64Å; R32-E70 IonicContact CZ-OE2 3.43Å; R32-E70 IonicContact NE-OE1 3.73Å; R32-E70 IonicContact NE-OE2 2.8Å; R32-E70 PolarHBondContact NE-OE2 2.94Å; R32-E70 IonicContact NH2-OE1 2.71Å; R32-E70 PolarHBondContact NH2-OE1 2.92Å; R32-E70 IonicContact NH2-OE2 3.22Å; R32-E70 PolarHBondContact NH2-OE2 3.43Å; W65-E70 HydrophobicContact CZ2-CB 3.97Å; W65-E70 HydrophobicContact CZ2-CG 4.28Å; W65-E70 WeakPolarHBondContact CZ2-OE2 3.15Å; W65-E70 PolarHBondContact NE1-OE2 2.93Å; N66-E70 PolarHBondContact O-N 2.8Å; N66-E70 VanDerWaalsContact O-N 3.1Å; M67-E70 PolarHBondContact O-N 3.48Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 2.81Å; E70-A73 CarbonylContact O-C 3.41Å; E70-A73 WeakPolarHBondContact O-CA 2.95Å; E70-A73 WeakPolarHBondContact O-CB 3.47Å; E70-A73 PolarHBondContact O-N 2.96Å; E70-Q74 WeakPolarHBondContact O-CB 3.39Å; E70-Q74 PolarHBondContact O-N 2.89Å; E70-C150 VanDerWaalsContact CG-O 3.31Å; E70-C150 WeakPolarHBondContact CG-O 3.46Å
71	K	95.9	Very high	95.8	Very high	126 Å²	126	61.5 Å²	61.5	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-44.4	179.3	-176.8	178.1	178.8	179.4	0	111.7	M67 E68 M75	M67-K71 WeakPolarHBondContact O-CB 2.97Å; M67-K71 PolarHBondContact O-N 3.11Å; E68-K71 PolarHBondContact O-N 3.19Å; K71-M75 WeakPolarHBondContact O-CG 3.44Å; K71-M75 PolarHBondContact O-N 3.38Å; K71-M75 VanDerWaalsContact O-N 3.14Å
72	K	95.8	Very high	95.2	Very high	60 Å²	60	58.6 Å²	58.6	26%	0.261	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-43.2	173.7	-71.3	-50.2	-159.9	150.5	0	112.8	E68 L69 E70 M75 L76 E89 K91 V92 N167	E68-K72 PolarHBondContact O-N 3Å; E68-K72 VanDerWaalsContact O-N 3.11Å; L69-K72 PolarHBondContact O-N 3.1Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 2.81Å; K72-M75 HydrophobicContact CB-CE 4.5Å; K72-M75 HydrophobicContact CD-CE 3.18Å; K72-M75 HydrophobicContact CG-CE 4.33Å; K72-M75 PolarHBondContact O-N 3.26Å; K72-L76 PolarHBondContact O-N 3.33Å; K72-E89 WeakPolarHBondContact CE-O 3.49Å; K72-E89 PolarHBondContact NZ-O 3.31Å; K72-K91 WeakPolarHBondContact CE-O 3.33Å; K72-V92 HydrophobicContact CB-CG2 4.29Å; K72-V92 HydrophobicContact CG-CG2 3.39Å; K72-N167 WeakPolarHBondContact CB-ND2 3.47Å
73	A	97.2	Very high	94.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-38.7	-179.2	0	0	0	0	0	111.9	L69 E70 L76 A77 V165 N167	L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.41Å; E70-A73 CarbonylContact O-C 3.41Å; E70-A73 WeakPolarHBondContact O-CA 2.95Å; E70-A73 WeakPolarHBondContact O-CB 3.47Å; E70-A73 PolarHBondContact O-N 2.96Å; A73-L76 PolarHBondContact O-N 3.07Å; A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 3.13Å; A73-V165 HydrophobicContact CB-CB 4.05Å; A73-V165 HydrophobicContact CB-CG1 3.84Å; A73-V165 WeakPolarHBondContact O-CB 3.23Å; A73-N167 WeakPolarHBondContact CA-ND2 3.27Å; A73-N167 HydrophobicContact CB-CB 4.44Å; A73-N167 PolarHBondContact N-ND2 3Å; A73-N167 VanDerWaalsContact N-ND2 3.12Å
74	Q	96.6	Very high	93.5	Very high	11 Å²	11	58.4 Å²	58.4	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-44.8	177.3	-168.1	61.2	51.8	0	0	110.9	E70 L76 A77 D78 V152	E70-Q74 WeakPolarHBondContact O-CB 3.39Å; E70-Q74 PolarHBondContact O-N 2.89Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 2.81Å; Q74-A77 WeakPolarHBondContact O-CA 3.36Å; Q74-A77 WeakPolarHBondContact O-CB 3.07Å; Q74-A77 PolarHBondContact O-N 2.97Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.28Å; Q74-D78 PolarHBondContact NE2-OD1 2.88Å; Q74-D78 PolarHBondContact NE2-OD2 2.68Å; Q74-D78 PolarHBondContact O-N 3.21Å; Q74-V152 PolarHBondContact NE2-O 2.61Å; Q74-V152 PolarHBondContact OE1-O 2.73Å
75	M	94.8	Very high	93	Very high	81 Å²	81	53.5 Å²	53.5	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-54.4	-43.9	174.8	-74.7	-172.5	-62.7	0	0	112.9	K71 K72 T79	K71-M75 WeakPolarHBondContact O-CG 3.44Å; K71-M75 PolarHBondContact O-N 3.38Å; K71-M75 VanDerWaalsContact O-N 3.14Å; K72-M75 HydrophobicContact CB-CE 4.5Å; K72-M75 HydrophobicContact CD-CE 3.18Å; K72-M75 HydrophobicContact CG-CE 4.33Å; K72-M75 PolarHBondContact O-N 3.26Å; M75-T79 WeakPolarHBondContact O-CG2 3.16Å
76	L	94.1	Very high	92.6	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-68	-43.5	173.9	175.8	61.4	0	0	0	111.7	K72 A73 Q74 D78 T79 D85 V165	K72-L76 PolarHBondContact O-N 3.33Å; A73-L76 PolarHBondContact O-N 3.07Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 2.81Å; L76-D78 VanDerWaalsContact C-N 3.27Å; L76-D78 PolarHBondContact O-N 3.37Å; L76-T79 PolarHBondContact O-N 2.99Å; L76-T79 PolarHBondContact O-OG1 3.41Å; L76-D85 WeakPolarHBondContact CB-OD2 3.18Å; L76-D85 HydrophobicContact CD2-CB 4.36Å; L76-D85 WeakPolarHBondContact CD2-OD2 3.12Å; L76-V165 HydrophobicContact CB-CG1 4.48Å; L76-V165 HydrophobicContact CB-CG2 4.31Å; L76-V165 HydrophobicContact CD2-CG1 3.9Å; L76-V165 HydrophobicContact CD2-CG2 4Å; L76-V165 HydrophobicContact CG-CG2 4.03Å
77	A	95.7	Very high	92.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-45.9	-179.8	0	0	0	0	0	111.2	A73 Q74 T79 C80 A153 S163 V165	A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 3.13Å; Q74-A77 WeakPolarHBondContact O-CA 3.36Å; Q74-A77 WeakPolarHBondContact O-CB 3.07Å; Q74-A77 PolarHBondContact O-N 2.97Å; A77-T79 VanDerWaalsContact C-N 3.25Å; A77-T79 PolarHBondContact O-N 3.49Å; A77-C80 PolarHBondContact O-N 3.36Å; A77-C80 VanDerWaalsContact O-N 3.08Å; A77-A153 HydrophobicContact CB-CB 3.91Å; A77-A153 VanDerWaalsContact O-CB 3.25Å; A77-A153 WeakPolarHBondContact O-CB 3.09Å; A77-S163 WeakPolarHBondContact O-CB 3.03Å; A77-S163 PolarHBondContact O-OG 2.92Å; A77-V165 HydrophobicContact CB-CG2 3.95Å
78	D	94.3	Very high	91.9	Very high	42 Å²	42	57.5 Å²	57.5	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-20.9	-176.9	-63.4	-37.8	0	0	0	114.1	H24 Q74 L76 C80 A153	H24-D78 VanDerWaalsContact CB-OD2 3.27Å; H24-D78 WeakPolarHBondContact CB-OD2 3.45Å; H24-D78 IonicContact CD2-OD2 3.01Å; H24-D78 PolarHBondContact CD2-OD2 3.1Å; H24-D78 IonicContact CG-OD2 3.42Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.28Å; Q74-D78 PolarHBondContact NE2-OD1 2.88Å; Q74-D78 PolarHBondContact NE2-OD2 2.68Å; Q74-D78 PolarHBondContact O-N 3.21Å; L76-D78 VanDerWaalsContact C-N 3.27Å; L76-D78 PolarHBondContact O-N 3.37Å; D78-C80 PolarHBondContact O-N 2.75Å; D78-A153 WeakPolarHBondContact OD1-CB 3.4Å
79	T	92.2	Very high	91.6	Very high	82 Å²	82	57.9 Å²	57.9	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.6	173.4	69.5	0	0	0	0	112.8	M75 L76 A77 Y81	M75-T79 WeakPolarHBondContact O-CG2 3.16Å; L76-T79 PolarHBondContact O-N 2.99Å; L76-T79 PolarHBondContact O-OG1 3.41Å; A77-T79 VanDerWaalsContact C-N 3.25Å; A77-T79 PolarHBondContact O-N 3.49Å; T79-Y81 PolarHBondContact O-N 2.74Å; T79-Y81 WeakPolarHBondContact OG1-CB 3.49Å; T79-Y81 PolarHBondContact OG1-N 3.35Å; T79-Y81 VanDerWaalsContact OG1-N 3.12Å
80	C	91.4	Very high	91.4	Very high	45 Å²	45	60 Å²	60	30%	0.304	32%	0.316	S	S	.	.			trans	54.6	13.7	-169.6	-66.8	0	0	0	0	114.9	A77 D78 C155	A77-C80 PolarHBondContact O-N 3.36Å; A77-C80 VanDerWaalsContact O-N 3.08Å; D78-C80 PolarHBondContact O-N 2.75Å; C80-C155 WeakPolarHBondContact CA-SG 3.42Å; C80-C155 HydrophobicContact CB-CB 3.68Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CA 3.18Å; C80-C155 WeakPolarHBondContact SG-CB 3.32Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 3.49Å
81	Y	86.1	Confident	91.2	Very high	157 Å²	157	67 Å²	67	62%	0.616	35%	0.346	S	S	*	.			trans	-76.8	149.5	177	179.2	-102.5	0	0	0	111.6	T79 W102	T79-Y81 PolarHBondContact O-N 2.74Å; T79-Y81 WeakPolarHBondContact OG1-CB 3.49Å; T79-Y81 PolarHBondContact OG1-N 3.35Å; T79-Y81 VanDerWaalsContact OG1-N 3.12Å; Y81-W102 PolarHBondContact O-NE1 3.3Å
82	F	84.4	Confident	91.1	Very high	89 Å²	89	61.2 Å²	61.2	39%	0.39	32%	0.321	S	S	.	.	S	Bend	trans	-94.1	104.4	179.7	-64.3	-7.7	0	0	0	110.7	W102 S158 P159 F160	F82-W102 HydrophobicContact CB-CH2 4.05Å; F82-W102 HydrophobicContact CB-CZ2 4.29Å; F82-W102 AromaticContact CD1-CH2 3.59Å; F82-W102 HydrophobicContact CD1-CH2 3.59Å; F82-W102 AromaticContact CD1-CZ2 3.53Å; F82-W102 HydrophobicContact CD1-CZ2 3.53Å; F82-W102 HydrophobicContact CE1-CH2 4.26Å; F82-W102 HydrophobicContact CE1-CZ2 4.25Å; F82-W102 AromaticContact CG-CH2 3.9Å; F82-W102 HydrophobicContact CG-CH2 3.9Å; F82-W102 HydrophobicContact CG-CZ2 4.18Å; F82-S158 VanDerWaalsContact CE1-OG 3.29Å; F82-S158 WeakPolarHBondContact CE1-OG 3.41Å; F82-S158 WeakPolarHBondContact CZ-OG 3.39Å; F82-P159 HydrophobicContact CE2-CG 4.05Å; F82-P159 HydrophobicContact CZ-CG 3.8Å; F82-F160 HydrophobicContact CD1-CD2 4.3Å; F82-F160 HydrophobicContact CD1-CE2 4.27Å; F82-F160 HydrophobicContact CD2-CE2 4Å; F82-F160 AromaticContact CE1-CD2 3.58Å; F82-F160 HydrophobicContact CE1-CD2 3.58Å; F82-F160 AromaticContact CE1-CE2 3.83Å; F82-F160 HydrophobicContact CE1-CE2 3.83Å; F82-F160 HydrophobicContact CE2-CD2 4.02Å; F82-F160 AromaticContact CE2-CE2 3.51Å; F82-F160 HydrophobicContact CE2-CE2 3.51Å; F82-F160 HydrophobicContact CE2-CZ 4.49Å; F82-F160 HydrophobicContact CG-CE2 4.36Å; F82-F160 AromaticContact CZ-CD2 3.39Å; F82-F160 HydrophobicContact CZ-CD2 3.39Å; F82-F160 AromaticContact CZ-CE2 3.4Å; F82-F160 HydrophobicContact CZ-CE2 3.4Å; F82-F160 VanDerWaalsContact CZ-CE2 3.4Å
83	G	76.8	Confident	91	Very high	13 Å²	13	63.6 Å²	63.6	13%	0.134	34%	0.342	C	S	.	.	S	Bend	trans	150	171.8	172.2	0	0	0	0	0	112.1
84	P	83.9	Confident	90.8	Very high	87 Å²	87	67.6 Å²	67.6	57%	0.565	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-80.6	156.1	173.3	35	-34.1	0	0	0	111.5
85	D	87	Confident	90.8	Very high	25 Å²	25	68.6 Å²	68.6	13%	0.134	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64.4	155.4	161.9	-74.1	-43.6	0	0	0	111.4	L76 E89 R90 Q100	L76-D85 WeakPolarHBondContact CB-OD2 3.18Å; L76-D85 HydrophobicContact CD2-CB 4.36Å; L76-D85 WeakPolarHBondContact CD2-OD2 3.12Å; D85-E89 HydrophobicContact CB-CB 3.87Å; D85-R90 HydrophobicContact CB-CG 3.44Å; D85-R90 VanDerWaalsContact CB-CG 3.44Å; D85-R90 PolarHBondContact O-NE 2.87Å; D85-Q100 PolarHBondContact OD2-NE2 3.45Å
86	S	90.7	Very high	90.6	Very high	53 Å²	53	71.6 Å²	71.6	37%	0.371	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.8	165.1	162.6	72.7	0	0	0	0	111.9	I88 E89 R90	S86-I88 PolarHBondContact O-N 3.35Å; S86-I88 PolarHBondContact OG-N 2.92Å; S86-E89 WeakPolarHBondContact CA-OE2 3.26Å; S86-E89 WeakPolarHBondContact CB-OE2 3.41Å; S86-E89 PolarHBondContact N-OE2 3.29Å; S86-E89 VanDerWaalsContact OG-CD 3.25Å; S86-E89 WeakPolarHBondContact OG-CG 3.47Å; S86-E89 PolarHBondContact OG-N 3.13Å; S86-E89 PolarHBondContact OG-OE2 3.01Å; S86-R90 WeakPolarHBondContact O-CG 3.47Å; S86-R90 PolarHBondContact O-N 3.49Å; S86-R90 PolarHBondContact O-NE 3.15Å; S86-R90 VanDerWaalsContact O-NE 3.08Å
87	A	89.6	Confident	90.6	Very high	76 Å²	76	74.4 Å²	74.4	63%	0.628	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.8	174.7	0	0	0	0	0	112.9
88	I	90.3	Very high	90.6	Very high	146 Å²	146	75.2 Å²	75.2	75%	0.749	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-45.1	-179.1	-64.9	171.2	0	0	0	110.2	S86 R90 K91	S86-I88 PolarHBondContact O-N 3.35Å; S86-I88 PolarHBondContact OG-N 2.92Å; I88-R90 VanDerWaalsContact C-N 3.27Å; I88-R90 PolarHBondContact O-N 3.26Å; I88-K91 VanDerWaalsContact O-CB 3.29Å; I88-K91 WeakPolarHBondContact O-CB 3.29Å; I88-K91 PolarHBondContact O-N 2.73Å
89	E	91.3	Very high	90.7	Very high	104 Å²	104	73.6 Å²	73.6	49%	0.486	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.9	-179.6	-75	156.2	151.9	0	0	112.4	K72 D85 S86 K91	K72-E89 WeakPolarHBondContact CE-O 3.49Å; K72-E89 PolarHBondContact NZ-O 3.31Å; D85-E89 HydrophobicContact CB-CB 3.87Å; S86-E89 WeakPolarHBondContact CA-OE2 3.26Å; S86-E89 WeakPolarHBondContact CB-OE2 3.41Å; S86-E89 PolarHBondContact N-OE2 3.29Å; S86-E89 VanDerWaalsContact OG-CD 3.25Å; S86-E89 WeakPolarHBondContact OG-CG 3.47Å; S86-E89 PolarHBondContact OG-N 3.13Å; S86-E89 PolarHBondContact OG-OE2 3.01Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 3.2Å
90	R	92.7	Very high	90.9	Very high	45 Å²	45	70.6 Å²	70.6	17%	0.17	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6	178.7	-65.1	-179.1	-73.8	171.8	-4.6	115.1	D85 S86 I88 V92 V98 Q100	D85-R90 HydrophobicContact CB-CG 3.44Å; D85-R90 VanDerWaalsContact CB-CG 3.44Å; D85-R90 PolarHBondContact O-NE 2.87Å; S86-R90 WeakPolarHBondContact O-CG 3.47Å; S86-R90 PolarHBondContact O-N 3.49Å; S86-R90 PolarHBondContact O-NE 3.15Å; S86-R90 VanDerWaalsContact O-NE 3.08Å; I88-R90 VanDerWaalsContact C-N 3.27Å; I88-R90 PolarHBondContact O-N 3.26Å; R90-V92 PolarHBondContact O-N 2.78Å; R90-V98 HydrophobicContact CB-CB 4.05Å; R90-V98 HydrophobicContact CB-CG1 4.03Å; R90-V98 PolarHBondContact NH1-O 3.42Å; R90-V98 WeakPolarHBondContact O-CB 3.47Å; R90-V98 WeakPolarHBondContact O-CG2 3.34Å; R90-Q100 VanDerWaalsContact NH1-CB 3.26Å
91	K	94.4	Very high	91.2	Very high	158 Å²	158	68.5 Å²	68.5	69%	0.687	39%	0.39	S	S	*	.			trans	-61.7	127.7	-175.1	-172	179.5	179.3	-175.9	0	110.5	K72 I88 E89	K72-K91 WeakPolarHBondContact CE-O 3.33Å; I88-K91 VanDerWaalsContact O-CB 3.29Å; I88-K91 WeakPolarHBondContact O-CB 3.29Å; I88-K91 PolarHBondContact O-N 2.73Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 3.2Å
92	V	94.3	Very high	91.7	Very high	3 Å²	3	63 Å²	63	2%	0.018	37%	0.368	C	S	.	.			trans	-128.5	136.5	177.4	166.9	0	0	0	0	108.7	E68 L69 K72 R90 G94 F95 V98	E68-V92 HydrophobicContact CB-CG1 3.37Å; E68-V92 HydrophobicContact CB-CG2 4.37Å; E68-V92 HydrophobicContact CG-CG1 4.35Å; L69-V92 HydrophobicContact CD2-CB 4.12Å; L69-V92 HydrophobicContact CD2-CG1 4.35Å; L69-V92 HydrophobicContact CD2-CG2 3.99Å; K72-V92 HydrophobicContact CB-CG2 4.29Å; K72-V92 HydrophobicContact CG-CG2 3.39Å; R90-V92 PolarHBondContact O-N 2.78Å; V92-G94 PolarHBondContact O-N 2.85Å; V92-F95 HydrophobicContact CB-CD2 4.26Å; V92-F95 HydrophobicContact CG1-CD2 3.97Å; V92-F95 HydrophobicContact CG1-CE2 4.25Å; V92-F95 PolarHBondContact O-N 3.45Å; V92-V98 HydrophobicContact CB-CG2 4.43Å
93	P	93.2	Very high	92.2	Very high	110 Å²	110	59.1 Å²	59.1	71%	0.714	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	137.5	173.7	-26.4	35.2	0	0	0	112.1
94	G	93.8	Very high	93	Very high	84 Å²	84	58.6 Å²	58.6	87%	0.866	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-11.5	179.6	0	0	0	0	0	115.7	V92	V92-G94 PolarHBondContact O-N 2.85Å
95	F	95	Very high	93.6	Very high	33 Å²	33	54.5 Å²	54.5	15%	0.145	32%	0.321	C	S	.	.			trans	-118.3	132.2	173.6	-56.6	-71.2	0	0	0	111.5	L69 V92 N97 V98 D147 G169	L69-F95 HydrophobicContact CD1-CE2 3.93Å; L69-F95 HydrophobicContact CD1-CZ 4.21Å; L69-F95 HydrophobicContact CD2-CD2 4Å; L69-F95 HydrophobicContact CD2-CE2 4.05Å; L69-F95 HydrophobicContact CG-CD2 4.38Å; L69-F95 HydrophobicContact CG-CE2 3.91Å; V92-F95 HydrophobicContact CB-CD2 4.26Å; V92-F95 HydrophobicContact CG1-CD2 3.97Å; V92-F95 HydrophobicContact CG1-CE2 4.25Å; V92-F95 PolarHBondContact O-N 3.45Å; F95-N97 VanDerWaalsContact C-N 3.31Å; F95-V98 HydrophobicContact CB-CG2 3.98Å; F95-D147 HydrophobicContact CE1-CB 3.96Å; F95-D147 HydrophobicContact CE2-CB 4.47Å; F95-D147 HydrophobicContact CZ-CB 3.52Å; F95-G169 VanDerWaalsContact CD1-CA 3.43Å; F95-G169 VanDerWaalsContact CE1-C 3.45Å
96	T	91.4	Very high	93.9	Very high	143 Å²	143	56.2 Å²	56.2	88%	0.877	34%	0.335	S	S	*	.	S	Bend	trans	-72.7	-27.2	174.8	50.8	0	0	0	0	112.3
97	N	94.2	Very high	94.2	Very high	68 Å²	68	56.3 Å²	56.3	36%	0.364	33%	0.333	S	S	.	.			trans	-149.5	147.7	175	69.9	-51.9	0	0	0	110.4	F95 P170 G171	F95-N97 VanDerWaalsContact C-N 3.31Å; N97-P170 WeakPolarHBondContact O-CA 3.39Å; N97-P170 WeakPolarHBondContact OD1-CB 3.15Å; N97-G171 WeakPolarHBondContact ND2-CA 3.18Å; N97-G171 PolarHBondContact ND2-N 3.18Å; N97-G171 PolarHBondContact ND2-O 3.13Å; N97-G171 PolarHBondContact O-N 2.98Å
98	V	96.3	Very high	94.6	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.097	31%	0.307	C	S	.	.			trans	-123.2	122.3	177.2	175.2	0	0	0	0	109.2	L69 R90 V92 F95 N167 Y168	L69-V98 HydrophobicContact CD2-CB 4.48Å; L69-V98 HydrophobicContact CD2-CG1 3.76Å; L69-V98 HydrophobicContact CD2-CG2 3.82Å; R90-V98 HydrophobicContact CB-CB 4.05Å; R90-V98 HydrophobicContact CB-CG1 4.03Å; R90-V98 PolarHBondContact NH1-O 3.42Å; R90-V98 WeakPolarHBondContact O-CB 3.47Å; R90-V98 WeakPolarHBondContact O-CG2 3.34Å; V92-V98 HydrophobicContact CB-CG2 4.43Å; F95-V98 HydrophobicContact CB-CG2 3.98Å; V98-N167 HydrophobicContact CG1-CB 3.73Å; V98-Y168 CarbonylContact C-O 3.51Å; V98-Y168 WeakPolarHBondContact CA-O 3.29Å
99	G	96.1	Very high	95	Very high	8 Å²	8	49.5 Å²	49.5	8%	0.082	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	161.5	172.3	0	0	0	0	0	110.4	N167 Y168	G99-N167 CarbonylContact O-C 3.59Å; G99-N167 VanDerWaalsContact O-CA 3.29Å; G99-N167 WeakPolarHBondContact O-CA 3.48Å; G99-Y168 PolarHBondContact N-O 2.92Å; G99-Y168 PolarHBondContact O-N 3.26Å
100	Q	96.8	Very high	95.3	Very high	19 Å²	19	48 Å²	48	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.3	177.4	-173.3	177.9	78.1	0	0	111.4	D85 R90 V165 C166 N167	D85-Q100 PolarHBondContact OD2-NE2 3.45Å; R90-Q100 VanDerWaalsContact NH1-CB 3.26Å; Q100-V165 HydrophobicContact CG-CG1 3.82Å; Q100-C166 CarbonylContact C-O 3.57Å; Q100-C166 VanDerWaalsContact CA-O 3.26Å; Q100-C166 WeakPolarHBondContact CA-O 3.39Å; Q100-N167 VanDerWaalsContact CG-OD1 3.31Å; Q100-N167 WeakPolarHBondContact CG-OD1 3.26Å; Q100-N167 PolarHBondContact NE2-OD1 3.02Å
101	N	97.2	Very high	95.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136	164.3	-70.3	-8.7	0	0	0	108.6	W115 H136 V165 C166 Y168	N101-W115 HydrophobicContact CB-CD2 3.86Å; N101-W115 HydrophobicContact CB-CE3 4.18Å; N101-W115 HydrophobicContact CB-CG 4.41Å; N101-W115 HydrophobicContact CB-CH2 4.03Å; N101-W115 HydrophobicContact CB-CZ2 3.7Å; N101-W115 HydrophobicContact CB-CZ3 4.26Å; N101-H136 PolarHBondContact ND2-O 3.08Å; N101-H136 VanDerWaalsContact ND2-O 3.09Å; N101-H136 VanDerWaalsContact OD1-CA 3.31Å; N101-H136 WeakPolarHBondContact OD1-CA 3.23Å; N101-H136 PolarHBondContact OD1-CD2 3.03Å; N101-V165 WeakPolarHBondContact O-CA 3.24Å; N101-C166 PolarHBondContact N-O 3.08Å; N101-C166 PolarHBondContact O-N 3.27Å; N101-Y168 HydrophobicContact CB-CE2 3.82Å; N101-Y168 PolarHBondContact ND2-OH 3.18Å
102	W	95.9	Very high	95.7	Very high	41 Å²	41	38.6 Å²	38.6	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	174.4	179.8	100.8	0	0	0	109.3	Y81 F82 W115 F160 S163 I164	Y81-W102 PolarHBondContact O-NE1 3.3Å; F82-W102 HydrophobicContact CB-CH2 4.05Å; F82-W102 HydrophobicContact CB-CZ2 4.29Å; F82-W102 AromaticContact CD1-CH2 3.59Å; F82-W102 HydrophobicContact CD1-CH2 3.59Å; F82-W102 AromaticContact CD1-CZ2 3.53Å; F82-W102 HydrophobicContact CD1-CZ2 3.53Å; F82-W102 HydrophobicContact CE1-CH2 4.26Å; F82-W102 HydrophobicContact CE1-CZ2 4.25Å; F82-W102 AromaticContact CG-CH2 3.9Å; F82-W102 HydrophobicContact CG-CH2 3.9Å; F82-W102 HydrophobicContact CG-CZ2 4.18Å; W102-W115 PolarHBondContact O-NE1 3.36Å; W102-F160 HydrophobicContact CH2-CD2 4.14Å; W102-F160 HydrophobicContact CH2-CE2 4.03Å; W102-S163 PolarHBondContact NE1-OG 2.96Å; W102-I164 CarbonylContact C-O 3.35Å; W102-I164 WeakPolarHBondContact CA-O 3.4Å
103	A	95.2	Very high	95.9	Very high	7 Å²	7	42.3 Å²	42.3	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.2	170	0	0	0	0	0	110.5	W115 I164	A103-W115 HydrophobicContact CB-CZ2 3.72Å; A103-I164 PolarHBondContact N-O 3.33Å; A103-I164 WeakPolarHBondContact O-CB 3.11Å; A103-I164 PolarHBondContact O-N 2.72Å
104	G	94.2	Very high	96.1	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.9	154.5	0	0	0	0	0	110.3	R114 F160 L162	G104-R114 PolarHBondContact O-NH1 3.29Å; G104-F160 VanDerWaalsContact C-CB 3.48Å; G104-F160 VanDerWaalsContact CA-CB 3.45Å; G104-L162 VanDerWaalsContact CA-O 3.31Å; G104-L162 WeakPolarHBondContact CA-O 3.4Å
105	A	95.2	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	157.4	171.6	0	0	0	0	0	112.5	T107 I110 G111 F160 L162 I164	A105-T107 WeakPolarHBondContact CB-O 3.46Å; A105-T107 PolarHBondContact O-N 3.18Å; A105-I110 HydrophobicContact CB-CB 4.08Å; A105-I110 HydrophobicContact CB-CG2 3.87Å; A105-G111 VanDerWaalsContact CB-N 3.34Å; A105-F160 CarbonylContact C-O 3.54Å; A105-L162 PolarHBondContact N-O 3.13Å; A105-L162 WeakPolarHBondContact O-CB 3.39Å; A105-L162 WeakPolarHBondContact O-CG 3.31Å; A105-L162 PolarHBondContact O-N 2.97Å; A105-I164 HydrophobicContact CB-CD1 4.09Å
106	S	95.3	Very high	96.4	Very high	61 Å²	61	38.5 Å²	38.5	43%	0.427	21%	0.206	S	C	.	.	S	Bend	trans	-66.9	-21.1	179.3	55.2	0	0	0	0	113.7	I110 F160	S106-I110 VanDerWaalsContact OG-CD1 3.3Å; S106-I110 WeakPolarHBondContact OG-CD1 3.34Å; S106-F160 WeakPolarHBondContact CA-O 3.47Å; S106-F160 PolarHBondContact N-O 2.68Å; S106-F160 VanDerWaalsContact N-O 3.16Å
107	T	96.4	Very high	96.7	Very high	55 Å²	55	34.1 Å²	34.1	34%	0.337	18%	0.177	S	C	.	.	S	Bend	trans	-145	158.5	174.4	67.9	0	0	0	0	110.3	A105 D109 I110 G111	A105-T107 WeakPolarHBondContact CB-O 3.46Å; A105-T107 PolarHBondContact O-N 3.18Å; T107-D109 VanDerWaalsContact C-N 3.28Å; T107-D109 PolarHBondContact O-N 3.26Å; T107-I110 PolarHBondContact O-N 3.25Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.43Å; T107-I110 PolarHBondContact OG1-N 2.94Å; T107-G111 PolarHBondContact O-N 3Å; T107-G111 VanDerWaalsContact O-N 3.09Å
108	V	97.6	Very high	96.8	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-40.5	174.3	172.2	0	0	0	0	112	T31 L35 L38 I110 G111 F112 V152 L162 I164	T31-V108 HydrophobicContact CG2-CG2 3.95Å; L35-V108 HydrophobicContact CD1-CG1 4.27Å; L35-V108 HydrophobicContact CD2-CG1 3.46Å; L35-V108 VanDerWaalsContact CD2-CG1 3.46Å; L35-V108 HydrophobicContact CG-CG1 3.7Å; L38-V108 HydrophobicContact CD1-CG1 4.48Å; V108-I110 PolarHBondContact O-N 2.89Å; V108-G111 PolarHBondContact O-N 3.09Å; V108-F112 WeakPolarHBondContact O-CB 3.39Å; V108-F112 PolarHBondContact O-N 3.12Å; V108-V152 HydrophobicContact CG2-CG1 4.32Å; V108-V152 HydrophobicContact CG2-CG2 4.15Å; V108-L162 HydrophobicContact CG2-CD1 4.48Å; V108-I164 HydrophobicContact CG2-CD1 4.48Å
109	D	98.3	Very high	96.7	Very high	66 Å²	66	32.6 Å²	32.6	35%	0.353	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-44.2	179.6	-54.7	-100.4	0	0	0	112	K34 T107 Q113	K34-D109 WeakPolarHBondContact CE-OD1 3.33Å; K34-D109 WeakPolarHBondContact CE-OD2 3.3Å; K34-D109 IonicContact NZ-OD1 2.9Å; K34-D109 PolarHBondContact NZ-OD1 3.04Å; K34-D109 IonicContact NZ-OD2 2.64Å; K34-D109 PolarHBondContact NZ-OD2 3.21Å; T107-D109 VanDerWaalsContact C-N 3.28Å; T107-D109 PolarHBondContact O-N 3.26Å; D109-Q113 WeakPolarHBondContact O-CB 3.43Å; D109-Q113 PolarHBondContact O-N 3.2Å
110	I	97.9	Very high	96.5	Very high	72 Å²	72	36.8 Å²	36.8	37%	0.369	18%	0.181	S	C	.	.	H	α-helix	trans	-66.6	-42.7	178	-68.6	167.2	0	0	0	110.1	A105 S106 T107 V108 Q113 R114	A105-I110 HydrophobicContact CB-CB 4.08Å; A105-I110 HydrophobicContact CB-CG2 3.87Å; S106-I110 VanDerWaalsContact OG-CD1 3.3Å; S106-I110 WeakPolarHBondContact OG-CD1 3.34Å; T107-I110 PolarHBondContact O-N 3.25Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.43Å; T107-I110 PolarHBondContact OG1-N 2.94Å; V108-I110 PolarHBondContact O-N 2.89Å; I110-Q113 PolarHBondContact O-N 3.35Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.32Å
111	G	97.3	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-50.5	176.8	0	0	0	0	0	112.1	A105 T107 V108 Q113 R114 W115	A105-G111 VanDerWaalsContact CB-N 3.34Å; T107-G111 PolarHBondContact O-N 3Å; T107-G111 VanDerWaalsContact O-N 3.09Å; V108-G111 PolarHBondContact O-N 3.09Å; G111-Q113 PolarHBondContact O-N 3.01Å; G111-R114 WeakPolarHBondContact O-CB 3.2Å; G111-R114 PolarHBondContact O-N 2.99Å; G111-W115 PolarHBondContact O-N 3.08Å
112	F	98.6	Very high	95.6	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-44.3	176.8	179.5	-94.6	0	0	0	112.2	L38 H39 A42 V108 R114 W115 L116 I140	L38-F112 HydrophobicContact CB-CD1 3.81Å; L38-F112 HydrophobicContact CB-CD2 3.96Å; L38-F112 HydrophobicContact CB-CE1 3.73Å; L38-F112 HydrophobicContact CB-CE2 3.89Å; L38-F112 HydrophobicContact CB-CG 3.93Å; L38-F112 HydrophobicContact CB-CZ 3.77Å; L38-F112 HydrophobicContact CD1-CB 4Å; L38-F112 HydrophobicContact CD1-CD1 4.08Å; L38-F112 HydrophobicContact CD1-CG 3.93Å; L38-F112 HydrophobicContact CD2-CD1 3.98Å; L38-F112 HydrophobicContact CD2-CE1 4.18Å; L38-F112 HydrophobicContact CG-CD1 4.18Å; L38-F112 HydrophobicContact CG-CE1 4.44Å; L38-F112 HydrophobicContact CG-CG 4.39Å; L38-F112 WeakPolarHBondContact O-CZ 3.31Å; H39-F112 AromaticContact CD2-CE2 3.94Å; H39-F112 AromaticContact CE1-CD2 3.73Å; H39-F112 AromaticContact CE1-CE2 3.61Å; H39-F112 AromaticContact CG-CE2 3.81Å; H39-F112 AromaticContact ND1-CD2 3.99Å; H39-F112 AromaticContact ND1-CE2 3.6Å; H39-F112 AromaticContact NE2-CE2 3.8Å; A42-F112 HydrophobicContact CB-CZ 4.04Å; V108-F112 WeakPolarHBondContact O-CB 3.39Å; V108-F112 PolarHBondContact O-N 3.12Å; F112-R114 VanDerWaalsContact C-N 3.25Å; F112-R114 PolarHBondContact O-N 3.2Å; F112-W115 HydrophobicContact CD2-CE3 4.08Å; F112-W115 HydrophobicContact CD2-CZ3 4.47Å; F112-W115 WeakPolarHBondContact O-CB 3.34Å; F112-W115 PolarHBondContact O-N 3.21Å; F112-W115 VanDerWaalsContact O-N 3.13Å; F112-L116 HydrophobicContact CE1-CB 4.24Å; F112-L116 HydrophobicContact CE1-CD2 4.01Å; F112-L116 PolarHBondContact O-N 2.77Å; F112-I140 HydrophobicContact CE2-CD1 3.95Å; F112-I140 HydrophobicContact CE2-CG1 4.46Å; F112-I140 HydrophobicContact CZ-CD1 4.34Å; F112-I140 HydrophobicContact CZ-CG2 4.5Å
113	Q	98.3	Very high	95.2	Very high	81 Å²	81	38.3 Å²	38.3	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-30.1	-179.5	-170.1	60.1	48.5	0	0	112.1	D109 I110 G111 L116 N117	D109-Q113 WeakPolarHBondContact O-CB 3.43Å; D109-Q113 PolarHBondContact O-N 3.2Å; I110-Q113 PolarHBondContact O-N 3.35Å; G111-Q113 PolarHBondContact O-N 3.01Å; Q113-L116 PolarHBondContact O-N 2.8Å; Q113-N117 PolarHBondContact NE2-OD1 2.93Å; Q113-N117 WeakPolarHBondContact O-CB 3.2Å; Q113-N117 PolarHBondContact O-N 2.78Å; Q113-N117 PolarHBondContact O-ND2 3.16Å
114	R	97.2	Very high	94.9	Very high	128 Å²	128	38.1 Å²	38.1	48%	0.483	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-47	171.4	-75.1	170.3	179.5	-164.9	-3.2	111.3	G104 I110 G111 F112	G104-R114 PolarHBondContact O-NH1 3.29Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.32Å; G111-R114 WeakPolarHBondContact O-CB 3.2Å; G111-R114 PolarHBondContact O-N 2.99Å; F112-R114 VanDerWaalsContact C-N 3.25Å; F112-R114 PolarHBondContact O-N 3.2Å
115	W	97.7	Very high	94.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-46.7	175.1	-60.9	-29.7	0	0	0	112	N101 W102 A103 G111 F112 E118 H136 Y137 I140 I164 C166	N101-W115 HydrophobicContact CB-CD2 3.86Å; N101-W115 HydrophobicContact CB-CE3 4.18Å; N101-W115 HydrophobicContact CB-CG 4.41Å; N101-W115 HydrophobicContact CB-CH2 4.03Å; N101-W115 HydrophobicContact CB-CZ2 3.7Å; N101-W115 HydrophobicContact CB-CZ3 4.26Å; W102-W115 PolarHBondContact O-NE1 3.36Å; A103-W115 HydrophobicContact CB-CZ2 3.72Å; G111-W115 PolarHBondContact O-N 3.08Å; F112-W115 HydrophobicContact CD2-CE3 4.08Å; F112-W115 HydrophobicContact CD2-CZ3 4.47Å; F112-W115 WeakPolarHBondContact O-CB 3.34Å; F112-W115 PolarHBondContact O-N 3.21Å; F112-W115 VanDerWaalsContact O-N 3.13Å; W115-E118 WeakPolarHBondContact O-CG 3.11Å; W115-E118 PolarHBondContact O-N 3.16Å; W115-H136 HydrophobicContact CB-CB 3.64Å; W115-H136 AromaticContact CD1-CD2 3.99Å; W115-H136 AromaticContact CD1-CE1 3.98Å; W115-H136 AromaticContact CD1-CG 3.45Å; W115-H136 VanDerWaalsContact CD1-CG 3.45Å; W115-H136 AromaticContact CD1-ND1 3.49Å; W115-H136 HydrophobicContact CG-CB 3.7Å; W115-Y137 WeakPolarHBondContact O-CB 3.42Å; W115-Y137 PolarHBondContact O-N 2.8Å; W115-I140 HydrophobicContact CB-CD1 3.66Å; W115-I164 HydrophobicContact CH2-CG2 3.77Å; W115-I164 HydrophobicContact CZ2-CG2 4.39Å; W115-C166 HydrophobicContact CH2-CB 4.17Å; W115-C166 HydrophobicContact CZ3-CB 4.26Å
116	L	98.3	Very high	93.8	Very high	16 Å²	16	44 Å²	44	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-46.9	-179	-178.7	57.8	0	0	0	111.1	A42 L51 F112 Q113 E118 Y119 Y137	A42-L116 HydrophobicContact CB-CD1 3.85Å; A42-L116 HydrophobicContact CB-CD2 4.4Å; L51-L116 HydrophobicContact CD1-CD1 4.05Å; F112-L116 HydrophobicContact CE1-CB 4.24Å; F112-L116 HydrophobicContact CE1-CD2 4.01Å; F112-L116 PolarHBondContact O-N 2.77Å; Q113-L116 PolarHBondContact O-N 2.8Å; L116-E118 PolarHBondContact O-N 3.16Å; L116-Y119 HydrophobicContact CD1-CD1 4.34Å; L116-Y119 HydrophobicContact CG-CD1 4.32Å; L116-Y119 WeakPolarHBondContact O-CD1 3.43Å; L116-Y119 PolarHBondContact O-N 3.24Å; L116-Y137 HydrophobicContact CD1-CD2 4.19Å; L116-Y137 HydrophobicContact CD1-CE2 4.49Å
117	N	97.2	Very high	93.3	Very high	52 Å²	52	44.7 Å²	44.7	28%	0.278	21%	0.21	S	C	.	.	H	α-helix	trans	-57.6	-16.3	-176.5	-85.3	-25.8	0	0	0	114.6	Q113 Y119 K120	Q113-N117 PolarHBondContact NE2-OD1 2.93Å; Q113-N117 WeakPolarHBondContact O-CB 3.2Å; Q113-N117 PolarHBondContact O-N 2.78Å; Q113-N117 PolarHBondContact O-ND2 3.16Å; N117-Y119 PolarHBondContact O-N 3.14Å; N117-K120 WeakPolarHBondContact O-CB 3.37Å; N117-K120 WeakPolarHBondContact O-CG 3.49Å; N117-K120 PolarHBondContact O-N 2.94Å; N117-K120 VanDerWaalsContact O-N 3.11Å; N117-K120 VanDerWaalsContact OD1-CE 3.29Å; N117-K120 WeakPolarHBondContact OD1-CE 3.44Å; N117-K120 PolarHBondContact OD1-NZ 2.86Å
118	E	96.3	Very high	92.8	Very high	20 Å²	20	46 Å²	46	9%	0.093	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.6	-21.2	173	-54.7	-176.9	158.3	0	0	113	W115 L116 K120 N121 Y122 R133 C134 S135 H136 Y137	W115-E118 WeakPolarHBondContact O-CG 3.11Å; W115-E118 PolarHBondContact O-N 3.16Å; L116-E118 PolarHBondContact O-N 3.16Å; E118-K120 PolarHBondContact O-N 3.35Å; E118-K120 VanDerWaalsContact O-N 3.09Å; E118-N121 PolarHBondContact O-N 3.29Å; E118-Y122 PolarHBondContact O-N 3.31Å; E118-R133 VanDerWaalsContact CB-O 3.32Å; E118-R133 WeakPolarHBondContact CB-O 3.3Å; E118-R133 WeakPolarHBondContact CG-O 3.47Å; E118-C134 HydrophobicContact CB-CB 4.42Å; E118-C134 WeakPolarHBondContact OE2-CA 3.33Å; E118-S135 PolarHBondContact OE2-N 2.9Å; E118-H136 IonicContact OE1-CE1 3.63Å; E118-H136 IonicContact OE1-CG 3.54Å; E118-H136 IonicContact OE1-ND1 2.68Å; E118-H136 PolarHBondContact OE1-ND1 3.49Å; E118-H136 WeakPolarHBondContact OE2-CA 3.31Å; E118-H136 VanDerWaalsContact OE2-CB 3.26Å; E118-H136 WeakPolarHBondContact OE2-CB 3.32Å; E118-H136 IonicContact OE2-CG 3.7Å; E118-H136 PolarHBondContact OE2-N 3.02Å; E118-H136 IonicContact OE2-ND1 3.64Å; E118-Y137 PolarHBondContact OE2-N 3.45Å; E118-Y137 VanDerWaalsContact OE2-N 3.1Å
119	Y	94.4	Very high	92.3	Very high	31 Å²	31	47.6 Å²	47.6	12%	0.122	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-53.5	-32.4	172.8	85.3	-104.9	0	0	0	112	L51 E52 Q54 L116 N117 N121 Y122 Y137	L51-Y119 HydrophobicContact CB-CD2 4.06Å; L51-Y119 HydrophobicContact CB-CE2 4.13Å; L51-Y119 HydrophobicContact CB-CG 4.35Å; L51-Y119 HydrophobicContact CD1-CD1 4.1Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; L51-Y119 HydrophobicContact CD2-CD1 4.26Å; L51-Y119 HydrophobicContact CD2-CE1 4.02Å; E52-Y119 WeakPolarHBondContact O-CE2 3.49Å; Q54-Y119 HydrophobicContact CG-CD2 3.99Å; Q54-Y119 HydrophobicContact CG-CG 4.45Å; Q54-Y119 PolarHBondContact NE2-O 3.17Å; L116-Y119 HydrophobicContact CD1-CD1 4.34Å; L116-Y119 HydrophobicContact CG-CD1 4.32Å; L116-Y119 WeakPolarHBondContact O-CD1 3.43Å; L116-Y119 PolarHBondContact O-N 3.24Å; N117-Y119 PolarHBondContact O-N 3.14Å; Y119-N121 PolarHBondContact O-N 3.09Å; Y119-N121 VanDerWaalsContact O-N 3.13Å; Y119-Y122 PolarHBondContact O-N 3.31Å; Y119-Y122 VanDerWaalsContact O-N 3.13Å; Y119-Y137 VanDerWaalsContact CB-CE2 3.47Å
120	K	91	Very high	91.7	Very high	96 Å²	96	47.9 Å²	47.9	42%	0.417	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.1	-14.4	-178.9	-57.9	176.5	179.8	174.8	0	112.6	N117 E118 R233	N117-K120 WeakPolarHBondContact O-CB 3.37Å; N117-K120 WeakPolarHBondContact O-CG 3.49Å; N117-K120 PolarHBondContact O-N 2.94Å; N117-K120 VanDerWaalsContact O-N 3.11Å; N117-K120 VanDerWaalsContact OD1-CE 3.29Å; N117-K120 WeakPolarHBondContact OD1-CE 3.44Å; N117-K120 PolarHBondContact OD1-NZ 2.86Å; E118-K120 PolarHBondContact O-N 3.35Å; E118-K120 VanDerWaalsContact O-N 3.09Å; K120-R233 PolarHBondContact O-NH2 2.8Å
121	N	87.6	Confident	90.9	Very high	41 Å²	41	47.6 Å²	47.6	22%	0.219	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-114.4	-2.3	178.5	-57	-36	0	0	0	112	E118 Y119 L130 R233	E118-N121 PolarHBondContact O-N 3.29Å; Y119-N121 PolarHBondContact O-N 3.09Å; Y119-N121 VanDerWaalsContact O-N 3.13Å; N121-L130 WeakPolarHBondContact O-CB 3.4Å; N121-L130 WeakPolarHBondContact O-CG 3.36Å; N121-L130 PolarHBondContact O-N 3.35Å; N121-R233 PolarHBondContact OD1-NH2 3.47Å
122	Y	88.4	Confident	90.4	Very high	21 Å²	21	51.1 Å²	51.1	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.3	-178.2	-171.6	-112.1	0	0	0	110.8	Q54 E118 Y119 F124 C134 Y137 T138 P179	Q54-Y122 PolarHBondContact NE2-O 2.87Å; E118-Y122 PolarHBondContact O-N 3.31Å; Y119-Y122 PolarHBondContact O-N 3.31Å; Y119-Y122 VanDerWaalsContact O-N 3.13Å; Y122-F124 HydrophobicContact CD1-CB 4.33Å; Y122-F124 HydrophobicContact CE1-CB 4.2Å; Y122-F124 AromaticContact CE1-CD2 3.99Å; Y122-F124 HydrophobicContact CE1-CD2 3.99Å; Y122-F124 HydrophobicContact CE1-CG 4.41Å; Y122-F124 PolarHBondContact O-N 3.31Å; Y122-C134 HydrophobicContact CD2-CB 3.66Å; Y122-C134 HydrophobicContact CG-CB 4.25Å; Y122-Y137 HydrophobicContact CD1-CD1 4.21Å; Y122-Y137 AromaticContact CD1-CE1 3.78Å; Y122-Y137 HydrophobicContact CD1-CE1 3.78Å; Y122-Y137 HydrophobicContact CG-CD1 4.2Å; Y122-Y137 HydrophobicContact CG-CE1 4.2Å; Y122-T138 HydrophobicContact CD1-CG2 4.28Å; Y122-T138 HydrophobicContact CD2-CG2 3.94Å; Y122-T138 HydrophobicContact CE1-CG2 3.94Å; Y122-T138 HydrophobicContact CE2-CG2 3.57Å; Y122-T138 HydrophobicContact CG-CG2 4.27Å; Y122-P179 HydrophobicContact CE1-CG 4.02Å; Y122-P179 WeakPolarHBondContact OH-CD 2.98Å
123	D	87.3	Confident	90	Very high	32 Å²	32	57.5 Å²	57.5	17%	0.171	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	101	167.5	-177.8	-25.8	0	0	0	108.7	F125 N126 R127 L128 L130	D123-F125 PolarHBondContact O-N 3.38Å; D123-F125 PolarHBondContact OD1-N 3.06Å; D123-F125 VanDerWaalsContact OD1-N 3.15Å; D123-N126 HydrophobicContact CB-CB 4.42Å; D123-N126 VanDerWaalsContact CG-ND2 3.34Å; D123-N126 PolarHBondContact OD1-N 3.43Å; D123-N126 PolarHBondContact OD1-ND2 3.17Å; D123-N126 PolarHBondContact OD2-ND2 3.43Å; D123-R127 VanDerWaalsContact O-CA 3.28Å; D123-R127 WeakPolarHBondContact O-CA 3.47Å; D123-R127 PolarHBondContact O-N 2.84Å; D123-L128 HydrophobicContact CB-CB 4.47Å; D123-L128 PolarHBondContact N-O 3.48Å; D123-L128 PolarHBondContact O-N 3.47Å; D123-L128 VanDerWaalsContact O-N 3.1Å; D123-L130 HydrophobicContact CB-CD2 4.18Å; D123-L130 HydrophobicContact CB-CG 4.27Å
124	F	87.9	Confident	89.7	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.018	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-46.3	-177.2	-173.5	-81.6	0	0	0	112.5	P55 Y122 N126 R127 F178 P179 Y180 V182	P55-F124 VanDerWaalsContact CD-CG 3.46Å; P55-F124 HydrophobicContact CG-CB 3.95Å; P55-F124 HydrophobicContact CG-CD1 3.29Å; P55-F124 HydrophobicContact CG-CD2 3.75Å; P55-F124 HydrophobicContact CG-CE1 3.59Å; P55-F124 HydrophobicContact CG-CE2 4.03Å; P55-F124 HydrophobicContact CG-CG 3.37Å; P55-F124 HydrophobicContact CG-CZ 3.94Å; Y122-F124 HydrophobicContact CD1-CB 4.33Å; Y122-F124 HydrophobicContact CE1-CB 4.2Å; Y122-F124 AromaticContact CE1-CD2 3.99Å; Y122-F124 HydrophobicContact CE1-CD2 3.99Å; Y122-F124 HydrophobicContact CE1-CG 4.41Å; Y122-F124 PolarHBondContact O-N 3.31Å; F124-N126 PolarHBondContact O-N 3.03Å; F124-R127 WeakPolarHBondContact O-CG 3.3Å; F124-R127 PolarHBondContact O-N 2.9Å; F124-F178 AromaticContact CD1-CD1 3.65Å; F124-F178 HydrophobicContact CD1-CD1 3.65Å; F124-F178 AromaticContact CD1-CE1 3.84Å; F124-F178 HydrophobicContact CD1-CE1 3.84Å; F124-F178 HydrophobicContact CE1-CB 4.31Å; F124-F178 AromaticContact CE1-CD1 3.18Å; F124-F178 HydrophobicContact CE1-CD1 3.18Å; F124-F178 AromaticContact CE1-CE1 3.63Å; F124-F178 HydrophobicContact CE1-CE1 3.63Å; F124-F178 AromaticContact CE1-CG 3.99Å; F124-F178 HydrophobicContact CE1-CG 3.99Å; F124-F178 HydrophobicContact CE2-CB 4.44Å; F124-F178 HydrophobicContact CE2-CD1 4.31Å; F124-F178 HydrophobicContact CG-CD1 4.4Å; F124-F178 HydrophobicContact CZ-CB 3.84Å; F124-F178 AromaticContact CZ-CD1 3.57Å; F124-F178 HydrophobicContact CZ-CD1 3.57Å; F124-F178 HydrophobicContact CZ-CE1 4.44Å; F124-F178 HydrophobicContact CZ-CG 4.05Å; F124-F178 WeakPolarHBondContact O-CD1 3.44Å; F124-F178 WeakPolarHBondContact O-CE1 2.97Å; F124-P179 HydrophobicContact CD2-CG 4.16Å; F124-P179 HydrophobicContact CE2-CG 3.78Å; F124-Y180 HydrophobicContact CD2-CE1 4.02Å; F124-Y180 HydrophobicContact CD2-CE2 4.16Å; F124-Y180 AromaticContact CD2-CZ 3.65Å; F124-Y180 AromaticContact CE2-CD1 3.97Å; F124-Y180 HydrophobicContact CE2-CD1 3.97Å; F124-Y180 AromaticContact CE2-CD2 3.78Å; F124-Y180 HydrophobicContact CE2-CD2 3.78Å; F124-Y180 AromaticContact CE2-CE1 3.51Å; F124-Y180 HydrophobicContact CE2-CE1 3.51Å; F124-Y180 AromaticContact CE2-CE2 3.35Å; F124-Y180 HydrophobicContact CE2-CE2 3.35Å; F124-Y180 HydrophobicContact CE2-CG 4.08Å; F124-Y180 AromaticContact CE2-CZ 3.2Å; F124-Y180 AromaticContact CZ-CD2 3.93Å; F124-Y180 HydrophobicContact CZ-CD2 3.93Å; F124-Y180 AromaticContact CZ-CE2 3.7Å; F124-Y180 HydrophobicContact CZ-CE2 3.7Å; F124-Y180 HydrophobicContact CZ-CG 4.49Å; F124-Y180 WeakPolarHBondContact CZ-O 3.41Å; F124-V182 HydrophobicContact CD1-CG2 4.31Å; F124-V182 HydrophobicContact CE1-CG2 3.28Å; F124-V182 HydrophobicContact CE2-CG2 4.44Å; F124-V182 HydrophobicContact CZ-CG2 3.37Å
125	F	83	Confident	89.5	Confident	70 Å²	70	50.8 Å²	50.8	31%	0.307	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.5	-172.4	-62.5	-70.6	0	0	0	112.4	P55 D123 R127 Y186	P55-F125 HydrophobicContact CB-CZ 4.07Å; P55-F125 HydrophobicContact CG-CZ 4.24Å; D123-F125 PolarHBondContact O-N 3.38Å; D123-F125 PolarHBondContact OD1-N 3.06Å; D123-F125 VanDerWaalsContact OD1-N 3.15Å; F125-R127 PolarHBondContact O-NH1 2.9Å; F125-Y186 HydrophobicContact CE1-CD1 4.06Å; F125-Y186 HydrophobicContact CE1-CG 4.16Å; F125-Y186 AromaticContact CZ-CD1 3.56Å; F125-Y186 HydrophobicContact CZ-CD1 3.56Å; F125-Y186 HydrophobicContact CZ-CE1 4.22Å; F125-Y186 HydrophobicContact CZ-CG 4.12Å
126	N	83	Confident	89.5	Confident	57 Å²	57	51.5 Å²	51.5	31%	0.305	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.8	174.7	-65	-61.5	0	0	0	113	D123 F124 L128	D123-N126 HydrophobicContact CB-CB 4.42Å; D123-N126 VanDerWaalsContact CG-ND2 3.34Å; D123-N126 PolarHBondContact OD1-N 3.43Å; D123-N126 PolarHBondContact OD1-ND2 3.17Å; D123-N126 PolarHBondContact OD2-ND2 3.43Å; F124-N126 PolarHBondContact O-N 3.03Å; N126-L128 VanDerWaalsContact C-N 3.26Å; N126-L128 HydrophobicContact CB-CB 4.41Å; N126-L128 HydrophobicContact CB-CD1 3.89Å; N126-L128 HydrophobicContact CB-CG 3.97Å; N126-L128 PolarHBondContact O-N 3.48Å
127	R	85.9	Confident	89.4	Confident	76 Å²	76	50.7 Å²	50.7	29%	0.287	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	40.5	-175.3	-59.7	168.4	-62.6	-63.6	-6.5	111.6	D123 F124 F125 R176 F178	D123-R127 VanDerWaalsContact O-CA 3.28Å; D123-R127 WeakPolarHBondContact O-CA 3.47Å; D123-R127 PolarHBondContact O-N 2.84Å; F124-R127 WeakPolarHBondContact O-CG 3.3Å; F124-R127 PolarHBondContact O-N 2.9Å; F125-R127 PolarHBondContact O-NH1 2.9Å; R127-R176 VanDerWaalsContact CD-C 3.5Å; R127-R176 WeakPolarHBondContact CD-O 3.32Å; R127-R176 PolarHBondContact NE-O 2.64Å; R127-R176 VanDerWaalsContact NE-O 3.09Å; R127-F178 HydrophobicContact CG-CD1 3.74Å; R127-F178 HydrophobicContact CG-CE1 3.76Å; R127-F178 HydrophobicContact CG-CG 4.36Å; R127-F178 HydrophobicContact CG-CZ 4.34Å
128	L	86.6	Confident	89.4	Confident	81 Å²	81	48.8 Å²	48.8	42%	0.424	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.6	-176	-67.5	177.5	0	0	0	110.4	D123 N126	D123-L128 HydrophobicContact CB-CB 4.47Å; D123-L128 PolarHBondContact N-O 3.48Å; D123-L128 PolarHBondContact O-N 3.47Å; D123-L128 VanDerWaalsContact O-N 3.1Å; N126-L128 VanDerWaalsContact C-N 3.26Å; N126-L128 HydrophobicContact CB-CB 4.41Å; N126-L128 HydrophobicContact CB-CD1 3.89Å; N126-L128 HydrophobicContact CB-CG 3.97Å; N126-L128 PolarHBondContact O-N 3.48Å
129	C	86.9	Confident	89.4	Confident	47 Å²	47	48.3 Å²	48.3	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.2	162.2	-162.5	0	0	0	0	108.1	V131 C134	C129-V131 VanDerWaalsContact C-N 3.29Å; C129-V131 PolarHBondContact O-N 2.85Å; C129-V131 PolarHBondContact SG-O 3.27Å; C129-C134 WeakPolarHBondContact CA-SG 3.45Å; C129-C134 HydrophobicContact CB-CB 3.6Å; C129-C134 WeakPolarHBondContact CB-SG 3.31Å; C129-C134 WeakPolarHBondContact SG-CB 3.45Å; C129-C134 PolarHBondContact SG-N 3.42Å; C129-C134 CovalentContact SG-SG 2.04Å; C129-C134 PolarHBondContact SG-SG 3.37Å
130	L	84.4	Confident	89.6	Confident	72 Å²	72	46.8 Å²	46.8	38%	0.377	25%	0.252	S	S	.	.	S	Bend	trans	-67.2	-33.7	-175.9	-61.6	176.3	0	0	0	111.9	N121 D123	N121-L130 WeakPolarHBondContact O-CB 3.4Å; N121-L130 WeakPolarHBondContact O-CG 3.36Å; N121-L130 PolarHBondContact O-N 3.35Å; D123-L130 HydrophobicContact CB-CD2 4.18Å; D123-L130 HydrophobicContact CB-CG 4.27Å
131	V	82.4	Confident	89.9	Confident	66 Å²	66	42.2 Å²	42.2	40%	0.4	23%	0.232	S	C	.	.	S	Bend	trans	-146.6	133.3	179	-179.4	0	0	0	0	109.5	C129 R133	C129-V131 VanDerWaalsContact C-N 3.29Å; C129-V131 PolarHBondContact O-N 2.85Å; C129-V131 PolarHBondContact SG-O 3.27Å; V131-R133 PolarHBondContact O-N 3.19Å
132	G	86.8	Confident	90.3	Very high	75 Å²	75	40.9 Å²	40.9	77%	0.773	22%	0.224	S	C	*	.	S	Bend	trans	69.4	-127.2	171.5	0	0	0	0	0	112.8
133	R	88.4	Confident	90.7	Very high	138 Å²	138	42.5 Å²	42.5	52%	0.521	23%	0.232	S	C	.	.			trans	-118.9	141.4	-175.2	-176	-178.6	-72	-177.2	4.6	109.7	E118 V131 S135 H136	E118-R133 VanDerWaalsContact CB-O 3.32Å; E118-R133 WeakPolarHBondContact CB-O 3.3Å; E118-R133 WeakPolarHBondContact CG-O 3.47Å; V131-R133 PolarHBondContact O-N 3.19Å; R133-S135 WeakPolarHBondContact CD-OG 3.18Å; R133-S135 WeakPolarHBondContact CG-OG 3.41Å; R133-H136 WeakPolarHBondContact CD-CE1 3.42Å; R133-H136 WeakPolarHBondContact CD-ND1 3.21Å; R133-H136 PolarHBondContact NH1-CE1 3.44Å; R133-H136 PolarHBondContact NH1-NE2 3.48Å
134	C	93.5	Very high	91	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.041	25%	0.25	C	S	.	.			trans	-130.3	0.4	174.1	-59	0	0	0	0	112.7	E118 Y122 C129 H136 Y137 T138	E118-C134 HydrophobicContact CB-CB 4.42Å; E118-C134 WeakPolarHBondContact OE2-CA 3.33Å; Y122-C134 HydrophobicContact CD2-CB 3.66Å; Y122-C134 HydrophobicContact CG-CB 4.25Å; C129-C134 WeakPolarHBondContact CA-SG 3.45Å; C129-C134 HydrophobicContact CB-CB 3.6Å; C129-C134 WeakPolarHBondContact CB-SG 3.31Å; C129-C134 WeakPolarHBondContact SG-CB 3.45Å; C129-C134 PolarHBondContact SG-N 3.42Å; C129-C134 CovalentContact SG-SG 2.04Å; C129-C134 PolarHBondContact SG-SG 3.37Å; C134-H136 VanDerWaalsContact C-N 3.26Å; C134-H136 PolarHBondContact O-N 2.88Å; C134-Y137 PolarHBondContact O-N 3.32Å; C134-T138 WeakPolarHBondContact O-CG2 3.27Å; C134-T138 PolarHBondContact O-N 3.28Å; C134-T138 PolarHBondContact O-OG1 2.96Å
135	S	93.4	Very high	91.5	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-33.5	-176.5	56.1	0	0	0	0	111.6	E118 R133 T138 Q139	E118-S135 PolarHBondContact OE2-N 2.9Å; R133-S135 WeakPolarHBondContact CD-OG 3.18Å; R133-S135 WeakPolarHBondContact CG-OG 3.41Å; S135-T138 WeakPolarHBondContact CA-OG1 3.35Å; S135-T138 PolarHBondContact O-N 3.25Å; S135-T138 PolarHBondContact O-OG1 3.19Å; S135-Q139 VanDerWaalsContact O-CB 3.32Å; S135-Q139 WeakPolarHBondContact O-CB 3.38Å; S135-Q139 PolarHBondContact O-N 3.31Å
136	H	96	Very high	92.2	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-46.2	-179.7	-49.4	130.2	0	0	0	111.1	N101 W115 E118 R133 C134 Q139 I140	N101-H136 PolarHBondContact ND2-O 3.08Å; N101-H136 VanDerWaalsContact ND2-O 3.09Å; N101-H136 VanDerWaalsContact OD1-CA 3.31Å; N101-H136 WeakPolarHBondContact OD1-CA 3.23Å; N101-H136 PolarHBondContact OD1-CD2 3.03Å; W115-H136 HydrophobicContact CB-CB 3.64Å; W115-H136 AromaticContact CD1-CD2 3.99Å; W115-H136 AromaticContact CD1-CE1 3.98Å; W115-H136 AromaticContact CD1-CG 3.45Å; W115-H136 VanDerWaalsContact CD1-CG 3.45Å; W115-H136 AromaticContact CD1-ND1 3.49Å; W115-H136 HydrophobicContact CG-CB 3.7Å; E118-H136 IonicContact OE1-CE1 3.63Å; E118-H136 IonicContact OE1-CG 3.54Å; E118-H136 IonicContact OE1-ND1 2.68Å; E118-H136 PolarHBondContact OE1-ND1 3.49Å; E118-H136 WeakPolarHBondContact OE2-CA 3.31Å; E118-H136 VanDerWaalsContact OE2-CB 3.26Å; E118-H136 WeakPolarHBondContact OE2-CB 3.32Å; E118-H136 IonicContact OE2-CG 3.7Å; E118-H136 PolarHBondContact OE2-N 3.02Å; E118-H136 IonicContact OE2-ND1 3.64Å; R133-H136 WeakPolarHBondContact CD-CE1 3.42Å; R133-H136 WeakPolarHBondContact CD-ND1 3.21Å; R133-H136 PolarHBondContact NH1-CE1 3.44Å; R133-H136 PolarHBondContact NH1-NE2 3.48Å; C134-H136 VanDerWaalsContact C-N 3.26Å; C134-H136 PolarHBondContact O-N 2.88Å; H136-Q139 PolarHBondContact O-N 2.76Å; H136-I140 WeakPolarHBondContact O-CG1 3.41Å; H136-I140 PolarHBondContact O-N 2.04Å; H136-I140 VanDerWaalsContact O-N 3.12Å
137	Y	97	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.7	-53.2	172.5	162.9	-112.4	0	0	0	111.2	L51 Q54 W115 L116 E118 Y119 Y122 C134 Q139 I140 V141	L51-Y137 HydrophobicContact CD1-CE2 3.75Å; Q54-Y137 WeakPolarHBondContact CG-OH 3.31Å; Q54-Y137 PolarHBondContact OE1-OH 2.04Å; W115-Y137 WeakPolarHBondContact O-CB 3.42Å; W115-Y137 PolarHBondContact O-N 2.8Å; L116-Y137 HydrophobicContact CD1-CD2 4.19Å; L116-Y137 HydrophobicContact CD1-CE2 4.49Å; E118-Y137 PolarHBondContact OE2-N 3.45Å; E118-Y137 VanDerWaalsContact OE2-N 3.1Å; Y119-Y137 VanDerWaalsContact CB-CE2 3.47Å; Y122-Y137 HydrophobicContact CD1-CD1 4.21Å; Y122-Y137 AromaticContact CD1-CE1 3.78Å; Y122-Y137 HydrophobicContact CD1-CE1 3.78Å; Y122-Y137 HydrophobicContact CG-CD1 4.2Å; Y122-Y137 HydrophobicContact CG-CE1 4.2Å; C134-Y137 PolarHBondContact O-N 3.32Å; Y137-Q139 PolarHBondContact O-N 2.89Å; Y137-Q139 VanDerWaalsContact O-N 3.16Å; Y137-I140 WeakPolarHBondContact O-CB 2.98Å; Y137-I140 PolarHBondContact O-N 2.69Å; Y137-V141 HydrophobicContact CD2-CG1 4.31Å; Y137-V141 HydrophobicContact CD2-CG2 4.2Å; Y137-V141 HydrophobicContact CE1-CG2 4.09Å; Y137-V141 HydrophobicContact CE2-CB 4.36Å; Y137-V141 HydrophobicContact CE2-CG1 3.71Å; Y137-V141 HydrophobicContact CE2-CG2 3.68Å; Y137-V141 WeakPolarHBondContact O-CG2 3.26Å; Y137-V141 PolarHBondContact O-N 3.15Å
138	T	96.2	Very high	93.6	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-32.6	-176.5	55.9	0	0	0	0	112.4	Y122 C134 S135 V141 W142 P179	Y122-T138 HydrophobicContact CD1-CG2 4.28Å; Y122-T138 HydrophobicContact CD2-CG2 3.94Å; Y122-T138 HydrophobicContact CE1-CG2 3.94Å; Y122-T138 HydrophobicContact CE2-CG2 3.57Å; Y122-T138 HydrophobicContact CG-CG2 4.27Å; C134-T138 WeakPolarHBondContact O-CG2 3.27Å; C134-T138 PolarHBondContact O-N 3.28Å; C134-T138 PolarHBondContact O-OG1 2.96Å; S135-T138 WeakPolarHBondContact CA-OG1 3.35Å; S135-T138 PolarHBondContact O-N 3.25Å; S135-T138 PolarHBondContact O-OG1 3.19Å; T138-V141 CarbonylContact O-C 3.58Å; T138-W142 WeakPolarHBondContact O-CB 3.29Å; T138-W142 PolarHBondContact O-N 2.78Å; T138-W142 VanDerWaalsContact O-N 3.08Å; T138-P179 HydrophobicContact CG2-CB 4.41Å; T138-P179 HydrophobicContact CG2-CG 4.26Å
139	Q	97.4	Very high	94.2	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-68.8	-41	175.3	179.5	59.3	86.6	0	0	112.3	S135 H136 Y137 V141 W142 T145 Y168	S135-Q139 VanDerWaalsContact O-CB 3.32Å; S135-Q139 WeakPolarHBondContact O-CB 3.38Å; S135-Q139 PolarHBondContact O-N 3.31Å; H136-Q139 PolarHBondContact O-N 2.76Å; Y137-Q139 PolarHBondContact O-N 2.89Å; Y137-Q139 VanDerWaalsContact O-N 3.16Å; Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 2.91Å; Q139-W142 WeakPolarHBondContact O-CB 3.4Å; Q139-W142 PolarHBondContact O-N 3.34Å; Q139-T145 PolarHBondContact NE2-OG1 2.92Å; Q139-Y168 HydrophobicContact CG-CD1 4Å; Q139-Y168 HydrophobicContact CG-CD2 3.24Å; Q139-Y168 HydrophobicContact CG-CE1 4.21Å; Q139-Y168 HydrophobicContact CG-CE2 3.48Å; Q139-Y168 VanDerWaalsContact CG-CE2 3.48Å; Q139-Y168 HydrophobicContact CG-CG 3.51Å
140	I	98.2	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-43.6	176.9	-68.8	165.7	0	0	0	110.5	A42 R43 F112 W115 H136 Y137	A42-I140 HydrophobicContact CB-CG2 3.7Å; R43-I140 WeakPolarHBondContact CG-O 3.31Å; R43-I140 PolarHBondContact NH1-O 2.75Å; F112-I140 HydrophobicContact CE2-CD1 3.95Å; F112-I140 HydrophobicContact CE2-CG1 4.46Å; F112-I140 HydrophobicContact CZ-CD1 4.34Å; F112-I140 HydrophobicContact CZ-CG2 4.5Å; W115-I140 HydrophobicContact CB-CD1 3.66Å; H136-I140 WeakPolarHBondContact O-CG1 3.41Å; H136-I140 PolarHBondContact O-N 2.04Å; H136-I140 VanDerWaalsContact O-N 3.12Å; Y137-I140 WeakPolarHBondContact O-CB 2.98Å; Y137-I140 PolarHBondContact O-N 2.69Å
141	V	97.5	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	16.3	-175.4	-59.8	0	0	0	0	113.3	V46 Y137 T138 Q139 E143 P179 Y180	V46-V141 HydrophobicContact CG2-CB 4.39Å; V46-V141 HydrophobicContact CG2-CG1 3.71Å; Y137-V141 HydrophobicContact CD2-CG1 4.31Å; Y137-V141 HydrophobicContact CD2-CG2 4.2Å; Y137-V141 HydrophobicContact CE1-CG2 4.09Å; Y137-V141 HydrophobicContact CE2-CB 4.36Å; Y137-V141 HydrophobicContact CE2-CG1 3.71Å; Y137-V141 HydrophobicContact CE2-CG2 3.68Å; Y137-V141 WeakPolarHBondContact O-CG2 3.26Å; Y137-V141 PolarHBondContact O-N 3.15Å; T138-V141 CarbonylContact O-C 3.58Å; Q139-V141 VanDerWaalsContact C-N 3.26Å; Q139-V141 PolarHBondContact O-N 2.91Å; V141-E143 PolarHBondContact O-N 2.79Å; V141-P179 HydrophobicContact CG2-CB 3.97Å; V141-P179 HydrophobicContact CG2-CG 4.32Å; V141-Y180 HydrophobicContact CB-CD1 4.1Å; V141-Y180 HydrophobicContact CB-CE1 4.33Å; V141-Y180 HydrophobicContact CG2-CD1 3.93Å; V141-Y180 HydrophobicContact CG2-CE1 3.94Å
142	W	97	Very high	96	Very high	13 Å²	13	27.7 Å²	27.7	5%	0.049	16%	0.161	C	C	.	.			trans	-70.1	114.6	-179.5	-157.9	-98	0	0	0	110.7	R43 T138 Q139 N144 T145 G172 C174 Q177 P179	R43-W142 PolarHBondContact NH1-O 2.92Å; R43-W142 PolarHBondContact NH2-O 3.37Å; T138-W142 WeakPolarHBondContact O-CB 3.29Å; T138-W142 PolarHBondContact O-N 2.78Å; T138-W142 VanDerWaalsContact O-N 3.08Å; Q139-W142 WeakPolarHBondContact O-CB 3.4Å; Q139-W142 PolarHBondContact O-N 3.34Å; W142-N144 VanDerWaalsContact C-N 3.27Å; W142-N144 PolarHBondContact O-N 3.13Å; W142-T145 PolarHBondContact O-N 3.47Å; W142-T145 VanDerWaalsContact O-N 3.15Å; W142-G172 VanDerWaalsContact CD1-CA 3.48Å; W142-G172 VanDerWaalsContact CG-CA 3.49Å; W142-C174 HydrophobicContact CH2-CB 4.28Å; W142-C174 HydrophobicContact CZ2-CB 4.14Å; W142-Q177 HydrophobicContact CH2-CB 3.81Å; W142-Q177 HydrophobicContact CZ2-CB 4.08Å; W142-P179 CarbonylContact C-O 3.44Å; W142-P179 VanDerWaalsContact CA-O 3.3Å; W142-P179 WeakPolarHBondContact CA-O 3.38Å; W142-P179 HydrophobicContact CE3-CB 3.79Å; W142-P179 HydrophobicContact CZ3-CB 4.13Å
143	E	95.7	Very high	96.4	Very high	54 Å²	54	24.5 Å²	24.5	25%	0.252	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.3	-172.5	-179.5	176.6	-165.6	0	0	111.8	S59 V141 P179 S181	S59-E143 VanDerWaalsContact O-OE1 3.13Å; V141-E143 PolarHBondContact O-N 2.79Å; E143-P179 PolarHBondContact N-O 3.46Å; E143-S181 VanDerWaalsContact OE2-CB 3.32Å; E143-S181 WeakPolarHBondContact OE2-CB 3.41Å; E143-S181 PolarHBondContact OE2-N 2.81Å; E143-S181 PolarHBondContact OE2-OG 2.95Å
144	N	94.9	Very high	96.8	Very high	103 Å²	103	22.9 Å²	22.9	55%	0.551	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.7	-177.9	-69	-11.3	0	0	0	114.3	W142 T146 P170	W142-N144 VanDerWaalsContact C-N 3.27Å; W142-N144 PolarHBondContact O-N 3.13Å; N144-T146 PolarHBondContact O-N 2.88Å; N144-P170 WeakPolarHBondContact O-CD 3.22Å; N144-P170 WeakPolarHBondContact O-CG 3.35Å
145	T	97.9	Very high	96.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	13%	0.131	C	C	.	.			trans	-73.9	127.2	173.3	-65.2	0	0	0	0	108.2	R43 L63 Q139 W142 Y168 P170	R43-T145 PolarHBondContact NH2-O 3.43Å; L63-T145 HydrophobicContact CD2-CG2 3.79Å; L63-T145 WeakPolarHBondContact CD2-O 3.39Å; Q139-T145 PolarHBondContact NE2-OG1 2.92Å; W142-T145 PolarHBondContact O-N 3.47Å; W142-T145 VanDerWaalsContact O-N 3.15Å; T145-Y168 HydrophobicContact CG2-CD1 4.06Å; T145-Y168 HydrophobicContact CG2-CG 4.37Å; T145-P170 WeakPolarHBondContact CB-O 3.47Å; T145-P170 PolarHBondContact OG1-O 2.85Å
146	T	98	Very high	96.5	Very high	59 Å²	59	24.7 Å²	24.7	36%	0.362	14%	0.143	S	C	.	.			trans	-110.6	-31.4	-176.5	53.4	0	0	0	0	112.2	L63 K64 N144 G169	L63-T146 WeakPolarHBondContact CA-O 3.15Å; K64-T146 PolarHBondContact N-O 2.88Å; N144-T146 PolarHBondContact O-N 2.88Å; T146-G169 PolarHBondContact N-O 2.8Å; T146-G169 PolarHBondContact OG1-O 2.9Å
147	D	98.6	Very high	96.2	Very high	10 Å²	10	33 Å²	33	5%	0.053	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145	-169.8	-67.5	-118.6	0	0	0	110.5	K64 N66 L69 F95 Y168 G169	K64-D147 WeakPolarHBondContact CE-OD1 3.14Å; K64-D147 WeakPolarHBondContact CE-OD2 3.32Å; K64-D147 IonicContact NZ-OD1 3.95Å; K64-D147 IonicContact NZ-OD2 3.93Å; K64-D147 CarbonylContact O-C 3.5Å; K64-D147 WeakPolarHBondContact O-CA 3.42Å; N66-D147 HydrophobicContact CB-CB 4.03Å; N66-D147 PolarHBondContact ND2-OD1 3.3Å; L69-D147 HydrophobicContact CD1-CB 3.83Å; F95-D147 HydrophobicContact CE1-CB 3.96Å; F95-D147 HydrophobicContact CE2-CB 4.47Å; F95-D147 HydrophobicContact CZ-CB 3.52Å; D147-Y168 WeakPolarHBondContact O-CA 3.36Å; D147-G169 PolarHBondContact N-O 3.01Å; D147-G169 PolarHBondContact O-N 3.12Å
148	I	98.7	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.1	172.6	-170.4	174.6	0	0	0	109.7	L36 H39 L63 K64 W65 N66 C166 N167 Y168	L36-I148 HydrophobicContact CD1-CG2 3.64Å; H39-I148 HydrophobicContact CB-CD1 4.4Å; H39-I148 VanDerWaalsContact CE1-CD1 3.4Å; H39-I148 WeakPolarHBondContact CE1-CD1 3.07Å; H39-I148 WeakPolarHBondContact ND1-CD1 3.44Å; H39-I148 WeakPolarHBondContact NE2-CD1 3.06Å; L63-I148 HydrophobicContact CB-CB 4.45Å; L63-I148 HydrophobicContact CB-CG2 3.93Å; L63-I148 HydrophobicContact CD1-CB 4.03Å; L63-I148 HydrophobicContact CD1-CD1 4.25Å; L63-I148 HydrophobicContact CD1-CG2 4.18Å; K64-I148 PolarHBondContact O-N 2.98Å; W65-I148 CarbonylContact C-O 2.87Å; W65-I148 WeakPolarHBondContact CA-O 3.32Å; W65-I148 HydrophobicContact CE3-CG2 4.04Å; W65-I148 HydrophobicContact CZ3-CG2 4.4Å; N66-I148 PolarHBondContact N-O 3.37Å; I148-C166 HydrophobicContact CD1-CB 4.24Å; I148-C166 HydrophobicContact CG1-CB 4.43Å; I148-N167 WeakPolarHBondContact CA-O 3.41Å; I148-Y168 HydrophobicContact CB-CD1 4.47Å; I148-Y168 HydrophobicContact CD1-CD1 4.15Å; I148-Y168 HydrophobicContact CD1-CE1 3.55Å; I148-Y168 HydrophobicContact CG1-CD1 4.08Å; I148-Y168 HydrophobicContact CG1-CE1 3.96Å
149	G	98.4	Very high	95.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134	162.8	0	0	0	0	0	108.9	N167	G149-N167 PolarHBondContact N-O 3.33Å; G149-N167 PolarHBondContact O-N 3.19Å
150	C	98.5	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	-176.7	-50.7	0	0	0	0	111.1	M27 L35 W65 E70 V165 C166	M27-C150 VanDerWaalsContact CE-O 3.28Å; M27-C150 WeakPolarHBondContact CE-O 3.48Å; L35-C150 HydrophobicContact CD1-CB 3.58Å; W65-C150 HydrophobicContact CH2-CB 3.71Å; W65-C150 VanDerWaalsContact CH2-N 3.28Å; W65-C150 HydrophobicContact CZ2-CB 4.41Å; E70-C150 VanDerWaalsContact CG-O 3.31Å; E70-C150 WeakPolarHBondContact CG-O 3.46Å; C150-V165 CarbonylContact C-O 3.49Å; C150-V165 WeakPolarHBondContact CA-O 3.13Å; C150-V165 WeakPolarHBondContact CB-O 3.44Å; C150-C166 HydrophobicContact CB-CB 4.04Å; C150-C166 WeakPolarHBondContact CB-SG 3.45Å; C150-C166 WeakPolarHBondContact SG-CB 3.4Å; C150-C166 CovalentContact SG-SG 2.04Å; C150-C166 PolarHBondContact SG-SG 3.27Å
151	G	97.4	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.2	170.6	0	0	0	0	0	110.4	V165	G151-V165 PolarHBondContact N-O 2.03Å; G151-V165 PolarHBondContact O-N 2.98Å
152	V	97	Very high	94.6	Very high	22 Å²	22	49 Å²	49	13%	0.133	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.5	179.1	-176.9	0	0	0	0	108.2	M27 T31 L35 Q74 V108 L162 S163 I164	M27-V152 HydrophobicContact CG-CB 4.45Å; M27-V152 HydrophobicContact CG-CG2 4.48Å; M27-V152 HydrophobicContact SD-CB 4.46Å; M27-V152 HydrophobicContact SD-CG2 3.9Å; T31-V152 HydrophobicContact CG2-CG2 4Å; L35-V152 HydrophobicContact CD1-CG2 4.04Å; Q74-V152 PolarHBondContact NE2-O 2.61Å; Q74-V152 PolarHBondContact OE1-O 2.73Å; V108-V152 HydrophobicContact CG2-CG1 4.32Å; V108-V152 HydrophobicContact CG2-CG2 4.15Å; V152-L162 HydrophobicContact CG1-CB 4.46Å; V152-L162 HydrophobicContact CG1-CD1 4.34Å; V152-S163 WeakPolarHBondContact CA-O 3.26Å; V152-I164 HydrophobicContact CG1-CG1 4.35Å; V152-I164 HydrophobicContact CG2-CG2 4.23Å
153	A	95.6	Very high	94.5	Very high	8 Å²	8	48.5 Å²	48.5	7%	0.066	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.7	175.1	0	0	0	0	0	110.4	A77 D78 L162 S163	A77-A153 HydrophobicContact CB-CB 3.91Å; A77-A153 VanDerWaalsContact O-CB 3.25Å; A77-A153 WeakPolarHBondContact O-CB 3.09Å; D78-A153 WeakPolarHBondContact OD1-CB 3.4Å; A153-L162 CarbonylContact O-C 3.59Å; A153-L162 WeakPolarHBondContact O-CA 3.35Å; A153-S163 PolarHBondContact N-O 3.12Å; A153-S163 PolarHBondContact O-N 2.89Å
154	T	95.2	Very high	94.6	Very high	104 Å²	104	45.9 Å²	45.9	64%	0.638	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.6	167.6	-59.9	0	0	0	0	108.5	P156	T154-P156 HydrophobicContact CG2-CG 4.31Å; T154-P156 WeakPolarHBondContact O-CD 3.48Å
155	C	92.9	Very high	94.7	Very high	2 Å²	2	41 Å²	41	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	84	-178.3	-63.2	0	0	0	0	109	C80 H157 S158 K161	C80-C155 WeakPolarHBondContact CA-SG 3.42Å; C80-C155 HydrophobicContact CB-CB 3.68Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CA 3.18Å; C80-C155 WeakPolarHBondContact SG-CB 3.32Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 3.49Å; C155-H157 PolarHBondContact O-N 3.24Å; C155-S158 WeakPolarHBondContact O-CB 3.41Å; C155-S158 PolarHBondContact O-N 3.45Å; C155-K161 PolarHBondContact N-O 2.9Å
156	P	88.2	Confident	94.7	Very high	104 Å²	104	41 Å²	41	68%	0.675	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.5	-172.4	-25.2	34.6	0	0	0	113.9	T154 S158	T154-P156 HydrophobicContact CG2-CG 4.31Å; T154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-S158 VanDerWaalsContact C-N 3.35Å
157	H	89.8	Confident	94.7	Very high	191 Å²	191	38.1 Å²	38.1	88%	0.884	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.1	178.9	-55.6	-61.1	0	0	0	113.6	C155	C155-H157 PolarHBondContact O-N 3.24Å
158	S	88	Confident	94.7	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	20%	0.204	C	C	.	.	S	Bend	trans	-86.6	136.4	175.6	168.9	0	0	0	0	110.5	F82 C155 P156 F160 K161	F82-S158 VanDerWaalsContact CE1-OG 3.29Å; F82-S158 WeakPolarHBondContact CE1-OG 3.41Å; F82-S158 WeakPolarHBondContact CZ-OG 3.39Å; C155-S158 WeakPolarHBondContact O-CB 3.41Å; C155-S158 PolarHBondContact O-N 3.45Å; P156-S158 VanDerWaalsContact C-N 3.35Å; S158-F160 PolarHBondContact O-N 3.08Å; S158-F160 PolarHBondContact OG-N 3.41Å; S158-F160 VanDerWaalsContact OG-N 3.16Å; S158-K161 PolarHBondContact O-N 3.32Å; S158-K161 VanDerWaalsContact O-N 3.14Å
159	P	89.6	Confident	94.7	Very high	108 Å²	108	37.7 Å²	37.7	70%	0.701	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-17.9	170.3	21.8	-37	0	0	0	114.4	F82	F82-P159 HydrophobicContact CE2-CG 4.05Å; F82-P159 HydrophobicContact CZ-CG 3.8Å
160	F	88.6	Confident	94.6	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.289	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.3	-177	-57.8	-58.2	0	0	0	114.9	F82 W102 G104 A105 S106 S158 L162	F82-F160 HydrophobicContact CD1-CD2 4.3Å; F82-F160 HydrophobicContact CD1-CE2 4.27Å; F82-F160 HydrophobicContact CD2-CE2 4Å; F82-F160 AromaticContact CE1-CD2 3.58Å; F82-F160 HydrophobicContact CE1-CD2 3.58Å; F82-F160 AromaticContact CE1-CE2 3.83Å; F82-F160 HydrophobicContact CE1-CE2 3.83Å; F82-F160 HydrophobicContact CE2-CD2 4.02Å; F82-F160 AromaticContact CE2-CE2 3.51Å; F82-F160 HydrophobicContact CE2-CE2 3.51Å; F82-F160 HydrophobicContact CE2-CZ 4.49Å; F82-F160 HydrophobicContact CG-CE2 4.36Å; F82-F160 AromaticContact CZ-CD2 3.39Å; F82-F160 HydrophobicContact CZ-CD2 3.39Å; F82-F160 AromaticContact CZ-CE2 3.4Å; F82-F160 HydrophobicContact CZ-CE2 3.4Å; F82-F160 VanDerWaalsContact CZ-CE2 3.4Å; W102-F160 HydrophobicContact CH2-CD2 4.14Å; W102-F160 HydrophobicContact CH2-CE2 4.03Å; G104-F160 VanDerWaalsContact C-CB 3.48Å; G104-F160 VanDerWaalsContact CA-CB 3.45Å; A105-F160 CarbonylContact C-O 3.54Å; S106-F160 WeakPolarHBondContact CA-O 3.47Å; S106-F160 PolarHBondContact N-O 2.68Å; S106-F160 VanDerWaalsContact N-O 3.16Å; S158-F160 PolarHBondContact O-N 3.08Å; S158-F160 PolarHBondContact OG-N 3.41Å; S158-F160 VanDerWaalsContact OG-N 3.16Å; F160-L162 PolarHBondContact O-N 3.12Å
161	K	92.2	Very high	94.3	Very high	139 Å²	139	39.7 Å²	39.7	60%	0.604	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	65.4	-46.2	-170.7	-52.5	-175.6	175.9	-173.9	0	116.1	C155 S158	C155-K161 PolarHBondContact N-O 2.9Å; S158-K161 PolarHBondContact O-N 3.32Å; S158-K161 VanDerWaalsContact O-N 3.14Å
162	L	95	Very high	93.9	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.3	176.2	-50.4	177.1	0	0	0	111.7	G104 A105 V108 V152 A153 F160 I164	G104-L162 VanDerWaalsContact CA-O 3.31Å; G104-L162 WeakPolarHBondContact CA-O 3.4Å; A105-L162 PolarHBondContact N-O 3.13Å; A105-L162 WeakPolarHBondContact O-CB 3.39Å; A105-L162 WeakPolarHBondContact O-CG 3.31Å; A105-L162 PolarHBondContact O-N 2.97Å; V108-L162 HydrophobicContact CG2-CD1 4.48Å; V152-L162 HydrophobicContact CG1-CB 4.46Å; V152-L162 HydrophobicContact CG1-CD1 4.34Å; A153-L162 CarbonylContact O-C 3.59Å; A153-L162 WeakPolarHBondContact O-CA 3.35Å; F160-L162 PolarHBondContact O-N 3.12Å; L162-I164 HydrophobicContact CB-CD1 4.48Å; L162-I164 HydrophobicContact CB-CG1 4.13Å
163	S	94.8	Very high	92.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.3	161.4	-172.6	0	0	0	0	108.1	A77 W102 V152 A153	A77-S163 WeakPolarHBondContact O-CB 3.03Å; A77-S163 PolarHBondContact O-OG 2.92Å; W102-S163 PolarHBondContact NE1-OG 2.96Å; V152-S163 WeakPolarHBondContact CA-O 3.26Å; A153-S163 PolarHBondContact N-O 3.12Å; A153-S163 PolarHBondContact O-N 2.89Å
164	I	96.8	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	-176.6	-54	156.6	0	0	0	108.1	W102 A103 A105 V108 W115 V152 L162	W102-I164 CarbonylContact C-O 3.35Å; W102-I164 WeakPolarHBondContact CA-O 3.4Å; A103-I164 PolarHBondContact N-O 3.33Å; A103-I164 WeakPolarHBondContact O-CB 3.11Å; A103-I164 PolarHBondContact O-N 2.72Å; A105-I164 HydrophobicContact CB-CD1 4.09Å; V108-I164 HydrophobicContact CG2-CD1 4.48Å; W115-I164 HydrophobicContact CH2-CG2 3.77Å; W115-I164 HydrophobicContact CZ2-CG2 4.39Å; V152-I164 HydrophobicContact CG1-CG1 4.35Å; V152-I164 HydrophobicContact CG2-CG2 4.23Å; L162-I164 HydrophobicContact CB-CD1 4.48Å; L162-I164 HydrophobicContact CB-CG1 4.13Å
165	V	97.4	Very high	88.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.6	-177.2	-173.1	0	0	0	0	109.1	A73 L76 A77 Q100 N101 C150 G151	A73-V165 HydrophobicContact CB-CB 4.05Å; A73-V165 HydrophobicContact CB-CG1 3.84Å; A73-V165 WeakPolarHBondContact O-CB 3.23Å; L76-V165 HydrophobicContact CB-CG1 4.48Å; L76-V165 HydrophobicContact CB-CG2 4.31Å; L76-V165 HydrophobicContact CD2-CG1 3.9Å; L76-V165 HydrophobicContact CD2-CG2 4Å; L76-V165 HydrophobicContact CG-CG2 4.03Å; A77-V165 HydrophobicContact CB-CG2 3.95Å; Q100-V165 HydrophobicContact CG-CG1 3.82Å; N101-V165 WeakPolarHBondContact O-CA 3.24Å; C150-V165 CarbonylContact C-O 3.49Å; C150-V165 WeakPolarHBondContact CA-O 3.13Å; C150-V165 WeakPolarHBondContact CB-O 3.44Å; G151-V165 PolarHBondContact N-O 2.03Å; G151-V165 PolarHBondContact O-N 2.98Å
166	C	98.4	Very high	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.5	169.4	-72.2	0	0	0	0	109.8	Q100 N101 W115 I148 C150 Y168	Q100-C166 CarbonylContact C-O 3.57Å; Q100-C166 VanDerWaalsContact CA-O 3.26Å; Q100-C166 WeakPolarHBondContact CA-O 3.39Å; N101-C166 PolarHBondContact N-O 3.08Å; N101-C166 PolarHBondContact O-N 3.27Å; W115-C166 HydrophobicContact CH2-CB 4.17Å; W115-C166 HydrophobicContact CZ3-CB 4.26Å; I148-C166 HydrophobicContact CD1-CB 4.24Å; I148-C166 HydrophobicContact CG1-CB 4.43Å; C150-C166 HydrophobicContact CB-CB 4.04Å; C150-C166 WeakPolarHBondContact CB-SG 3.45Å; C150-C166 WeakPolarHBondContact SG-CB 3.4Å; C150-C166 CovalentContact SG-SG 2.04Å; C150-C166 PolarHBondContact SG-SG 3.27Å; C166-Y168 HydrophobicContact CB-CE2 3.83Å; C166-Y168 WeakPolarHBondContact CB-OH 3.42Å; C166-Y168 WeakPolarHBondContact O-CD2 3.46Å; C166-Y168 WeakPolarHBondContact O-CE2 3.36Å
167	N	98.4	Very high	86.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.6	172.8	-74.8	-28.9	0	0	0	110.2	L69 K72 A73 V98 G99 Q100 I148 G149	L69-N167 HydrophobicContact CB-CB 4.1Å; L69-N167 HydrophobicContact CD2-CB 4.1Å; L69-N167 PolarHBondContact O-ND2 2.88Å; K72-N167 WeakPolarHBondContact CB-ND2 3.47Å; A73-N167 WeakPolarHBondContact CA-ND2 3.27Å; A73-N167 HydrophobicContact CB-CB 4.44Å; A73-N167 PolarHBondContact N-ND2 3Å; A73-N167 VanDerWaalsContact N-ND2 3.12Å; V98-N167 HydrophobicContact CG1-CB 3.73Å; G99-N167 CarbonylContact O-C 3.59Å; G99-N167 VanDerWaalsContact O-CA 3.29Å; G99-N167 WeakPolarHBondContact O-CA 3.48Å; Q100-N167 VanDerWaalsContact CG-OD1 3.31Å; Q100-N167 WeakPolarHBondContact CG-OD1 3.26Å; Q100-N167 PolarHBondContact NE2-OD1 3.02Å; I148-N167 WeakPolarHBondContact CA-O 3.41Å; G149-N167 PolarHBondContact N-O 3.33Å; G149-N167 PolarHBondContact O-N 3.19Å
168	Y	98.4	Very high	86.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.8	-171.4	-59.6	-90	0	0	0	111	H39 V98 G99 N101 Q139 T145 D147 I148 C166 P170 G171	H39-Y168 AromaticContact CD2-CE1 3.66Å; H39-Y168 AromaticContact NE2-CE1 3.56Å; H39-Y168 AromaticContact NE2-CZ 3.52Å; H39-Y168 PolarHBondContact NE2-OH 3.23Å; V98-Y168 CarbonylContact C-O 3.51Å; V98-Y168 WeakPolarHBondContact CA-O 3.29Å; G99-Y168 PolarHBondContact N-O 2.92Å; G99-Y168 PolarHBondContact O-N 3.26Å; N101-Y168 HydrophobicContact CB-CE2 3.82Å; N101-Y168 PolarHBondContact ND2-OH 3.18Å; Q139-Y168 HydrophobicContact CG-CD1 4Å; Q139-Y168 HydrophobicContact CG-CD2 3.24Å; Q139-Y168 HydrophobicContact CG-CE1 4.21Å; Q139-Y168 HydrophobicContact CG-CE2 3.48Å; Q139-Y168 VanDerWaalsContact CG-CE2 3.48Å; Q139-Y168 HydrophobicContact CG-CG 3.51Å; T145-Y168 HydrophobicContact CG2-CD1 4.06Å; T145-Y168 HydrophobicContact CG2-CG 4.37Å; D147-Y168 WeakPolarHBondContact O-CA 3.36Å; I148-Y168 HydrophobicContact CB-CD1 4.47Å; I148-Y168 HydrophobicContact CD1-CD1 4.15Å; I148-Y168 HydrophobicContact CD1-CE1 3.55Å; I148-Y168 HydrophobicContact CG1-CD1 4.08Å; I148-Y168 HydrophobicContact CG1-CE1 3.96Å; C166-Y168 HydrophobicContact CB-CE2 3.83Å; C166-Y168 WeakPolarHBondContact CB-OH 3.42Å; C166-Y168 WeakPolarHBondContact O-CD2 3.46Å; C166-Y168 WeakPolarHBondContact O-CE2 3.36Å; Y168-P170 CarbonylContact O-C 3.58Å; Y168-G171 WeakPolarHBondContact O-CA 3.48Å; Y168-G171 PolarHBondContact O-N 3.38Å; Y168-G171 VanDerWaalsContact O-N 3.12Å
169	G	97.4	Very high	86.7	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.1	-177.5	0	0	0	0	0	112.5	F95 T146 D147	F95-G169 VanDerWaalsContact CD1-CA 3.43Å; F95-G169 VanDerWaalsContact CE1-C 3.45Å; T146-G169 PolarHBondContact N-O 2.8Å; T146-G169 PolarHBondContact OG1-O 2.9Å; D147-G169 PolarHBondContact N-O 3.01Å; D147-G169 PolarHBondContact O-N 3.12Å
170	P	96.1	Very high	86.9	Confident	37 Å²	37	36 Å²	36	24%	0.24	19%	0.194	C	C	.	.	S	Bend	cis	-59	153.2	-24.9	29.7	-35.6	0	0	0	111	N97 N144 T145 Y168	N97-P170 WeakPolarHBondContact O-CA 3.39Å; N97-P170 WeakPolarHBondContact OD1-CB 3.15Å; N144-P170 WeakPolarHBondContact O-CD 3.22Å; N144-P170 WeakPolarHBondContact O-CG 3.35Å; T145-P170 WeakPolarHBondContact CB-O 3.47Å; T145-P170 PolarHBondContact OG1-O 2.85Å; Y168-P170 CarbonylContact O-C 3.58Å
171	G	93.2	Very high	87	Confident	6 Å²	6	35.6 Å²	35.6	6%	0.062	20%	0.199	C	C	.	.			trans	-63.3	144.9	174.5	0	0	0	0	0	112.2	N97 Y168	N97-G171 WeakPolarHBondContact ND2-CA 3.18Å; N97-G171 PolarHBondContact ND2-N 3.18Å; N97-G171 PolarHBondContact ND2-O 3.13Å; N97-G171 PolarHBondContact O-N 2.98Å; Y168-G171 WeakPolarHBondContact O-CA 3.48Å; Y168-G171 PolarHBondContact O-N 3.38Å; Y168-G171 VanDerWaalsContact O-N 3.12Å
172	G	88	Confident	86.8	Confident	14 Å²	14	30.6 Å²	30.6	14%	0.144	18%	0.181	C	C	.	.			trans	-84.9	-156.3	168.6	0	0	0	0	0	112.3	W142	W142-G172 VanDerWaalsContact CD1-CA 3.48Å; W142-G172 VanDerWaalsContact CG-CA 3.49Å
173	G	68.1	Low	85.9	Confident	46 Å²	46	35.6 Å²	35.6	47%	0.474	20%	0.201	S	C	.	.			trans	81.1	18.7	168.8	0	0	0	0	0	114.8	P175	G173-P175 WeakPolarHBondContact O-CD 3.44Å; G173-P175 VanDerWaalsContact O-N 3.08Å
174	C	58.7	Low	84.4	Confident	39 Å²	39	38.4 Å²	38.4	26%	0.264	23%	0.23	S	C	.	.			trans	-58.6	112.9	162.8	-79.1	0	0	0	0	108.3	W142 R176 Q177	W142-C174 HydrophobicContact CH2-CB 4.28Å; W142-C174 HydrophobicContact CZ2-CB 4.14Å; C174-R176 PolarHBondContact O-N 3.47Å; C174-Q177 HydrophobicContact CB-CB 4.18Å; C174-Q177 HydrophobicContact CB-CG 3.91Å; C174-Q177 PolarHBondContact O-N 3.01Å; C174-Q177 VanDerWaalsContact O-N 3.13Å
175	P	53.9	Low	81.9	Confident	96 Å²	96	46.1 Å²	46.1	62%	0.623	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	134.6	-179.1	-25.6	35.8	0	0	0	109.6	G173 Q177	G173-P175 WeakPolarHBondContact O-CD 3.44Å; G173-P175 VanDerWaalsContact O-N 3.08Å; P175-Q177 VanDerWaalsContact C-N 3.27Å; P175-Q177 PolarHBondContact O-N 3.18Å
176	R	58.2	Low	79.5	Confident	93 Å²	93	50.7 Å²	50.7	35%	0.351	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	5.2	178.4	-45.5	119.2	166.8	-64.1	-23.8	117.1	R127 C174 P208 V209	R127-R176 VanDerWaalsContact CD-C 3.5Å; R127-R176 WeakPolarHBondContact CD-O 3.32Å; R127-R176 PolarHBondContact NE-O 2.64Å; R127-R176 VanDerWaalsContact NE-O 3.09Å; C174-R176 PolarHBondContact O-N 3.47Å; R176-P208 VanDerWaalsContact CZ-CA 3.45Å; R176-V209 VanDerWaalsContact NH1-CB 3.29Å; R176-V209 PolarHBondContact NH1-O 3.42Å; R176-V209 PolarHBondContact NH2-O 3.17Å
177	Q	75.8	Confident	76.2	Confident	95 Å²	95	60.5 Å²	60.5	44%	0.444	33%	0.326	S	S	.	.	S	Bend	trans	-80.7	148.1	159.1	-68.2	-176.5	-5.1	0	0	108.9	W142 C174 P175	W142-Q177 HydrophobicContact CH2-CB 3.81Å; W142-Q177 HydrophobicContact CZ2-CB 4.08Å; C174-Q177 HydrophobicContact CB-CB 4.18Å; C174-Q177 HydrophobicContact CB-CG 3.91Å; C174-Q177 PolarHBondContact O-N 3.01Å; C174-Q177 VanDerWaalsContact O-N 3.13Å; P175-Q177 VanDerWaalsContact C-N 3.27Å; P175-Q177 PolarHBondContact O-N 3.18Å
178	F	88.3	Confident	73.1	Confident	90 Å²	90	66.8 Å²	66.8	40%	0.395	36%	0.355	S	S	.	.			trans	-72.2	142.2	166.4	-65.1	-82.5	0	0	0	107.9	F124 R127 Y180	F124-F178 AromaticContact CD1-CD1 3.65Å; F124-F178 HydrophobicContact CD1-CD1 3.65Å; F124-F178 AromaticContact CD1-CE1 3.84Å; F124-F178 HydrophobicContact CD1-CE1 3.84Å; F124-F178 HydrophobicContact CE1-CB 4.31Å; F124-F178 AromaticContact CE1-CD1 3.18Å; F124-F178 HydrophobicContact CE1-CD1 3.18Å; F124-F178 AromaticContact CE1-CE1 3.63Å; F124-F178 HydrophobicContact CE1-CE1 3.63Å; F124-F178 AromaticContact CE1-CG 3.99Å; F124-F178 HydrophobicContact CE1-CG 3.99Å; F124-F178 HydrophobicContact CE2-CB 4.44Å; F124-F178 HydrophobicContact CE2-CD1 4.31Å; F124-F178 HydrophobicContact CG-CD1 4.4Å; F124-F178 HydrophobicContact CZ-CB 3.84Å; F124-F178 AromaticContact CZ-CD1 3.57Å; F124-F178 HydrophobicContact CZ-CD1 3.57Å; F124-F178 HydrophobicContact CZ-CE1 4.44Å; F124-F178 HydrophobicContact CZ-CG 4.05Å; F124-F178 WeakPolarHBondContact O-CD1 3.44Å; F124-F178 WeakPolarHBondContact O-CE1 2.97Å; R127-F178 HydrophobicContact CG-CD1 3.74Å; R127-F178 HydrophobicContact CG-CE1 3.76Å; R127-F178 HydrophobicContact CG-CG 4.36Å; R127-F178 HydrophobicContact CG-CZ 4.34Å; F178-Y180 PolarHBondContact O-N 2.99Å
179	P	93.4	Very high	69.8	Low	2 Å²	2	77.7 Å²	77.7	1%	0.013	40%	0.397	C	S	.	.	S	Bend	trans	-62.7	-26.6	176.4	23.8	-31.7	0	0	0	112	Y122 F124 T138 V141 W142 E143	Y122-P179 HydrophobicContact CE1-CG 4.02Å; Y122-P179 WeakPolarHBondContact OH-CD 2.98Å; F124-P179 HydrophobicContact CD2-CG 4.16Å; F124-P179 HydrophobicContact CE2-CG 3.78Å; T138-P179 HydrophobicContact CG2-CB 4.41Å; T138-P179 HydrophobicContact CG2-CG 4.26Å; V141-P179 HydrophobicContact CG2-CB 3.97Å; V141-P179 HydrophobicContact CG2-CG 4.32Å; W142-P179 CarbonylContact C-O 3.44Å; W142-P179 VanDerWaalsContact CA-O 3.3Å; W142-P179 WeakPolarHBondContact CA-O 3.38Å; W142-P179 HydrophobicContact CE3-CB 3.79Å; W142-P179 HydrophobicContact CZ3-CB 4.13Å; E143-P179 PolarHBondContact N-O 3.46Å
180	Y	93.8	Very high	66.5	Low	3 Å²	3	84 Å²	84	1%	0.012	44%	0.435	C	S	.	.	S	Bend	trans	-152.6	159.9	178	53.1	-97	0	0	0	111.8	V46 P55 A57 I60 F124 V141 F178 V182	V46-Y180 HydrophobicContact CG1-CD1 4.06Å; V46-Y180 HydrophobicContact CG1-CD2 4.17Å; V46-Y180 HydrophobicContact CG1-CE1 3.48Å; V46-Y180 VanDerWaalsContact CG1-CE1 3.48Å; V46-Y180 HydrophobicContact CG1-CE2 3.57Å; V46-Y180 HydrophobicContact CG1-CG 4.38Å; V46-Y180 VanDerWaalsContact CG1-OH 3.31Å; V46-Y180 WeakPolarHBondContact CG1-OH 3.35Å; V46-Y180 HydrophobicContact CG2-CE1 4.44Å; P55-Y180 WeakPolarHBondContact CD-OH 3.49Å; P55-Y180 HydrophobicContact CG-CE2 4.23Å; P55-Y180 VanDerWaalsContact O-CE2 3.31Å; P55-Y180 WeakPolarHBondContact O-CE2 3.25Å; P55-Y180 PolarHBondContact O-OH 3.1Å; A57-Y180 HydrophobicContact CB-CD2 3.43Å; A57-Y180 VanDerWaalsContact CB-CD2 3.43Å; A57-Y180 HydrophobicContact CB-CE2 3.84Å; A57-Y180 HydrophobicContact CB-CG 3.94Å; I60-Y180 HydrophobicContact CD1-CD1 3.95Å; I60-Y180 HydrophobicContact CD1-CG 3.8Å; F124-Y180 HydrophobicContact CD2-CE1 4.02Å; F124-Y180 HydrophobicContact CD2-CE2 4.16Å; F124-Y180 AromaticContact CD2-CZ 3.65Å; F124-Y180 AromaticContact CE2-CD1 3.97Å; F124-Y180 HydrophobicContact CE2-CD1 3.97Å; F124-Y180 AromaticContact CE2-CD2 3.78Å; F124-Y180 HydrophobicContact CE2-CD2 3.78Å; F124-Y180 AromaticContact CE2-CE1 3.51Å; F124-Y180 HydrophobicContact CE2-CE1 3.51Å; F124-Y180 AromaticContact CE2-CE2 3.35Å; F124-Y180 HydrophobicContact CE2-CE2 3.35Å; F124-Y180 HydrophobicContact CE2-CG 4.08Å; F124-Y180 AromaticContact CE2-CZ 3.2Å; F124-Y180 AromaticContact CZ-CD2 3.93Å; F124-Y180 HydrophobicContact CZ-CD2 3.93Å; F124-Y180 AromaticContact CZ-CE2 3.7Å; F124-Y180 HydrophobicContact CZ-CE2 3.7Å; F124-Y180 HydrophobicContact CZ-CG 4.49Å; F124-Y180 WeakPolarHBondContact CZ-O 3.41Å; V141-Y180 HydrophobicContact CB-CD1 4.1Å; V141-Y180 HydrophobicContact CB-CE1 4.33Å; V141-Y180 HydrophobicContact CG2-CD1 3.93Å; V141-Y180 HydrophobicContact CG2-CE1 3.94Å; F178-Y180 PolarHBondContact O-N 2.99Å; Y180-V182 HydrophobicContact CD2-CG2 4.39Å; Y180-V182 HydrophobicContact CE2-CG2 4.2Å
181	S	90.5	Very high	63.3	Low	57 Å²	57	88 Å²	88	40%	0.399	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-74.6	143.3	170.5	-57.3	0	0	0	0	110.7	A57 K58 E143	A57-S181 CarbonylContact C-O 3.32Å; A57-S181 WeakPolarHBondContact CA-O 3.43Å; K58-S181 PolarHBondContact N-O 2.92Å; E143-S181 VanDerWaalsContact OE2-CB 3.32Å; E143-S181 WeakPolarHBondContact OE2-CB 3.41Å; E143-S181 PolarHBondContact OE2-N 2.81Å; E143-S181 PolarHBondContact OE2-OG 2.95Å
182	V	87.6	Confident	60.2	Low	35 Å²	35	96.7 Å²	96.7	21%	0.212	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-99.3	141.8	-173.2	176.5	0	0	0	0	112.2	P55 I56 F124 Y180 G184 Y186	P55-V182 HydrophobicContact CB-CG1 3.76Å; P55-V182 HydrophobicContact CB-CG2 3.98Å; P55-V182 HydrophobicContact CG-CG1 4.46Å; P55-V182 HydrophobicContact CG-CG2 3.78Å; I56-V182 CarbonylContact O-C 3.6Å; I56-V182 WeakPolarHBondContact O-CA 3.48Å; I56-V182 WeakPolarHBondContact O-CG1 3.49Å; F124-V182 HydrophobicContact CD1-CG2 4.31Å; F124-V182 HydrophobicContact CE1-CG2 3.28Å; F124-V182 HydrophobicContact CE2-CG2 4.44Å; F124-V182 HydrophobicContact CZ-CG2 3.37Å; Y180-V182 HydrophobicContact CD2-CG2 4.39Å; Y180-V182 HydrophobicContact CE2-CG2 4.2Å; V182-G184 PolarHBondContact O-N 2.76Å; V182-Y186 HydrophobicContact CB-CD2 4.32Å; V182-Y186 HydrophobicContact CG1-CD2 2.95Å; V182-Y186 HydrophobicContact CG1-CE2 3.07Å; V182-Y186 HydrophobicContact CG1-CG 3.83Å
183	K	77	Confident	57.5	Low	133 Å²	133	101.3 Å²	101.3	58%	0.578	50%	0.503	S	S	*	.	S	Bend	trans	-77	117.7	177.2	-168.5	174.6	179.9	178.1	0	110.3	I56 Y186	I56-K183 HydrophobicContact CB-CB 4.27Å; I56-K183 HydrophobicContact CG2-CB 3.89Å; I56-K183 HydrophobicContact CG2-CD 4.16Å; I56-K183 PolarHBondContact O-N 3.39Å; K183-Y186 VanDerWaalsContact O-CE2 3.26Å; K183-Y186 WeakPolarHBondContact O-CE2 3.48Å
184	G	62.9	Low	55.7	Low	61 Å²	61	102.6 Å²	102.6	63%	0.629	52%	0.516	S	S	*	.	S	Bend	trans	85.1	169.1	178.3	0	0	0	0	0	113.5	V182 Y186	V182-G184 PolarHBondContact O-N 2.76Å; G184-Y186 PolarHBondContact O-N 3.05Å
185	L	44.8	Very low	54.2	Low	162 Å²	162	112.1 Å²	112.1	85%	0.848	55%	0.546	S	S	*	.			trans	-74	85.8	170.4	-65.4	170.8	0	0	0	107.5	R187	L185-R187 PolarHBondContact O-N 3.11Å
186	Y	46.2	Very low	53	Low	95 Å²	95	116.1 Å²	116.1	37%	0.373	55%	0.554	S	S	.	*			trans	-64.8	90.2	147.9	-72.8	-104.3	0	0	0	104.1	P55 I56 F125 V182 K183 G184 Q188	P55-Y186 HydrophobicContact CB-CD1 4.2Å; P55-Y186 HydrophobicContact CB-CD2 4.41Å; P55-Y186 HydrophobicContact CB-CE1 3.76Å; P55-Y186 HydrophobicContact CB-CE2 3.93Å; P55-Y186 HydrophobicContact CB-CG 4.47Å; I56-Y186 WeakPolarHBondContact CG1-OH 3.45Å; I56-Y186 PolarHBondContact N-OH 3.38Å; F125-Y186 HydrophobicContact CE1-CD1 4.06Å; F125-Y186 HydrophobicContact CE1-CG 4.16Å; F125-Y186 AromaticContact CZ-CD1 3.56Å; F125-Y186 HydrophobicContact CZ-CD1 3.56Å; F125-Y186 HydrophobicContact CZ-CE1 4.22Å; F125-Y186 HydrophobicContact CZ-CG 4.12Å; V182-Y186 HydrophobicContact CB-CD2 4.32Å; V182-Y186 HydrophobicContact CG1-CD2 2.95Å; V182-Y186 HydrophobicContact CG1-CE2 3.07Å; V182-Y186 HydrophobicContact CG1-CG 3.83Å; K183-Y186 VanDerWaalsContact O-CE2 3.26Å; K183-Y186 WeakPolarHBondContact O-CE2 3.48Å; G184-Y186 PolarHBondContact O-N 3.05Å; Y186-Q188 PolarHBondContact O-N 3.34Å
187	R	29.9	Very low	51.4	Low	206 Å²	206	122.8 Å²	122.8	78%	0.777	58%	0.579	S	S	*	*			trans	-52.8	107.8	163.2	-79.4	-174.4	170.8	-163.6	-1.7	103.1	L185 W189	L185-R187 PolarHBondContact O-N 3.11Å; R187-W189 PolarHBondContact O-N 3.43Å
188	Q	33.3	Very low	49.1	Very low	133 Å²	133	127.6 Å²	127.6	62%	0.621	60%	0.595	S	S	*	*			trans	-51.7	99.2	162.2	-169.7	175.9	22.9	0	0	102.7	Y186 T190	Y186-Q188 PolarHBondContact O-N 3.34Å; Q188-T190 PolarHBondContact O-N 3.48Å
189	W	27.8	Very low	46.1	Very low	229 Å²	229	128 Å²	128	87%	0.867	61%	0.608	S	S	*	*			trans	-53.3	115.4	177.5	-81.2	94.6	0	0	0	103.7	R187 I191	R187-W189 PolarHBondContact O-N 3.43Å; W189-I191 PolarHBondContact O-N 3.18Å
190	T	28.4	Very low	43	Very low	131 Å²	131	139 Å²	139	80%	0.804	65%	0.65	S	S	*	*			trans	-64.6	91.8	-165.2	-26.1	0	0	0	0	106.6	Q188 K192	Q188-T190 PolarHBondContact O-N 3.48Å; T190-K192 PolarHBondContact O-N 2.68Å
191	I	29.8	Very low	40.2	Very low	121 Å²	121	149.5 Å²	149.5	62%	0.621	69%	0.69	S	S	*	*			trans	-73	93.1	168.2	-61.4	177.7	0	0	0	104.3	W189 Y193	W189-I191 PolarHBondContact O-N 3.18Å; I191-Y193 HydrophobicContact CG2-CD2 4.02Å; I191-Y193 HydrophobicContact CG2-CE2 4.07Å; I191-Y193 PolarHBondContact O-N 2.93Å; I191-Y193 VanDerWaalsContact O-N 3.09Å
192	K	27.8	Very low	37.1	Very low	189 Å²	189	158.7 Å²	158.7	82%	0.822	72%	0.717	S	S	*	*			trans	-66.5	101.6	-178.1	-157.3	-178.9	-170.2	-179.5	0	108.6	T190	T190-K192 PolarHBondContact O-N 2.68Å
193	Y	31.8	Very low	34.5	Very low	112 Å²	112	160.2 Å²	160.2	44%	0.439	74%	0.74	S	S	.	*			trans	-127.3	134.7	155.1	-79	-69.6	0	0	0	111	I191 R214	I191-Y193 HydrophobicContact CG2-CD2 4.02Å; I191-Y193 HydrophobicContact CG2-CE2 4.07Å; I191-Y193 PolarHBondContact O-N 2.93Å; I191-Y193 VanDerWaalsContact O-N 3.09Å; Y193-R214 HydrophobicContact CD2-CB 4.3Å; Y193-R214 HydrophobicContact CE1-CB 3.93Å; Y193-R214 HydrophobicContact CE1-CG 4.28Å; Y193-R214 HydrophobicContact CE2-CB 3.56Å; Y193-R214 WeakPolarHBondContact OH-CB 3.49Å; Y193-R214 WeakPolarHBondContact OH-CD 3.4Å
194	G	29.3	Very low	32.4	Very low	72 Å²	72	165.6 Å²	165.6	74%	0.742	76%	0.757	S	S	*	*			trans	-76.8	150.4	-161	0	0	0	0	0	115.8
195	R	27.4	Very low	31.5	Very low	240 Å²	240	173.9 Å²	173.9	91%	0.906	77%	0.769	S	S	*	*			trans	48.6	99.1	153.8	-50.9	-169.8	-155.7	-177.7	7.1	117.8
196	K	28	Very low	30.8	Very low	179 Å²	179	171 Å²	171	78%	0.778	76%	0.762	S	S	*	*				-169.2	134.6	108.7	-106.5	177.5	177.7	179.3	0	110.6
197	W	24.8	Very low	30.2	Very low	234 Å²	234	177 Å²	177	89%	0.886	78%	0.784	S	S	*	*			trans	-81.3	138	-174.4	-66.8	86.8	0	0	0	112
198	Y	27.5	Very low	30.3	Very low	195 Å²	195	171.8 Å²	171.8	77%	0.765	78%	0.777	S	S	*	*			trans	-148.2	107.8	148.1	-48.1	-80.2	0	0	0	108.2
199	S	25.8	Very low	30.3	Very low	98 Å²	98	170.2 Å²	170.2	69%	0.685	78%	0.775	S	S	*	*			trans	-73.7	144.6	151.9	67.4	0	0	0	0	106.5
200	W	28.6	Very low	30.5	Very low	235 Å²	235	169.5 Å²	169.5	89%	0.89	77%	0.774	S	S	*	*			trans	-170.1	142.5	145.9	-91.5	107.7	0	0	0	110
201	R	34.2	Very low	30.7	Very low	222 Å²	222	169.3 Å²	169.3	84%	0.838	77%	0.773	S	S	*	*			trans	-53.4	148.6	-175.2	-71.6	168.1	-176.9	177	0.2	113.3	G203	R201-G203 PolarHBondContact O-N 2.95Å
202	Y	27.1	Very low	31.3	Very low	250 Å²	250	172.8 Å²	172.8	98%	0.98	78%	0.783	S	S	*	*			trans	-46.6	116.5	165.4	-84.3	-99.1	0	0	0	111
203	G	31.5	Very low	31.9	Very low	67 Å²	67	168.1 Å²	168.1	69%	0.691	76%	0.764	S	S	*	*			trans	-157.3	130.8	177.4	0	0	0	0	0	109.9	R201 R205	R201-G203 PolarHBondContact O-N 2.95Å; G203-R205 PolarHBondContact O-N 2.73Å
204	R	33.9	Very low	32.5	Very low	247 Å²	247	171.1 Å²	171.1	93%	0.932	78%	0.775	S	S	*	*	S	Bend	trans	-58.5	121.5	-166.2	-58.9	174.4	-133.1	-165.3	2.3	112.9
205	R	43	Very low	32.9	Very low	234 Å²	234	169.6 Å²	169.6	88%	0.883	75%	0.753	S	S	*	*	S	Bend	trans	144.4	119.1	153.9	-81.3	168.5	-153.3	-178	7.7	109.6	G203 R207	G203-R205 PolarHBondContact O-N 2.73Å; R205-R207 PolarHBondContact O-N 3.35Å
206	C	31	Very low	34.2	Very low	103 Å²	103	161.7 Å²	161.7	70%	0.696	73%	0.728	S	S	*	*			trans	-55.7	120	-179.1	-60.5	0	0	0	0	111.7
207	R	33.6	Very low	35.6	Very low	220 Å²	220	159.9 Å²	159.9	83%	0.83	72%	0.722	S	S	*	*			trans	-128.2	143.6	170.3	-77.4	-166	179.1	-162	1.2	112.2	R205	R205-R207 PolarHBondContact O-N 3.35Å
208	P	31.2	Very low	37.2	Very low	97 Å²	97	152.6 Å²	152.6	63%	0.63	70%	0.704	S	S	*	*			trans	-82.9	157.7	-178	31.2	-32.7	0	0	0	115.6	R176	R176-P208 VanDerWaalsContact CZ-CA 3.45Å
209	V	34.7	Very low	38.4	Very low	99 Å²	99	146.5 Å²	146.5	60%	0.6	68%	0.684	S	S	*	*			trans	-158.6	104.6	-176.1	-174.5	0	0	0	0	110.9	R176	R176-V209 VanDerWaalsContact NH1-CB 3.29Å; R176-V209 PolarHBondContact NH1-O 3.42Å; R176-V209 PolarHBondContact NH2-O 3.17Å
210	Y	30.4	Very low	39.8	Very low	214 Å²	214	144.9 Å²	144.9	84%	0.839	67%	0.666	S	S	*	*			trans	-74.1	153.2	179.8	-66.4	-95.3	0	0	0	113
211	V	33.6	Very low	41.3	Very low	127 Å²	127	142.5 Å²	142.5	77%	0.77	66%	0.657	S	S	*	*			trans	-140.1	133.4	165.3	-168.8	0	0	0	0	111.3
212	K	42.1	Very low	42.4	Very low	194 Å²	194	138 Å²	138	84%	0.843	65%	0.645	S	S	*	*			trans	-87.2	140.2	-178.2	-82.5	176.7	169.2	176.4	0	112.9
213	Q	40.9	Very low	43.6	Very low	92 Å²	92	127.6 Å²	127.6	43%	0.43	61%	0.607	S	S	.	*			trans	-86.3	152	160	-97.4	163.5	-21.2	0	0	110.9	L241	Q213-L241 HydrophobicContact CB-CD2 4.25Å; Q213-L241 HydrophobicContact CG-CD2 4.16Å
214	R	43.3	Very low	45	Very low	175 Å²	175	129.2 Å²	129.2	66%	0.66	60%	0.599	S	S	*	*			trans	-133.1	138.5	165.9	-164.6	-166	-77.4	-171.4	-9.2	109	Y193	Y193-R214 HydrophobicContact CD2-CB 4.3Å; Y193-R214 HydrophobicContact CE1-CB 3.93Å; Y193-R214 HydrophobicContact CE1-CG 4.28Å; Y193-R214 HydrophobicContact CE2-CB 3.56Å; Y193-R214 WeakPolarHBondContact OH-CB 3.49Å; Y193-R214 WeakPolarHBondContact OH-CD 3.4Å
215	C	39.4	Very low	46.3	Very low	40 Å²	40	127.9 Å²	127.9	27%	0.27	59%	0.594	S	S	.	*			trans	-66.6	143.4	173.5	-85.9	0	0	0	0	114.1	L241 C242	C215-L241 PolarHBondContact SG-O 2.73Å; C215-C242 HydrophobicContact CB-CB 3.83Å; C215-C242 WeakPolarHBondContact CB-SG 3.49Å; C215-C242 WeakPolarHBondContact SG-CA 3.37Å; C215-C242 WeakPolarHBondContact SG-CB 3.41Å; C215-C242 PolarHBondContact SG-N 2.99Å; C215-C242 CovalentContact SG-SG 1.99Å; C215-C242 PolarHBondContact SG-SG 3.34Å
216	N	53.5	Low	46.7	Very low	74 Å²	74	119.1 Å²	119.1	40%	0.396	57%	0.567	S	S	.	*			trans	-127.9	139.1	175.3	158.1	-5.1	0	0	0	106.9	T218 N219 E220	N216-T218 PolarHBondContact O-N 2.92Å; N216-T218 VanDerWaalsContact O-N 3.13Å; N216-T218 WeakPolarHBondContact OD1-CB 3.32Å; N216-T218 PolarHBondContact OD1-N 3.01Å; N216-T218 PolarHBondContact OD1-OG1 3.46Å; N216-N219 WeakPolarHBondContact O-CA 3.35Å; N216-N219 WeakPolarHBondContact O-CB 3.39Å; N216-N219 PolarHBondContact O-N 3.28Å; N216-E220 PolarHBondContact O-N 3.27Å
217	H	57	Low	47.7	Very low	141 Å²	141	118.4 Å²	118.4	65%	0.653	56%	0.561	S	S	*	*	H	α-helix	trans	-49.9	-34.2	178.4	-79.5	-58.6	0	0	0	114.6	E220 R221	H217-E220 IonicContact ND1-OE2 3.78Å; H217-E220 PolarHBondContact O-N 3.46Å; H217-R221 WeakPolarHBondContact O-CG 3.44Å; H217-R221 PolarHBondContact O-N 3.34Å
218	T	59.1	Low	48.2	Very low	81 Å²	81	112 Å²	112	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-64.7	-43	175.5	-50.3	0	0	0	0	111.5	N216 E220 R221 Q222	N216-T218 PolarHBondContact O-N 2.92Å; N216-T218 VanDerWaalsContact O-N 3.13Å; N216-T218 WeakPolarHBondContact OD1-CB 3.32Å; N216-T218 PolarHBondContact OD1-N 3.01Å; N216-T218 PolarHBondContact OD1-OG1 3.46Å; T218-E220 VanDerWaalsContact C-N 3.34Å; T218-R221 PolarHBondContact O-N 3.37Å; T218-Q222 WeakPolarHBondContact O-CG 3.13Å; T218-Q222 PolarHBondContact O-N 3.49Å
219	N	52.4	Low	48.7	Very low	67 Å²	67	115.1 Å²	115.1	36%	0.358	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-39.8	176.9	-64.8	-5	0	0	0	110.2	N216 Q222 L223	N216-N219 WeakPolarHBondContact O-CA 3.35Å; N216-N219 WeakPolarHBondContact O-CB 3.39Å; N216-N219 PolarHBondContact O-N 3.28Å; N219-Q222 PolarHBondContact O-N 3.14Å; N219-L223 VanDerWaalsContact O-CB 3.31Å; N219-L223 WeakPolarHBondContact O-CB 3.04Å; N219-L223 WeakPolarHBondContact O-CD1 3.34Å; N219-L223 WeakPolarHBondContact O-CG 3.42Å; N219-L223 PolarHBondContact O-N 2.77Å
220	E	54.9	Low	49.2	Very low	64 Å²	64	113.9 Å²	113.9	30%	0.299	55%	0.552	S	S	.	*	H	α-helix	trans	-62.4	-43.3	176.1	-165.8	176.3	-169.7	0	0	112.2	N216 H217 T218 L223 N224 K238	N216-E220 PolarHBondContact O-N 3.27Å; H217-E220 IonicContact ND1-OE2 3.78Å; H217-E220 PolarHBondContact O-N 3.46Å; T218-E220 VanDerWaalsContact C-N 3.34Å; E220-L223 PolarHBondContact O-N 2.97Å; E220-N224 PolarHBondContact O-N 3.26Å; E220-N224 PolarHBondContact O-ND2 3.42Å; E220-K238 IonicContact OE1-NZ 3.91Å
221	R	61	Low	49.7	Very low	185 Å²	185	111 Å²	111	70%	0.698	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-41.3	175.2	-74	-178.3	-170.5	-174.5	3.4	112.6	H217 T218 N224	H217-R221 WeakPolarHBondContact O-CG 3.44Å; H217-R221 PolarHBondContact O-N 3.34Å; T218-R221 PolarHBondContact O-N 3.37Å; R221-N224 PolarHBondContact O-N 3.45Å
222	Q	56.7	Low	50.3	Low	126 Å²	126	113.1 Å²	113.1	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-41.2	176.2	-75.7	-178.3	-9.2	0	0	112	T218 N219 N224 R225	T218-Q222 WeakPolarHBondContact O-CG 3.13Å; T218-Q222 PolarHBondContact O-N 3.49Å; N219-Q222 PolarHBondContact O-N 3.14Å; Q222-N224 PolarHBondContact O-N 3.11Å; Q222-R225 PolarHBondContact O-N 2.9Å
223	L	52.8	Low	50.4	Low	33 Å²	33	109.6 Å²	109.6	17%	0.173	52%	0.524	C	S	.	.	H	α-helix	trans	-64.1	-26.9	176	-72.8	166.3	0	0	0	112.9	N219 E220 T226 Y234 I237 L241	N219-L223 VanDerWaalsContact O-CB 3.31Å; N219-L223 WeakPolarHBondContact O-CB 3.04Å; N219-L223 WeakPolarHBondContact O-CD1 3.34Å; N219-L223 WeakPolarHBondContact O-CG 3.42Å; N219-L223 PolarHBondContact O-N 2.77Å; E220-L223 PolarHBondContact O-N 2.97Å; L223-T226 PolarHBondContact O-OG1 2.97Å; L223-Y234 HydrophobicContact CD2-CD1 4.08Å; L223-Y234 HydrophobicContact CD2-CE1 4.43Å; L223-I237 HydrophobicContact CD2-CG2 3.76Å; L223-L241 HydrophobicContact CD1-CD1 4.26Å
224	N	59.5	Low	50.8	Low	100 Å²	100	107.1 Å²	107.1	54%	0.535	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.5	177.7	-69.1	-24.3	0	0	0	113.9	E220 R221 Q222	E220-N224 PolarHBondContact O-N 3.26Å; E220-N224 PolarHBondContact O-ND2 3.42Å; R221-N224 PolarHBondContact O-N 3.45Å; Q222-N224 PolarHBondContact O-N 3.11Å
225	R	61.8	Low	50.8	Low	220 Å²	220	106.3 Å²	106.3	83%	0.83	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.3	-171.9	-82.9	-175.1	176.3	-172.8	-1.6	115.8	Q222	Q222-R225 PolarHBondContact O-N 2.9Å
226	T	52.1	Low	50.9	Low	49 Å²	49	107.6 Å²	107.6	30%	0.301	52%	0.516	S	S	.	.	S	Bend	trans	-112.7	139.9	-158.5	20.2	0	0	0	0	112.9	L223 Q230 Y234	L223-T226 PolarHBondContact O-OG1 2.97Å; T226-Q230 VanDerWaalsContact CG2-OE1 3.31Å; T226-Y234 WeakPolarHBondContact CB-OH 3.42Å; T226-Y234 HydrophobicContact CG2-CE2 4.24Å; T226-Y234 WeakPolarHBondContact CG2-OH 3.41Å; T226-Y234 WeakPolarHBondContact OG1-CE2 3.27Å; T226-Y234 PolarHBondContact OG1-OH 2.71Å
227	P	52.7	Low	50.4	Low	89 Å²	89	106.3 Å²	106.3	58%	0.578	51%	0.509	S	S	*	.			trans	-48.1	159.2	-168.2	-22.9	12.5	0	0	0	119.1	I229 Q230 K231	P227-I229 PolarHBondContact O-N 3.16Å; P227-I229 VanDerWaalsContact O-N 3.12Å; P227-Q230 VanDerWaalsContact N-OE1 3.09Å; P227-Q230 WeakPolarHBondContact O-CA 3.5Å; P227-Q230 VanDerWaalsContact O-CB 3.29Å; P227-Q230 WeakPolarHBondContact O-CB 3.43Å; P227-Q230 PolarHBondContact O-N 3.33Å; P227-K231 PolarHBondContact O-N 3.05Å
228	A	44.2	Very low	49.8	Very low	84 Å²	84	103 Å²	103	69%	0.694	49%	0.492	S	S	*	.	H	α-helix	trans	-54.2	-34.1	-171.3	0	0	0	0	0	116.6	Q230 K231	A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.46Å; A228-K231 WeakPolarHBondContact O-CB 3.5Å; A228-K231 PolarHBondContact O-N 3.1Å; A228-K231 VanDerWaalsContact O-N 3.12Å
229	I	39.8	Very low	49.1	Very low	164 Å²	164	105.5 Å²	105.5	84%	0.841	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	-36.4	175.6	-67.7	172.8	0	0	0	110.8	P227 K231	P227-I229 PolarHBondContact O-N 3.16Å; P227-I229 VanDerWaalsContact O-N 3.12Å; I229-K231 PolarHBondContact O-N 3.37Å
230	Q	45.3	Very low	48.6	Very low	73 Å²	73	110 Å²	110	34%	0.341	51%	0.512	S	S	.	.	H	α-helix	trans	-74	-18.8	176.4	-56.4	170.3	-42.2	0	0	110.7	T226 P227 A228 K232 R233 Y234	T226-Q230 VanDerWaalsContact CG2-OE1 3.31Å; P227-Q230 VanDerWaalsContact N-OE1 3.09Å; P227-Q230 WeakPolarHBondContact O-CA 3.5Å; P227-Q230 VanDerWaalsContact O-CB 3.29Å; P227-Q230 WeakPolarHBondContact O-CB 3.43Å; P227-Q230 PolarHBondContact O-N 3.33Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.46Å; Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 2.79Å; Q230-R233 CarbonylContact O-C 3.6Å; Q230-R233 WeakPolarHBondContact O-CA 3.29Å; Q230-R233 VanDerWaalsContact O-CB 3.31Å; Q230-R233 WeakPolarHBondContact O-CB 3.1Å; Q230-R233 PolarHBondContact O-N 3.22Å; Q230-Y234 HydrophobicContact CB-CD2 3.73Å; Q230-Y234 HydrophobicContact CB-CE1 4.32Å; Q230-Y234 HydrophobicContact CB-CE2 2.92Å; Q230-Y234 VanDerWaalsContact CB-OH 3.22Å; Q230-Y234 WeakPolarHBondContact CB-OH 3.42Å; Q230-Y234 HydrophobicContact CG-CE2 4.07Å; Q230-Y234 WeakPolarHBondContact CG-OH 3.43Å; Q230-Y234 PolarHBondContact NE2-OH 2.85Å; Q230-Y234 WeakPolarHBondContact O-CB 3.2Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.42Å; Q230-Y234 WeakPolarHBondContact O-CE2 3.49Å; Q230-Y234 PolarHBondContact O-N 2.64Å; Q230-Y234 PolarHBondContact OE1-OH 3.38Å
231	K	42.6	Very low	48.1	Very low	153 Å²	153	108.9 Å²	108.9	67%	0.665	51%	0.508	S	S	*	.	H	α-helix	trans	-53	-37.5	177.8	-149.9	176.5	-171.1	179	0	114.6	P227 A228 I229 K235	P227-K231 PolarHBondContact O-N 3.05Å; A228-K231 WeakPolarHBondContact O-CB 3.5Å; A228-K231 PolarHBondContact O-N 3.1Å; A228-K231 VanDerWaalsContact O-N 3.12Å; I229-K231 PolarHBondContact O-N 3.37Å; K231-K235 PolarHBondContact O-N 3.49Å
232	K	44.7	Very low	47.5	Very low	172 Å²	172	101 Å²	101	75%	0.748	48%	0.481	S	S	*	.	H	α-helix	trans	-72.1	-40.9	175	-166.8	173.5	-176.5	178.2	0	111.6	Q230 Y234 K235 L236	Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 2.79Å; K232-Y234 VanDerWaalsContact C-N 3.33Å; K232-K235 PolarHBondContact O-N 3.4Å; K232-L236 PolarHBondContact O-N 3.38Å
233	R	44.5	Very low	47.1	Very low	120 Å²	120	99.7 Å²	99.7	45%	0.453	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-36.6	174.6	-134.7	171	-180	-161.4	-9.9	111.3	K120 N121 Q230 I237	K120-R233 PolarHBondContact O-NH2 2.8Å; N121-R233 PolarHBondContact OD1-NH2 3.47Å; Q230-R233 CarbonylContact O-C 3.6Å; Q230-R233 WeakPolarHBondContact O-CA 3.29Å; Q230-R233 VanDerWaalsContact O-CB 3.31Å; Q230-R233 WeakPolarHBondContact O-CB 3.1Å; Q230-R233 PolarHBondContact O-N 3.22Å; R233-I237 VanDerWaalsContact O-CG1 3.27Å; R233-I237 WeakPolarHBondContact O-CG1 3.39Å; R233-I237 PolarHBondContact O-N 3Å
234	Y	49.5	Very low	46.9	Very low	39 Å²	39	105.4 Å²	105.4	15%	0.153	51%	0.513	C	S	.	.	H	α-helix	trans	-71	-34.2	173.8	-66.4	-45.7	0	0	0	113.3	L223 T226 Q230 K232 L236 I237 K238	L223-Y234 HydrophobicContact CD2-CD1 4.08Å; L223-Y234 HydrophobicContact CD2-CE1 4.43Å; T226-Y234 WeakPolarHBondContact CB-OH 3.42Å; T226-Y234 HydrophobicContact CG2-CE2 4.24Å; T226-Y234 WeakPolarHBondContact CG2-OH 3.41Å; T226-Y234 WeakPolarHBondContact OG1-CE2 3.27Å; T226-Y234 PolarHBondContact OG1-OH 2.71Å; Q230-Y234 HydrophobicContact CB-CD2 3.73Å; Q230-Y234 HydrophobicContact CB-CE1 4.32Å; Q230-Y234 HydrophobicContact CB-CE2 2.92Å; Q230-Y234 VanDerWaalsContact CB-OH 3.22Å; Q230-Y234 WeakPolarHBondContact CB-OH 3.42Å; Q230-Y234 HydrophobicContact CG-CE2 4.07Å; Q230-Y234 WeakPolarHBondContact CG-OH 3.43Å; Q230-Y234 PolarHBondContact NE2-OH 2.85Å; Q230-Y234 WeakPolarHBondContact O-CB 3.2Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.42Å; Q230-Y234 WeakPolarHBondContact O-CE2 3.49Å; Q230-Y234 PolarHBondContact O-N 2.64Å; Q230-Y234 PolarHBondContact OE1-OH 3.38Å; K232-Y234 VanDerWaalsContact C-N 3.33Å; Y234-L236 VanDerWaalsContact C-N 3.29Å; Y234-L236 PolarHBondContact O-N 3.36Å; Y234-I237 PolarHBondContact O-N 2.81Å; Y234-K238 WeakPolarHBondContact O-CA 2.95Å; Y234-K238 WeakPolarHBondContact O-CB 3.31Å; Y234-K238 PolarHBondContact O-N 3.39Å
235	K	43.2	Very low	46.2	Very low	159 Å²	159	110.1 Å²	110.1	69%	0.691	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-42.8	176.1	-152.9	176.3	-176.7	-176.5	0	110.5	K231 K232 Q239	K231-K235 PolarHBondContact O-N 3.49Å; K232-K235 PolarHBondContact O-N 3.4Å; K235-Q239 WeakPolarHBondContact O-CB 3.28Å; K235-Q239 PolarHBondContact O-N 3.06Å
236	L	40.8	Very low	45.2	Very low	66 Å²	66	108 Å²	108	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-53.4	172.5	-79.3	151.1	0	0	0	111.4	K232 Y234 K238 Q239 Y240	K232-L236 PolarHBondContact O-N 3.38Å; Y234-L236 VanDerWaalsContact C-N 3.29Å; Y234-L236 PolarHBondContact O-N 3.36Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 2.8Å; L236-Q239 PolarHBondContact O-N 2.85Å; L236-Q239 VanDerWaalsContact O-N 3.14Å; L236-Y240 HydrophobicContact CB-CD2 4.45Å; L236-Y240 HydrophobicContact CB-CE2 4.42Å; L236-Y240 HydrophobicContact CD2-CE2 3.72Å; L236-Y240 WeakPolarHBondContact O-CD2 3.05Å; L236-Y240 PolarHBondContact O-N 3.06Å
237	I	44.1	Very low	44.4	Very low	47 Å²	47	115.8 Å²	115.8	24%	0.241	56%	0.559	C	S	.	*	H	α-helix	trans	-58	-43.5	179.3	-69.7	167.1	0	0	0	111.5	L223 R233 Y234 Y240 L241	L223-I237 HydrophobicContact CD2-CG2 3.76Å; R233-I237 VanDerWaalsContact O-CG1 3.27Å; R233-I237 WeakPolarHBondContact O-CG1 3.39Å; R233-I237 PolarHBondContact O-N 3Å; Y234-I237 PolarHBondContact O-N 2.81Å; I237-Y240 PolarHBondContact O-N 3.01Å; I237-L241 HydrophobicContact CG2-CD1 3.38Å; I237-L241 HydrophobicContact CG2-CG 4.06Å; I237-L241 WeakPolarHBondContact O-CB 3.2Å; I237-L241 WeakPolarHBondContact O-CG 3.32Å; I237-L241 PolarHBondContact O-N 2.78Å
238	K	45.1	Very low	43.6	Very low	71 Å²	71	121.3 Å²	121.3	31%	0.309	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-39.4	176.7	-171.6	173	-176.9	168.6	0	111.8	E220 Y234 L236 C242	E220-K238 IonicContact OE1-NZ 3.91Å; Y234-K238 WeakPolarHBondContact O-CA 2.95Å; Y234-K238 WeakPolarHBondContact O-CB 3.31Å; Y234-K238 PolarHBondContact O-N 3.39Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 2.8Å; K238-C242 CarbonylContact O-C 3.56Å; K238-C242 WeakPolarHBondContact O-CA 3.37Å; K238-C242 PolarHBondContact O-N 2.93Å
239	Q	44.6	Very low	43.6	Very low	134 Å²	134	123.2 Å²	123.2	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-66.6	-37.6	176.3	-173.8	175.8	0.3	0	0	112.4	K235 L236	K235-Q239 WeakPolarHBondContact O-CB 3.28Å; K235-Q239 PolarHBondContact O-N 3.06Å; L236-Q239 PolarHBondContact O-N 2.85Å; L236-Q239 VanDerWaalsContact O-N 3.14Å
240	Y	41.4	Very low	43.8	Very low	163 Å²	163	121.1 Å²	121.1	64%	0.639	57%	0.572	S	S	*	*	H	α-helix	trans	-79.6	-34.2	177.5	-74.3	-68.4	0	0	0	113.5	L236 I237	L236-Y240 HydrophobicContact CB-CD2 4.45Å; L236-Y240 HydrophobicContact CB-CE2 4.42Å; L236-Y240 HydrophobicContact CD2-CE2 3.72Å; L236-Y240 WeakPolarHBondContact O-CD2 3.05Å; L236-Y240 PolarHBondContact O-N 3.06Å; I237-Y240 PolarHBondContact O-N 3.01Å
241	L	44.5	Very low	43.7	Very low	40 Å²	40	123.7 Å²	123.7	21%	0.209	58%	0.584	C	S	.	*	H	α-helix	trans	-86.7	-40.9	-177.9	-65.4	-178.6	0	0	0	113	Q213 C215 L223 I237	Q213-L241 HydrophobicContact CB-CD2 4.25Å; Q213-L241 HydrophobicContact CG-CD2 4.16Å; C215-L241 PolarHBondContact SG-O 2.73Å; L223-L241 HydrophobicContact CD1-CD1 4.26Å; I237-L241 HydrophobicContact CG2-CD1 3.38Å; I237-L241 HydrophobicContact CG2-CG 4.06Å; I237-L241 WeakPolarHBondContact O-CB 3.2Å; I237-L241 WeakPolarHBondContact O-CG 3.32Å; I237-L241 PolarHBondContact O-N 2.78Å
242	C	47.5	Very low	43.7	Very low	20 Å²	20	122 Å²	122	14%	0.135	58%	0.58	C	S	.	*			trans	-128.2	70.7	-173.7	-46.3	0	0	0	0	110.6	C215 K238 N244	C215-C242 HydrophobicContact CB-CB 3.83Å; C215-C242 WeakPolarHBondContact CB-SG 3.49Å; C215-C242 WeakPolarHBondContact SG-CA 3.37Å; C215-C242 WeakPolarHBondContact SG-CB 3.41Å; C215-C242 PolarHBondContact SG-N 2.99Å; C215-C242 CovalentContact SG-SG 1.99Å; C215-C242 PolarHBondContact SG-SG 3.34Å; K238-C242 CarbonylContact O-C 3.56Å; K238-C242 WeakPolarHBondContact O-CA 3.37Å; K238-C242 PolarHBondContact O-N 2.93Å; C242-N244 PolarHBondContact O-N 2.91Å; C242-N244 VanDerWaalsContact O-N 3.11Å
243	P	49.3	Very low	43.7	Very low	97 Å²	97	118.9 Å²	118.9	63%	0.63	57%	0.569	S	S	*	*			trans	-55.7	126.4	171.1	24.1	-31.4	0	0	0	107.9	K245	P243-K245 PolarHBondContact O-N 3.12Å
244	N	47.3	Very low	43.6	Very low	153 Å²	153	118.8 Å²	118.8	82%	0.818	58%	0.577	S	S	*	*			trans	-46.2	114.5	179.6	-79.1	-28.5	0	0	0	108.2	C242 Q246	C242-N244 PolarHBondContact O-N 2.91Å; C242-N244 VanDerWaalsContact O-N 3.11Å; N244-Q246 VanDerWaalsContact C-N 3.3Å; N244-Q246 PolarHBondContact O-N 3.14Å
245	K	46.1	Very low	43.2	Very low	200 Å²	200	124.5 Å²	124.5	87%	0.87	61%	0.607	S	S	*	*			trans	-62.2	104.9	162.3	-76.5	-168.8	175.2	-171.3	0	105	P243 K247	P243-K245 PolarHBondContact O-N 3.12Å; K245-K247 PolarHBondContact O-N 3.15Å; K245-K247 VanDerWaalsContact O-N 3.15Å
246	Q	40.1	Very low	43.2	Very low	176 Å²	176	121.8 Å²	121.8	82%	0.822	60%	0.601	S	S	*	*			trans	-50.6	122.9	159.8	-78.2	177.8	-30.9	0	0	105.9	N244 V248	N244-Q246 VanDerWaalsContact C-N 3.3Å; N244-Q246 PolarHBondContact O-N 3.14Å; Q246-V248 PolarHBondContact O-N 3.35Å
247	K	35.4	Very low	43.4	Very low	212 Å²	212	126.5 Å²	126.5	92%	0.922	62%	0.622	S	S	*	*			trans	-57.6	110.6	170.2	-69	179.1	175.9	-177.5	0	106.2	K245	K245-K247 PolarHBondContact O-N 3.15Å; K245-K247 VanDerWaalsContact O-N 3.15Å
248	V	35.6	Very low	43.4	Very low	205 Å²	205	133.7 Å²	133.7	100%	1.242	66%	0.657	S	S	*	*			trans	-110	0	153.6	-176.9	0	0	0	0	104.8	Q246	Q246-V248 PolarHBondContact O-N 3.35Å

Retrieved 248 of 248 residues in 51.1 ms (Link to these results)

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