A0A077Z1T0_TRITR Loading...

PDZ domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	70.9	Confident	246 Å²	246	111.1 Å²	111.1	100%	1.212	60%	0.603	S	S	*	*				0	103.2	0	-149.2	173.5	-178.3	0	0	106.7	K3	M1-K3 PolarHBondContact O-N 3.48Å
2	I	42	Very low	72.8	Confident	162 Å²	162	108.8 Å²	108.8	83%	0.831	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68	117.6	176	-57.1	174.3	0	0	0	105
3	K	45	Very low	74.5	Confident	163 Å²	163	101 Å²	101	71%	0.709	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-51.4	130.6	172.5	-105.1	179.7	175.6	179.6	0	106.9	M1 I5	M1-K3 PolarHBondContact O-N 3.48Å; K3-I5 PolarHBondContact O-N 3.11Å
4	P	50.3	Low	75.7	Confident	120 Å²	120	99.6 Å²	99.6	78%	0.779	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-52.2	124	171	21.3	-29.1	0	0	0	106.9	G6	P4-G6 PolarHBondContact O-N 3.4Å
5	I	65.7	Low	76.7	Confident	165 Å²	165	97.6 Å²	97.6	85%	0.846	54%	0.539	S	S	*	.			trans	-59.1	109.7	173.5	-65.9	165	0	0	0	103.6	K3	K3-I5 PolarHBondContact O-N 3.11Å
6	G	76.7	Confident	77.6	Confident	32 Å²	32	95.5 Å²	95.5	33%	0.33	52%	0.524	S	S	.	.			trans	-58.9	156.8	-173.7	0	0	0	0	0	111.3	P4 P8 D11	P4-G6 PolarHBondContact O-N 3.4Å; G6-P8 VanDerWaalsContact O-CD 3.23Å; G6-P8 WeakPolarHBondContact O-CD 3.41Å; G6-D11 WeakPolarHBondContact CA-OD2 3.44Å
7	D	91.5	Very high	78.3	Confident	81 Å²	81	98.6 Å²	98.6	43%	0.433	53%	0.527	S	S	.	.			trans	-85.5	109.9	-174.3	-178.3	-3.6	0	0	0	110	A9 I10 D11	D7-A9 PolarHBondContact O-N 2.91Å; D7-A9 WeakPolarHBondContact OD1-CB 3.29Å; D7-A9 PolarHBondContact OD1-N 3.25Å; D7-I10 HydrophobicContact CB-CD1 4.32Å; D7-I10 HydrophobicContact CB-CG1 3.81Å; D7-I10 PolarHBondContact O-N 2.85Å; D7-D11 VanDerWaalsContact N-CG 3.28Å; D7-D11 PolarHBondContact N-OD1 3.11Å; D7-D11 PolarHBondContact N-OD2 3.07Å; D7-D11 VanDerWaalsContact O-CB 3.3Å; D7-D11 WeakPolarHBondContact O-CB 3.45Å; D7-D11 PolarHBondContact O-N 3.46Å
8	P	93.8	Very high	79.2	Confident	30 Å²	30	99 Å²	99	20%	0.195	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-178.4	-23.1	36.1	0	0	0	113.4	G6 I10 L20 I21 E22 R61	G6-P8 VanDerWaalsContact O-CD 3.23Å; G6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-I10 VanDerWaalsContact C-N 3.31Å; P8-I10 PolarHBondContact O-N 3.41Å; P8-L20 WeakPolarHBondContact CA-O 3.43Å; P8-L20 HydrophobicContact CB-CD2 4.46Å; P8-L20 HydrophobicContact CB-CG 4.19Å; P8-L20 HydrophobicContact CG-CD2 3.87Å; P8-L20 HydrophobicContact CG-CG 4.1Å; P8-I21 CarbonylContact O-C 3.59Å; P8-I21 VanDerWaalsContact O-CA 3.3Å; P8-I21 WeakPolarHBondContact O-CA 3.22Å; P8-E22 HydrophobicContact CB-CB 4.11Å; P8-E22 PolarHBondContact O-N 3.49Å; P8-R61 PolarHBondContact O-NH1 3.15Å; P8-R61 PolarHBondContact O-NH2 2.88Å
9	A	93.9	Very high	80	Confident	46 Å²	46	94.5 Å²	94.5	38%	0.38	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.6	179.8	0	0	0	0	0	113.3	D7	D7-A9 PolarHBondContact O-N 2.91Å; D7-A9 WeakPolarHBondContact OD1-CB 3.29Å; D7-A9 PolarHBondContact OD1-N 3.25Å
10	I	93.1	Very high	80.8	Confident	125 Å²	125	93.5 Å²	93.5	64%	0.641	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-17.2	-171.4	60.5	169.7	0	0	0	114.5	D7 P8	D7-I10 HydrophobicContact CB-CD1 4.32Å; D7-I10 HydrophobicContact CB-CG1 3.81Å; D7-I10 PolarHBondContact O-N 2.85Å; P8-I10 VanDerWaalsContact C-N 3.31Å; P8-I10 PolarHBondContact O-N 3.41Å
11	D	92	Very high	81.6	Confident	52 Å²	52	89 Å²	89	28%	0.278	47%	0.472	S	S	.	.			trans	-59.7	135.6	-177.3	-80.6	-1	0	0	0	111.5	G6 D7 R61	G6-D11 WeakPolarHBondContact CA-OD2 3.44Å; D7-D11 VanDerWaalsContact N-CG 3.28Å; D7-D11 PolarHBondContact N-OD1 3.11Å; D7-D11 PolarHBondContact N-OD2 3.07Å; D7-D11 VanDerWaalsContact O-CB 3.3Å; D7-D11 WeakPolarHBondContact O-CB 3.45Å; D7-D11 PolarHBondContact O-N 3.46Å; D11-R61 VanDerWaalsContact O-CD 3.25Å; D11-R61 WeakPolarHBondContact O-CD 3.43Å; D11-R61 PolarHBondContact O-NH1 2.94Å
12	P	94.2	Very high	84.5	Confident	83 Å²	83	79.6 Å²	79.6	54%	0.539	43%	0.425	S	S	.	.			trans	-75.5	149.4	176.4	32	-35	0	0	0	111	L14	P12-L14 HydrophobicContact CG-CD2 4.39Å; P12-L14 PolarHBondContact O-N 3.23Å
13	I	94.1	Very high	87.1	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.041	39%	0.386	C	S	.	.			trans	-75.2	112.9	173.2	-56.9	176.5	0	0	0	109.5	T19 I21 R61 L62 V99 R101	I13-T19 HydrophobicContact CG1-CG2 4.5Å; I13-I21 HydrophobicContact CD1-CD1 3.95Å; I13-I21 HydrophobicContact CD1-CG2 4.4Å; I13-I21 HydrophobicContact CG1-CG2 3.89Å; I13-R61 HydrophobicContact CD1-CB 4.06Å; I13-R61 WeakPolarHBondContact CD1-O 3.41Å; I13-R61 HydrophobicContact CG1-CB 4.19Å; I13-L62 HydrophobicContact CD1-CD2 3.79Å; I13-L62 HydrophobicContact CD1-CG 4.25Å; I13-V99 HydrophobicContact CD1-CB 4.34Å; I13-V99 HydrophobicContact CD1-CG1 4.08Å; I13-V99 HydrophobicContact CD1-CG2 4.45Å; I13-V99 HydrophobicContact CG2-CG1 4.26Å; I13-R101 HydrophobicContact CG2-CB 3.94Å; I13-R101 PolarHBondContact O-NH1 3.27Å; I13-R101 VanDerWaalsContact O-NH1 3.17Å
14	L	91.4	Very high	89.5	Confident	82 Å²	82	67.2 Å²	67.2	43%	0.429	37%	0.368	S	S	.	.			trans	-90.8	137.2	179.7	-62.1	179.4	0	0	0	111	P12 T19	P12-L14 HydrophobicContact CG-CD2 4.39Å; P12-L14 PolarHBondContact O-N 3.23Å; L14-T19 PolarHBondContact N-OG1 3.4Å
15	P	90.9	Very high	91.5	Very high	69 Å²	69	62.7 Å²	62.7	45%	0.448	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-59.7	150.1	173.5	-22.4	32.8	0	0	0	113.3	R17 R101	P15-R17 PolarHBondContact O-N 2.95Å; P15-R17 VanDerWaalsContact O-N 3.15Å; P15-R101 CarbonylContact C-O 3.55Å; P15-R101 WeakPolarHBondContact CA-O 3.15Å
16	E	91	Very high	92.6	Very high	64 Å²	64	62.1 Å²	62.1	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.2	177.7	-47.7	-55.7	138.7	0	0	114.8	Y100 R101 D102 S103 R104	E16-Y100 VanDerWaalsContact C-CE2 3.49Å; E16-Y100 WeakPolarHBondContact CA-OH 3.45Å; E16-Y100 PolarHBondContact OE2-OH 2.98Å; E16-R101 PolarHBondContact N-O 2.71Å; E16-D102 WeakPolarHBondContact OE1-CA 3.3Å; E16-S103 WeakPolarHBondContact OE1-CB 3.46Å; E16-S103 PolarHBondContact OE1-N 3.44Å; E16-S103 PolarHBondContact OE1-OG 2.8Å; E16-R104 IonicContact OE2-NH2 3.94Å
17	R	90.1	Very high	93	Very high	149 Å²	149	64.4 Å²	64.4	56%	0.562	35%	0.351	S	S	*	.	S	Bend	trans	-142.5	143.5	179.3	-67.3	-173.5	176.7	166.5	3.2	111	P15 T19	P15-R17 PolarHBondContact O-N 2.95Å; P15-R17 VanDerWaalsContact O-N 3.15Å; R17-T19 PolarHBondContact O-N 3.35Å
18	E	94.2	Very high	92.6	Very high	105 Å²	105	65.5 Å²	65.5	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.6	169.1	-56.7	-170.6	164.8	0	0	109.1	L69 R77 L98 V99 Y100	E18-L69 HydrophobicContact CB-CD1 4.44Å; E18-L69 HydrophobicContact CG-CD1 3.67Å; E18-L69 WeakPolarHBondContact OE1-CD1 3.33Å; E18-R77 VanDerWaalsContact CD-NH2 3.31Å; E18-R77 IonicContact OE1-CZ 3.32Å; E18-R77 IonicContact OE1-NH2 3.57Å; E18-R77 PolarHBondContact OE1-NH2 2.79Å; E18-R77 IonicContact OE2-NH2 2.75Å; E18-R77 PolarHBondContact OE2-NH2 3.29Å; E18-L98 HydrophobicContact CB-CD1 4.07Å; E18-L98 HydrophobicContact CB-CG 4.31Å; E18-V99 CarbonylContact C-O 3.55Å; E18-V99 WeakPolarHBondContact CA-O 3.48Å; E18-Y100 HydrophobicContact CG-CD2 4.27Å
19	T	94.8	Very high	92.3	Very high	14 Å²	14	66.5 Å²	66.5	9%	0.086	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	178.6	-51.3	0	0	0	0	108.9	I13 L14 R17 I21 V99	I13-T19 HydrophobicContact CG1-CG2 4.5Å; L14-T19 PolarHBondContact N-OG1 3.4Å; R17-T19 PolarHBondContact O-N 3.35Å; T19-I21 HydrophobicContact CG2-CG2 4.02Å; T19-V99 PolarHBondContact N-O 2.93Å; T19-V99 PolarHBondContact O-N 3.38Å
20	L	95.8	Very high	92.2	Very high	74 Å²	74	65.3 Å²	65.3	39%	0.387	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.4	172.1	-176.5	67.6	0	0	0	108.8	P8 R96 L97 L98	P8-L20 WeakPolarHBondContact CA-O 3.43Å; P8-L20 HydrophobicContact CB-CD2 4.46Å; P8-L20 HydrophobicContact CB-CG 4.19Å; P8-L20 HydrophobicContact CG-CD2 3.87Å; P8-L20 HydrophobicContact CG-CG 4.1Å; L20-R96 HydrophobicContact CD1-CB 4.36Å; L20-L97 WeakPolarHBondContact CA-O 3.5Å; L20-L98 HydrophobicContact CB-CD1 4.13Å; L20-L98 HydrophobicContact CD1-CD1 4.47Å
21	I	97.1	Very high	92.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.5	175.5	65.5	172.8	0	0	0	110.6	P8 I13 T19 I23 L62 R96 L97 V99	P8-I21 CarbonylContact O-C 3.59Å; P8-I21 VanDerWaalsContact O-CA 3.3Å; P8-I21 WeakPolarHBondContact O-CA 3.22Å; I13-I21 HydrophobicContact CD1-CD1 3.95Å; I13-I21 HydrophobicContact CD1-CG2 4.4Å; I13-I21 HydrophobicContact CG1-CG2 3.89Å; T19-I21 HydrophobicContact CG2-CG2 4.02Å; I21-I23 HydrophobicContact CD1-CD1 3.99Å; I21-I23 HydrophobicContact CD1-CG1 4.21Å; I21-L62 HydrophobicContact CD1-CD1 4.31Å; I21-L62 HydrophobicContact CD1-CD2 4.07Å; I21-L62 HydrophobicContact CD1-CG 3.93Å; I21-R96 CarbonylContact O-C 3.57Å; I21-R96 VanDerWaalsContact O-CA 3.23Å; I21-R96 WeakPolarHBondContact O-CA 3.35Å; I21-L97 HydrophobicContact CD1-CB 4.42Å; I21-L97 HydrophobicContact CD1-CD1 4.48Å; I21-L97 HydrophobicContact CG1-CB 3.9Å; I21-L97 PolarHBondContact N-O 2.77Å; I21-L97 PolarHBondContact O-N 3.49Å; I21-V99 HydrophobicContact CD1-CG2 3.9Å; I21-V99 HydrophobicContact CG1-CG2 4.03Å
22	E	97.6	Very high	92	Very high	47 Å²	47	59 Å²	59	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.6	169.4	-176.5	174.1	109	0	0	109.6	P8 R61 K94 V95 R96	P8-E22 HydrophobicContact CB-CB 4.11Å; P8-E22 PolarHBondContact O-N 3.49Å; E22-R61 PolarHBondContact O-NH2 3.49Å; E22-K94 HydrophobicContact CG-CB 4.48Å; E22-K94 WeakPolarHBondContact OE1-CD 3.4Å; E22-K94 WeakPolarHBondContact OE1-CE 3.36Å; E22-K94 IonicContact OE1-NZ 2.85Å; E22-K94 PolarHBondContact OE1-NZ 2.96Å; E22-V95 CarbonylContact C-O 3.57Å; E22-V95 WeakPolarHBondContact CA-O 3.4Å; E22-R96 HydrophobicContact CB-CG 4.09Å; E22-R96 HydrophobicContact CG-CG 4.1Å
23	I	97	Very high	91.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.3	176.1	-59.5	178.7	0	0	0	108.7	I21 A55 A56 D59 L62 V95 L97	I21-I23 HydrophobicContact CD1-CD1 3.99Å; I21-I23 HydrophobicContact CD1-CG1 4.21Å; I23-A55 HydrophobicContact CG2-CB 3.95Å; I23-A56 HydrophobicContact CD1-CB 4.38Å; I23-D59 HydrophobicContact CD1-CB 4.5Å; I23-D59 HydrophobicContact CG1-CB 4.24Å; I23-D59 HydrophobicContact CG2-CB 4.22Å; I23-L62 HydrophobicContact CD1-CD1 3.6Å; I23-L62 HydrophobicContact CD1-CG 4.37Å; I23-V95 PolarHBondContact N-O 2.97Å; I23-V95 PolarHBondContact O-N 3.42Å; I23-L97 HydrophobicContact CD1-CD1 3.99Å
24	D	95.5	Very high	91.5	Very high	65 Å²	65	55.9 Å²	55.9	35%	0.348	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.1	169.2	-172.3	-1	0	0	0	110.7	K26 S93	D24-K26 HydrophobicContact CB-CG 4.25Å; D24-K26 PolarHBondContact O-N 2.74Å; D24-K26 PolarHBondContact OD1-N 3.21Å; D24-S93 PolarHBondContact OD1-OG 3.32Å
25	K	92.1	Very high	91.3	Very high	24 Å²	24	52 Å²	52	10%	0.104	29%	0.286	C	S	.	.			trans	-62	-27.9	176.5	-73.4	-177.4	-174	173.7	0	113.7	G27 K28 L30 A55 T91 S92 S93 V95	K25-G27 PolarHBondContact O-N 3.2Å; K25-G27 VanDerWaalsContact O-N 3.13Å; K25-K28 WeakPolarHBondContact CB-O 3.22Å; K25-K28 VanDerWaalsContact O-CB 3.31Å; K25-K28 WeakPolarHBondContact O-CB 3.22Å; K25-K28 PolarHBondContact O-N 3.28Å; K25-L30 HydrophobicContact CD-CD1 4.28Å; K25-L30 HydrophobicContact CG-CD1 4.18Å; K25-A55 HydrophobicContact CB-CB 4.47Å; K25-A55 HydrophobicContact CG-CB 4.41Å; K25-T91 WeakPolarHBondContact CE-OG1 3.26Å; K25-T91 PolarHBondContact NZ-O 3.14Å; K25-T91 PolarHBondContact NZ-OG1 2.95Å; K25-S92 VanDerWaalsContact CD-O 3.31Å; K25-S92 WeakPolarHBondContact CD-O 3.42Å; K25-S92 VanDerWaalsContact CE-O 3.24Å; K25-S92 WeakPolarHBondContact CE-O 3.45Å; K25-S92 PolarHBondContact NZ-O 3.17Å; K25-S93 VanDerWaalsContact CB-O 3.32Å; K25-S93 WeakPolarHBondContact CB-O 3.33Å; K25-S93 WeakPolarHBondContact CG-O 3.42Å; K25-S93 PolarHBondContact N-O 3.12Å; K25-V95 HydrophobicContact CD-CG2 4.34Å; K25-V95 VanDerWaalsContact CE-CG2 3.49Å; K25-V95 HydrophobicContact CG-CG2 4.32Å
26	K	88.7	Confident	91.1	Very high	153 Å²	153	48.8 Å²	48.8	67%	0.665	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	41.9	-175.8	-59.3	179.5	-176.7	176.4	0	112.8	D24 K28	D24-K26 HydrophobicContact CB-CG 4.25Å; D24-K26 PolarHBondContact O-N 2.74Å; D24-K26 PolarHBondContact OD1-N 3.21Å; K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.93Å
27	G	84.8	Confident	90.8	Very high	80 Å²	80	45.7 Å²	45.7	83%	0.825	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	3.4	-178.5	0	0	0	0	0	116.2	K25	K25-G27 PolarHBondContact O-N 3.2Å; K25-G27 VanDerWaalsContact O-N 3.13Å
28	K	83.3	Confident	90.7	Very high	105 Å²	105	41.1 Å²	41.1	46%	0.457	24%	0.241	S	C	.	.	S	Bend	trans	-95	176.4	172.8	-58.2	-176.5	173.3	-173.5	0	111.8	K25 K26 D53	K25-K28 WeakPolarHBondContact CB-O 3.22Å; K25-K28 VanDerWaalsContact O-CB 3.31Å; K25-K28 WeakPolarHBondContact O-CB 3.22Å; K25-K28 PolarHBondContact O-N 3.28Å; K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.93Å; K28-D53 WeakPolarHBondContact CD-O 3.24Å; K28-D53 PolarHBondContact NZ-O 3.47Å
29	G	86.5	Confident	90.1	Very high	50 Å²	50	38.4 Å²	38.4	52%	0.515	23%	0.23	S	C	.	.			trans	-75.8	166.7	162.3	0	0	0	0	0	111.6	G31 A55	G29-G31 PolarHBondContact O-N 3.35Å; G29-A55 WeakPolarHBondContact O-CB 3.49Å; G29-A55 PolarHBondContact O-N 3Å
30	L	91.7	Very high	89.3	Confident	21 Å²	21	38.1 Å²	38.1	11%	0.11	23%	0.228	C	C	.	.			trans	-58	-38.4	173.4	-116.7	89.4	0	0	0	111.8	K25 L32 A55 A56 V95 L97	K25-L30 HydrophobicContact CD-CD1 4.28Å; K25-L30 HydrophobicContact CG-CD1 4.18Å; L30-L32 HydrophobicContact CB-CG 4.45Å; L30-L32 HydrophobicContact CD2-CD1 3.54Å; L30-L32 HydrophobicContact CD2-CG 4.13Å; L30-A55 PolarHBondContact O-N 3.19Å; L30-A55 VanDerWaalsContact O-N 3.17Å; L30-A56 VanDerWaalsContact O-CB 3.28Å; L30-A56 WeakPolarHBondContact O-CB 3.36Å; L30-A56 PolarHBondContact O-N 2.85Å; L30-V95 HydrophobicContact CD1-CB 4.09Å; L30-V95 HydrophobicContact CD1-CG1 4.17Å; L30-V95 HydrophobicContact CD1-CG2 3.6Å; L30-L97 HydrophobicContact CD2-CD1 4.13Å
31	G	90.9	Very high	88.1	Confident	18 Å²	18	40.6 Å²	40.6	19%	0.186	24%	0.241	C	C	.	.			trans	73.5	47.5	-177.2	0	0	0	0	0	113	G29 Y51	G29-G31 PolarHBondContact O-N 3.35Å; G31-Y51 PolarHBondContact O-N 2.8Å
32	L	91.2	Very high	87.2	Confident	28 Å²	28	42.8 Å²	42.8	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.4	173	-62.5	179.9	0	0	0	110.5	L30 L34 V47 V50 A56 L62 L68	L30-L32 HydrophobicContact CB-CG 4.45Å; L30-L32 HydrophobicContact CD2-CD1 3.54Å; L30-L32 HydrophobicContact CD2-CG 4.13Å; L32-L34 HydrophobicContact CB-CD2 4.06Å; L32-L34 HydrophobicContact CB-CG 4.24Å; L32-L34 HydrophobicContact CD1-CD2 4.27Å; L32-V47 HydrophobicContact CD1-CG2 4.35Å; L32-V47 HydrophobicContact CD2-CG1 4.03Å; L32-V47 HydrophobicContact CD2-CG2 4.47Å; L32-V50 HydrophobicContact CD2-CB 4.4Å; L32-V50 HydrophobicContact CD2-CG1 4.24Å; L32-V50 HydrophobicContact CD2-CG2 3.89Å; L32-A56 HydrophobicContact CD2-CB 3.53Å; L32-A56 HydrophobicContact CG-CB 4.04Å; L32-L62 HydrophobicContact CD1-CD1 3.99Å; L32-L62 HydrophobicContact CD2-CD1 4.12Å; L32-L68 HydrophobicContact CD1-CD1 4.24Å
33	S	87.5	Confident	86.4	Confident	8 Å²	8	42.5 Å²	42.5	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.8	158.1	-159.4	0	0	0	0	107.7	H48 E49 Y51	S33-H48 PolarHBondContact O-N 3.39Å; S33-E49 PolarHBondContact N-O 3.45Å; S33-E49 PolarHBondContact O-N 2.98Å; S33-Y51 VanDerWaalsContact CB-OH 3.27Å; S33-Y51 WeakPolarHBondContact CB-OH 3.33Å; S33-Y51 PolarHBondContact OG-OH 3.49Å
34	L	89.8	Confident	85.9	Confident	17 Å²	17	42.6 Å²	42.6	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.2	-177.9	-58.3	172	0	0	0	108.8	L32 I45 I46 V47 L68 H81 I85 L88	L32-L34 HydrophobicContact CB-CD2 4.06Å; L32-L34 HydrophobicContact CB-CG 4.24Å; L32-L34 HydrophobicContact CD1-CD2 4.27Å; L34-I45 HydrophobicContact CB-CG2 4.34Å; L34-I45 HydrophobicContact CD1-CG2 4.22Å; L34-I45 HydrophobicContact CD2-CG2 4.33Å; L34-I46 WeakPolarHBondContact CA-O 3.41Å; L34-V47 HydrophobicContact CD2-CG2 3.99Å; L34-L68 HydrophobicContact CD1-CD1 4.28Å; L34-L68 HydrophobicContact CD2-CD1 3.77Å; L34-L68 HydrophobicContact CD2-CG 4.49Å; L34-H81 PolarHBondContact O-CE1 3.44Å; L34-I85 HydrophobicContact CB-CD1 3.82Å; L34-I85 HydrophobicContact CD1-CD1 3.84Å; L34-I85 HydrophobicContact CG-CD1 4.37Å; L34-L88 HydrophobicContact CD1-CD1 3.29Å
35	V	86.8	Confident	85.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	168.3	175.8	-62.9	0	0	0	0	108.1	L42 I46 H48 L110 I115	V35-L42 HydrophobicContact CB-CD1 4.23Å; V35-L42 HydrophobicContact CG2-CD1 3.74Å; V35-I46 HydrophobicContact CG2-CB 4.14Å; V35-I46 PolarHBondContact N-O 3.06Å; V35-I46 PolarHBondContact O-N 2.91Å; V35-H48 HydrophobicContact CB-CB 4.36Å; V35-H48 HydrophobicContact CG1-CB 3.6Å; V35-H48 HydrophobicContact CG2-CB 3.91Å; V35-L110 HydrophobicContact CG2-CD2 4.16Å; V35-I115 HydrophobicContact CB-CG2 3.84Å; V35-I115 HydrophobicContact CG1-CD1 4.19Å; V35-I115 HydrophobicContact CG1-CG2 3.56Å; V35-I115 HydrophobicContact CG2-CD1 4.33Å; V35-I115 HydrophobicContact CG2-CG2 4.46Å
36	G	86.7	Confident	85.7	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.5	-157.5	178	0	0	0	0	0	113	T40 G44 H81	G36-T40 VanDerWaalsContact C-OG1 3.24Å; G36-T40 WeakPolarHBondContact CA-OG1 3.42Å; G36-T40 VanDerWaalsContact O-CG2 3.3Å; G36-T40 WeakPolarHBondContact O-CG2 3.21Å; G36-G44 CarbonylContact C-O 3.53Å; G36-G44 VanDerWaalsContact CA-O 3.27Å; G36-G44 WeakPolarHBondContact CA-O 3.47Å; G36-H81 WeakPolarHBondContact O-CB 3.42Å; G36-H81 VanDerWaalsContact O-CG 3.32Å; G36-H81 PolarHBondContact O-ND1 3.03Å
37	G	85.7	Confident	85.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.212	C	C	.	.			trans	124	161	-165.8	0	0	0	0	0	110.6	D39 T40 G43 G44 V79	G37-D39 PolarHBondContact O-N 2.87Å; G37-T40 PolarHBondContact N-OG1 2.96Å; G37-T40 PolarHBondContact O-N 3.43Å; G37-T40 PolarHBondContact O-OG1 3.02Å; G37-G43 PolarHBondContact O-N 2.88Å; G37-G44 PolarHBondContact N-O 3.18Å; G37-V79 WeakPolarHBondContact CA-O 3.29Å
38	S	86.4	Confident	86	Confident	52 Å²	52	29.3 Å²	29.3	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	179.6	63.5	0	0	0	0	113.7	D78 V79	S38-D78 VanDerWaalsContact CB-O 3.28Å; S38-D78 WeakPolarHBondContact CB-O 3.4Å; S38-D78 VanDerWaalsContact OG-C 3.31Å; S38-D78 PolarHBondContact OG-O 3.1Å; S38-V79 PolarHBondContact N-O 3.29Å; S38-V79 PolarHBondContact OG-O 2.81Å
39	D	82	Confident	86	Confident	49 Å²	49	28.3 Å²	28.3	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.7	174.2	64.1	-39.3	0	0	0	113.4	G37 P80 H81 T203 S204	G37-D39 PolarHBondContact O-N 2.87Å; D39-P80 HydrophobicContact CB-CB 4.21Å; D39-P80 VanDerWaalsContact OD1-CA 3.3Å; D39-P80 WeakPolarHBondContact OD1-CA 3.46Å; D39-H81 PolarHBondContact OD1-N 3.12Å; D39-T203 CarbonylContact O-C 3.58Å; D39-S204 PolarHBondContact O-N 2.84Å; D39-S204 PolarHBondContact O-OG 3.23Å
40	T	77.6	Confident	86.1	Confident	8 Å²	8	27.6 Å²	27.6	5%	0.049	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-117.5	165.5	178.8	75.6	0	0	0	0	111.9	G36 G37 L42 G43 T203 S204	G36-T40 VanDerWaalsContact C-OG1 3.24Å; G36-T40 WeakPolarHBondContact CA-OG1 3.42Å; G36-T40 VanDerWaalsContact O-CG2 3.3Å; G36-T40 WeakPolarHBondContact O-CG2 3.21Å; G37-T40 PolarHBondContact N-OG1 2.96Å; G37-T40 PolarHBondContact O-N 3.43Å; G37-T40 PolarHBondContact O-OG1 3.02Å; T40-L42 PolarHBondContact O-N 3.15Å; T40-L42 VanDerWaalsContact O-N 3.11Å; T40-L42 PolarHBondContact OG1-N 2.92Å; T40-G43 PolarHBondContact O-N 2.84Å; T40-G43 VanDerWaalsContact O-N 3.16Å; T40-T203 HydrophobicContact CG2-CG2 4.43Å; T40-S204 PolarHBondContact N-OG 2.64Å
41	I	72.3	Confident	85.8	Confident	126 Å²	126	27.5 Å²	27.5	65%	0.646	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.8	173.5	62.5	169.4	0	0	0	113.8
42	L	78	Confident	85.4	Confident	45 Å²	45	31.2 Å²	31.2	24%	0.236	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.2	-179.8	-62.9	174.4	0	0	0	112	V35 T40 G44 I46	V35-L42 HydrophobicContact CB-CD1 4.23Å; V35-L42 HydrophobicContact CG2-CD1 3.74Å; T40-L42 PolarHBondContact O-N 3.15Å; T40-L42 VanDerWaalsContact O-N 3.11Å; T40-L42 PolarHBondContact OG1-N 2.92Å; L42-G44 PolarHBondContact O-N 2.82Å; L42-I46 HydrophobicContact CB-CD1 4.05Å; L42-I46 HydrophobicContact CD1-CD1 4.21Å; L42-I46 HydrophobicContact CD2-CD1 4.25Å; L42-I46 HydrophobicContact CG-CD1 4.39Å
43	G	79.4	Confident	85	Confident	42 Å²	42	34 Å²	34	43%	0.433	20%	0.197	S	C	.	.			trans	65	4.6	176.5	0	0	0	0	0	115.6	G37 T40	G37-G43 PolarHBondContact O-N 2.88Å; T40-G43 PolarHBondContact O-N 2.84Å; T40-G43 VanDerWaalsContact O-N 3.16Å
44	G	87.7	Confident	85	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	-163.8	166.9	-178.2	0	0	0	0	0	112.2	G36 G37 L42	G36-G44 CarbonylContact C-O 3.53Å; G36-G44 VanDerWaalsContact CA-O 3.27Å; G36-G44 WeakPolarHBondContact CA-O 3.47Å; G37-G44 PolarHBondContact N-O 3.18Å; L42-G44 PolarHBondContact O-N 2.82Å
45	I	92.1	Very high	85.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.6	-178.4	-55.1	-60.3	0	0	0	109.6	L34 Q67 L68 L76 A84	L34-I45 HydrophobicContact CB-CG2 4.34Å; L34-I45 HydrophobicContact CD1-CG2 4.22Å; L34-I45 HydrophobicContact CD2-CG2 4.33Å; I45-Q67 CarbonylContact O-C 3.58Å; I45-Q67 WeakPolarHBondContact O-CA 3.44Å; I45-Q67 WeakPolarHBondContact O-CG 3.44Å; I45-L68 HydrophobicContact CB-CB 4.47Å; I45-L68 HydrophobicContact CG2-CB 4.26Å; I45-L68 HydrophobicContact CG2-CD1 4.43Å; I45-L68 PolarHBondContact O-N 3.15Å; I45-L76 HydrophobicContact CG1-CB 4.25Å; I45-A84 HydrophobicContact CD1-CB 3.3Å; I45-A84 HydrophobicContact CG1-CB 3.56Å
46	I	90.9	Very high	85.6	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.1	-173.1	-56.3	-178.8	0	0	0	110	L34 V35 L42 H48 M105 L110	L34-I46 WeakPolarHBondContact CA-O 3.41Å; V35-I46 HydrophobicContact CG2-CB 4.14Å; V35-I46 PolarHBondContact N-O 3.06Å; V35-I46 PolarHBondContact O-N 2.91Å; L42-I46 HydrophobicContact CB-CD1 4.05Å; L42-I46 HydrophobicContact CD1-CD1 4.21Å; L42-I46 HydrophobicContact CD2-CD1 4.25Å; L42-I46 HydrophobicContact CG-CD1 4.39Å; I46-H48 PolarHBondContact O-N 3.42Å; I46-M105 HydrophobicContact CD1-CE 3.85Å; I46-L110 HydrophobicContact CG2-CD2 3.98Å
47	V	92.7	Very high	85.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	110.5	169.4	-179.1	0	0	0	0	108.8	L32 L34 V50 A64 G65 D66 L68	L32-V47 HydrophobicContact CD1-CG2 4.35Å; L32-V47 HydrophobicContact CD2-CG1 4.03Å; L32-V47 HydrophobicContact CD2-CG2 4.47Å; L34-V47 HydrophobicContact CD2-CG2 3.99Å; V47-V50 HydrophobicContact CG1-CG2 3.69Å; V47-A64 CarbonylContact O-C 3.52Å; V47-A64 WeakPolarHBondContact O-CA 3.12Å; V47-G65 PolarHBondContact O-N 2.73Å; V47-D66 HydrophobicContact CB-CB 4.45Å; V47-D66 HydrophobicContact CG2-CB 4.24Å; V47-D66 WeakPolarHBondContact CG2-O 3.28Å; V47-D66 PolarHBondContact N-O 3.31Å; V47-L68 HydrophobicContact CG2-CD2 4.12Å; V47-L68 HydrophobicContact CG2-CG 4.21Å
48	H	86	Confident	86.3	Confident	35 Å²	35	38.4 Å²	38.4	16%	0.162	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-41.2	173	175.2	49	0	0	0	111.4	S33 V35 I46 A64 L110 I115	S33-H48 PolarHBondContact O-N 3.39Å; V35-H48 HydrophobicContact CB-CB 4.36Å; V35-H48 HydrophobicContact CG1-CB 3.6Å; V35-H48 HydrophobicContact CG2-CB 3.91Å; I46-H48 PolarHBondContact O-N 3.42Å; H48-A64 VanDerWaalsContact O-CB 3.31Å; H48-A64 WeakPolarHBondContact O-CB 3.25Å; H48-L110 PolarHBondContact CE1-O 3.18Å; H48-L110 PolarHBondContact ND1-O 3.2Å; H48-I115 VanDerWaalsContact CE1-CD1 3.46Å; H48-I115 WeakPolarHBondContact CE1-CD1 3.12Å; H48-I115 WeakPolarHBondContact ND1-CD1 3.31Å
49	E	85	Confident	86.8	Confident	84 Å²	84	38 Å²	38	39%	0.393	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.5	-175.6	-170.7	177.8	-166.5	0	0	110	S33 Y51	S33-E49 PolarHBondContact N-O 3.45Å; S33-E49 PolarHBondContact O-N 2.98Å; E49-Y51 HydrophobicContact CG-CE1 4Å; E49-Y51 WeakPolarHBondContact OE2-CE1 3.03Å; E49-Y51 PolarHBondContact OE2-OH 3.32Å
50	V	87.9	Confident	87.4	Confident	34 Å²	34	41.9 Å²	41.9	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120	171.3	-175.3	0	0	0	0	107.7	L32 V47 A56 A57 L62	L32-V50 HydrophobicContact CD2-CB 4.4Å; L32-V50 HydrophobicContact CD2-CG1 4.24Å; L32-V50 HydrophobicContact CD2-CG2 3.89Å; V47-V50 HydrophobicContact CG1-CG2 3.69Å; V50-A56 HydrophobicContact CG1-CB 3.96Å; V50-A57 HydrophobicContact CG1-CB 3.96Å; V50-L62 HydrophobicContact CG2-CB 4.4Å
51	Y	85.2	Confident	88.3	Confident	20 Å²	20	43 Å²	43	8%	0.078	25%	0.246	C	C	.	.			trans	-79.9	128.7	-175.3	-69.3	-66.6	0	0	0	111.6	G31 S33 E49 D53 G54 A57 R138	G31-Y51 PolarHBondContact O-N 2.8Å; S33-Y51 VanDerWaalsContact CB-OH 3.27Å; S33-Y51 WeakPolarHBondContact CB-OH 3.33Å; S33-Y51 PolarHBondContact OG-OH 3.49Å; E49-Y51 HydrophobicContact CG-CE1 4Å; E49-Y51 WeakPolarHBondContact OE2-CE1 3.03Å; E49-Y51 PolarHBondContact OE2-OH 3.32Å; Y51-D53 PolarHBondContact O-N 3.08Å; Y51-D53 VanDerWaalsContact O-N 3.09Å; Y51-G54 PolarHBondContact O-N 3.47Å; Y51-A57 WeakPolarHBondContact O-CB 3.42Å; Y51-R138 PolarHBondContact OH-NH1 2.88Å
52	P	83.4	Confident	89.5	Confident	95 Å²	95	37.2 Å²	37.2	62%	0.617	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.5	-171.1	-26.9	33.5	0	0	0	115.7	A57	P52-A57 VanDerWaalsContact O-CB 3.31Å; P52-A57 WeakPolarHBondContact O-CB 3.48Å
53	D	82.5	Confident	90.2	Very high	86 Å²	86	39 Å²	39	46%	0.46	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	0.3	-178.6	-70.3	-36.7	0	0	0	113.7	K28 Y51	K28-D53 WeakPolarHBondContact CD-O 3.24Å; K28-D53 PolarHBondContact NZ-O 3.47Å; Y51-D53 PolarHBondContact O-N 3.08Å; Y51-D53 VanDerWaalsContact O-N 3.09Å
54	G	87.8	Confident	90.7	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	23%	0.23	C	C	.	.	S	Bend	trans	-73.3	162.7	179	0	0	0	0	0	114.6	Y51 A56 A57 T58	Y51-G54 PolarHBondContact O-N 3.47Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.37Å; G54-A57 PolarHBondContact O-N 3.21Å; G54-T58 PolarHBondContact O-N 2.85Å; G54-T58 PolarHBondContact O-OG1 2.77Å
55	A	93.2	Very high	90.7	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-37.7	174.1	0	0	0	0	0	112.4	I23 K25 G29 L30 T58 D59	I23-A55 HydrophobicContact CG2-CB 3.95Å; K25-A55 HydrophobicContact CB-CB 4.47Å; K25-A55 HydrophobicContact CG-CB 4.41Å; G29-A55 WeakPolarHBondContact O-CB 3.49Å; G29-A55 PolarHBondContact O-N 3Å; L30-A55 PolarHBondContact O-N 3.19Å; L30-A55 VanDerWaalsContact O-N 3.17Å; A55-T58 PolarHBondContact O-N 2.9Å; A55-D59 WeakPolarHBondContact O-CB 3.24Å; A55-D59 PolarHBondContact O-N 3.26Å
56	A	95.4	Very high	90.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-39.6	176.8	0	0	0	0	0	112.8	I23 L30 L32 V50 G54 D59 N60 L62	I23-A56 HydrophobicContact CD1-CB 4.38Å; L30-A56 VanDerWaalsContact O-CB 3.28Å; L30-A56 WeakPolarHBondContact O-CB 3.36Å; L30-A56 PolarHBondContact O-N 2.85Å; L32-A56 HydrophobicContact CD2-CB 3.53Å; L32-A56 HydrophobicContact CG-CB 4.04Å; V50-A56 HydrophobicContact CG1-CB 3.96Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.37Å; A56-D59 PolarHBondContact O-N 2.83Å; A56-N60 PolarHBondContact O-N 3.05Å; A56-L62 HydrophobicContact CB-CD1 4.01Å
57	A	93.5	Very high	91	Very high	24 Å²	24	43.1 Å²	43.1	20%	0.198	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-37.6	172.6	0	0	0	0	0	112.1	V50 Y51 P52 G54 D59 N60	V50-A57 HydrophobicContact CG1-CB 3.96Å; Y51-A57 WeakPolarHBondContact O-CB 3.42Å; P52-A57 VanDerWaalsContact O-CB 3.31Å; P52-A57 WeakPolarHBondContact O-CB 3.48Å; G54-A57 PolarHBondContact O-N 3.21Å; A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 2.96Å; A57-N60 WeakPolarHBondContact O-CA 3.46Å; A57-N60 WeakPolarHBondContact O-CB 3.49Å; A57-N60 PolarHBondContact O-N 3.41Å
58	T	94.2	Very high	91.1	Very high	85 Å²	85	43.2 Å²	43.2	52%	0.521	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-36.3	176.1	-53.6	0	0	0	0	111.5	G54 A55	G54-T58 PolarHBondContact O-N 2.85Å; G54-T58 PolarHBondContact O-OG1 2.77Å; A55-T58 PolarHBondContact O-N 2.9Å
59	D	95.9	Very high	91.6	Very high	43 Å²	43	42 Å²	42	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-72.1	-32.8	173.3	-179.8	-90.6	0	0	0	112.6	I23 A55 A56 A57 R61	I23-D59 HydrophobicContact CD1-CB 4.5Å; I23-D59 HydrophobicContact CG1-CB 4.24Å; I23-D59 HydrophobicContact CG2-CB 4.22Å; A55-D59 WeakPolarHBondContact O-CB 3.24Å; A55-D59 PolarHBondContact O-N 3.26Å; A56-D59 PolarHBondContact O-N 2.83Å; A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 2.96Å; D59-R61 PolarHBondContact O-N 3.3Å; D59-R61 VanDerWaalsContact OD1-CB 3.31Å; D59-R61 WeakPolarHBondContact OD1-CB 3.31Å; D59-R61 WeakPolarHBondContact OD1-CG 3.37Å; D59-R61 IonicContact OD1-CZ 3.27Å; D59-R61 PolarHBondContact OD1-N 3.23Å; D59-R61 IonicContact OD1-NE 3.35Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD1-NH2 3.9Å; D59-R61 PolarHBondContact OD1-NH2 3.05Å; D59-R61 IonicContact OD2-CZ 2.7Å; D59-R61 IonicContact OD2-NE 3.62Å; D59-R61 PolarHBondContact OD2-NE 2.99Å; D59-R61 IonicContact OD2-NH2 2.99Å; D59-R61 PolarHBondContact OD2-NH2 2.65Å
60	N	95.5	Very high	92.1	Very high	132 Å²	132	40.7 Å²	40.7	71%	0.706	24%	0.236	S	C	*	.			trans	64	15.4	170.4	-164.3	49.4	0	0	0	115.7	A56 A57	A56-N60 PolarHBondContact O-N 3.05Å; A57-N60 WeakPolarHBondContact O-CA 3.46Å; A57-N60 WeakPolarHBondContact O-CB 3.49Å; A57-N60 PolarHBondContact O-N 3.41Å
61	R	96.9	Very high	92.5	Very high	30 Å²	30	39.1 Å²	39.1	11%	0.113	23%	0.227	C	C	.	.			trans	-94.6	-33	175.8	-64.7	-179.5	-70.9	177	-8.3	114	P8 D11 I13 E22 D59 R101	P8-R61 PolarHBondContact O-NH1 3.15Å; P8-R61 PolarHBondContact O-NH2 2.88Å; D11-R61 VanDerWaalsContact O-CD 3.25Å; D11-R61 WeakPolarHBondContact O-CD 3.43Å; D11-R61 PolarHBondContact O-NH1 2.94Å; I13-R61 HydrophobicContact CD1-CB 4.06Å; I13-R61 WeakPolarHBondContact CD1-O 3.41Å; I13-R61 HydrophobicContact CG1-CB 4.19Å; E22-R61 PolarHBondContact O-NH2 3.49Å; D59-R61 PolarHBondContact O-N 3.3Å; D59-R61 VanDerWaalsContact OD1-CB 3.31Å; D59-R61 WeakPolarHBondContact OD1-CB 3.31Å; D59-R61 WeakPolarHBondContact OD1-CG 3.37Å; D59-R61 IonicContact OD1-CZ 3.27Å; D59-R61 PolarHBondContact OD1-N 3.23Å; D59-R61 IonicContact OD1-NE 3.35Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD1-NH2 3.9Å; D59-R61 PolarHBondContact OD1-NH2 3.05Å; D59-R61 IonicContact OD2-CZ 2.7Å; D59-R61 IonicContact OD2-NE 3.62Å; D59-R61 PolarHBondContact OD2-NE 2.99Å; D59-R61 IonicContact OD2-NH2 2.99Å; D59-R61 PolarHBondContact OD2-NH2 2.65Å; R61-R101 PolarHBondContact O-NH2 2.86Å
62	L	96.3	Very high	93	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	24%	0.237	C	C	.	.			trans	-78.4	141	-179.6	-76.8	172.1	0	0	0	111.8	I13 I21 I23 L32 V50 A56 D66 L68 L97 V99	I13-L62 HydrophobicContact CD1-CD2 3.79Å; I13-L62 HydrophobicContact CD1-CG 4.25Å; I21-L62 HydrophobicContact CD1-CD1 4.31Å; I21-L62 HydrophobicContact CD1-CD2 4.07Å; I21-L62 HydrophobicContact CD1-CG 3.93Å; I23-L62 HydrophobicContact CD1-CD1 3.6Å; I23-L62 HydrophobicContact CD1-CG 4.37Å; L32-L62 HydrophobicContact CD1-CD1 3.99Å; L32-L62 HydrophobicContact CD2-CD1 4.12Å; V50-L62 HydrophobicContact CG2-CB 4.4Å; A56-L62 HydrophobicContact CB-CD1 4.01Å; L62-D66 WeakPolarHBondContact CA-OD2 3.42Å; L62-D66 HydrophobicContact CD2-CB 4.21Å; L62-L68 HydrophobicContact CD2-CD2 4.33Å; L62-L97 HydrophobicContact CD1-CD1 3.96Å; L62-V99 HydrophobicContact CD2-CG1 3.94Å; L62-V99 HydrophobicContact CD2-CG2 3.88Å
63	N	92.5	Very high	93.4	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.444	24%	0.239	S	C	.	.			trans	-128.3	158.9	177.3	-72.1	-27.8	0	0	0	111.4	G65 D66 R101	N63-G65 PolarHBondContact O-N 3.27Å; N63-D66 PolarHBondContact N-OD2 2.77Å; N63-D66 WeakPolarHBondContact O-CB 3.49Å; N63-D66 PolarHBondContact O-N 3.46Å; N63-D66 VanDerWaalsContact O-N 3.15Å; N63-R101 PolarHBondContact ND2-NH2 3.44Å
64	A	89.4	Confident	94	Very high	61 Å²	61	41.1 Å²	41.1	50%	0.504	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	134	165.3	0	0	0	0	0	110.3	V47 H48 L110	V47-A64 CarbonylContact O-C 3.52Å; V47-A64 WeakPolarHBondContact O-CA 3.12Å; H48-A64 VanDerWaalsContact O-CB 3.31Å; H48-A64 WeakPolarHBondContact O-CB 3.25Å; A64-L110 HydrophobicContact CB-CD1 4.31Å
65	G	89.4	Confident	94.3	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-12.5	-173.9	0	0	0	0	0	114.7	V47 N63 Q67	V47-G65 PolarHBondContact O-N 2.73Å; N63-G65 PolarHBondContact O-N 3.27Å; G65-Q67 PolarHBondContact O-N 3.42Å
66	D	93.9	Very high	94.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.011	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-66.6	133.5	173.6	-72.6	-17	0	0	0	110.4	V47 L62 N63 V99 R101	V47-D66 HydrophobicContact CB-CB 4.45Å; V47-D66 HydrophobicContact CG2-CB 4.24Å; V47-D66 WeakPolarHBondContact CG2-O 3.28Å; V47-D66 PolarHBondContact N-O 3.31Å; L62-D66 WeakPolarHBondContact CA-OD2 3.42Å; L62-D66 HydrophobicContact CD2-CB 4.21Å; N63-D66 PolarHBondContact N-OD2 2.77Å; N63-D66 WeakPolarHBondContact O-CB 3.49Å; N63-D66 PolarHBondContact O-N 3.46Å; N63-D66 VanDerWaalsContact O-N 3.15Å; D66-V99 HydrophobicContact CB-CG1 3.77Å; D66-R101 WeakPolarHBondContact OD1-CG 3.48Å; D66-R101 IonicContact OD1-CZ 3.7Å; D66-R101 IonicContact OD1-NE 2.75Å; D66-R101 PolarHBondContact OD1-NE 3.48Å; D66-R101 IonicContact OD1-NH2 3.86Å; D66-R101 PolarHBondContact OD1-NH2 2.81Å; D66-R101 IonicContact OD2-CZ 2.74Å; D66-R101 IonicContact OD2-NE 3.45Å; D66-R101 IonicContact OD2-NH2 2.71Å; D66-R101 PolarHBondContact OD2-NH2 2.92Å
67	Q	93.8	Very high	94.1	Very high	65 Å²	65	47.7 Å²	47.7	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	175.6	-174.6	177.1	-8.9	0	0	110	I45 G65 L69 V99 Y100	I45-Q67 CarbonylContact O-C 3.58Å; I45-Q67 WeakPolarHBondContact O-CA 3.44Å; I45-Q67 WeakPolarHBondContact O-CG 3.44Å; G65-Q67 PolarHBondContact O-N 3.42Å; Q67-L69 HydrophobicContact CG-CD2 3.95Å; Q67-V99 WeakPolarHBondContact O-CA 3.26Å; Q67-Y100 PolarHBondContact N-O 3.39Å; Q67-Y100 PolarHBondContact O-N 3.17Å
68	L	96.3	Very high	94	Very high	1 Å²	1	53 Å²	53	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.6	173	-54.6	-172.9	0	0	0	109.1	L32 L34 I45 V47 L62 L76 L88 L97 V99	L32-L68 HydrophobicContact CD1-CD1 4.24Å; L34-L68 HydrophobicContact CD1-CD1 4.28Å; L34-L68 HydrophobicContact CD2-CD1 3.77Å; L34-L68 HydrophobicContact CD2-CG 4.49Å; I45-L68 HydrophobicContact CB-CB 4.47Å; I45-L68 HydrophobicContact CG2-CB 4.26Å; I45-L68 HydrophobicContact CG2-CD1 4.43Å; I45-L68 PolarHBondContact O-N 3.15Å; V47-L68 HydrophobicContact CG2-CD2 4.12Å; V47-L68 HydrophobicContact CG2-CG 4.21Å; L62-L68 HydrophobicContact CD2-CD2 4.33Å; L68-L76 HydrophobicContact CB-CD1 3.82Å; L68-L88 HydrophobicContact CD1-CD1 4.06Å; L68-L88 HydrophobicContact CD1-CD2 4.42Å; L68-L97 HydrophobicContact CD2-CD1 4.35Å; L68-V99 HydrophobicContact CD2-CG2 4.04Å
69	L	95.3	Very high	93.8	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-36.4	-177.3	-59.9	179.3	0	0	0	112.2	E18 Q67 L76 R77 L98	E18-L69 HydrophobicContact CB-CD1 4.44Å; E18-L69 HydrophobicContact CG-CD1 3.67Å; E18-L69 WeakPolarHBondContact OE1-CD1 3.33Å; Q67-L69 HydrophobicContact CG-CD2 3.95Å; L69-L76 PolarHBondContact O-N 2.91Å; L69-R77 HydrophobicContact CD2-CG 4.46Å; L69-L98 HydrophobicContact CB-CB 4.28Å; L69-L98 HydrophobicContact CB-CD2 4.17Å; L69-L98 HydrophobicContact CB-CG 4.27Å; L69-L98 HydrophobicContact CD1-CD2 4.39Å; L69-L98 HydrophobicContact CD1-CG 4.42Å; L69-L98 PolarHBondContact N-O 3.35Å
70	E	96.4	Very high	93.4	Very high	57 Å²	57	49.9 Å²	49.9	27%	0.266	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.2	179.6	-51.7	-175.2	172.6	0	0	111	H74 R77 L97 L98	E70-H74 CarbonylContact C-O 3.41Å; E70-H74 WeakPolarHBondContact CA-O 3.25Å; E70-R77 IonicContact OE1-NH1 3.47Å; E70-R77 PolarHBondContact OE1-NH1 2.92Å; E70-L97 WeakPolarHBondContact O-CA 3.34Å; E70-L98 HydrophobicContact CB-CB 3.71Å; E70-L98 HydrophobicContact CB-CD2 4.44Å; E70-L98 HydrophobicContact CG-CB 3.99Å; E70-L98 HydrophobicContact CG-CD2 3.79Å; E70-L98 PolarHBondContact N-O 3.42Å; E70-L98 PolarHBondContact O-N 2.78Å
71	V	96.9	Very high	92.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.5	171.6	58.1	0	0	0	0	110.8	G73 H74 L76 V87 L88 T91 V95 R96 L97	V71-G73 PolarHBondContact O-N 3.32Å; V71-G73 VanDerWaalsContact O-N 3.09Å; V71-H74 HydrophobicContact CG1-CB 4.48Å; V71-H74 PolarHBondContact N-O 2.98Å; V71-H74 WeakPolarHBondContact O-CB 3.39Å; V71-H74 PolarHBondContact O-N 2.88Å; V71-L76 HydrophobicContact CB-CD1 4.31Å; V71-L76 HydrophobicContact CG1-CD1 4Å; V71-L76 HydrophobicContact CG1-CD2 3.86Å; V71-L76 HydrophobicContact CG1-CG 4.03Å; V71-V87 HydrophobicContact CG1-CB 4.46Å; V71-V87 HydrophobicContact CG1-CG1 3.42Å; V71-V87 VanDerWaalsContact CG1-CG1 3.42Å; V71-L88 HydrophobicContact CB-CD2 3.98Å; V71-L88 HydrophobicContact CG1-CD2 4.21Å; V71-L88 HydrophobicContact CG1-CG 4.31Å; V71-L88 HydrophobicContact CG2-CD2 3.75Å; V71-T91 HydrophobicContact CG2-CG2 3.42Å; V71-T91 VanDerWaalsContact CG2-CG2 3.42Å; V71-V95 HydrophobicContact CG2-CG1 3.68Å; V71-R96 CarbonylContact C-O 3.52Å; V71-R96 WeakPolarHBondContact CA-O 3.13Å; V71-L97 HydrophobicContact CB-CD2 3.84Å; V71-L97 HydrophobicContact CG2-CD2 3.76Å
72	N	94.7	Very high	92.3	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	32.8	-177.2	-69.5	-19.4	0	0	0	113.7	H74 R96	N72-H74 VanDerWaalsContact C-N 3.32Å; N72-R96 PolarHBondContact N-O 3.29Å; N72-R96 PolarHBondContact OD1-N 3.01Å
73	G	92.3	Very high	92	Very high	65 Å²	65	53.6 Å²	53.6	67%	0.67	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-2.8	-176.9	0	0	0	0	0	115	V71	V71-G73 PolarHBondContact O-N 3.32Å; V71-G73 VanDerWaalsContact O-N 3.09Å
74	H	93.7	Very high	91.9	Very high	123 Å²	123	49.6 Å²	49.6	57%	0.569	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	121	167.8	-70	-74.3	0	0	0	109.9	E70 V71 N72 L76 V87	E70-H74 CarbonylContact C-O 3.41Å; E70-H74 WeakPolarHBondContact CA-O 3.25Å; V71-H74 HydrophobicContact CG1-CB 4.48Å; V71-H74 PolarHBondContact N-O 2.98Å; V71-H74 WeakPolarHBondContact O-CB 3.39Å; V71-H74 PolarHBondContact O-N 2.88Å; N72-H74 VanDerWaalsContact C-N 3.32Å; H74-L76 PolarHBondContact O-N 3.38Å; H74-V87 HydrophobicContact CB-CG1 4.19Å
75	S	94.7	Very high	91.9	Very high	56 Å²	56	48.4 Å²	48.4	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.8	173.2	-179.1	0	0	0	0	110.9	R77 V79	S75-R77 WeakPolarHBondContact OG-CB 3.27Å; S75-R77 PolarHBondContact OG-N 2.96Å; S75-R77 VanDerWaalsContact OG-N 3.15Å; S75-V79 WeakPolarHBondContact O-CG2 3.34Å
76	L	93.9	Very high	92	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	28%	0.278	C	S	.	.			trans	-103.1	-1.1	168.7	-59.7	179.2	0	0	0	111.6	I45 L68 L69 V71 H74 V79 A84 L88	I45-L76 HydrophobicContact CG1-CB 4.25Å; L68-L76 HydrophobicContact CB-CD1 3.82Å; L69-L76 PolarHBondContact O-N 2.91Å; V71-L76 HydrophobicContact CB-CD1 4.31Å; V71-L76 HydrophobicContact CG1-CD1 4Å; V71-L76 HydrophobicContact CG1-CD2 3.86Å; V71-L76 HydrophobicContact CG1-CG 4.03Å; H74-L76 PolarHBondContact O-N 3.38Å; L76-V79 PolarHBondContact O-N 3.13Å; L76-A84 HydrophobicContact CD2-CB 4.06Å; L76-L88 HydrophobicContact CD1-CD1 4.16Å
77	R	91.9	Very high	92	Very high	90 Å²	90	52.1 Å²	52.1	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	134	171	-56.5	-174.5	-177.6	94.6	-7.5	109.2	E18 L69 E70 S75 V79	E18-R77 VanDerWaalsContact CD-NH2 3.31Å; E18-R77 IonicContact OE1-CZ 3.32Å; E18-R77 IonicContact OE1-NH2 3.57Å; E18-R77 PolarHBondContact OE1-NH2 2.79Å; E18-R77 IonicContact OE2-NH2 2.75Å; E18-R77 PolarHBondContact OE2-NH2 3.29Å; L69-R77 HydrophobicContact CD2-CG 4.46Å; E70-R77 IonicContact OE1-NH1 3.47Å; E70-R77 PolarHBondContact OE1-NH1 2.92Å; S75-R77 WeakPolarHBondContact OG-CB 3.27Å; S75-R77 PolarHBondContact OG-N 2.96Å; S75-R77 VanDerWaalsContact OG-N 3.15Å; R77-V79 PolarHBondContact O-N 2.76Å; R77-V79 VanDerWaalsContact O-N 3.14Å
78	D	89.5	Confident	91.9	Very high	136 Å²	136	49.8 Å²	49.8	73%	0.727	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.2	-178.8	-55.6	-52.9	0	0	0	115.6	S38	S38-D78 VanDerWaalsContact CB-O 3.28Å; S38-D78 WeakPolarHBondContact CB-O 3.4Å; S38-D78 VanDerWaalsContact OG-C 3.31Å; S38-D78 PolarHBondContact OG-O 3.1Å
79	V	90.9	Very high	91.6	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	31%	0.313	C	S	.	.			trans	-88.3	134.8	177.9	179	0	0	0	0	110.5	G37 S38 S75 L76 R77 E83 A84	G37-V79 WeakPolarHBondContact CA-O 3.29Å; S38-V79 PolarHBondContact N-O 3.29Å; S38-V79 PolarHBondContact OG-O 2.81Å; S75-V79 WeakPolarHBondContact O-CG2 3.34Å; L76-V79 PolarHBondContact O-N 3.13Å; R77-V79 PolarHBondContact O-N 2.76Å; R77-V79 VanDerWaalsContact O-N 3.14Å; V79-E83 HydrophobicContact CG1-CB 3.67Å; V79-E83 HydrophobicContact CG1-CG 3.71Å; V79-A84 HydrophobicContact CG1-CB 3.97Å
80	P	86.7	Confident	91.4	Very high	44 Å²	44	66.6 Å²	66.6	29%	0.286	35%	0.347	S	S	.	.			trans	-68.3	157.7	175.2	28.6	-34	0	0	0	111.3	D39 D82 E83 A84	D39-P80 HydrophobicContact CB-CB 4.21Å; D39-P80 VanDerWaalsContact OD1-CA 3.3Å; D39-P80 WeakPolarHBondContact OD1-CA 3.46Å; P80-D82 PolarHBondContact O-N 3.06Å; P80-E83 WeakPolarHBondContact CD-OE2 3.36Å; P80-E83 HydrophobicContact CG-CB 3.82Å; P80-E83 PolarHBondContact O-N 3.14Å; P80-A84 PolarHBondContact O-N 2.84Å; P80-A84 VanDerWaalsContact O-N 3.1Å
81	H	84.8	Confident	91.1	Very high	16 Å²	16	64.6 Å²	64.6	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-49.3	-57.3	-173.6	-172.6	73.7	0	0	0	113.4	L34 G36 D39 E83 A84 I85	L34-H81 PolarHBondContact O-CE1 3.44Å; G36-H81 WeakPolarHBondContact O-CB 3.42Å; G36-H81 VanDerWaalsContact O-CG 3.32Å; G36-H81 PolarHBondContact O-ND1 3.03Å; D39-H81 PolarHBondContact OD1-N 3.12Å; H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 2.72Å; H81-A84 WeakPolarHBondContact O-CB 3.44Å; H81-A84 PolarHBondContact O-N 2.99Å; H81-A84 VanDerWaalsContact O-N 3.16Å; H81-I85 WeakPolarHBondContact O-CG1 3.13Å; H81-I85 PolarHBondContact O-N 3.29Å
82	D	84.3	Confident	90.9	Very high	120 Å²	120	68.3 Å²	68.3	64%	0.642	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-34	-173.1	-72	-19.8	0	0	0	112.9	P80 S86	P80-D82 PolarHBondContact O-N 3.06Å; D82-S86 WeakPolarHBondContact O-CB 3.24Å; D82-S86 PolarHBondContact O-N 3.33Å; D82-S86 PolarHBondContact O-OG 3.4Å
83	E	90.7	Very high	90.8	Very high	108 Å²	108	68.5 Å²	68.5	51%	0.505	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-45.2	175.9	-175.1	177.3	169.6	0	0	110.5	V79 P80 H81 I85 S86 V87	V79-E83 HydrophobicContact CG1-CB 3.67Å; V79-E83 HydrophobicContact CG1-CG 3.71Å; P80-E83 WeakPolarHBondContact CD-OE2 3.36Å; P80-E83 HydrophobicContact CG-CB 3.82Å; P80-E83 PolarHBondContact O-N 3.14Å; H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 2.72Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-I85 PolarHBondContact O-N 2.82Å; E83-S86 WeakPolarHBondContact O-CB 3.49Å; E83-S86 PolarHBondContact O-N 3.04Å; E83-S86 VanDerWaalsContact O-N 3.08Å; E83-V87 WeakPolarHBondContact O-CG2 3.24Å; E83-V87 PolarHBondContact O-N 2.84Å
84	A	90.8	Very high	90.9	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.4	-42.9	176.1	0	0	0	0	0	112.3	I45 L76 V79 P80 H81 S86 V87 L88	I45-A84 HydrophobicContact CD1-CB 3.3Å; I45-A84 HydrophobicContact CG1-CB 3.56Å; L76-A84 HydrophobicContact CD2-CB 4.06Å; V79-A84 HydrophobicContact CG1-CB 3.97Å; P80-A84 PolarHBondContact O-N 2.84Å; P80-A84 VanDerWaalsContact O-N 3.1Å; H81-A84 WeakPolarHBondContact O-CB 3.44Å; H81-A84 PolarHBondContact O-N 2.99Å; H81-A84 VanDerWaalsContact O-N 3.16Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 2.74Å; A84-V87 PolarHBondContact O-N 2.84Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CD1 3.1Å; A84-L88 WeakPolarHBondContact O-CG 3.34Å; A84-L88 PolarHBondContact O-N 2.85Å
85	I	90.2	Very high	91.1	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-43.1	173.7	-62.6	-53.7	0	0	0	110.8	L34 H81 E83 L88 R89	L34-I85 HydrophobicContact CB-CD1 3.82Å; L34-I85 HydrophobicContact CD1-CD1 3.84Å; L34-I85 HydrophobicContact CG-CD1 4.37Å; H81-I85 WeakPolarHBondContact O-CG1 3.13Å; H81-I85 PolarHBondContact O-N 3.29Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-I85 PolarHBondContact O-N 2.82Å; I85-L88 PolarHBondContact O-N 2.96Å; I85-R89 HydrophobicContact CG2-CG 4.29Å; I85-R89 VanDerWaalsContact CG2-NE 3.32Å; I85-R89 WeakPolarHBondContact O-CB 3.31Å; I85-R89 VanDerWaalsContact O-CG 3.26Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 2.87Å
86	S	90.3	Very high	91.2	Very high	57 Å²	57	68.6 Å²	68.6	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-46	179.7	-63.5	0	0	0	0	111.6	D82 E83 A84 R89 Q90	D82-S86 WeakPolarHBondContact O-CB 3.24Å; D82-S86 PolarHBondContact O-N 3.33Å; D82-S86 PolarHBondContact O-OG 3.4Å; E83-S86 WeakPolarHBondContact O-CB 3.49Å; E83-S86 PolarHBondContact O-N 3.04Å; E83-S86 VanDerWaalsContact O-N 3.08Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 2.74Å; S86-R89 PolarHBondContact O-N 2.8Å; S86-Q90 VanDerWaalsContact O-CG 3.28Å; S86-Q90 WeakPolarHBondContact O-CG 3.35Å; S86-Q90 PolarHBondContact O-N 3.27Å; S86-Q90 PolarHBondContact O-NE2 2.8Å
87	V	93.6	Very high	91.3	Very high	35 Å²	35	68.5 Å²	68.5	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-47.1	176.7	177.3	0	0	0	0	110.7	V71 H74 E83 A84 R89 Q90 T91	V71-V87 HydrophobicContact CG1-CB 4.46Å; V71-V87 HydrophobicContact CG1-CG1 3.42Å; V71-V87 VanDerWaalsContact CG1-CG1 3.42Å; H74-V87 HydrophobicContact CB-CG1 4.19Å; E83-V87 WeakPolarHBondContact O-CG2 3.24Å; E83-V87 PolarHBondContact O-N 2.84Å; A84-V87 PolarHBondContact O-N 2.84Å; V87-R89 VanDerWaalsContact C-N 3.32Å; V87-R89 PolarHBondContact O-N 2.99Å; V87-Q90 PolarHBondContact O-N 3.16Å; V87-Q90 VanDerWaalsContact O-N 3.15Å; V87-T91 PolarHBondContact O-N 3.23Å
88	L	92.5	Very high	91.6	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-34.2	-179.7	-78.1	158.2	0	0	0	112.8	L34 L68 V71 L76 A84 I85 Q90 T91 L97	L34-L88 HydrophobicContact CD1-CD1 3.29Å; L68-L88 HydrophobicContact CD1-CD1 4.06Å; L68-L88 HydrophobicContact CD1-CD2 4.42Å; V71-L88 HydrophobicContact CB-CD2 3.98Å; V71-L88 HydrophobicContact CG1-CD2 4.21Å; V71-L88 HydrophobicContact CG1-CG 4.31Å; V71-L88 HydrophobicContact CG2-CD2 3.75Å; L76-L88 HydrophobicContact CD1-CD1 4.16Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CD1 3.1Å; A84-L88 WeakPolarHBondContact O-CG 3.34Å; A84-L88 PolarHBondContact O-N 2.85Å; I85-L88 PolarHBondContact O-N 2.96Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; L88-T91 PolarHBondContact O-N 3.33Å; L88-T91 PolarHBondContact O-OG1 2.86Å; L88-L97 HydrophobicContact CD2-CD2 3.98Å
89	R	89.9	Confident	91.9	Very high	202 Å²	202	58.7 Å²	58.7	76%	0.762	29%	0.293	S	S	*	.	H	α-helix	trans	-68.2	-30.3	174.8	-76.8	175	179.9	-110.6	2.6	113.3	I85 S86 V87 T91	I85-R89 HydrophobicContact CG2-CG 4.29Å; I85-R89 VanDerWaalsContact CG2-NE 3.32Å; I85-R89 WeakPolarHBondContact O-CB 3.31Å; I85-R89 VanDerWaalsContact O-CG 3.26Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 2.87Å; S86-R89 PolarHBondContact O-N 2.8Å; V87-R89 VanDerWaalsContact C-N 3.32Å; V87-R89 PolarHBondContact O-N 2.99Å; R89-T91 VanDerWaalsContact C-N 3.3Å; R89-T91 PolarHBondContact O-N 3.4Å
90	Q	90.2	Very high	92	Very high	161 Å²	161	60.7 Å²	60.7	75%	0.752	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.3	-178.9	-69.1	171.9	34.7	0	0	113.8	S86 V87 L88	S86-Q90 VanDerWaalsContact O-CG 3.28Å; S86-Q90 WeakPolarHBondContact O-CG 3.35Å; S86-Q90 PolarHBondContact O-N 3.27Å; S86-Q90 PolarHBondContact O-NE2 2.8Å; V87-Q90 PolarHBondContact O-N 3.16Å; V87-Q90 VanDerWaalsContact O-N 3.15Å; L88-Q90 VanDerWaalsContact C-N 3.33Å
91	T	91.8	Very high	92.3	Very high	16 Å²	16	60.7 Å²	60.7	10%	0.098	29%	0.294	C	S	.	.			trans	-63.2	145.7	179.8	55.1	0	0	0	0	112.6	K25 V71 V87 L88 R89 V95	K25-T91 WeakPolarHBondContact CE-OG1 3.26Å; K25-T91 PolarHBondContact NZ-O 3.14Å; K25-T91 PolarHBondContact NZ-OG1 2.95Å; V71-T91 HydrophobicContact CG2-CG2 3.42Å; V71-T91 VanDerWaalsContact CG2-CG2 3.42Å; V87-T91 PolarHBondContact O-N 3.23Å; L88-T91 PolarHBondContact O-N 3.33Å; L88-T91 PolarHBondContact O-OG1 2.86Å; R89-T91 VanDerWaalsContact C-N 3.3Å; R89-T91 PolarHBondContact O-N 3.4Å; T91-V95 HydrophobicContact CG2-CG1 3.99Å; T91-V95 HydrophobicContact CG2-CG2 4.39Å
92	S	90.8	Very high	92.4	Very high	79 Å²	79	62.6 Å²	62.6	55%	0.552	30%	0.304	S	S	*	.			trans	-76.3	-166.4	176.1	64.2	0	0	0	0	112	K25 K94 V95	K25-S92 VanDerWaalsContact CD-O 3.31Å; K25-S92 WeakPolarHBondContact CD-O 3.42Å; K25-S92 VanDerWaalsContact CE-O 3.24Å; K25-S92 WeakPolarHBondContact CE-O 3.45Å; K25-S92 PolarHBondContact NZ-O 3.17Å; S92-K94 PolarHBondContact OG-O 2.85Å; S92-V95 WeakPolarHBondContact O-CG2 3.33Å
93	S	93	Very high	92.3	Very high	58 Å²	58	60.9 Å²	60.9	41%	0.406	30%	0.302	S	S	.	.	S	Bend	trans	-61.5	-43.8	-178.4	-162.2	0	0	0	0	112.3	D24 K25	D24-S93 PolarHBondContact OD1-OG 3.32Å; K25-S93 VanDerWaalsContact CB-O 3.32Å; K25-S93 WeakPolarHBondContact CB-O 3.33Å; K25-S93 WeakPolarHBondContact CG-O 3.42Å; K25-S93 PolarHBondContact N-O 3.12Å
94	K	95.2	Very high	91.6	Very high	112 Å²	112	64.4 Å²	64.4	49%	0.487	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.1	176.4	-71.8	-177.3	161.9	-131.6	0	109.6	E22 S92	E22-K94 HydrophobicContact CG-CB 4.48Å; E22-K94 WeakPolarHBondContact OE1-CD 3.4Å; E22-K94 WeakPolarHBondContact OE1-CE 3.36Å; E22-K94 IonicContact OE1-NZ 2.85Å; E22-K94 PolarHBondContact OE1-NZ 2.96Å; S92-K94 PolarHBondContact OG-O 2.85Å
95	V	97.1	Very high	90.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.2	-177.9	-171.8	0	0	0	0	109.2	E22 I23 K25 L30 V71 T91 S92 L97	E22-V95 CarbonylContact C-O 3.57Å; E22-V95 WeakPolarHBondContact CA-O 3.4Å; I23-V95 PolarHBondContact N-O 2.97Å; I23-V95 PolarHBondContact O-N 3.42Å; K25-V95 HydrophobicContact CD-CG2 4.34Å; K25-V95 VanDerWaalsContact CE-CG2 3.49Å; K25-V95 HydrophobicContact CG-CG2 4.32Å; L30-V95 HydrophobicContact CD1-CB 4.09Å; L30-V95 HydrophobicContact CD1-CG1 4.17Å; L30-V95 HydrophobicContact CD1-CG2 3.6Å; V71-V95 HydrophobicContact CG2-CG1 3.68Å; T91-V95 HydrophobicContact CG2-CG1 3.99Å; T91-V95 HydrophobicContact CG2-CG2 4.39Å; S92-V95 WeakPolarHBondContact O-CG2 3.33Å; V95-L97 HydrophobicContact CG1-CD2 3.88Å; V95-L97 HydrophobicContact CG1-CG 4.05Å
96	R	96.7	Very high	89.1	Confident	135 Å²	135	71.8 Å²	71.8	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.3	171.5	-71.8	-176.2	-74.6	175.9	-3.8	109.1	L20 I21 E22 V71 N72	L20-R96 HydrophobicContact CD1-CB 4.36Å; I21-R96 CarbonylContact O-C 3.57Å; I21-R96 VanDerWaalsContact O-CA 3.23Å; I21-R96 WeakPolarHBondContact O-CA 3.35Å; E22-R96 HydrophobicContact CB-CG 4.09Å; E22-R96 HydrophobicContact CG-CG 4.1Å; V71-R96 CarbonylContact C-O 3.52Å; V71-R96 WeakPolarHBondContact CA-O 3.13Å; N72-R96 PolarHBondContact N-O 3.29Å; N72-R96 PolarHBondContact OD1-N 3.01Å
97	L	97.6	Very high	87.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.5	178.9	-63	173.1	0	0	0	109.3	L20 I21 I23 L30 L62 L68 E70 V71 L88 V95 V99	L20-L97 WeakPolarHBondContact CA-O 3.5Å; I21-L97 HydrophobicContact CD1-CB 4.42Å; I21-L97 HydrophobicContact CD1-CD1 4.48Å; I21-L97 HydrophobicContact CG1-CB 3.9Å; I21-L97 PolarHBondContact N-O 2.77Å; I21-L97 PolarHBondContact O-N 3.49Å; I23-L97 HydrophobicContact CD1-CD1 3.99Å; L30-L97 HydrophobicContact CD2-CD1 4.13Å; L62-L97 HydrophobicContact CD1-CD1 3.96Å; L68-L97 HydrophobicContact CD2-CD1 4.35Å; E70-L97 WeakPolarHBondContact O-CA 3.34Å; V71-L97 HydrophobicContact CB-CD2 3.84Å; V71-L97 HydrophobicContact CG2-CD2 3.76Å; L88-L97 HydrophobicContact CD2-CD2 3.98Å; V95-L97 HydrophobicContact CG1-CD2 3.88Å; V95-L97 HydrophobicContact CG1-CG 4.05Å; L97-V99 HydrophobicContact CB-CG2 3.88Å
98	L	96.4	Very high	86.6	Confident	20 Å²	20	75.5 Å²	75.5	11%	0.105	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.3	163.5	-168.5	68.5	0	0	0	107.9	E18 L20 L69 E70	E18-L98 HydrophobicContact CB-CD1 4.07Å; E18-L98 HydrophobicContact CB-CG 4.31Å; L20-L98 HydrophobicContact CB-CD1 4.13Å; L20-L98 HydrophobicContact CD1-CD1 4.47Å; L69-L98 HydrophobicContact CB-CB 4.28Å; L69-L98 HydrophobicContact CB-CD2 4.17Å; L69-L98 HydrophobicContact CB-CG 4.27Å; L69-L98 HydrophobicContact CD1-CD2 4.39Å; L69-L98 HydrophobicContact CD1-CG 4.42Å; L69-L98 PolarHBondContact N-O 3.35Å; E70-L98 HydrophobicContact CB-CB 3.71Å; E70-L98 HydrophobicContact CB-CD2 4.44Å; E70-L98 HydrophobicContact CG-CB 3.99Å; E70-L98 HydrophobicContact CG-CD2 3.79Å; E70-L98 PolarHBondContact N-O 3.42Å; E70-L98 PolarHBondContact O-N 2.78Å
99	V	96.7	Very high	85.4	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.3	-170.7	-173.3	0	0	0	0	110.1	I13 E18 T19 I21 L62 D66 Q67 L68 L97	I13-V99 HydrophobicContact CD1-CB 4.34Å; I13-V99 HydrophobicContact CD1-CG1 4.08Å; I13-V99 HydrophobicContact CD1-CG2 4.45Å; I13-V99 HydrophobicContact CG2-CG1 4.26Å; E18-V99 CarbonylContact C-O 3.55Å; E18-V99 WeakPolarHBondContact CA-O 3.48Å; T19-V99 PolarHBondContact N-O 2.93Å; T19-V99 PolarHBondContact O-N 3.38Å; I21-V99 HydrophobicContact CD1-CG2 3.9Å; I21-V99 HydrophobicContact CG1-CG2 4.03Å; L62-V99 HydrophobicContact CD2-CG1 3.94Å; L62-V99 HydrophobicContact CD2-CG2 3.88Å; D66-V99 HydrophobicContact CB-CG1 3.77Å; Q67-V99 WeakPolarHBondContact O-CA 3.26Å; L68-V99 HydrophobicContact CD2-CG2 4.04Å; L97-V99 HydrophobicContact CB-CG2 3.88Å
100	Y	93.4	Very high	84.4	Confident	61 Å²	61	70 Å²	70	24%	0.239	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	169.4	-175.2	-89.8	0	0	0	110.3	E16 E18 Q67 D102	E16-Y100 VanDerWaalsContact C-CE2 3.49Å; E16-Y100 WeakPolarHBondContact CA-OH 3.45Å; E16-Y100 PolarHBondContact OE2-OH 2.98Å; E18-Y100 HydrophobicContact CG-CD2 4.27Å; Q67-Y100 PolarHBondContact N-O 3.39Å; Q67-Y100 PolarHBondContact O-N 3.17Å; Y100-D102 HydrophobicContact CD1-CB 4.46Å; Y100-D102 HydrophobicContact CE1-CB 3.97Å
101	R	92.8	Very high	83.5	Confident	44 Å²	44	66.9 Å²	66.9	17%	0.166	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-112.8	107.7	177.9	177.7	171.6	-68	166	-1.8	109.9	I13 P15 E16 R61 N63 D66	I13-R101 HydrophobicContact CG2-CB 3.94Å; I13-R101 PolarHBondContact O-NH1 3.27Å; I13-R101 VanDerWaalsContact O-NH1 3.17Å; P15-R101 CarbonylContact C-O 3.55Å; P15-R101 WeakPolarHBondContact CA-O 3.15Å; E16-R101 PolarHBondContact N-O 2.71Å; R61-R101 PolarHBondContact O-NH2 2.86Å; N63-R101 PolarHBondContact ND2-NH2 3.44Å; D66-R101 WeakPolarHBondContact OD1-CG 3.48Å; D66-R101 IonicContact OD1-CZ 3.7Å; D66-R101 IonicContact OD1-NE 2.75Å; D66-R101 PolarHBondContact OD1-NE 3.48Å; D66-R101 IonicContact OD1-NH2 3.86Å; D66-R101 PolarHBondContact OD1-NH2 2.81Å; D66-R101 IonicContact OD2-CZ 2.74Å; D66-R101 IonicContact OD2-NE 3.45Å; D66-R101 IonicContact OD2-NH2 2.71Å; D66-R101 PolarHBondContact OD2-NH2 2.92Å
102	D	86.7	Confident	82.3	Confident	55 Å²	55	69.7 Å²	69.7	29%	0.294	35%	0.353	S	S	.	.			trans	-82.7	114.7	170.3	-173.5	-10.7	0	0	0	109.3	E16 Y100 R104 M105	E16-D102 WeakPolarHBondContact OE1-CA 3.3Å; Y100-D102 HydrophobicContact CD1-CB 4.46Å; Y100-D102 HydrophobicContact CE1-CB 3.97Å; D102-R104 PolarHBondContact O-N 3.15Å; D102-R104 WeakPolarHBondContact OD1-CA 3.43Å; D102-R104 VanDerWaalsContact OD1-CB 3.27Å; D102-R104 WeakPolarHBondContact OD1-CB 3.41Å; D102-R104 PolarHBondContact OD1-N 3.4Å; D102-R104 IonicContact OD1-NE 2.78Å; D102-M105 HydrophobicContact CB-CB 4.06Å; D102-M105 HydrophobicContact CB-CG 4.29Å; D102-M105 WeakPolarHBondContact O-CB 3.4Å; D102-M105 PolarHBondContact O-N 3.45Å
103	S	81.7	Confident	81.5	Confident	85 Å²	85	73.5 Å²	73.5	59%	0.594	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	176.2	57.6	0	0	0	0	113.3	E16	E16-S103 WeakPolarHBondContact OE1-CB 3.46Å; E16-S103 PolarHBondContact OE1-N 3.44Å; E16-S103 PolarHBondContact OE1-OG 2.8Å
104	R	75.8	Confident	80.6	Confident	181 Å²	181	74 Å²	74	68%	0.683	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-4.4	179.7	-59.1	173	-72.2	-179.3	-6.6	113	E16 D102 K106	E16-R104 IonicContact OE2-NH2 3.94Å; D102-R104 PolarHBondContact O-N 3.15Å; D102-R104 WeakPolarHBondContact OD1-CA 3.43Å; D102-R104 VanDerWaalsContact OD1-CB 3.27Å; D102-R104 WeakPolarHBondContact OD1-CB 3.41Å; D102-R104 PolarHBondContact OD1-N 3.4Å; D102-R104 IonicContact OD1-NE 2.78Å; R104-K106 PolarHBondContact O-N 2.97Å
105	M	70.8	Confident	79.7	Confident	51 Å²	51	69 Å²	69	25%	0.251	34%	0.336	S	S	.	.			trans	-59.1	105.8	176.8	-127	-77.1	160.2	0	0	108.3	I46 D102 S107 L109	I46-M105 HydrophobicContact CD1-CE 3.85Å; D102-M105 HydrophobicContact CB-CB 4.06Å; D102-M105 HydrophobicContact CB-CG 4.29Å; D102-M105 WeakPolarHBondContact O-CB 3.4Å; D102-M105 PolarHBondContact O-N 3.45Å; M105-S107 PolarHBondContact O-N 3.5Å; M105-L109 HydrophobicContact CE-CB 4.45Å; M105-L109 HydrophobicContact CE-CD1 3.73Å; M105-L109 HydrophobicContact SD-CD1 4.2Å
106	K	59	Low	79.1	Confident	141 Å²	141	70 Å²	70	61%	0.613	34%	0.34	S	S	*	.			trans	-73.8	119.7	-178.1	-65.8	-176.1	-178.7	178.6	0	107.5	R104 N108 L109	R104-K106 PolarHBondContact O-N 2.97Å; K106-N108 HydrophobicContact CB-CB 4.37Å; K106-N108 PolarHBondContact O-N 2.99Å; K106-L109 WeakPolarHBondContact O-CB 3.26Å; K106-L109 PolarHBondContact O-N 2.98Å
107	S	64.7	Low	78.6	Confident	86 Å²	86	67.6 Å²	67.6	60%	0.601	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-50	-26.4	174.5	59.4	0	0	0	0	112.7	M105 L109 L110 E111	M105-S107 PolarHBondContact O-N 3.5Å; S107-L109 PolarHBondContact O-N 2.92Å; S107-L110 CarbonylContact O-C 3.5Å; S107-L110 WeakPolarHBondContact O-CA 3.32Å; S107-L110 WeakPolarHBondContact O-CB 3.42Å; S107-L110 PolarHBondContact O-N 3.3Å; S107-E111 PolarHBondContact O-N 3.31Å
108	N	65.7	Low	78.3	Confident	83 Å²	83	71.3 Å²	71.3	44%	0.444	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-52.4	-39.6	173.4	-32.5	-3.8	0	0	0	112.3	K106 L110 E111 N114	K106-N108 HydrophobicContact CB-CB 4.37Å; K106-N108 PolarHBondContact O-N 2.99Å; N108-L110 PolarHBondContact O-N 3.3Å; N108-E111 VanDerWaalsContact O-CB 3.3Å; N108-E111 WeakPolarHBondContact O-CB 3.44Å; N108-E111 WeakPolarHBondContact O-CG 3.48Å; N108-E111 PolarHBondContact O-N 2.78Å; N108-N114 PolarHBondContact O-ND2 2.79Å
109	L	68.5	Low	78.2	Confident	88 Å²	88	72.7 Å²	72.7	46%	0.461	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-63.9	-25	177.7	-70.6	172.2	0	0	0	111.9	M105 K106 S107 E111	M105-L109 HydrophobicContact CE-CB 4.45Å; M105-L109 HydrophobicContact CE-CD1 3.73Å; M105-L109 HydrophobicContact SD-CD1 4.2Å; K106-L109 WeakPolarHBondContact O-CB 3.26Å; K106-L109 PolarHBondContact O-N 2.98Å; S107-L109 PolarHBondContact O-N 2.92Å; L109-E111 VanDerWaalsContact C-N 3.34Å
110	L	68.7	Low	78.2	Confident	15 Å²	15	77.8 Å²	77.8	8%	0.079	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-90.7	5.2	176.3	-55.8	175.3	0	0	0	113	V35 I46 H48 A64 S107 N108 I115	V35-L110 HydrophobicContact CG2-CD2 4.16Å; I46-L110 HydrophobicContact CG2-CD2 3.98Å; H48-L110 PolarHBondContact CE1-O 3.18Å; H48-L110 PolarHBondContact ND1-O 3.2Å; A64-L110 HydrophobicContact CB-CD1 4.31Å; S107-L110 CarbonylContact O-C 3.5Å; S107-L110 WeakPolarHBondContact O-CA 3.32Å; S107-L110 WeakPolarHBondContact O-CB 3.42Å; S107-L110 PolarHBondContact O-N 3.3Å; N108-L110 PolarHBondContact O-N 3.3Å; L110-I115 VanDerWaalsContact C-CD1 3.47Å; L110-I115 VanDerWaalsContact CA-CD1 3.48Å; L110-I115 HydrophobicContact CB-CD1 4.13Å; L110-I115 HydrophobicContact CD2-CD1 4.27Å; L110-I115 WeakPolarHBondContact O-CD1 3.47Å
111	E	69.5	Low	78.4	Confident	95 Å²	95	75.2 Å²	75.2	44%	0.444	38%	0.376	S	S	.	.	S	Bend	trans	-64.6	143.4	173.3	-74.9	175.9	-162.4	0	0	110.4	S107 N108 L109 K113 N114 I115	S107-E111 PolarHBondContact O-N 3.31Å; N108-E111 VanDerWaalsContact O-CB 3.3Å; N108-E111 WeakPolarHBondContact O-CB 3.44Å; N108-E111 WeakPolarHBondContact O-CG 3.48Å; N108-E111 PolarHBondContact O-N 2.78Å; L109-E111 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 2.81Å; E111-N114 WeakPolarHBondContact O-CA 3.09Å; E111-N114 PolarHBondContact O-N 2.88Å; E111-I115 PolarHBondContact O-N 2.84Å
112	P	68.2	Low	78.6	Confident	74 Å²	74	78.1 Å²	78.1	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-53.5	-33.2	-177.4	-29.5	34.6	0	0	0	114.3	N114 Y116	P112-N114 PolarHBondContact O-N 3.33Å; P112-Y116 HydrophobicContact CB-CD2 4.24Å; P112-Y116 WeakPolarHBondContact O-CA 3.2Å; P112-Y116 WeakPolarHBondContact O-CB 3.38Å; P112-Y116 PolarHBondContact O-N 2.88Å
113	K	73.6	Confident	79.1	Confident	159 Å²	159	75.7 Å²	75.7	69%	0.691	38%	0.379	S	S	*	.	H	α-helix	trans	-66.3	-27.2	177.5	-63.2	-179.1	-179.2	177.7	0	113.2	E111 K202	E111-K113 PolarHBondContact O-N 2.81Å; K113-K202 PolarHBondContact O-NZ 2.88Å
114	N	74	Confident	79.7	Confident	69 Å²	69	76.3 Å²	76.3	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-91.5	-28.9	-176.6	-66.6	-30.4	0	0	0	112	N108 E111 P112 K202	N108-N114 PolarHBondContact O-ND2 2.79Å; E111-N114 WeakPolarHBondContact O-CA 3.09Å; E111-N114 PolarHBondContact O-N 2.88Å; P112-N114 PolarHBondContact O-N 3.33Å; N114-K202 VanDerWaalsContact O-CD 3.24Å; N114-K202 WeakPolarHBondContact O-CD 3.36Å
115	I	77.2	Confident	80.5	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-93	-40.4	177.7	-53.9	162.8	0	0	0	112.3	V35 H48 L110 E111 K202	V35-I115 HydrophobicContact CB-CG2 3.84Å; V35-I115 HydrophobicContact CG1-CD1 4.19Å; V35-I115 HydrophobicContact CG1-CG2 3.56Å; V35-I115 HydrophobicContact CG2-CD1 4.33Å; V35-I115 HydrophobicContact CG2-CG2 4.46Å; H48-I115 VanDerWaalsContact CE1-CD1 3.46Å; H48-I115 WeakPolarHBondContact CE1-CD1 3.12Å; H48-I115 WeakPolarHBondContact ND1-CD1 3.31Å; L110-I115 VanDerWaalsContact C-CD1 3.47Å; L110-I115 VanDerWaalsContact CA-CD1 3.48Å; L110-I115 HydrophobicContact CB-CD1 4.13Å; L110-I115 HydrophobicContact CD2-CD1 4.27Å; L110-I115 WeakPolarHBondContact O-CD1 3.47Å; E111-I115 PolarHBondContact O-N 2.84Å; I115-K202 VanDerWaalsContact O-CB 3.24Å; I115-K202 WeakPolarHBondContact O-CB 3.46Å; I115-K202 VanDerWaalsContact O-CG 3.32Å; I115-K202 WeakPolarHBondContact O-CG 3.37Å; I115-K202 PolarHBondContact O-N 3.35Å
116	Y	82.6	Confident	81.2	Confident	21 Å²	21	73.1 Å²	73.1	8%	0.082	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.3	-173.7	-62.4	-82.1	0	0	0	111.7	P112 I118 R200 I201	P112-Y116 HydrophobicContact CB-CD2 4.24Å; P112-Y116 WeakPolarHBondContact O-CA 3.2Å; P112-Y116 WeakPolarHBondContact O-CB 3.38Å; P112-Y116 PolarHBondContact O-N 2.88Å; Y116-I118 PolarHBondContact O-N 2.81Å; Y116-R200 CarbonylContact C-O 3.5Å; Y116-R200 WeakPolarHBondContact CA-O 3.48Å; Y116-I201 HydrophobicContact CD1-CG1 4.07Å; Y116-I201 HydrophobicContact CE1-CG1 3.56Å
117	D	87.6	Confident	82.5	Confident	84 Å²	84	72.9 Å²	72.9	45%	0.449	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	109	156.9	-76.2	-33.6	0	0	0	107.7	F119 G199 R200 K202	D117-F119 WeakPolarHBondContact O-CD1 3.29Å; D117-G199 WeakPolarHBondContact O-CA 3.48Å; D117-R200 PolarHBondContact N-O 3.45Å; D117-R200 PolarHBondContact O-N 3.36Å; D117-K202 HydrophobicContact CB-CG 4.38Å; D117-K202 WeakPolarHBondContact OD1-CE 3.39Å; D117-K202 WeakPolarHBondContact OD1-CG 3.38Å; D117-K202 IonicContact OD1-NZ 3.1Å; D117-K202 WeakPolarHBondContact OD2-CG 3.49Å
118	I	91.3	Very high	83.4	Confident	78 Å²	78	73.2 Å²	73.2	40%	0.4	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.9	176.6	-59.8	176.8	0	0	0	108.1	Y116 L168 K197 L198	Y116-I118 PolarHBondContact O-N 2.81Å; I118-L168 HydrophobicContact CD1-CD1 4.42Å; I118-L168 HydrophobicContact CG1-CD1 4.2Å; I118-L168 HydrophobicContact CG2-CD1 4.23Å; I118-K197 HydrophobicContact CG2-CD 4.33Å; I118-K197 HydrophobicContact CG2-CG 4.01Å; I118-L198 VanDerWaalsContact CA-O 3.3Å; I118-L198 WeakPolarHBondContact CA-O 3.31Å
119	F	94.6	Very high	84.3	Confident	50 Å²	50	75.9 Å²	75.9	22%	0.219	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.7	179.4	62.6	-79.4	0	0	0	111.2	D117 V121 L198 R200	D117-F119 WeakPolarHBondContact O-CD1 3.29Å; F119-V121 HydrophobicContact CD2-CG2 3.72Å; F119-V121 HydrophobicContact CE2-CG2 3.7Å; F119-L198 HydrophobicContact CD2-CD1 4.47Å; F119-L198 HydrophobicContact CE1-CB 3.97Å; F119-L198 HydrophobicContact CE2-CB 4.13Å; F119-L198 HydrophobicContact CE2-CD1 4.01Å; F119-L198 HydrophobicContact CZ-CB 3.77Å; F119-L198 HydrophobicContact CZ-CD1 4.42Å; F119-L198 HydrophobicContact CZ-CG 4.49Å; F119-L198 PolarHBondContact N-O 2.82Å; F119-L198 PolarHBondContact O-N 3.38Å; F119-R200 HydrophobicContact CE1-CB 3.83Å
120	E	96.6	Very high	85.4	Confident	107 Å²	107	74.1 Å²	74.1	50%	0.5	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	178.9	-64.2	-175.1	153.1	0	0	110.2	K195 L196 K197	E120-K195 IonicContact OE1-NZ 3.5Å; E120-K195 WeakPolarHBondContact OE2-CE 3.43Å; E120-K195 IonicContact OE2-NZ 3.44Å; E120-K195 PolarHBondContact OE2-NZ 3.46Å; E120-L196 CarbonylContact C-O 3.57Å; E120-L196 WeakPolarHBondContact CA-O 3.35Å; E120-K197 HydrophobicContact CG-CB 4.29Å; E120-K197 HydrophobicContact CG-CG 4.14Å
121	V	97.2	Very high	86.6	Confident	6 Å²	6	74 Å²	74	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.3	178.5	179.8	0	0	0	0	108.8	F119 L123 D158 H160 I161 L196 L198	F119-V121 HydrophobicContact CD2-CG2 3.72Å; F119-V121 HydrophobicContact CE2-CG2 3.7Å; V121-L123 HydrophobicContact CG1-CD2 3.71Å; V121-L123 HydrophobicContact CG1-CG 4.04Å; V121-D158 WeakPolarHBondContact CG1-OD1 3.19Å; V121-H160 HydrophobicContact CG2-CB 3.98Å; V121-I161 HydrophobicContact CB-CD1 4.13Å; V121-I161 HydrophobicContact CB-CG1 4.34Å; V121-I161 HydrophobicContact CG1-CD1 4.03Å; V121-I161 HydrophobicContact CG1-CG1 4.33Å; V121-I161 HydrophobicContact CG2-CD1 4.32Å; V121-I161 HydrophobicContact CG2-CG1 3.98Å; V121-L196 PolarHBondContact N-O 2.75Å; V121-L196 PolarHBondContact O-N 3.42Å; V121-L198 HydrophobicContact CB-CD1 4.25Å; V121-L198 HydrophobicContact CG2-CD1 4Å
122	E	96.9	Very high	87.7	Confident	106 Å²	106	70.3 Å²	70.3	50%	0.495	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.6	173.1	-71.3	-167.7	178.6	0	0	110.6	R193 I194 K195	E122-R193 VanDerWaalsContact OE2-CD 3.31Å; E122-R193 WeakPolarHBondContact OE2-CD 3.3Å; E122-I194 CarbonylContact C-O 3.55Å; E122-I194 WeakPolarHBondContact CA-O 3.49Å; E122-K195 HydrophobicContact CG-CB 4.25Å; E122-K195 HydrophobicContact CG-CG 4.09Å
123	L	96	Very high	89	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.2	175.7	-58.6	-178	0	0	0	110.4	V121 L131 I154 T155 D158 I161 I194 L196	V121-L123 HydrophobicContact CG1-CD2 3.71Å; V121-L123 HydrophobicContact CG1-CG 4.04Å; L123-L131 HydrophobicContact CB-CD2 3.93Å; L123-L131 HydrophobicContact CD1-CD2 3.9Å; L123-I154 HydrophobicContact CB-CG2 4.25Å; L123-I154 HydrophobicContact CD2-CG2 4.33Å; L123-T155 WeakPolarHBondContact CD1-OG1 3.46Å; L123-D158 HydrophobicContact CD2-CB 3.63Å; L123-I161 HydrophobicContact CD1-CD1 4.12Å; L123-I194 PolarHBondContact N-O 2.9Å; L123-I194 PolarHBondContact O-N 3.02Å; L123-L196 HydrophobicContact CD1-CD1 3.8Å; L123-L196 HydrophobicContact CG-CD1 4.37Å
124	N	94.4	Very high	90	Very high	98 Å²	98	63.1 Å²	63.1	52%	0.524	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99.7	176.2	-169.5	26.9	0	0	0	111.5	K126 I154 G192	N124-K126 PolarHBondContact O-N 3.45Å; N124-I154 WeakPolarHBondContact O-CD1 3.31Å; N124-G192 CarbonylContact C-O 3.59Å; N124-G192 WeakPolarHBondContact CA-O 3.44Å; N124-G192 VanDerWaalsContact OD1-C 3.27Å; N124-G192 PolarHBondContact OD1-O 3.16Å
125	K	93	Very high	91	Very high	30 Å²	30	60.8 Å²	60.8	13%	0.13	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	109	-178.2	-171.7	179.7	172.8	-170.1	0	111.2	K129 L131 L187 K188 A190 G192 I194	K125-K129 WeakPolarHBondContact CG-O 3.49Å; K125-L131 HydrophobicContact CB-CD2 4.21Å; K125-L131 HydrophobicContact CD-CG 4.44Å; K125-L187 PolarHBondContact NZ-O 2.94Å; K125-K188 PolarHBondContact NZ-O 2.74Å; K125-A190 VanDerWaalsContact CD-O 3.24Å; K125-A190 WeakPolarHBondContact CD-O 3.46Å; K125-A190 WeakPolarHBondContact CE-O 3.33Å; K125-A190 PolarHBondContact NZ-O 2.81Å; K125-G192 PolarHBondContact N-O 2.76Å; K125-G192 PolarHBondContact O-N 2.77Å; K125-I194 HydrophobicContact CB-CD1 3.71Å; K125-I194 HydrophobicContact CB-CG1 4.46Å; K125-I194 HydrophobicContact CD-CD1 3.69Å; K125-I194 HydrophobicContact CG-CD1 4.38Å
126	K	86.8	Confident	91.6	Very high	135 Å²	135	63.5 Å²	63.5	59%	0.587	37%	0.365	S	S	*	.			trans	-69.7	145.9	175.7	-63.4	-177	-179.9	178.9	0	111.1	N124 G128 K129	N124-K126 PolarHBondContact O-N 3.45Å; K126-G128 PolarHBondContact O-N 3.37Å; K126-K129 HydrophobicContact CB-CB 4.35Å; K126-K129 PolarHBondContact O-N 3.38Å; K126-K129 VanDerWaalsContact O-N 3.1Å
127	P	85.3	Confident	91.6	Very high	135 Å²	135	63.2 Å²	63.2	88%	0.877	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	133.6	173.6	-24.8	33.7	0	0	0	111.6	K129	P127-K129 PolarHBondContact O-N 3.1Å
128	G	83	Confident	90.9	Very high	93 Å²	93	62.8 Å²	62.8	96%	0.959	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-4.1	179.7	0	0	0	0	0	116	K126	K126-G128 PolarHBondContact O-N 3.37Å
129	K	85.7	Confident	89.8	Confident	140 Å²	140	68 Å²	68	61%	0.609	38%	0.38	S	S	*	.			trans	-107.4	144.2	173.8	-66.8	-120.4	178.6	-176.5	0	110.8	K125 K126 P127	K125-K129 WeakPolarHBondContact CG-O 3.49Å; K126-K129 HydrophobicContact CB-CB 4.35Å; K126-K129 PolarHBondContact O-N 3.38Å; K126-K129 VanDerWaalsContact O-N 3.1Å; P127-K129 PolarHBondContact O-N 3.1Å
130	G	90.5	Very high	88.6	Confident	51 Å²	51	70.4 Å²	70.4	53%	0.526	40%	0.395	S	S	.	.			trans	-77.7	173.1	168.5	0	0	0	0	0	111.7	G132 I154	G130-G132 PolarHBondContact O-N 3.11Å; G130-I154 WeakPolarHBondContact O-CD1 3.45Å
131	L	93.8	Very high	87.1	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.068	38%	0.378	C	S	.	.			trans	-65.1	-27.9	171.1	-73.3	171.5	0	0	0	112	L123 K125 L133 I154 T155 L187 I194	L123-L131 HydrophobicContact CB-CD2 3.93Å; L123-L131 HydrophobicContact CD1-CD2 3.9Å; K125-L131 HydrophobicContact CB-CD2 4.21Å; K125-L131 HydrophobicContact CD-CG 4.44Å; L131-L133 HydrophobicContact CB-CD2 4.33Å; L131-L133 HydrophobicContact CB-CG 4.1Å; L131-I154 WeakPolarHBondContact O-CB 3.42Å; L131-I154 PolarHBondContact O-N 3.47Å; L131-I154 VanDerWaalsContact O-N 3.17Å; L131-T155 PolarHBondContact O-N 3.15Å; L131-T155 PolarHBondContact O-OG1 2.82Å; L131-L187 HydrophobicContact CD1-CB 4.48Å; L131-L187 HydrophobicContact CD1-CD2 3.82Å; L131-I194 HydrophobicContact CD1-CD1 4.38Å; L131-I194 HydrophobicContact CD2-CD1 3.95Å; L131-I194 HydrophobicContact CG-CD1 4.44Å
132	G	94	Very high	85.9	Confident	17 Å²	17	68.4 Å²	68.4	18%	0.175	39%	0.389	C	S	.	.	S	Bend	trans	81.6	39.3	-174.6	0	0	0	0	0	112.1	G130 V150	G130-G132 PolarHBondContact O-N 3.11Å; G132-V150 WeakPolarHBondContact O-CB 3.18Å; G132-V150 PolarHBondContact O-N 2.81Å
133	L	95.1	Very high	85.4	Confident	31 Å²	31	63.5 Å²	63.5	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.6	171.1	62.2	79.2	0	0	0	109.6	L131 I135 I146 E148 T155 L196	L131-L133 HydrophobicContact CB-CD2 4.33Å; L131-L133 HydrophobicContact CB-CG 4.1Å; L133-I135 HydrophobicContact CD1-CG2 3.6Å; L133-I146 HydrophobicContact CD1-CD1 4.21Å; L133-I146 HydrophobicContact CD2-CD1 4.25Å; L133-E148 CarbonylContact C-O 3.54Å; L133-E148 VanDerWaalsContact CA-O 3.29Å; L133-E148 WeakPolarHBondContact CA-O 3.49Å; L133-T155 HydrophobicContact CB-CG2 4.17Å; L133-T155 HydrophobicContact CD2-CG2 4.06Å; L133-T155 WeakPolarHBondContact CD2-OG1 3.5Å; L133-L196 HydrophobicContact CD2-CD1 4.5Å
134	S	94.3	Very high	85.2	Confident	50 Å²	50	63.3 Å²	63.3	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.1	171.2	-168.4	0	0	0	0	109.4	A147 E148	S134-A147 PolarHBondContact O-N 3.18Å; S134-E148 PolarHBondContact N-O 2.78Å
135	I	94.3	Very high	85.1	Confident	20 Å²	20	60.1 Å²	60.1	10%	0.103	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.2	174.9	63.4	162.3	0	0	0	110.5	L133 I144 F145 I146 Q180 A183 A184 L187	L133-I135 HydrophobicContact CD1-CG2 3.6Å; I135-I144 HydrophobicContact CB-CG2 3.88Å; I135-I144 HydrophobicContact CD1-CG2 3.8Å; I135-I144 HydrophobicContact CG1-CG2 4.44Å; I135-I144 HydrophobicContact CG2-CG2 4.1Å; I135-F145 CarbonylContact C-O 3.45Å; I135-F145 VanDerWaalsContact CA-O 3.31Å; I135-F145 WeakPolarHBondContact CA-O 3.4Å; I135-I146 HydrophobicContact CG2-CD1 4.05Å; I135-Q180 PolarHBondContact O-NE2 2.96Å; I135-A183 HydrophobicContact CD1-CB 4Å; I135-A184 HydrophobicContact CD1-CB 4.08Å; I135-L187 HydrophobicContact CD1-CD1 3.99Å; I135-L187 HydrophobicContact CG2-CD1 3.96Å
136	V	90	Very high	85.1	Confident	65 Å²	65	58.9 Å²	58.9	39%	0.394	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	167.6	-70.6	0	0	0	0	108.2	F145 A147	V136-F145 HydrophobicContact CG2-CB 4.12Å; V136-F145 PolarHBondContact N-O 2.78Å; V136-F145 PolarHBondContact O-N 2.95Å; V136-A147 HydrophobicContact CB-CB 4.35Å; V136-A147 HydrophobicContact CG1-CB 3.64Å; V136-A147 HydrophobicContact CG2-CB 3.94Å
137	G	84	Confident	85.3	Confident	14 Å²	14	54.5 Å²	54.5	14%	0.144	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	167.7	158.2	0	0	0	0	0	108.6	Q180	G137-Q180 VanDerWaalsContact N-CD 3.3Å; G137-Q180 VanDerWaalsContact N-OE1 3.11Å
138	R	72.6	Confident	85.7	Confident	75 Å²	75	53.4 Å²	53.4	28%	0.283	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.8	173.8	-62.6	177.6	-159	-178.6	6.7	108.5	Y51 D140 E141 F145	Y51-R138 PolarHBondContact OH-NH1 2.88Å; R138-D140 PolarHBondContact O-N 2.82Å; R138-E141 HydrophobicContact CB-CB 3.7Å; R138-E141 PolarHBondContact O-N 2.92Å; R138-F145 VanDerWaalsContact NH2-CE2 3.29Å
139	K	68	Low	86.2	Confident	188 Å²	188	50.6 Å²	50.6	82%	0.817	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	120.2	-178.7	-168.5	-177.3	176.8	-176.6	0	108.3	E141	K139-E141 PolarHBondContact O-N 3.11Å
140	D	68.8	Low	86.6	Confident	100 Å²	100	46.9 Å²	46.9	54%	0.535	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.8	-179.2	-53	-52	0	0	0	115.4	R138	R138-D140 PolarHBondContact O-N 2.82Å
141	E	66.3	Low	86.6	Confident	29 Å²	29	53.1 Å²	53.1	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.4	-175.8	-70	-72.1	171.6	0	0	111.4	R138 K139	R138-E141 HydrophobicContact CB-CB 3.7Å; R138-E141 PolarHBondContact O-N 2.92Å; K139-E141 PolarHBondContact O-N 3.11Å
142	P	72.2	Confident	86.5	Confident	43 Å²	43	55.8 Å²	55.8	28%	0.279	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	157.7	175.6	29	-31.9	0	0	0	112.2	S178 Y179	P142-S178 WeakPolarHBondContact CA-O 3.38Å; P142-Y179 HydrophobicContact CB-CE2 4.34Å
143	G	84.5	Confident	86.5	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.8	133.3	177.6	0	0	0	0	0	112.3	S178	G143-S178 PolarHBondContact N-O 2.79Å
144	I	92	Very high	86.4	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.9	-171.2	-51.3	-62.4	0	0	0	108.4	I135 Q166 L167 A183	I135-I144 HydrophobicContact CB-CG2 3.88Å; I135-I144 HydrophobicContact CD1-CG2 3.8Å; I135-I144 HydrophobicContact CG1-CG2 4.44Å; I135-I144 HydrophobicContact CG2-CG2 4.1Å; I144-Q166 CarbonylContact O-C 3.47Å; I144-Q166 WeakPolarHBondContact O-CA 3.41Å; I144-Q166 WeakPolarHBondContact O-CG 3.32Å; I144-L167 HydrophobicContact CB-CB 4.16Å; I144-L167 HydrophobicContact CG2-CB 4.07Å; I144-L167 HydrophobicContact CG2-CD2 4.14Å; I144-L167 PolarHBondContact O-N 2.94Å; I144-A183 HydrophobicContact CB-CB 4.4Å; I144-A183 HydrophobicContact CD1-CB 3.57Å; I144-A183 HydrophobicContact CG1-CB 3.54Å; I144-A183 HydrophobicContact CG2-CB 4.09Å
145	F	92.1	Very high	86.5	Confident	30 Å²	30	53.6 Å²	53.6	13%	0.132	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.5	-177.4	-59.7	-91.9	0	0	0	109.9	I135 V136 R138 A147 D165 Q166	I135-F145 CarbonylContact C-O 3.45Å; I135-F145 VanDerWaalsContact CA-O 3.31Å; I135-F145 WeakPolarHBondContact CA-O 3.4Å; V136-F145 HydrophobicContact CG2-CB 4.12Å; V136-F145 PolarHBondContact N-O 2.78Å; V136-F145 PolarHBondContact O-N 2.95Å; R138-F145 VanDerWaalsContact NH2-CE2 3.29Å; F145-A147 PolarHBondContact O-N 3.39Å; F145-D165 CarbonylContact C-O 3.46Å; F145-D165 WeakPolarHBondContact CA-O 3.38Å; F145-Q166 HydrophobicContact CD1-CB 3.95Å; F145-Q166 HydrophobicContact CD1-CG 4.13Å; F145-Q166 HydrophobicContact CE1-CB 3.67Å; F145-Q166 HydrophobicContact CE1-CG 3.61Å; F145-Q166 HydrophobicContact CZ-CB 4.39Å; F145-Q166 HydrophobicContact CZ-CG 3.82Å
146	I	94.3	Very high	86.6	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.3	170.8	-53.8	-53.1	0	0	0	107.6	L133 I135 V149 I161 M162 A163 G164 D165 L198	L133-I146 HydrophobicContact CD1-CD1 4.21Å; L133-I146 HydrophobicContact CD2-CD1 4.25Å; I135-I146 HydrophobicContact CG2-CD1 4.05Å; I146-V149 HydrophobicContact CG2-CG2 4.14Å; I146-I161 HydrophobicContact CD1-CG2 4.47Å; I146-I161 HydrophobicContact CG1-CG2 3.94Å; I146-I161 HydrophobicContact CG2-CG2 4.27Å; I146-M162 WeakPolarHBondContact CB-O 3.48Å; I146-M162 WeakPolarHBondContact CG2-O 3.45Å; I146-A163 WeakPolarHBondContact O-CA 3.35Å; I146-G164 PolarHBondContact O-N 3.14Å; I146-D165 HydrophobicContact CB-CB 4.38Å; I146-D165 HydrophobicContact CG1-CB 3.9Å; I146-D165 PolarHBondContact N-O 2.88Å; I146-L198 HydrophobicContact CG1-CD2 4.21Å
147	A	91.3	Very high	86.7	Confident	44 Å²	44	58 Å²	58	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-38.5	174.9	0	0	0	0	0	111.7	S134 V136 F145	S134-A147 PolarHBondContact O-N 3.18Å; V136-A147 HydrophobicContact CB-CB 4.35Å; V136-A147 HydrophobicContact CG1-CB 3.64Å; V136-A147 HydrophobicContact CG2-CB 3.94Å; F145-A147 PolarHBondContact O-N 3.39Å
148	E	92.4	Very high	87.3	Confident	112 Å²	112	59.7 Å²	59.7	52%	0.523	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	145.7	-173.5	-171.2	-175.2	169.5	0	0	110.4	L133 S134	L133-E148 CarbonylContact C-O 3.54Å; L133-E148 VanDerWaalsContact CA-O 3.29Å; L133-E148 WeakPolarHBondContact CA-O 3.49Å; S134-E148 PolarHBondContact N-O 2.78Å
149	V	93.5	Very high	88.3	Confident	34 Å²	34	58.3 Å²	58.3	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.2	165.5	177.6	0	0	0	0	107.9	I146 T155 E156 I161	I146-V149 HydrophobicContact CG2-CG2 4.14Å; V149-T155 HydrophobicContact CG1-CG2 3.79Å; V149-T155 HydrophobicContact CG2-CG2 4Å; V149-E156 HydrophobicContact CG1-CB 3.8Å; V149-E156 HydrophobicContact CG1-CG 4.47Å; V149-I161 HydrophobicContact CG2-CG2 4.36Å
150	V	94	Very high	89.6	Confident	62 Å²	62	54.8 Å²	54.8	38%	0.376	33%	0.327	S	S	.	.			trans	-81.8	130	-171.2	179.3	0	0	0	0	110.5	G132 G152 G153	G132-V150 WeakPolarHBondContact O-CB 3.18Å; G132-V150 PolarHBondContact O-N 2.81Å; V150-G152 PolarHBondContact O-N 2.93Å; V150-G153 WeakPolarHBondContact O-CA 3.34Å; V150-G153 PolarHBondContact O-N 2.68Å
151	K	92.1	Very high	90.9	Very high	182 Å²	182	50.3 Å²	50.3	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	132.8	177.4	-170.3	171	-177.1	175.4	0	113	G153 E156	K151-G153 PolarHBondContact O-N 2.79Å; K151-E156 WeakPolarHBondContact CA-OE1 2.77Å; K151-E156 WeakPolarHBondContact CA-OE2 3.38Å
152	G	91.4	Very high	92.1	Very high	68 Å²	68	53.9 Å²	53.9	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	8.3	-173.8	0	0	0	0	0	114.3	V150 E156	V150-G152 PolarHBondContact O-N 2.93Å; G152-E156 PolarHBondContact N-OE2 3.4Å
153	G	92.7	Very high	93	Very high	14 Å²	14	54.9 Å²	54.9	14%	0.144	33%	0.332	C	S	.	.	S	Bend	trans	-77.6	168.5	177.4	0	0	0	0	0	113.4	V150 K151 T155 E156 A157	V150-G153 WeakPolarHBondContact O-CA 3.34Å; V150-G153 PolarHBondContact O-N 2.68Å; K151-G153 PolarHBondContact O-N 2.79Å; G153-T155 VanDerWaalsContact C-N 3.32Å; G153-E156 PolarHBondContact O-N 2.87Å; G153-A157 WeakPolarHBondContact O-CB 3.34Å; G153-A157 PolarHBondContact O-N 2.86Å; G153-A157 VanDerWaalsContact O-N 3.11Å
154	I	94.3	Very high	93	Very high	39 Å²	39	57.2 Å²	57.2	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-67.2	-40	176.1	-60.4	166.3	0	0	0	109.7	L123 N124 G130 L131 A157 D158	L123-I154 HydrophobicContact CB-CG2 4.25Å; L123-I154 HydrophobicContact CD2-CG2 4.33Å; N124-I154 WeakPolarHBondContact O-CD1 3.31Å; G130-I154 WeakPolarHBondContact O-CD1 3.45Å; L131-I154 WeakPolarHBondContact O-CB 3.42Å; L131-I154 PolarHBondContact O-N 3.47Å; L131-I154 VanDerWaalsContact O-N 3.17Å; I154-A157 PolarHBondContact O-N 2.84Å; I154-D158 PolarHBondContact O-N 3.34Å; I154-D158 VanDerWaalsContact O-N 3.1Å
155	T	95.8	Very high	93.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-41.8	176.4	-56.9	0	0	0	0	112.7	L123 L131 L133 V149 G153 D158 G159 I161	L123-T155 WeakPolarHBondContact CD1-OG1 3.46Å; L131-T155 PolarHBondContact O-N 3.15Å; L131-T155 PolarHBondContact O-OG1 2.82Å; L133-T155 HydrophobicContact CB-CG2 4.17Å; L133-T155 HydrophobicContact CD2-CG2 4.06Å; L133-T155 WeakPolarHBondContact CD2-OG1 3.5Å; V149-T155 HydrophobicContact CG1-CG2 3.79Å; V149-T155 HydrophobicContact CG2-CG2 4Å; G153-T155 VanDerWaalsContact C-N 3.32Å; T155-D158 PolarHBondContact O-N 2.84Å; T155-G159 PolarHBondContact O-N 2.85Å; T155-G159 VanDerWaalsContact O-N 3.15Å; T155-I161 HydrophobicContact CG2-CB 3.67Å; T155-I161 HydrophobicContact CG2-CD1 4.04Å; T155-I161 HydrophobicContact CG2-CG1 4.36Å; T155-I161 HydrophobicContact CG2-CG2 3.92Å
156	E	95.6	Very high	93.1	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-41.5	175.9	-169.3	-171	-122.2	0	0	111.4	V149 K151 G152 G153 D158 G159	V149-E156 HydrophobicContact CG1-CB 3.8Å; V149-E156 HydrophobicContact CG1-CG 4.47Å; K151-E156 WeakPolarHBondContact CA-OE1 2.77Å; K151-E156 WeakPolarHBondContact CA-OE2 3.38Å; G152-E156 PolarHBondContact N-OE2 3.4Å; G153-E156 PolarHBondContact O-N 2.87Å; E156-D158 VanDerWaalsContact C-N 3.28Å; E156-D158 PolarHBondContact O-N 3.18Å; E156-G159 WeakPolarHBondContact O-CA 3.19Å; E156-G159 PolarHBondContact O-N 3.42Å; E156-G159 VanDerWaalsContact O-N 3.15Å
157	A	93.5	Very high	93.1	Very high	91 Å²	91	57.3 Å²	57.3	75%	0.752	36%	0.357	S	S	*	.	H	α-helix	trans	-65.4	-29.7	179.9	0	0	0	0	0	113.4	G153 I154	G153-A157 WeakPolarHBondContact O-CB 3.34Å; G153-A157 PolarHBondContact O-N 2.86Å; G153-A157 VanDerWaalsContact O-N 3.11Å; I154-A157 PolarHBondContact O-N 2.84Å
158	D	95.1	Very high	93.2	Very high	51 Å²	51	56.3 Å²	56.3	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-71.8	-41.3	171.1	174	-95	0	0	0	111.8	V121 L123 I154 T155 E156 H160	V121-D158 WeakPolarHBondContact CG1-OD1 3.19Å; L123-D158 HydrophobicContact CD2-CB 3.63Å; I154-D158 PolarHBondContact O-N 3.34Å; I154-D158 VanDerWaalsContact O-N 3.1Å; T155-D158 PolarHBondContact O-N 2.84Å; E156-D158 VanDerWaalsContact C-N 3.28Å; E156-D158 PolarHBondContact O-N 3.18Å; D158-H160 VanDerWaalsContact C-N 3.29Å; D158-H160 VanDerWaalsContact CG-ND1 3.31Å; D158-H160 PolarHBondContact O-N 3.29Å; D158-H160 PolarHBondContact O-ND1 3.15Å; D158-H160 WeakPolarHBondContact OD1-CB 3.44Å; D158-H160 IonicContact OD1-CG 2.77Å; D158-H160 PolarHBondContact OD1-N 2.85Å; D158-H160 IonicContact OD1-ND1 3.33Å; D158-H160 PolarHBondContact OD1-ND1 3.27Å; D158-H160 IonicContact OD2-CE1 3.73Å; D158-H160 IonicContact OD2-ND1 2.8Å; D158-H160 PolarHBondContact OD2-ND1 3.04Å
159	G	94.4	Very high	93.4	Very high	46 Å²	46	51.4 Å²	51.4	47%	0.474	33%	0.325	S	S	.	.			trans	79.9	-5.7	170.1	0	0	0	0	0	116.1	T155 E156	T155-G159 PolarHBondContact O-N 2.85Å; T155-G159 VanDerWaalsContact O-N 3.15Å; E156-G159 WeakPolarHBondContact O-CA 3.19Å; E156-G159 PolarHBondContact O-N 3.42Å; E156-G159 VanDerWaalsContact O-N 3.15Å
160	H	95.1	Very high	93.5	Very high	113 Å²	113	50 Å²	50	52%	0.523	32%	0.316	S	S	.	.			trans	-83.3	-33.2	-179.6	-59.5	105.6	0	0	0	113.5	V121 D158 R200	V121-H160 HydrophobicContact CG2-CB 3.98Å; D158-H160 VanDerWaalsContact C-N 3.29Å; D158-H160 VanDerWaalsContact CG-ND1 3.31Å; D158-H160 PolarHBondContact O-N 3.29Å; D158-H160 PolarHBondContact O-ND1 3.15Å; D158-H160 WeakPolarHBondContact OD1-CB 3.44Å; D158-H160 IonicContact OD1-CG 2.77Å; D158-H160 PolarHBondContact OD1-N 2.85Å; D158-H160 IonicContact OD1-ND1 3.33Å; D158-H160 PolarHBondContact OD1-ND1 3.27Å; D158-H160 IonicContact OD2-CE1 3.73Å; D158-H160 IonicContact OD2-ND1 2.8Å; D158-H160 PolarHBondContact OD2-ND1 3.04Å; H160-R200 PolarHBondContact O-NH2 2.84Å
161	I	95.8	Very high	93.6	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.036	32%	0.317	C	S	.	.			trans	-84.9	137.4	-176	-60.8	174.1	0	0	0	109.8	V121 L123 I146 V149 T155 L196 L198	V121-I161 HydrophobicContact CB-CD1 4.13Å; V121-I161 HydrophobicContact CB-CG1 4.34Å; V121-I161 HydrophobicContact CG1-CD1 4.03Å; V121-I161 HydrophobicContact CG1-CG1 4.33Å; V121-I161 HydrophobicContact CG2-CD1 4.32Å; V121-I161 HydrophobicContact CG2-CG1 3.98Å; L123-I161 HydrophobicContact CD1-CD1 4.12Å; I146-I161 HydrophobicContact CD1-CG2 4.47Å; I146-I161 HydrophobicContact CG1-CG2 3.94Å; I146-I161 HydrophobicContact CG2-CG2 4.27Å; V149-I161 HydrophobicContact CG2-CG2 4.36Å; T155-I161 HydrophobicContact CG2-CB 3.67Å; T155-I161 HydrophobicContact CG2-CD1 4.04Å; T155-I161 HydrophobicContact CG2-CG1 4.36Å; T155-I161 HydrophobicContact CG2-CG2 3.92Å; I161-L196 HydrophobicContact CD1-CD1 3.75Å; I161-L198 HydrophobicContact CD1-CD1 4.07Å; I161-L198 HydrophobicContact CD1-CD2 4.19Å; I161-L198 HydrophobicContact CG1-CD1 4.08Å; I161-L198 HydrophobicContact CG1-CD2 4.01Å; I161-L198 HydrophobicContact CG2-CD2 3.92Å
162	M	92.5	Very high	93.7	Very high	104 Å²	104	45.3 Å²	45.3	51%	0.512	32%	0.315	S	S	.	.			trans	-130.1	160.9	-179.2	-66.1	179.6	159.3	0	0	111.2	I146 D165	I146-M162 WeakPolarHBondContact CB-O 3.48Å; I146-M162 WeakPolarHBondContact CG2-O 3.45Å; M162-D165 PolarHBondContact N-OD2 3.11Å; M162-D165 WeakPolarHBondContact O-CB 3.4Å; M162-D165 VanDerWaalsContact O-CG 3.28Å; M162-D165 PolarHBondContact O-N 3.15Å
163	A	89.5	Confident	93.8	Very high	63 Å²	63	46.3 Å²	46.3	52%	0.521	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	142.2	167.4	0	0	0	0	0	110	I146	I146-A163 WeakPolarHBondContact O-CA 3.35Å
164	G	86.4	Confident	93.8	Very high	53 Å²	53	50.4 Å²	50.4	55%	0.546	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-19	-175.2	0	0	0	0	0	114.5	I146 Q166	I146-G164 PolarHBondContact O-N 3.14Å; G164-Q166 PolarHBondContact O-N 3.35Å
165	D	92.2	Very high	93.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.011	31%	0.313	C	S	.	.			trans	-60	137.1	175.4	-69.4	-16.9	0	0	0	111	F145 I146 M162 L198 R200	F145-D165 CarbonylContact C-O 3.46Å; F145-D165 WeakPolarHBondContact CA-O 3.38Å; I146-D165 HydrophobicContact CB-CB 4.38Å; I146-D165 HydrophobicContact CG1-CB 3.9Å; I146-D165 PolarHBondContact N-O 2.88Å; M162-D165 PolarHBondContact N-OD2 3.11Å; M162-D165 WeakPolarHBondContact O-CB 3.4Å; M162-D165 VanDerWaalsContact O-CG 3.28Å; M162-D165 PolarHBondContact O-N 3.15Å; D165-L198 HydrophobicContact CB-CD2 3.83Å; D165-R200 VanDerWaalsContact CG-NH2 3.3Å; D165-R200 WeakPolarHBondContact OD1-CB 3.43Å; D165-R200 IonicContact OD1-CZ 2.78Å; D165-R200 IonicContact OD1-NE 3.34Å; D165-R200 PolarHBondContact OD1-NE 2.99Å; D165-R200 IonicContact OD1-NH2 3.84Å; D165-R200 PolarHBondContact OD1-NH2 3.28Å; D165-R200 VanDerWaalsContact OD1-NH2 3.1Å; D165-R200 IonicContact OD2-CZ 3.81Å; D165-R200 IonicContact OD2-NE 3.43Å; D165-R200 IonicContact OD2-NH2 2.68Å; D165-R200 PolarHBondContact OD2-NH2 2.85Å
166	Q	92.5	Very high	93.3	Very high	31 Å²	31	51 Å²	51	15%	0.145	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.4	171.4	-169.8	174.9	1.1	0	0	109.7	I144 F145 G164 L168 L198 G199	I144-Q166 CarbonylContact O-C 3.47Å; I144-Q166 WeakPolarHBondContact O-CA 3.41Å; I144-Q166 WeakPolarHBondContact O-CG 3.32Å; F145-Q166 HydrophobicContact CD1-CB 3.95Å; F145-Q166 HydrophobicContact CD1-CG 4.13Å; F145-Q166 HydrophobicContact CE1-CB 3.67Å; F145-Q166 HydrophobicContact CE1-CG 3.61Å; F145-Q166 HydrophobicContact CZ-CB 4.39Å; F145-Q166 HydrophobicContact CZ-CG 3.82Å; G164-Q166 PolarHBondContact O-N 3.35Å; Q166-L168 HydrophobicContact CB-CD2 4.35Å; Q166-L168 HydrophobicContact CG-CD2 3.89Å; Q166-L168 PolarHBondContact O-N 3.09Å; Q166-L198 CarbonylContact O-C 3.55Å; Q166-L198 WeakPolarHBondContact O-CA 3.36Å; Q166-G199 PolarHBondContact N-O 2.83Å; Q166-G199 PolarHBondContact O-N 3.43Å
167	L	94.8	Very high	92.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.1	172.8	-175.8	66.1	0	0	0	109.5	I144 V170 L175 L187 L196 L198	I144-L167 HydrophobicContact CB-CB 4.16Å; I144-L167 HydrophobicContact CG2-CB 4.07Å; I144-L167 HydrophobicContact CG2-CD2 4.14Å; I144-L167 PolarHBondContact O-N 2.94Å; L167-V170 HydrophobicContact CD1-CG2 4.21Å; L167-V170 HydrophobicContact CD2-CG2 3.85Å; L167-V170 HydrophobicContact CG-CG2 4.29Å; L167-L175 HydrophobicContact CD2-CD1 3.59Å; L167-L175 HydrophobicContact CG-CD1 3.85Å; L167-L187 HydrophobicContact CD2-CD1 3.84Å; L167-L187 HydrophobicContact CD2-CD2 4.28Å; L167-L187 HydrophobicContact CD2-CG 4.39Å; L167-L196 HydrophobicContact CD1-CB 4.19Å; L167-L196 HydrophobicContact CD1-CD2 4.11Å; L167-L198 HydrophobicContact CD1-CG 4.31Å
168	L	94	Very high	92.5	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.12	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-33.9	-175.3	-57	176.3	0	0	0	112.4	I118 Q166 L175 T176 K197	I118-L168 HydrophobicContact CD1-CD1 4.42Å; I118-L168 HydrophobicContact CG1-CD1 4.2Å; I118-L168 HydrophobicContact CG2-CD1 4.23Å; Q166-L168 HydrophobicContact CB-CD2 4.35Å; Q166-L168 HydrophobicContact CG-CD2 3.89Å; Q166-L168 PolarHBondContact O-N 3.09Å; L168-L175 PolarHBondContact O-N 3.33Å; L168-T176 HydrophobicContact CB-CG2 4.41Å; L168-T176 HydrophobicContact CD2-CG2 3.9Å; L168-K197 WeakPolarHBondContact CA-O 3.33Å; L168-K197 HydrophobicContact CB-CB 4.49Å; L168-K197 HydrophobicContact CB-CG 4.36Å; L168-K197 WeakPolarHBondContact CB-O 3.2Å; L168-K197 PolarHBondContact N-O 3.32Å
169	A	95.5	Very high	92.2	Very high	10 Å²	10	51.5 Å²	51.5	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.7	176.9	0	0	0	0	0	113.2	N173 L196 K197	A169-N173 CarbonylContact C-O 3.43Å; A169-N173 WeakPolarHBondContact CA-O 3.15Å; A169-N173 WeakPolarHBondContact CB-O 3.43Å; A169-L196 WeakPolarHBondContact O-CA 3.48Å; A169-K197 HydrophobicContact CB-CB 3.84Å; A169-K197 PolarHBondContact N-O 2.83Å; A169-K197 VanDerWaalsContact N-O 3.14Å; A169-K197 PolarHBondContact O-N 2.88Å
170	V	96.3	Very high	92	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.8	172.4	177	0	0	0	0	109.5	L167 G172 N173 L175 L187 I194 L196	L167-V170 HydrophobicContact CD1-CG2 4.21Å; L167-V170 HydrophobicContact CD2-CG2 3.85Å; L167-V170 HydrophobicContact CG-CG2 4.29Å; V170-G172 PolarHBondContact O-N 2.71Å; V170-N173 PolarHBondContact N-O 3.32Å; V170-N173 WeakPolarHBondContact O-CB 3.01Å; V170-N173 PolarHBondContact O-N 2.86Å; V170-N173 PolarHBondContact O-ND2 3.17Å; V170-L175 HydrophobicContact CB-CD1 4.21Å; V170-L175 HydrophobicContact CG2-CD1 3.46Å; V170-L175 VanDerWaalsContact CG2-CD1 3.46Å; V170-L187 HydrophobicContact CG1-CD2 4.15Å; V170-L187 HydrophobicContact CG2-CD2 3.56Å; V170-L187 HydrophobicContact CG2-CG 4.17Å; V170-I194 HydrophobicContact CG1-CG2 4.06Å; V170-L196 HydrophobicContact CB-CD2 4.38Å; V170-L196 HydrophobicContact CG1-CD2 4.23Å; V170-L196 HydrophobicContact CG2-CD2 3.72Å
171	N	95.1	Very high	91.8	Very high	76 Å²	76	55.1 Å²	55.1	41%	0.406	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.3	-176.2	-67.1	-16.3	0	0	0	112.6	N173 I194 K195	N171-N173 PolarHBondContact O-N 3.13Å; N171-I194 WeakPolarHBondContact OD1-CA 3.31Å; N171-K195 PolarHBondContact N-O 2.9Å; N171-K195 PolarHBondContact OD1-N 3.18Å
172	G	94.3	Very high	91.5	Very high	71 Å²	71	57.8 Å²	57.8	73%	0.732	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-8.4	-177.9	0	0	0	0	0	115.1	V170 D174	V170-G172 PolarHBondContact O-N 2.71Å; G172-D174 PolarHBondContact O-N 3.25Å
173	N	94.5	Very high	91.5	Very high	89 Å²	89	52.8 Å²	52.8	48%	0.476	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.6	174	-57.6	-60.1	0	0	0	110.2	A169 V170 N171 M186	A169-N173 CarbonylContact C-O 3.43Å; A169-N173 WeakPolarHBondContact CA-O 3.15Å; A169-N173 WeakPolarHBondContact CB-O 3.43Å; V170-N173 PolarHBondContact N-O 3.32Å; V170-N173 WeakPolarHBondContact O-CB 3.01Å; V170-N173 PolarHBondContact O-N 2.86Å; V170-N173 PolarHBondContact O-ND2 3.17Å; N171-N173 PolarHBondContact O-N 3.13Å; N173-M186 HydrophobicContact CB-CE 3.29Å; N173-M186 WeakPolarHBondContact ND2-CE 3.47Å
174	D	93.7	Very high	91.7	Very high	99 Å²	99	50.7 Å²	50.7	53%	0.529	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.3	178.3	-176.2	18.8	0	0	0	111.5	G172 T176	G172-D174 PolarHBondContact O-N 3.25Å; D174-T176 VanDerWaalsContact CG-OG1 3.24Å; D174-T176 WeakPolarHBondContact OD1-CB 3.28Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.27Å; D174-T176 PolarHBondContact OD1-N 2.77Å; D174-T176 PolarHBondContact OD1-OG1 3.45Å; D174-T176 PolarHBondContact OD2-OG1 2.84Å
175	L	92.2	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.			trans	-119.2	2.2	178.1	-67.8	-179	0	0	0	112.6	L167 L168 V170 K177 S178 A183 M186	L167-L175 HydrophobicContact CD2-CD1 3.59Å; L167-L175 HydrophobicContact CG-CD1 3.85Å; L168-L175 PolarHBondContact O-N 3.33Å; V170-L175 HydrophobicContact CB-CD1 4.21Å; V170-L175 HydrophobicContact CG2-CD1 3.46Å; V170-L175 VanDerWaalsContact CG2-CD1 3.46Å; L175-K177 PolarHBondContact O-N 2.86Å; L175-K177 VanDerWaalsContact O-N 3.11Å; L175-S178 WeakPolarHBondContact CD2-OG 3.32Å; L175-S178 WeakPolarHBondContact O-CB 3.47Å; L175-S178 PolarHBondContact O-N 2.95Å; L175-A183 HydrophobicContact CD1-CB 4.09Å; L175-A183 HydrophobicContact CD2-CB 4.16Å; L175-M186 HydrophobicContact CD2-SD 3.7Å
176	T	86.9	Confident	92	Very high	52 Å²	52	54.1 Å²	54.1	32%	0.319	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.9	-178.5	55.9	0	0	0	0	113	L168 D174	L168-T176 HydrophobicContact CB-CG2 4.41Å; L168-T176 HydrophobicContact CD2-CG2 3.9Å; D174-T176 VanDerWaalsContact CG-OG1 3.24Å; D174-T176 WeakPolarHBondContact OD1-CB 3.28Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.27Å; D174-T176 PolarHBondContact OD1-N 2.77Å; D174-T176 PolarHBondContact OD1-OG1 3.45Å; D174-T176 PolarHBondContact OD2-OG1 2.84Å
177	K	84.9	Confident	92	Very high	172 Å²	172	53.3 Å²	53.3	75%	0.748	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	8.7	177.7	-60.8	-172.5	-178.8	-176.6	0	113.8	L175	L175-K177 PolarHBondContact O-N 2.86Å; L175-K177 VanDerWaalsContact O-N 3.11Å
178	S	86.9	Confident	91.8	Very high	8 Å²	8	60.8 Å²	60.8	6%	0.056	32%	0.321	C	S	.	.			trans	-87.7	155.1	-177.6	-67.8	0	0	0	0	112.2	P142 G143 L175 E182	P142-S178 WeakPolarHBondContact CA-O 3.38Å; G143-S178 PolarHBondContact N-O 2.79Å; L175-S178 WeakPolarHBondContact CD2-OG 3.32Å; L175-S178 WeakPolarHBondContact O-CB 3.47Å; L175-S178 PolarHBondContact O-N 2.95Å; S178-E182 WeakPolarHBondContact CB-OE2 3.36Å; S178-E182 PolarHBondContact OG-OE2 3.19Å
179	Y	89.4	Confident	91.6	Very high	58 Å²	58	64.4 Å²	64.4	23%	0.227	34%	0.344	C	S	.	.			trans	-100.5	163.3	177.6	-70.1	-108.5	0	0	0	110.3	P142 E181 E182 A183 R319	P142-Y179 HydrophobicContact CB-CE2 4.34Å; Y179-E181 VanDerWaalsContact C-N 3.3Å; Y179-E181 PolarHBondContact O-N 3.01Å; Y179-E182 PolarHBondContact O-N 3.41Å; Y179-E182 VanDerWaalsContact O-N 3.14Å; Y179-A183 PolarHBondContact O-N 2.85Å; Y179-A183 VanDerWaalsContact O-N 3.12Å; Y179-R319 PolarHBondContact OH-NE 2.83Å
180	Q	90.4	Very high	91.4	Very high	83 Å²	83	64.4 Å²	64.4	39%	0.388	35%	0.345	S	S	.	.	H	α-helix	trans	-52.4	-44.2	-172.5	-167.5	172.9	-15.3	0	0	113.9	I135 G137 A184	I135-Q180 PolarHBondContact O-NE2 2.96Å; G137-Q180 VanDerWaalsContact N-CD 3.3Å; G137-Q180 VanDerWaalsContact N-OE1 3.11Å; Q180-A184 WeakPolarHBondContact O-CB 3.31Å; Q180-A184 PolarHBondContact O-N 3.44Å
181	E	89.8	Confident	91.2	Very high	152 Å²	152	69.7 Å²	69.7	71%	0.71	38%	0.377	S	S	*	.	H	α-helix	trans	-66.2	-40.2	-177	-65.7	-172.7	168.2	0	0	112.8	Y179 T185	Y179-E181 VanDerWaalsContact C-N 3.3Å; Y179-E181 PolarHBondContact O-N 3.01Å; E181-T185 WeakPolarHBondContact O-CB 3.44Å; E181-T185 PolarHBondContact O-N 3.49Å; E181-T185 PolarHBondContact O-OG1 3.1Å
182	E	90.2	Very high	91.1	Very high	62 Å²	62	67.4 Å²	67.4	29%	0.29	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-51.2	178.4	-178.6	176.3	-156.6	0	0	110.2	S178 Y179 A184 T185 M186	S178-E182 WeakPolarHBondContact CB-OE2 3.36Å; S178-E182 PolarHBondContact OG-OE2 3.19Å; Y179-E182 PolarHBondContact O-N 3.41Å; Y179-E182 VanDerWaalsContact O-N 3.14Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.49Å; E182-T185 WeakPolarHBondContact O-CB 3.49Å; E182-T185 PolarHBondContact O-N 2.72Å; E182-T185 VanDerWaalsContact O-N 3.15Å; E182-M186 HydrophobicContact CG-SD 4.44Å; E182-M186 WeakPolarHBondContact O-CG 3.41Å; E182-M186 PolarHBondContact O-N 2.74Å
183	A	92.9	Very high	91.1	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-41.9	177.5	0	0	0	0	0	112.2	I135 I144 L175 Y179 T185 M186 L187	I135-A183 HydrophobicContact CD1-CB 4Å; I144-A183 HydrophobicContact CB-CB 4.4Å; I144-A183 HydrophobicContact CD1-CB 3.57Å; I144-A183 HydrophobicContact CG1-CB 3.54Å; I144-A183 HydrophobicContact CG2-CB 4.09Å; L175-A183 HydrophobicContact CD1-CB 4.09Å; L175-A183 HydrophobicContact CD2-CB 4.16Å; Y179-A183 PolarHBondContact O-N 2.85Å; Y179-A183 VanDerWaalsContact O-N 3.12Å; A183-T185 VanDerWaalsContact C-N 3.3Å; A183-T185 PolarHBondContact O-N 2.94Å; A183-M186 PolarHBondContact O-N 2.71Å; A183-L187 WeakPolarHBondContact O-CB 3.24Å; A183-L187 WeakPolarHBondContact O-CG 3.48Å; A183-L187 PolarHBondContact O-N 2.71Å
184	A	92.5	Very high	91.2	Very high	19 Å²	19	68.7 Å²	68.7	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-40.4	175.9	0	0	0	0	0	111.4	I135 Q180 E182 K188	I135-A184 HydrophobicContact CD1-CB 4.08Å; Q180-A184 WeakPolarHBondContact O-CB 3.31Å; Q180-A184 PolarHBondContact O-N 3.44Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 3.49Å; A184-K188 VanDerWaalsContact O-CB 3.24Å; A184-K188 WeakPolarHBondContact O-CB 3.28Å; A184-K188 WeakPolarHBondContact O-CD 3.48Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 2.67Å
185	T	91.7	Very high	91.4	Very high	81 Å²	81	67.7 Å²	67.7	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-50.1	176.7	-59.1	0	0	0	0	110	E181 E182 A183 L187 K188 T189	E181-T185 WeakPolarHBondContact O-CB 3.44Å; E181-T185 PolarHBondContact O-N 3.49Å; E181-T185 PolarHBondContact O-OG1 3.1Å; E182-T185 WeakPolarHBondContact O-CB 3.49Å; E182-T185 PolarHBondContact O-N 2.72Å; E182-T185 VanDerWaalsContact O-N 3.15Å; A183-T185 VanDerWaalsContact C-N 3.3Å; A183-T185 PolarHBondContact O-N 2.94Å; T185-L187 PolarHBondContact O-N 3.37Å; T185-K188 PolarHBondContact O-N 3.37Å; T185-K188 VanDerWaalsContact O-N 3.13Å; T185-T189 HydrophobicContact CG2-CG2 4.23Å; T185-T189 WeakPolarHBondContact O-CG2 3.4Å; T185-T189 PolarHBondContact O-N 3.49Å; T185-T189 PolarHBondContact O-OG1 3.15Å
186	M	93	Very high	91.7	Very high	46 Å²	46	67.7 Å²	67.7	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-43.9	179.7	-67.3	-179.8	80.5	0	0	112.8	N173 L175 E182 A183 T189 A190	N173-M186 HydrophobicContact CB-CE 3.29Å; N173-M186 WeakPolarHBondContact ND2-CE 3.47Å; L175-M186 HydrophobicContact CD2-SD 3.7Å; E182-M186 HydrophobicContact CG-SD 4.44Å; E182-M186 WeakPolarHBondContact O-CG 3.41Å; E182-M186 PolarHBondContact O-N 2.74Å; A183-M186 PolarHBondContact O-N 2.71Å; M186-T189 PolarHBondContact O-OG1 3.2Å; M186-A190 VanDerWaalsContact O-CB 3.26Å; M186-A190 WeakPolarHBondContact O-CB 3.26Å; M186-A190 PolarHBondContact O-N 3.47Å
187	L	93.2	Very high	92.1	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-34.2	176.7	-69.4	168.8	0	0	0	112.7	K125 L131 I135 L167 V170 A183 T185 L196	K125-L187 PolarHBondContact NZ-O 2.94Å; L131-L187 HydrophobicContact CD1-CB 4.48Å; L131-L187 HydrophobicContact CD1-CD2 3.82Å; I135-L187 HydrophobicContact CD1-CD1 3.99Å; I135-L187 HydrophobicContact CG2-CD1 3.96Å; L167-L187 HydrophobicContact CD2-CD1 3.84Å; L167-L187 HydrophobicContact CD2-CD2 4.28Å; L167-L187 HydrophobicContact CD2-CG 4.39Å; V170-L187 HydrophobicContact CG1-CD2 4.15Å; V170-L187 HydrophobicContact CG2-CD2 3.56Å; V170-L187 HydrophobicContact CG2-CG 4.17Å; A183-L187 WeakPolarHBondContact O-CB 3.24Å; A183-L187 WeakPolarHBondContact O-CG 3.48Å; A183-L187 PolarHBondContact O-N 2.71Å; T185-L187 PolarHBondContact O-N 3.37Å; L187-L196 HydrophobicContact CD2-CD2 3.87Å
188	K	90.6	Very high	92.6	Very high	158 Å²	158	61 Å²	61	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-72	-41.1	177.6	-77.8	171.5	-175.1	175.6	0	111.9	K125 A184 T185	K125-K188 PolarHBondContact NZ-O 2.74Å; A184-K188 VanDerWaalsContact O-CB 3.24Å; A184-K188 WeakPolarHBondContact O-CB 3.28Å; A184-K188 WeakPolarHBondContact O-CD 3.48Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 2.67Å; T185-K188 PolarHBondContact O-N 3.37Å; T185-K188 VanDerWaalsContact O-N 3.13Å
189	T	90.5	Very high	92.9	Very high	99 Å²	99	60.6 Å²	60.6	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-81.3	-23.8	-178.4	57.1	0	0	0	0	113.3	T185 M186	T185-T189 HydrophobicContact CG2-CG2 4.23Å; T185-T189 WeakPolarHBondContact O-CG2 3.4Å; T185-T189 PolarHBondContact O-N 3.49Å; T185-T189 PolarHBondContact O-OG1 3.15Å; M186-T189 PolarHBondContact O-OG1 3.2Å
190	A	91	Very high	92.9	Very high	11 Å²	11	61 Å²	61	9%	0.091	30%	0.303	C	S	.	.			trans	-61.2	139.8	173.1	0	0	0	0	0	110.8	K125 M186 I194	K125-A190 VanDerWaalsContact CD-O 3.24Å; K125-A190 WeakPolarHBondContact CD-O 3.46Å; K125-A190 WeakPolarHBondContact CE-O 3.33Å; K125-A190 PolarHBondContact NZ-O 2.81Å; M186-A190 VanDerWaalsContact O-CB 3.26Å; M186-A190 WeakPolarHBondContact O-CB 3.26Å; M186-A190 PolarHBondContact O-N 3.47Å; A190-I194 HydrophobicContact CB-CD1 3.51Å; A190-I194 HydrophobicContact CB-CG1 3.87Å
191	T	90.9	Very high	92.4	Very high	114 Å²	114	58.7 Å²	58.7	70%	0.699	29%	0.294	S	S	*	.			trans	-139.6	152.7	-177.8	53.9	0	0	0	0	110.7
192	G	93.2	Very high	91.6	Very high	27 Å²	27	54.2 Å²	54.2	28%	0.278	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	-131.8	-178.5	0	0	0	0	0	111	N124 K125 I194	N124-G192 CarbonylContact C-O 3.59Å; N124-G192 WeakPolarHBondContact CA-O 3.44Å; N124-G192 VanDerWaalsContact OD1-C 3.27Å; N124-G192 PolarHBondContact OD1-O 3.16Å; K125-G192 PolarHBondContact N-O 2.76Å; K125-G192 PolarHBondContact O-N 2.77Å; G192-I194 PolarHBondContact O-N 3.19Å
193	R	95.6	Very high	90.4	Very high	187 Å²	187	54.8 Å²	54.8	71%	0.706	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.9	-177.6	-146.7	-176.7	-57.3	-158.3	2.1	110.6	E122	E122-R193 VanDerWaalsContact OE2-CD 3.31Å; E122-R193 WeakPolarHBondContact OE2-CD 3.3Å
194	I	96.3	Very high	88.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.3	-177.5	-57.6	179.1	0	0	0	108.1	E122 L123 K125 L131 V170 N171 A190 G192 L196	E122-I194 CarbonylContact C-O 3.55Å; E122-I194 WeakPolarHBondContact CA-O 3.49Å; L123-I194 PolarHBondContact N-O 2.9Å; L123-I194 PolarHBondContact O-N 3.02Å; K125-I194 HydrophobicContact CB-CD1 3.71Å; K125-I194 HydrophobicContact CB-CG1 4.46Å; K125-I194 HydrophobicContact CD-CD1 3.69Å; K125-I194 HydrophobicContact CG-CD1 4.38Å; L131-I194 HydrophobicContact CD1-CD1 4.38Å; L131-I194 HydrophobicContact CD2-CD1 3.95Å; L131-I194 HydrophobicContact CG-CD1 4.44Å; V170-I194 HydrophobicContact CG1-CG2 4.06Å; N171-I194 WeakPolarHBondContact OD1-CA 3.31Å; A190-I194 HydrophobicContact CB-CD1 3.51Å; A190-I194 HydrophobicContact CB-CG1 3.87Å; G192-I194 PolarHBondContact O-N 3.19Å; I194-L196 HydrophobicContact CG2-CD2 3.65Å; I194-L196 HydrophobicContact CG2-CG 4.21Å
195	K	97.7	Very high	86	Confident	78 Å²	78	61.1 Å²	61.1	34%	0.339	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.7	177.1	-170.9	171.6	-177.9	-177.3	0	109.5	E120 E122 N171	E120-K195 IonicContact OE1-NZ 3.5Å; E120-K195 WeakPolarHBondContact OE2-CE 3.43Å; E120-K195 IonicContact OE2-NZ 3.44Å; E120-K195 PolarHBondContact OE2-NZ 3.46Å; E122-K195 HydrophobicContact CG-CB 4.25Å; E122-K195 HydrophobicContact CG-CG 4.09Å; N171-K195 PolarHBondContact N-O 2.9Å; N171-K195 PolarHBondContact OD1-N 3.18Å
196	L	97.6	Very high	83.2	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.4	179.5	-56.3	-179.8	0	0	0	108.9	E120 V121 L123 L133 I161 L167 A169 V170 L187 I194 L198	E120-L196 CarbonylContact C-O 3.57Å; E120-L196 WeakPolarHBondContact CA-O 3.35Å; V121-L196 PolarHBondContact N-O 2.75Å; V121-L196 PolarHBondContact O-N 3.42Å; L123-L196 HydrophobicContact CD1-CD1 3.8Å; L123-L196 HydrophobicContact CG-CD1 4.37Å; L133-L196 HydrophobicContact CD2-CD1 4.5Å; I161-L196 HydrophobicContact CD1-CD1 3.75Å; L167-L196 HydrophobicContact CD1-CB 4.19Å; L167-L196 HydrophobicContact CD1-CD2 4.11Å; A169-L196 WeakPolarHBondContact O-CA 3.48Å; V170-L196 HydrophobicContact CB-CD2 4.38Å; V170-L196 HydrophobicContact CG1-CD2 4.23Å; V170-L196 HydrophobicContact CG2-CD2 3.72Å; L187-L196 HydrophobicContact CD2-CD2 3.87Å; I194-L196 HydrophobicContact CG2-CD2 3.65Å; I194-L196 HydrophobicContact CG2-CG 4.21Å; L196-L198 HydrophobicContact CB-CD1 3.76Å
197	K	96.6	Very high	80.3	Confident	82 Å²	82	69.7 Å²	69.7	36%	0.357	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.5	167.8	-170.9	174.2	-178.4	173.8	0	108.1	I118 E120 L168 A169	I118-K197 HydrophobicContact CG2-CD 4.33Å; I118-K197 HydrophobicContact CG2-CG 4.01Å; E120-K197 HydrophobicContact CG-CB 4.29Å; E120-K197 HydrophobicContact CG-CG 4.14Å; L168-K197 WeakPolarHBondContact CA-O 3.33Å; L168-K197 HydrophobicContact CB-CB 4.49Å; L168-K197 HydrophobicContact CB-CG 4.36Å; L168-K197 WeakPolarHBondContact CB-O 3.2Å; L168-K197 PolarHBondContact N-O 3.32Å; A169-K197 HydrophobicContact CB-CB 3.84Å; A169-K197 PolarHBondContact N-O 2.83Å; A169-K197 VanDerWaalsContact N-O 3.14Å; A169-K197 PolarHBondContact O-N 2.88Å
198	L	95.2	Very high	77.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.9	-175.9	-57.8	101.1	0	0	0	111	I118 F119 V121 I146 I161 D165 Q166 L167 L196	I118-L198 VanDerWaalsContact CA-O 3.3Å; I118-L198 WeakPolarHBondContact CA-O 3.31Å; F119-L198 HydrophobicContact CD2-CD1 4.47Å; F119-L198 HydrophobicContact CE1-CB 3.97Å; F119-L198 HydrophobicContact CE2-CB 4.13Å; F119-L198 HydrophobicContact CE2-CD1 4.01Å; F119-L198 HydrophobicContact CZ-CB 3.77Å; F119-L198 HydrophobicContact CZ-CD1 4.42Å; F119-L198 HydrophobicContact CZ-CG 4.49Å; F119-L198 PolarHBondContact N-O 2.82Å; F119-L198 PolarHBondContact O-N 3.38Å; V121-L198 HydrophobicContact CB-CD1 4.25Å; V121-L198 HydrophobicContact CG2-CD1 4Å; I146-L198 HydrophobicContact CG1-CD2 4.21Å; I161-L198 HydrophobicContact CD1-CD1 4.07Å; I161-L198 HydrophobicContact CD1-CD2 4.19Å; I161-L198 HydrophobicContact CG1-CD1 4.08Å; I161-L198 HydrophobicContact CG1-CD2 4.01Å; I161-L198 HydrophobicContact CG2-CD2 3.92Å; D165-L198 HydrophobicContact CB-CD2 3.83Å; Q166-L198 CarbonylContact O-C 3.55Å; Q166-L198 WeakPolarHBondContact O-CA 3.36Å; L167-L198 HydrophobicContact CD1-CG 4.31Å; L196-L198 HydrophobicContact CB-CD1 3.76Å
199	G	92.3	Very high	74.4	Confident	1 Å²	1	75 Å²	75	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.6	168.2	0	0	0	0	0	109.9	D117 Q166	D117-G199 WeakPolarHBondContact O-CA 3.48Å; Q166-G199 PolarHBondContact N-O 2.83Å; Q166-G199 PolarHBondContact O-N 3.43Å
200	R	88.9	Confident	71.6	Confident	65 Å²	65	78.7 Å²	78.7	25%	0.245	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	172.7	177.2	171.8	-63.1	156.4	9.5	109.8	Y116 D117 F119 H160 D165 K202	Y116-R200 CarbonylContact C-O 3.5Å; Y116-R200 WeakPolarHBondContact CA-O 3.48Å; D117-R200 PolarHBondContact N-O 3.45Å; D117-R200 PolarHBondContact O-N 3.36Å; F119-R200 HydrophobicContact CE1-CB 3.83Å; H160-R200 PolarHBondContact O-NH2 2.84Å; D165-R200 VanDerWaalsContact CG-NH2 3.3Å; D165-R200 WeakPolarHBondContact OD1-CB 3.43Å; D165-R200 IonicContact OD1-CZ 2.78Å; D165-R200 IonicContact OD1-NE 3.34Å; D165-R200 PolarHBondContact OD1-NE 2.99Å; D165-R200 IonicContact OD1-NH2 3.84Å; D165-R200 PolarHBondContact OD1-NH2 3.28Å; D165-R200 VanDerWaalsContact OD1-NH2 3.1Å; D165-R200 IonicContact OD2-CZ 3.81Å; D165-R200 IonicContact OD2-NE 3.43Å; D165-R200 IonicContact OD2-NH2 2.68Å; D165-R200 PolarHBondContact OD2-NH2 2.85Å; R200-K202 PolarHBondContact O-N 2.75Å
201	I	80.2	Confident	68.7	Low	36 Å²	36	85.5 Å²	85.5	19%	0.185	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.2	176.2	-63.1	173.9	0	0	0	108.6	Y116 T203	Y116-I201 HydrophobicContact CD1-CG1 4.07Å; Y116-I201 HydrophobicContact CE1-CG1 3.56Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.34Å
202	K	73.8	Confident	66	Low	57 Å²	57	86.3 Å²	86.3	25%	0.248	45%	0.453	C	S	.	.			trans	-65.4	91.4	175.1	-78.6	168.5	170.1	176.2	0	109.9	K113 N114 I115 D117 R200	K113-K202 PolarHBondContact O-NZ 2.88Å; N114-K202 VanDerWaalsContact O-CD 3.24Å; N114-K202 WeakPolarHBondContact O-CD 3.36Å; I115-K202 VanDerWaalsContact O-CB 3.24Å; I115-K202 WeakPolarHBondContact O-CB 3.46Å; I115-K202 VanDerWaalsContact O-CG 3.32Å; I115-K202 WeakPolarHBondContact O-CG 3.37Å; I115-K202 PolarHBondContact O-N 3.35Å; D117-K202 HydrophobicContact CB-CG 4.38Å; D117-K202 WeakPolarHBondContact OD1-CE 3.39Å; D117-K202 WeakPolarHBondContact OD1-CG 3.38Å; D117-K202 IonicContact OD1-NZ 3.1Å; D117-K202 WeakPolarHBondContact OD2-CG 3.49Å; R200-K202 PolarHBondContact O-N 2.75Å
203	T	64.4	Low	63.1	Low	74 Å²	74	88.1 Å²	88.1	45%	0.454	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-78.4	132.4	162.8	58.2	0	0	0	0	107.3	D39 T40 I201 S205	D39-T203 CarbonylContact O-C 3.58Å; T40-T203 HydrophobicContact CG2-CG2 4.43Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.34Å; T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 2.78Å
204	S	51.5	Low	60.3	Low	50 Å²	50	84.8 Å²	84.8	35%	0.35	48%	0.477	S	S	.	.			trans	-67.2	95.1	172.4	55	0	0	0	0	107.2	D39 T40 K206	D39-S204 PolarHBondContact O-N 2.84Å; D39-S204 PolarHBondContact O-OG 3.23Å; T40-S204 PolarHBondContact N-OG 2.64Å; S204-K206 PolarHBondContact O-N 3.39Å
205	S	41.1	Very low	57.4	Low	103 Å²	103	90 Å²	90	72%	0.72	51%	0.514	S	S	*	.			trans	-61	102.4	169.4	60.4	0	0	0	0	107	T203 P207	T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 2.78Å; S205-P207 WeakPolarHBondContact O-CD 3.38Å; S205-P207 VanDerWaalsContact O-N 3.16Å
206	K	32.7	Very low	54.1	Low	193 Å²	193	91.1 Å²	91.1	84%	0.839	53%	0.531	S	S	*	.			trans	-54.2	122.5	155	-75.3	-179.2	-179.5	170.4	0	104.9	S204 A208	S204-K206 PolarHBondContact O-N 3.39Å; K206-A208 PolarHBondContact O-N 2.99Å
207	P	32.6	Very low	51	Low	114 Å²	114	98.8 Å²	98.8	74%	0.74	57%	0.572	S	S	*	*			trans	-58.6	123.9	175.1	24.1	-29.7	0	0	0	105.7	S205 K209	S205-P207 WeakPolarHBondContact O-CD 3.38Å; S205-P207 VanDerWaalsContact O-N 3.16Å; P207-K209 VanDerWaalsContact C-N 3.32Å; P207-K209 PolarHBondContact O-N 3.4Å
208	A	30.6	Very low	47.8	Very low	93 Å²	93	102.8 Å²	102.8	77%	0.769	60%	0.596	S	S	*	*			trans	-52.3	105.4	168.5	0	0	0	0	0	106.2	K206 Q210	K206-A208 PolarHBondContact O-N 2.99Å; A208-Q210 VanDerWaalsContact C-N 3.31Å; A208-Q210 PolarHBondContact O-N 3.45Å
209	K	30.2	Very low	44.8	Very low	190 Å²	190	111.5 Å²	111.5	83%	0.826	64%	0.639	S	S	*	*			trans	-59.1	104.1	169.9	-88.1	-177.2	174.2	-178.8	0	105.4	P207 N211	P207-K209 VanDerWaalsContact C-N 3.32Å; P207-K209 PolarHBondContact O-N 3.4Å; K209-N211 PolarHBondContact O-N 3.41Å
210	Q	31.7	Very low	42	Very low	177 Å²	177	116.5 Å²	116.5	83%	0.827	67%	0.672	S	S	*	*			trans	-61.3	89.3	158.8	-71.5	-176.1	-9.9	0	0	106.4	A208 T212	A208-Q210 VanDerWaalsContact C-N 3.31Å; A208-Q210 PolarHBondContact O-N 3.45Å; Q210-T212 VanDerWaalsContact C-N 3.29Å; Q210-T212 PolarHBondContact O-N 2.99Å; Q210-T212 VanDerWaalsContact O-N 3.12Å
211	N	30.7	Very low	39.2	Very low	154 Å²	154	118.5 Å²	118.5	82%	0.824	69%	0.693	S	S	*	*			trans	-78	90.4	165.3	-117.8	18.9	0	0	0	106.6	K209 G213	K209-N211 PolarHBondContact O-N 3.41Å; N211-G213 PolarHBondContact O-N 3.16Å
212	T	32.5	Very low	37.1	Very low	130 Å²	130	123 Å²	123	80%	0.798	73%	0.725	S	S	*	*			trans	-68.9	118.2	158.7	49.3	0	0	0	0	108.3	Q210	Q210-T212 VanDerWaalsContact C-N 3.29Å; Q210-T212 PolarHBondContact O-N 2.99Å; Q210-T212 VanDerWaalsContact O-N 3.12Å
213	G	32.6	Very low	35	Very low	65 Å²	65	126.1 Å²	126.1	67%	0.67	75%	0.748	S	S	*	*			trans	126.5	97.1	158.4	0	0	0	0	0	116.6	N211	N211-G213 PolarHBondContact O-N 3.16Å
214	S	36.9	Very low	33.4	Very low	117 Å²	117	127.8 Å²	127.8	82%	0.818	76%	0.758	S	S	*	*			trans	91.7	100.4	132.2	-44.8	0	0	0	0	120.3
215	S	35.1	Very low	32.4	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	78%	0.78	S	S	*	*				85.1	110.2	126.3	-54.6	0	0	0	0	121.5
216	S	29.7	Very low	31.6	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	79%	0.788	S	S	*	*			trans	65.3	113.5	137.6	66.7	0	0	0	0	119.8
217	L	32.5	Very low	31.3	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	79%	0.786	S	S	*	*				174.4	114	96.9	-84.2	170.9	0	0	0	111.2
218	L	28.1	Very low	31	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	79%	0.787	S	S	*	*			trans	17.1	110.7	142.2	-157.3	78	0	0	0	119.8
219	M	32	Very low	30.7	Very low	182 Å²	182	139.3 Å²	139.3	90%	0.897	79%	0.789	S	S	*	*			trans	-155.6	146.1	138.4	-73.6	-152	82.4	0	0	111
220	P	34.6	Very low	30.5	Very low	107 Å²	107	137.2 Å²	137.2	70%	0.695	79%	0.786	S	S	*	*			trans	-84.9	165.6	-169.7	35.2	-35.5	0	0	0	114
221	P	30	Very low	30.2	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	78%	0.781	S	S	*	*			trans	-77.3	137.7	-175.1	31.5	-33.1	0	0	0	111.8	T223	P221-T223 PolarHBondContact O-N 3.31Å; P221-T223 VanDerWaalsContact O-N 3.16Å
222	P	36.9	Very low	30	Very low	131 Å²	131	135.7 Å²	135.7	85%	0.851	78%	0.78	S	S	*	*			trans	-73.5	109.3	165	29.2	-27.9	0	0	0	108.2
223	T	29.1	Very low	29.5	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	79%	0.786	S	S	*	*			trans	-73.1	150.1	161.5	-44	0	0	0	0	107.5	P221	P221-T223 PolarHBondContact O-N 3.31Å; P221-T223 VanDerWaalsContact O-N 3.16Å
224	T	30.9	Very low	29.1	Very low	109 Å²	109	141.7 Å²	141.7	67%	0.669	79%	0.79	S	S	*	*			trans	100.2	102.7	166.4	-26.1	0	0	0	0	115.7
225	M	29.4	Very low	28.5	Very low	162 Å²	162	141.1 Å²	141.1	80%	0.798	79%	0.786	S	S	*	*				-164.1	103.6	111.1	-92.5	-71.8	95.4	0	0	110.1
226	M	25.4	Very low	28.1	Very low	180 Å²	180	143.8 Å²	143.8	89%	0.887	79%	0.791	S	S	*	*			trans	-70.6	121.1	158.8	-78.7	-172.9	158.3	0	0	110.1
227	V	26.9	Very low	28	Very low	131 Å²	131	148.3 Å²	148.3	79%	0.794	80%	0.798	S	S	*	*			trans	-174.3	128.7	144	-118.5	0	0	0	0	105.1
228	L	26	Very low	27.7	Very low	146 Å²	146	147.4 Å²	147.4	76%	0.764	80%	0.798	S	S	*	*			cis	-161	112.1	37.2	-178.6	65	0	0	0	108.9
229	Q	23.8	Very low	27.8	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	79%	0.79	S	S	*	*			trans	-69.1	162.2	150.2	-82.2	171.7	-25.9	0	0	108.8
230	I	26.2	Very low	27.7	Very low	146 Å²	146	141.5 Å²	141.5	75%	0.749	79%	0.786	S	S	*	*			trans	91.5	104.5	178.2	-46	154.9	0	0	0	109.4
231	I	25.8	Very low	27.4	Very low	143 Å²	143	143.9 Å²	143.9	73%	0.733	79%	0.791	S	S	*	*	S	Bend		-172.7	125	63.6	-66.3	167.1	0	0	0	104.1
232	I	24.9	Very low	27.5	Very low	155 Å²	155	146.4 Å²	146.4	80%	0.795	80%	0.798	S	S	*	*				-149.8	97.4	69.6	-63.7	168.4	0	0	0	107.7
233	L	22.5	Very low	27.2	Very low	176 Å²	176	145 Å²	145	92%	0.921	79%	0.789	S	S	*	*			trans	-121.7	88.1	154.9	-134.7	125.9	0	0	0	105.5
234	L	24.4	Very low	27.4	Very low	146 Å²	146	149.3 Å²	149.3	76%	0.764	79%	0.792	S	S	*	*			trans	-146.9	103.4	171.3	-102.2	141.2	0	0	0	109
235	S	24.8	Very low	27.4	Very low	104 Å²	104	154.7 Å²	154.7	73%	0.727	80%	0.8	S	S	*	*	S	Bend	trans	77.1	120.1	158.7	-51.1	0	0	0	0	115.4
236	L	26.6	Very low	27.5	Very low	165 Å²	165	155.8 Å²	155.8	86%	0.864	80%	0.803	S	S	*	*			cis	-144.5	138.7	30.5	-73.3	163.6	0	0	0	112.2	V238	L236-V238 PolarHBondContact O-N 2.75Å
237	K	27.2	Very low	28.1	Very low	198 Å²	198	152.4 Å²	152.4	86%	0.861	79%	0.794	S	S	*	*			trans	-55.1	126	165.8	-77	137.9	171.2	173.9	0	110.4
238	V	25.5	Very low	28.2	Very low	142 Å²	142	153.1 Å²	153.1	86%	0.861	79%	0.793	S	S	*	*			trans	-88.4	108.1	156.3	177.4	0	0	0	0	106.3	L236	L236-V238 PolarHBondContact O-N 2.75Å
239	S	30.6	Very low	28.4	Very low	99 Å²	99	152.4 Å²	152.4	69%	0.692	79%	0.789	S	S	*	*			trans	-106.4	141.1	165.3	-65.4	0	0	0	0	109
240	P	29.6	Very low	28.7	Very low	126 Å²	126	151.7 Å²	151.7	82%	0.818	79%	0.786	S	S	*	*			trans	-82.5	155.4	-174.9	33.9	-32.9	0	0	0	112.3
241	I	29	Very low	28.9	Very low	157 Å²	157	156.2 Å²	156.2	81%	0.805	79%	0.793	S	S	*	*			trans	-44.1	138.1	175.6	-63.9	151.8	0	0	0	113.7
242	L	32.3	Very low	28.8	Very low	161 Å²	161	154.9 Å²	154.9	84%	0.843	79%	0.792	S	S	*	*			trans	-139.1	129.7	146.2	-159.4	79.6	0	0	0	110.1
243	P	31.4	Very low	29.2	Very low	101 Å²	101	153.1 Å²	153.1	66%	0.656	79%	0.788	S	S	*	*			trans	-99.6	137.8	174	35.4	-26.8	0	0	0	111.2
244	R	32.6	Very low	29.5	Very low	212 Å²	212	153 Å²	153	80%	0.8	78%	0.78	S	S	*	*			trans	-164.6	109	158.6	-116.7	175.9	176.8	-169.4	-1.2	111.3
245	R	30.7	Very low	29.6	Very low	221 Å²	221	151.7 Å²	151.7	83%	0.834	78%	0.779	S	S	*	*				76	114.2	102.2	-75.5	-168.4	179.3	-167.6	-2.2	115.8
246	Q	32	Very low	30	Very low	185 Å²	185	153.7 Å²	153.7	86%	0.864	78%	0.781	S	S	*	*			trans	-101.5	166.5	131	-66.7	-173.9	3.5	0	0	107
247	P	36.6	Very low	30.1	Very low	109 Å²	109	150.1 Å²	150.1	71%	0.708	77%	0.77	S	S	*	*			cis	-146	-173.5	22.2	37.5	-13.2	0	0	0	117.1
248	L	30.3	Very low	30.4	Very low	146 Å²	146	150 Å²	150	76%	0.764	77%	0.77	S	S	*	*			trans	92.5	110.8	151.8	-60.1	176.1	0	0	0	123.5
249	L	29.6	Very low	30.8	Very low	132 Å²	132	151.2 Å²	151.2	69%	0.691	77%	0.769	S	S	*	*				75.9	142.4	119.6	-78.9	172.6	0	0	0	125.3
250	H	30.6	Very low	30.8	Very low	162 Å²	162	149.6 Å²	149.6	75%	0.75	77%	0.768	S	S	*	*			trans	79.9	129.2	166.9	-60.5	-65.8	0	0	0	116.6
251	R	29.3	Very low	31	Very low	241 Å²	241	149.3 Å²	149.3	91%	0.909	77%	0.769	S	S	*	*				-164	146.4	55.1	-160.4	173.4	-174.6	165.8	0	113
252	T	25	Very low	31.1	Very low	115 Å²	115	153.1 Å²	153.1	71%	0.706	77%	0.773	S	S	*	*			trans	-63.1	153.8	171	-32	0	0	0	0	113.2
253	V	32	Very low	31.1	Very low	117 Å²	117	150.8 Å²	150.8	71%	0.709	77%	0.771	S	S	*	*				164.4	115.6	123.4	158.1	0	0	0	0	114.2
254	K	29.3	Very low	31.2	Very low	173 Å²	173	155.5 Å²	155.5	75%	0.752	78%	0.781	S	S	*	*			trans	74.8	121	135.5	-71.6	-178.8	-171.3	-179.8	0	125.1
255	T	27.5	Very low	31.2	Very low	120 Å²	120	149.7 Å²	149.7	74%	0.736	77%	0.772	S	S	*	*				56.6	141	127.4	67.8	0	0	0	0	119.2
256	N	31.6	Very low	31.1	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	78%	0.775	S	S	*	*			cis	-170.5	144.4	33	-139.5	3	0	0	0	112.2
257	S	29.7	Very low	31.1	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	77%	0.77	S	S	*	*			trans	38.5	125.1	142.4	66.8	0	0	0	0	125.4
258	K	34.1	Very low	30.9	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	77%	0.774	S	S	*	*				-177.8	105.1	123.8	-113.6	173.5	175.9	174.5	0	109.7
259	I	32.3	Very low	30.9	Very low	167 Å²	167	147.8 Å²	147.8	86%	0.856	78%	0.777	S	S	*	*				66	121.3	88.6	-61.2	169.6	0	0	0	115.5
260	G	31.6	Very low	30.7	Very low	65 Å²	65	148.9 Å²	148.9	67%	0.67	78%	0.779	S	S	*	*			trans	142.6	80.6	155	0	0	0	0	0	115.8
261	S	33	Very low	30.6	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	79%	0.788	S	S	*	*				58.3	121.2	112.9	-56.5	0	0	0	0	116.1
262	R	32.6	Very low	30.3	Very low	236 Å²	236	145.1 Å²	145.1	89%	0.891	79%	0.786	S	S	*	*				179.8	118.6	62.9	-119.7	170.4	162.4	173.3	-5.8	106.3
263	S	30.6	Very low	30.6	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	78%	0.78	S	S	*	*				70.5	131.6	91.1	-53.6	0	0	0	0	119.1
264	K	34.6	Very low	30.6	Very low	201 Å²	201	145.4 Å²	145.4	87%	0.874	79%	0.786	S	S	*	*			trans	97.9	134.8	159.3	-60.7	-177.3	178.5	-176	0	116.4
265	S	31.8	Very low	30.4	Very low	89 Å²	89	146.7 Å²	146.7	62%	0.622	79%	0.792	S	S	*	*			cis	176.9	139.8	-15.3	45.6	0	0	0	0	107.9
266	L	28.4	Very low	30.4	Very low	170 Å²	170	150.4 Å²	150.4	89%	0.89	80%	0.797	S	S	*	*			trans	63.6	134.9	148.8	-57.2	159.7	0	0	0	117.4
267	S	32.9	Very low	30.1	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	80%	0.803	S	S	*	*			cis	-160.7	162.9	29	51.6	0	0	0	0	112
268	P	33.2	Very low	29.9	Very low	120 Å²	120	152.8 Å²	152.8	78%	0.779	81%	0.81	S	S	*	*			trans	-104.5	142.5	173.3	36.7	-26	0	0	0	112.9
269	R	29.8	Very low	29.4	Very low	222 Å²	222	150.1 Å²	150.1	84%	0.838	80%	0.804	S	S	*	*			trans	-163.3	116.6	159.7	-105.2	-170.2	161.6	147.4	3.4	108.8
270	E	24.8	Very low	29.2	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	80%	0.798	S	S	*	*				71.9	100.5	104.3	-70.7	-178	143.5	0	0	113.3
271	E	27.9	Very low	28.8	Very low	200 Å²	200	152.3 Å²	152.3	94%	0.935	80%	0.797	S	S	*	*				-157.3	122.6	123	-118.5	179.5	-179	0	0	112
272	S	24.9	Very low	28.4	Very low	124 Å²	124	153.8 Å²	153.8	87%	0.867	79%	0.789	S	S	*	*			trans	-84.3	138.7	170.2	162.1	0	0	0	0	108.7
273	G	29.4	Very low	28.1	Very low	56 Å²	56	147.8 Å²	147.8	58%	0.577	78%	0.778	S	S	*	*			trans	-178.3	99.2	169.6	0	0	0	0	0	116.7
274	H	33.1	Very low	27.9	Very low	182 Å²	182	146.2 Å²	146.2	84%	0.843	78%	0.779	S	S	*	*			trans	63.8	99.6	142.8	-56.6	86.9	0	0	0	118.1
275	K	24.5	Very low	27.4	Very low	200 Å²	200	144.9 Å²	144.9	87%	0.87	77%	0.774	S	S	*	*				28.5	104.6	88.2	-82.8	-174.1	177.6	178.5	0	114.3
276	K	28.6	Very low	26.9	Very low	198 Å²	198	152.5 Å²	152.5	86%	0.861	79%	0.789	S	S	*	*			trans	177.2	101.8	143.5	-95	166.5	-168.1	-170.1	0	105.9
277	Q	24.2	Very low	26.7	Very low	189 Å²	189	151.8 Å²	151.8	88%	0.883	79%	0.785	S	S	*	*				40.9	79.4	83.2	-140.7	171.1	30.5	0	0	111.7	L279	Q277-L279 PolarHBondContact O-N 2.93Å
278	A	25.6	Very low	26.3	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	78%	0.781	S	S	*	*			trans	-94.3	79.6	162.8	0	0	0	0	0	108	E280	A278-E280 VanDerWaalsContact C-N 3.33Å; A278-E280 PolarHBondContact O-N 2.87Å
279	L	25	Very low	26	Very low	141 Å²	141	155.1 Å²	155.1	74%	0.738	78%	0.781	S	S	*	*			trans	-80.9	86.2	156.5	-173.5	81.5	0	0	0	105.5	Q277 L281	Q277-L279 PolarHBondContact O-N 2.93Å; L279-L281 HydrophobicContact CD2-CD1 3.62Å; L279-L281 HydrophobicContact CG-CD1 3.97Å; L279-L281 PolarHBondContact O-N 3.08Å; L279-L281 VanDerWaalsContact O-N 3.11Å
280	E	26	Very low	25.8	Very low	153 Å²	153	149.4 Å²	149.4	72%	0.715	77%	0.77	S	S	*	*			trans	-79.3	92.5	169.6	-80.4	-149.2	138.7	0	0	109.4	A278 F282	A278-E280 VanDerWaalsContact C-N 3.33Å; A278-E280 PolarHBondContact O-N 2.87Å; E280-F282 VanDerWaalsContact C-N 3.32Å; E280-F282 HydrophobicContact CB-CD2 4.38Å; E280-F282 PolarHBondContact O-N 3.1Å; E280-F282 VanDerWaalsContact OE2-CE2 3.29Å; E280-F282 WeakPolarHBondContact OE2-CE2 3.38Å
281	L	23.9	Very low	26	Very low	126 Å²	126	147.6 Å²	147.6	66%	0.66	77%	0.766	S	S	*	*			trans	-59	96.3	149.7	-87.3	96.6	0	0	0	108.4	L279 T283	L279-L281 HydrophobicContact CD2-CD1 3.62Å; L279-L281 HydrophobicContact CG-CD1 3.97Å; L279-L281 PolarHBondContact O-N 3.08Å; L279-L281 VanDerWaalsContact O-N 3.11Å; L281-T283 HydrophobicContact CB-CG2 4.5Å; L281-T283 HydrophobicContact CD2-CG2 4.15Å; L281-T283 PolarHBondContact O-N 2.97Å; L281-T283 VanDerWaalsContact O-N 3.11Å
282	F	25.9	Very low	26.2	Very low	151 Å²	151	142.4 Å²	142.4	66%	0.662	76%	0.757	S	S	*	*			trans	-81.1	77.6	157.4	-103.5	-83.3	0	0	0	109.2	E280 G284	E280-F282 VanDerWaalsContact C-N 3.32Å; E280-F282 HydrophobicContact CB-CD2 4.38Å; E280-F282 PolarHBondContact O-N 3.1Å; E280-F282 VanDerWaalsContact OE2-CE2 3.29Å; E280-F282 WeakPolarHBondContact OE2-CE2 3.38Å; F282-G284 PolarHBondContact O-N 3.25Å
283	T	24.9	Very low	26.6	Very low	110 Å²	110	144.9 Å²	144.9	68%	0.675	76%	0.755	S	S	*	*			trans	-65.2	121.8	158.4	44.6	0	0	0	0	109.4	L281	L281-T283 HydrophobicContact CB-CG2 4.5Å; L281-T283 HydrophobicContact CD2-CG2 4.15Å; L281-T283 PolarHBondContact O-N 2.97Å; L281-T283 VanDerWaalsContact O-N 3.11Å
284	G	25.7	Very low	27.2	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	76%	0.759	S	S	*	*			trans	66.7	50.4	140.9	0	0	0	0	0	118.5	F282	F282-G284 PolarHBondContact O-N 3.25Å
285	K	24.3	Very low	27.8	Very low	174 Å²	174	144.7 Å²	144.7	76%	0.757	76%	0.758	S	S	*	*			trans	-106.4	96.7	154.8	-74.9	-169	179	-179.9	0	110.5	L287	K285-L287 PolarHBondContact O-N 3.32Å
286	R	23	Very low	29.7	Very low	249 Å²	249	138.4 Å²	138.4	94%	0.94	73%	0.734	S	S	*	*			trans	-52.8	101.9	152.1	-107.7	179.4	176.1	177.6	-1.4	106.6
287	L	23.5	Very low	31.7	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	71%	0.711	S	S	*	*			trans	-70.3	127.3	159.2	-82.2	154.3	0	0	0	106.8	K285 Y289	K285-L287 PolarHBondContact O-N 3.32Å; L287-Y289 PolarHBondContact O-N 3.01Å
288	P	24.2	Very low	34.7	Very low	106 Å²	106	126.5 Å²	126.5	69%	0.688	69%	0.69	S	S	*	*			trans	-74	110.1	173.3	30.5	-27.5	0	0	0	106.9	T290	P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 2.76Å; P288-T290 VanDerWaalsContact O-N 3.14Å
289	Y	26.9	Very low	37.9	Very low	194 Å²	194	125.8 Å²	125.8	76%	0.761	68%	0.675	S	S	*	*			trans	-71.5	99.5	158.4	-173.4	-98.4	0	0	0	106.1	L287	L287-Y289 PolarHBondContact O-N 3.01Å
290	T	25.2	Very low	41.2	Very low	101 Å²	101	121.8 Å²	121.8	62%	0.62	66%	0.655	S	S	*	*			trans	-69.7	143.4	162.5	46.6	0	0	0	0	108.3	P288	P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 2.76Å; P288-T290 VanDerWaalsContact O-N 3.14Å
291	D	29.8	Very low	44.5	Very low	119 Å²	119	119.8 Å²	119.8	64%	0.636	65%	0.645	S	S	*	*			trans	83	50.9	177.8	-46.6	-19.5	0	0	0	116.1	E293	D291-E293 PolarHBondContact O-N 3.42Å; D291-E293 VanDerWaalsContact O-N 3.15Å
292	A	30.7	Very low	47.9	Very low	90 Å²	90	114.6 Å²	114.6	74%	0.744	62%	0.618	S	S	*	*			trans	-72.6	65.2	135.7	0	0	0	0	0	109.8
293	E	35	Very low	51.3	Low	177 Å²	177	113 Å²	113	83%	0.827	61%	0.613	S	S	*	*			trans	-111.4	43.9	162.3	-76.4	-162.2	158.3	0	0	110	D291	D291-E293 PolarHBondContact O-N 3.42Å; D291-E293 VanDerWaalsContact O-N 3.15Å
294	K	40.7	Very low	54.7	Low	153 Å²	153	107.8 Å²	107.8	67%	0.665	58%	0.581	S	S	*	*	S	Bend	trans	-123	89.8	157.4	-93.5	-175.6	175.7	179.5	0	107.5	N296 C297	K294-N296 PolarHBondContact O-N 2.79Å; K294-C297 PolarHBondContact O-SG 3.02Å; K294-C297 VanDerWaalsContact O-SG 3.4Å
295	G	45.7	Very low	58	Low	80 Å²	80	107.3 Å²	107.3	83%	0.825	57%	0.565	S	S	*	*	S	Bend	trans	-68.4	43.5	-168.7	0	0	0	0	0	117.2
296	N	65.3	Low	61.4	Low	68 Å²	68	100.8 Å²	100.8	36%	0.364	54%	0.537	S	S	.	.	S	Bend	trans	-164.6	57	165.1	-150.2	23.7	0	0	0	113.9	K294 T376 H377	K294-N296 PolarHBondContact O-N 2.79Å; N296-T376 WeakPolarHBondContact O-CA 3.48Å; N296-H377 PolarHBondContact ND2-O 3.05Å; N296-H377 PolarHBondContact O-N 3.39Å
297	C	70.6	Confident	64.7	Low	55 Å²	55	97.4 Å²	97.4	37%	0.372	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.8	176.7	48.9	0	0	0	0	113.7	K294 R375 T376	K294-C297 PolarHBondContact O-SG 3.02Å; K294-C297 VanDerWaalsContact O-SG 3.4Å; C297-R375 CarbonylContact C-O 3.53Å; C297-R375 VanDerWaalsContact CA-O 3.26Å; C297-R375 WeakPolarHBondContact CA-O 3.25Å; C297-T376 HydrophobicContact CB-CG2 3.84Å
298	D	87.9	Confident	67.7	Low	83 Å²	83	95.9 Å²	95.9	44%	0.444	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.6	173.4	-71.7	-26.5	0	0	0	109.8	L300 A374 R375 H377	D298-L300 HydrophobicContact CB-CG 4.49Å; D298-A374 CarbonylContact O-C 3.54Å; D298-A374 WeakPolarHBondContact O-CA 3.42Å; D298-R375 PolarHBondContact N-O 3.41Å; D298-R375 PolarHBondContact O-N 2.96Å; D298-H377 IonicContact OD2-CD2 3.68Å; D298-H377 PolarHBondContact OD2-CD2 2.88Å; D298-H377 IonicContact OD2-NE2 3.92Å; D298-H377 PolarHBondContact OD2-NE2 3.46Å
299	V	92.1	Very high	70.7	Confident	79 Å²	79	97.5 Å²	97.5	48%	0.479	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.8	173.5	-177.1	0	0	0	0	109.3	L345 R372 V373 A374	V299-L345 HydrophobicContact CG1-CD1 4.12Å; V299-R372 HydrophobicContact CG1-CG 4.11Å; V299-V373 CarbonylContact C-O 3.57Å; V299-V373 WeakPolarHBondContact CA-O 3.44Å; V299-A374 HydrophobicContact CG2-CB 4.37Å
300	L	94	Very high	73.7	Confident	58 Å²	58	91.3 Å²	91.3	30%	0.304	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.7	-171.7	-59.2	158.3	0	0	0	110.4	D298 V302 R372 V373 R375	D298-L300 HydrophobicContact CB-CG 4.49Å; L300-V302 HydrophobicContact CB-CG2 4.34Å; L300-R372 CarbonylContact O-C 3.56Å; L300-R372 WeakPolarHBondContact O-CA 3.4Å; L300-V373 HydrophobicContact CB-CG2 4.06Å; L300-V373 PolarHBondContact N-O 2.88Å; L300-V373 PolarHBondContact O-N 2.78Å; L300-R375 HydrophobicContact CD1-CB 4.12Å
301	E	95.2	Very high	76.9	Confident	111 Å²	111	89.8 Å²	89.8	52%	0.519	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.1	160.3	-99.9	-171.9	159.6	0	0	108.9	L371 R372	E301-L371 CarbonylContact C-O 3.48Å; E301-L371 WeakPolarHBondContact CA-O 3.31Å; E301-R372 HydrophobicContact CG-CB 4.49Å; E301-R372 HydrophobicContact CG-CG 4.31Å
302	V	96.3	Very high	80	Confident	16 Å²	16	85.5 Å²	85.5	10%	0.097	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.1	-176.9	-175.5	0	0	0	0	108.7	L300 L304 K337 L338 L371 V373	L300-V302 HydrophobicContact CB-CG2 4.34Å; V302-L304 HydrophobicContact CG1-CD2 3.8Å; V302-L304 HydrophobicContact CG1-CG 4.05Å; V302-K337 HydrophobicContact CG1-CB 3.95Å; V302-L338 HydrophobicContact CB-CD2 4.26Å; V302-L338 HydrophobicContact CG1-CD2 4.08Å; V302-L338 HydrophobicContact CG1-CG 4.47Å; V302-L338 HydrophobicContact CG2-CD2 4.14Å; V302-L371 PolarHBondContact N-O 3.39Å; V302-L371 PolarHBondContact O-N 3.49Å; V302-V373 HydrophobicContact CG2-CG2 3.75Å
303	Q	96.7	Very high	83	Confident	117 Å²	117	81.6 Å²	81.6	55%	0.547	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.2	172.6	-112.6	73.6	-0.9	0	0	110.6	K337 C370	Q303-K337 PolarHBondContact O-NZ 2.85Å; Q303-C370 VanDerWaalsContact CD-SG 3.58Å; Q303-C370 PolarHBondContact NE2-SG 3.06Å; Q303-C370 VanDerWaalsContact NE2-SG 3.43Å; Q303-C370 PolarHBondContact OE1-SG 3Å
304	L	96.4	Very high	85.8	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.8	179.9	-57.3	171.4	0	0	0	109.5	V302 W312 M314 V334 K337 L338 D368 V369 L371	V302-L304 HydrophobicContact CG1-CD2 3.8Å; V302-L304 HydrophobicContact CG1-CG 4.05Å; L304-W312 HydrophobicContact CB-CE3 4.21Å; L304-W312 HydrophobicContact CB-CH2 4.02Å; L304-W312 HydrophobicContact CB-CZ3 3.48Å; L304-W312 VanDerWaalsContact CB-CZ3 3.48Å; L304-M314 HydrophobicContact CD1-CE 3.81Å; L304-V334 HydrophobicContact CD1-CG1 3.97Å; L304-V334 HydrophobicContact CD2-CG1 4.35Å; L304-K337 HydrophobicContact CD2-CB 3.86Å; L304-K337 HydrophobicContact CD2-CD 3.56Å; L304-K337 HydrophobicContact CD2-CG 4.37Å; L304-L338 HydrophobicContact CD1-CD1 4.04Å; L304-D368 WeakPolarHBondContact O-CA 3.41Å; L304-V369 HydrophobicContact CB-CG1 3.81Å; L304-V369 HydrophobicContact CD1-CG1 4Å; L304-V369 HydrophobicContact CG-CG1 4.43Å; L304-V369 PolarHBondContact N-O 2.84Å; L304-V369 PolarHBondContact O-N 2.8Å; L304-L371 HydrophobicContact CD1-CD1 3.68Å; L304-L371 HydrophobicContact CD1-CG 4.18Å
305	S	95.8	Very high	88.2	Confident	68 Å²	68	68.1 Å²	68.1	48%	0.476	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.1	179.7	-59.6	0	0	0	0	108.8	S367 D368	S305-S367 CarbonylContact C-O 3.51Å; S305-S367 VanDerWaalsContact CA-O 3.3Å; S305-S367 WeakPolarHBondContact CA-O 3.35Å; S305-D368 WeakPolarHBondContact CB-OD1 2.95Å; S305-D368 PolarHBondContact OG-OD1 2.77Å
306	K	94.5	Very high	90.5	Very high	37 Å²	37	65.2 Å²	65.2	16%	0.161	35%	0.354	C	S	.	.			trans	-142	164	179.9	68.6	170.3	-165.4	76.1	0	112	T308 Q310 W312 P333 G366 S367	K306-T308 PolarHBondContact NZ-O 2.79Å; K306-Q310 VanDerWaalsContact CD-O 3.22Å; K306-Q310 WeakPolarHBondContact CD-O 3.42Å; K306-Q310 VanDerWaalsContact CE-O 3.22Å; K306-Q310 WeakPolarHBondContact CE-O 3.37Å; K306-Q310 PolarHBondContact NZ-O 3.47Å; K306-W312 HydrophobicContact CB-CE3 4.3Å; K306-W312 HydrophobicContact CB-CH2 4.26Å; K306-W312 HydrophobicContact CB-CZ3 3.96Å; K306-W312 HydrophobicContact CD-CD2 3.65Å; K306-W312 HydrophobicContact CD-CE3 3.93Å; K306-W312 HydrophobicContact CD-CG 4.08Å; K306-W312 HydrophobicContact CD-CH2 4.12Å; K306-W312 HydrophobicContact CD-CZ2 3.9Å; K306-W312 HydrophobicContact CD-CZ3 4.12Å; K306-W312 HydrophobicContact CG-CD2 4.33Å; K306-W312 HydrophobicContact CG-CE3 4.21Å; K306-W312 HydrophobicContact CG-CH2 3.76Å; K306-W312 HydrophobicContact CG-CZ2 3.93Å; K306-W312 HydrophobicContact CG-CZ3 3.9Å; K306-P333 HydrophobicContact CB-CB 3.91Å; K306-P333 HydrophobicContact CB-CG 3.46Å; K306-P333 VanDerWaalsContact CB-CG 3.46Å; K306-G366 VanDerWaalsContact CE-O 3.26Å; K306-G366 WeakPolarHBondContact CE-O 3.43Å; K306-S367 PolarHBondContact N-O 2.85Å; K306-S367 WeakPolarHBondContact O-CB 3.46Å; K306-S367 PolarHBondContact O-OG 3.37Å
307	R	91.7	Very high	91.4	Very high	178 Å²	178	62.2 Å²	62.2	67%	0.672	34%	0.339	S	S	*	.			trans	-66	152.2	166.1	-68.5	-176.5	-92.3	-156.2	-4.1	110.6	D309 Q310	R307-D309 VanDerWaalsContact C-N 3.26Å; R307-D309 WeakPolarHBondContact CB-OD1 3.31Å; R307-D309 PolarHBondContact O-N 2.94Å; R307-Q310 HydrophobicContact CB-CB 4.01Å; R307-Q310 PolarHBondContact O-N 2.78Å
308	T	87.2	Confident	92.2	Very high	122 Å²	122	64.7 Å²	64.7	75%	0.748	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.2	-176.2	30.7	0	0	0	0	112.6	K306 S367	K306-T308 PolarHBondContact NZ-O 2.79Å; T308-S367 WeakPolarHBondContact CG2-OG 3.35Å
309	D	87.4	Confident	91.8	Very high	141 Å²	141	63.2 Å²	63.2	75%	0.754	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.7	-179.2	63.2	-21.9	0	0	0	114.6	R307	R307-D309 VanDerWaalsContact C-N 3.26Å; R307-D309 WeakPolarHBondContact CB-OD1 3.31Å; R307-D309 PolarHBondContact O-N 2.94Å
310	Q	90.5	Very high	91	Very high	63 Å²	63	63.7 Å²	63.7	29%	0.294	34%	0.344	S	S	.	.	S	Bend	trans	-79.9	143.7	-179.2	-166.7	178.1	12.7	0	0	111.1	K306 R307 P333	K306-Q310 VanDerWaalsContact CD-O 3.22Å; K306-Q310 WeakPolarHBondContact CD-O 3.42Å; K306-Q310 VanDerWaalsContact CE-O 3.22Å; K306-Q310 WeakPolarHBondContact CE-O 3.37Å; K306-Q310 PolarHBondContact NZ-O 3.47Å; R307-Q310 HydrophobicContact CB-CB 4.01Å; R307-Q310 PolarHBondContact O-N 2.78Å; Q310-P333 HydrophobicContact CG-CG 4.27Å
311	A	92.2	Very high	90.2	Very high	70 Å²	70	63.8 Å²	63.8	58%	0.579	35%	0.349	S	S	*	.			trans	-78.3	153.8	168.1	0	0	0	0	0	110.9	G313 P333	A311-G313 PolarHBondContact O-N 3.15Å; A311-P333 WeakPolarHBondContact O-CD 3.24Å
312	W	94.8	Very high	89.8	Confident	28 Å²	28	59.3 Å²	59.3	11%	0.106	33%	0.333	C	S	.	.			trans	-63.6	-28.3	174.6	-74.4	112.5	0	0	0	112.9	L304 K306 M314 P333 V334 I362 G366 S367 V369	L304-W312 HydrophobicContact CB-CE3 4.21Å; L304-W312 HydrophobicContact CB-CH2 4.02Å; L304-W312 HydrophobicContact CB-CZ3 3.48Å; L304-W312 VanDerWaalsContact CB-CZ3 3.48Å; K306-W312 HydrophobicContact CB-CE3 4.3Å; K306-W312 HydrophobicContact CB-CH2 4.26Å; K306-W312 HydrophobicContact CB-CZ3 3.96Å; K306-W312 HydrophobicContact CD-CD2 3.65Å; K306-W312 HydrophobicContact CD-CE3 3.93Å; K306-W312 HydrophobicContact CD-CG 4.08Å; K306-W312 HydrophobicContact CD-CH2 4.12Å; K306-W312 HydrophobicContact CD-CZ2 3.9Å; K306-W312 HydrophobicContact CD-CZ3 4.12Å; K306-W312 HydrophobicContact CG-CD2 4.33Å; K306-W312 HydrophobicContact CG-CE3 4.21Å; K306-W312 HydrophobicContact CG-CH2 3.76Å; K306-W312 HydrophobicContact CG-CZ2 3.93Å; K306-W312 HydrophobicContact CG-CZ3 3.9Å; W312-M314 HydrophobicContact CB-CG 4.27Å; W312-P333 HydrophobicContact CE3-CB 3.89Å; W312-P333 HydrophobicContact CE3-CG 4.45Å; W312-P333 HydrophobicContact CZ3-CB 4.04Å; W312-P333 WeakPolarHBondContact O-CD 3.15Å; W312-V334 HydrophobicContact CB-CG1 4.38Å; W312-V334 HydrophobicContact CE3-CG1 4.25Å; W312-V334 VanDerWaalsContact O-CG1 3.25Å; W312-V334 WeakPolarHBondContact O-CG1 3.5Å; W312-V334 WeakPolarHBondContact O-CG2 3.23Å; W312-I362 HydrophobicContact CG-CG2 4.4Å; W312-G366 WeakPolarHBondContact CZ2-O 3.28Å; W312-S367 WeakPolarHBondContact CH2-O 3.5Å; W312-V369 HydrophobicContact CH2-CB 4.26Å; W312-V369 HydrophobicContact CH2-CG1 3.56Å; W312-V369 HydrophobicContact CZ2-CB 4.04Å; W312-V369 HydrophobicContact CZ2-CG1 3.55Å; W312-V369 HydrophobicContact CZ3-CG1 4.09Å
313	G	92.7	Very high	89.6	Confident	8 Å²	8	58.9 Å²	58.9	8%	0.082	33%	0.33	C	S	.	.			trans	69	30.3	-177.3	0	0	0	0	0	113.8	A311 Q329 V334	A311-G313 PolarHBondContact O-N 3.15Å; G313-Q329 WeakPolarHBondContact O-CB 3.35Å; G313-Q329 PolarHBondContact O-N 3.41Å; G313-V334 WeakPolarHBondContact O-CG2 3.36Å
314	M	94.5	Very high	89.4	Confident	33 Å²	33	54.5 Å²	54.5	16%	0.163	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.4	172.4	71.9	167.9	77.4	0	0	111.7	L304 W312 V316 S327 V334 L338 I362 L371	L304-M314 HydrophobicContact CD1-CE 3.81Å; W312-M314 HydrophobicContact CB-CG 4.27Å; M314-V316 HydrophobicContact CG-CG2 4.25Å; M314-V316 HydrophobicContact SD-CG2 3.7Å; M314-S327 CarbonylContact C-O 3.51Å; M314-S327 VanDerWaalsContact CA-O 3.27Å; M314-S327 WeakPolarHBondContact CA-O 3.43Å; M314-V334 HydrophobicContact CB-CG1 4.29Å; M314-V334 HydrophobicContact CB-CG2 4Å; M314-V334 HydrophobicContact CE-CB 4.21Å; M314-V334 HydrophobicContact CE-CG1 3.21Å; M314-L338 HydrophobicContact CE-CD1 3.34Å; M314-L338 HydrophobicContact SD-CD1 4.16Å; M314-I362 HydrophobicContact SD-CD1 4.36Å; M314-L371 HydrophobicContact CE-CD1 3.98Å
315	G	90.7	Very high	89.3	Confident	15 Å²	15	54.5 Å²	54.5	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.5	162.5	0	0	0	0	0	110.7	V325 T326 S327	G315-V325 CarbonylContact O-C 3.55Å; G315-V325 WeakPolarHBondContact O-CA 3.32Å; G315-T326 VanDerWaalsContact C-OG1 3.32Å; G315-T326 PolarHBondContact O-N 2.82Å; G315-T326 PolarHBondContact O-OG1 3.19Å; G315-S327 WeakPolarHBondContact CA-OG 3.3Å; G315-S327 PolarHBondContact N-O 2.78Å; G315-S327 PolarHBondContact N-OG 3.21Å
316	V	93.1	Very high	89.1	Confident	19 Å²	19	52.7 Å²	52.7	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.4	174	-180	0	0	0	0	108.7	M314 I323 L324 I344 Q355 A358 V359 I362	M314-V316 HydrophobicContact CG-CG2 4.25Å; M314-V316 HydrophobicContact SD-CG2 3.7Å; V316-I323 HydrophobicContact CG1-CG2 3.38Å; V316-L324 WeakPolarHBondContact CA-O 3.3Å; V316-I344 HydrophobicContact CB-CD1 4.45Å; V316-I344 HydrophobicContact CG1-CD1 3.87Å; V316-I344 HydrophobicContact CG2-CD1 3.73Å; V316-Q355 PolarHBondContact O-NE2 2.83Å; V316-A358 HydrophobicContact CG1-CB 3.99Å; V316-V359 HydrophobicContact CB-CG2 4.06Å; V316-V359 HydrophobicContact CG1-CG2 4.37Å; V316-I362 HydrophobicContact CG2-CD1 4.06Å
317	G	84.8	Confident	88.8	Confident	4 Å²	4	52.8 Å²	52.8	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.5	-176.8	0	0	0	0	0	113	L324	G317-L324 PolarHBondContact N-O 2.78Å; G317-L324 PolarHBondContact O-N 2.81Å
318	K	87.5	Confident	88.8	Confident	107 Å²	107	46.4 Å²	46.4	47%	0.465	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.4	170.1	-170.3	148.3	-172.3	164.3	0	110.5	I323 T353 Q355	K318-I323 HydrophobicContact CB-CD1 3.73Å; K318-I323 HydrophobicContact CD-CD1 3.71Å; K318-I323 HydrophobicContact CG-CD1 3.73Å; K318-T353 PolarHBondContact NZ-O 2.87Å; K318-Q355 HydrophobicContact CB-CB 4.02Å
319	R	80.5	Confident	88.9	Confident	52 Å²	52	46.3 Å²	46.3	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	173.2	168.4	-62.3	-59	-179.6	-93.6	0.5	109.2	Y179 S321 G322 L324	Y179-R319 PolarHBondContact OH-NE 2.83Å; R319-S321 PolarHBondContact O-N 3.02Å; R319-G322 PolarHBondContact N-O 2.88Å; R319-G322 PolarHBondContact O-N 2.8Å; R319-G322 VanDerWaalsContact O-O 3.1Å; R319-L324 HydrophobicContact CB-CD1 3.74Å; R319-L324 HydrophobicContact CG-CD1 3.54Å; R319-L324 HydrophobicContact CG-CG 4.44Å
320	A	74.2	Confident	89	Confident	89 Å²	89	43.2 Å²	43.2	74%	0.736	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.1	176.2	0	0	0	0	0	112.5	G322	A320-G322 VanDerWaalsContact C-N 3.28Å; A320-G322 PolarHBondContact O-N 2.92Å
321	S	76.7	Confident	88.9	Confident	60 Å²	60	47.4 Å²	47.4	42%	0.42	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.6	176.7	54.6	0	0	0	0	114.5	R319 Q343	R319-S321 PolarHBondContact O-N 3.02Å; S321-Q343 PolarHBondContact O-NE2 3.17Å; S321-Q343 PolarHBondContact O-OE1 2.78Å
322	G	87.1	Confident	89	Confident	18 Å²	18	45 Å²	45	19%	0.186	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-155.1	179	0	0	0	0	0	113.5	R319 A320	R319-G322 PolarHBondContact N-O 2.88Å; R319-G322 PolarHBondContact O-N 2.8Å; R319-G322 VanDerWaalsContact O-O 3.1Å; A320-G322 VanDerWaalsContact C-N 3.28Å; A320-G322 PolarHBondContact O-N 2.92Å
323	I	93.3	Very high	89.1	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.4	177.3	-53.9	-49.3	0	0	0	108.3	V316 K318 Q343 I344 V352 D354 Q355 A358	V316-I323 HydrophobicContact CG1-CG2 3.38Å; K318-I323 HydrophobicContact CB-CD1 3.73Å; K318-I323 HydrophobicContact CD-CD1 3.71Å; K318-I323 HydrophobicContact CG-CD1 3.73Å; I323-Q343 CarbonylContact O-C 3.47Å; I323-Q343 WeakPolarHBondContact O-CA 3.48Å; I323-I344 HydrophobicContact CG2-CB 4.4Å; I323-I344 PolarHBondContact O-N 2.93Å; I323-V352 HydrophobicContact CB-CG1 4.35Å; I323-V352 HydrophobicContact CG1-CG1 3.89Å; I323-V352 HydrophobicContact CG2-CG1 4.41Å; I323-D354 VanDerWaalsContact CD1-C 3.5Å; I323-Q355 HydrophobicContact CD1-CB 4.17Å; I323-Q355 VanDerWaalsContact CD1-N 3.33Å; I323-A358 HydrophobicContact CG2-CB 3.77Å
324	L	92.8	Very high	89.2	Confident	25 Å²	25	44.1 Å²	44.1	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.3	-173.2	-60.8	169.6	0	0	0	111.8	V316 G317 R319 T326 G341 D342 Q343	V316-L324 WeakPolarHBondContact CA-O 3.3Å; G317-L324 PolarHBondContact N-O 2.78Å; G317-L324 PolarHBondContact O-N 2.81Å; R319-L324 HydrophobicContact CB-CD1 3.74Å; R319-L324 HydrophobicContact CG-CD1 3.54Å; R319-L324 HydrophobicContact CG-CG 4.44Å; L324-T326 PolarHBondContact O-N 2.84Å; L324-G341 WeakPolarHBondContact CD2-O 3.33Å; L324-D342 CarbonylContact C-O 3.56Å; L324-D342 WeakPolarHBondContact CA-O 3.47Å; L324-Q343 HydrophobicContact CD2-CB 3.65Å; L324-Q343 HydrophobicContact CD2-CG 4.1Å
325	V	93.8	Very high	89.1	Confident	1 Å²	1	46 Å²	46	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	111.5	160.5	180	0	0	0	0	108.1	G315 V328 L338 G341 D342 I344	G315-V325 CarbonylContact O-C 3.55Å; G315-V325 WeakPolarHBondContact O-CA 3.32Å; V325-V328 HydrophobicContact CG1-CG2 3.63Å; V325-L338 HydrophobicContact CG2-CD1 4.08Å; V325-G341 PolarHBondContact O-N 3.26Å; V325-D342 HydrophobicContact CB-CB 4.34Å; V325-D342 HydrophobicContact CG2-CB 4Å; V325-D342 PolarHBondContact N-O 3.28Å; V325-I344 HydrophobicContact CG2-CD1 4.06Å; V325-I344 HydrophobicContact CG2-CG1 4.05Å
326	T	90.6	Very high	89.2	Confident	31 Å²	31	48.7 Å²	48.7	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-20.4	-176	57.4	0	0	0	0	113.3	G315 L324	G315-T326 VanDerWaalsContact C-OG1 3.32Å; G315-T326 PolarHBondContact O-N 2.82Å; G315-T326 PolarHBondContact O-OG1 3.19Å; L324-T326 PolarHBondContact O-N 2.84Å
327	S	89.3	Confident	89.3	Confident	39 Å²	39	52.4 Å²	52.4	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.7	174	64.1	0	0	0	0	110.8	M314 G315	M314-S327 CarbonylContact C-O 3.51Å; M314-S327 VanDerWaalsContact CA-O 3.27Å; M314-S327 WeakPolarHBondContact CA-O 3.43Å; G315-S327 WeakPolarHBondContact CA-OG 3.3Å; G315-S327 PolarHBondContact N-O 2.78Å; G315-S327 PolarHBondContact N-OG 3.21Å
328	V	91.4	Very high	89.8	Confident	43 Å²	43	52.5 Å²	52.5	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.9	175.9	173.1	0	0	0	0	106.3	V325 V334 L338	V325-V328 HydrophobicContact CG1-CG2 3.63Å; V328-V334 HydrophobicContact CG1-CG2 3.91Å; V328-L338 HydrophobicContact CG2-CB 4.44Å
329	Q	88.6	Confident	90	Very high	121 Å²	121	53.6 Å²	53.6	57%	0.565	33%	0.325	S	S	*	.			trans	-82.3	135.6	177.2	-70.9	-177	-23.2	0	0	109.9	G313 S332	G313-Q329 WeakPolarHBondContact O-CB 3.35Å; G313-Q329 PolarHBondContact O-N 3.41Å; Q329-S332 VanDerWaalsContact O-CB 3.25Å; Q329-S332 WeakPolarHBondContact O-CB 3.48Å; Q329-S332 PolarHBondContact O-N 2.86Å; Q329-S332 PolarHBondContact O-OG 3.09Å
330	A	89.1	Confident	90.4	Very high	76 Å²	76	57.2 Å²	57.2	63%	0.628	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	146.2	173.1	0	0	0	0	0	111.3	S332 D335	A330-S332 PolarHBondContact O-N 2.74Å; A330-D335 VanDerWaalsContact CA-OD2 3.32Å; A330-D335 WeakPolarHBondContact CA-OD2 3.32Å
331	N	90.2	Very high	91.1	Very high	151 Å²	151	54.3 Å²	54.3	81%	0.807	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.3	-178.5	-56.4	-49	0	0	0	114.7	D335	N331-D335 PolarHBondContact N-OD2 2.87Å
332	S	94.3	Very high	91.9	Very high	18 Å²	18	51.6 Å²	51.6	13%	0.126	31%	0.307	C	S	.	.	S	Bend	trans	-97.6	165.7	174.8	73.8	0	0	0	0	111.6	Q329 A330 V334 D335	Q329-S332 VanDerWaalsContact O-CB 3.25Å; Q329-S332 WeakPolarHBondContact O-CB 3.48Å; Q329-S332 PolarHBondContact O-N 2.86Å; Q329-S332 PolarHBondContact O-OG 3.09Å; A330-S332 PolarHBondContact O-N 2.74Å; S332-V334 PolarHBondContact O-N 3.49Å; S332-V334 WeakPolarHBondContact OG-CG2 3.24Å; S332-D335 WeakPolarHBondContact O-CB 3.24Å; S332-D335 PolarHBondContact O-N 2.84Å
333	P	95.5	Very high	92.3	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.123	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-19.3	176.8	-28.3	36.1	0	0	0	115.4	K306 Q310 A311 W312	K306-P333 HydrophobicContact CB-CB 3.91Å; K306-P333 HydrophobicContact CB-CG 3.46Å; K306-P333 VanDerWaalsContact CB-CG 3.46Å; Q310-P333 HydrophobicContact CG-CG 4.27Å; A311-P333 WeakPolarHBondContact O-CD 3.24Å; W312-P333 HydrophobicContact CE3-CB 3.89Å; W312-P333 HydrophobicContact CE3-CG 4.45Å; W312-P333 HydrophobicContact CZ3-CB 4.04Å; W312-P333 WeakPolarHBondContact O-CD 3.15Å
334	V	96.2	Very high	92.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.1	-176.9	-55.5	0	0	0	0	112.6	L304 W312 G313 M314 V328 S332 K337 L338	L304-V334 HydrophobicContact CD1-CG1 3.97Å; L304-V334 HydrophobicContact CD2-CG1 4.35Å; W312-V334 HydrophobicContact CB-CG1 4.38Å; W312-V334 HydrophobicContact CE3-CG1 4.25Å; W312-V334 VanDerWaalsContact O-CG1 3.25Å; W312-V334 WeakPolarHBondContact O-CG1 3.5Å; W312-V334 WeakPolarHBondContact O-CG2 3.23Å; G313-V334 WeakPolarHBondContact O-CG2 3.36Å; M314-V334 HydrophobicContact CB-CG1 4.29Å; M314-V334 HydrophobicContact CB-CG2 4Å; M314-V334 HydrophobicContact CE-CB 4.21Å; M314-V334 HydrophobicContact CE-CG1 3.21Å; V328-V334 HydrophobicContact CG1-CG2 3.91Å; S332-V334 PolarHBondContact O-N 3.49Å; S332-V334 WeakPolarHBondContact OG-CG2 3.24Å; V334-K337 PolarHBondContact O-N 3.38Å; V334-L338 HydrophobicContact CB-CD1 4.12Å; V334-L338 HydrophobicContact CG1-CD1 4.21Å; V334-L338 PolarHBondContact O-N 2.75Å
335	D	92.5	Very high	92.5	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	136.6	-177.3	-166.9	12.3	0	0	0	110.4	A330 N331 S332 K337	A330-D335 VanDerWaalsContact CA-OD2 3.32Å; A330-D335 WeakPolarHBondContact CA-OD2 3.32Å; N331-D335 PolarHBondContact N-OD2 2.87Å; S332-D335 WeakPolarHBondContact O-CB 3.24Å; S332-D335 PolarHBondContact O-N 2.84Å; D335-K337 PolarHBondContact O-N 2.94Å
336	G	92.1	Very high	92.6	Very high	72 Å²	72	54.7 Å²	54.7	74%	0.742	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-13.9	-172	0	0	0	0	0	116.3
337	K	95.3	Very high	92.9	Very high	97 Å²	97	53.3 Å²	53.3	42%	0.422	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-43.7	-178.8	-67	-173.4	174	-174.3	0	113	V302 Q303 L304 V334 D335 R375	V302-K337 HydrophobicContact CG1-CB 3.95Å; Q303-K337 PolarHBondContact O-NZ 2.85Å; L304-K337 HydrophobicContact CD2-CB 3.86Å; L304-K337 HydrophobicContact CD2-CD 3.56Å; L304-K337 HydrophobicContact CD2-CG 4.37Å; V334-K337 PolarHBondContact O-N 3.38Å; D335-K337 PolarHBondContact O-N 2.94Å; K337-R375 PolarHBondContact O-NH2 3.04Å; K337-R375 VanDerWaalsContact O-NH2 3.12Å
338	L	94.8	Very high	93.3	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	32%	0.316	C	S	.	.	S	Bend	trans	-103.7	153.4	173.7	-67.4	178.5	0	0	0	111	V302 L304 M314 V325 V328 V334 L371 V373	V302-L338 HydrophobicContact CB-CD2 4.26Å; V302-L338 HydrophobicContact CG1-CD2 4.08Å; V302-L338 HydrophobicContact CG1-CG 4.47Å; V302-L338 HydrophobicContact CG2-CD2 4.14Å; L304-L338 HydrophobicContact CD1-CD1 4.04Å; M314-L338 HydrophobicContact CE-CD1 3.34Å; M314-L338 HydrophobicContact SD-CD1 4.16Å; V325-L338 HydrophobicContact CG2-CD1 4.08Å; V328-L338 HydrophobicContact CG2-CB 4.44Å; V334-L338 HydrophobicContact CB-CD1 4.12Å; V334-L338 HydrophobicContact CG1-CD1 4.21Å; V334-L338 PolarHBondContact O-N 2.75Å; L338-L371 HydrophobicContact CD1-CD1 3.95Å; L338-L371 HydrophobicContact CD2-CD1 4.47Å; L338-V373 HydrophobicContact CD2-CG1 4.17Å; L338-V373 HydrophobicContact CD2-CG2 4.42Å
339	K	91.3	Very high	93.4	Very high	129 Å²	129	63.1 Å²	63.1	56%	0.561	34%	0.342	S	S	*	.			trans	-119.6	151.4	173	-64	-155.5	178.4	-164.8	0	111	G341 D342	K339-G341 PolarHBondContact O-N 3.15Å; K339-D342 PolarHBondContact N-OD2 2.77Å; K339-D342 VanDerWaalsContact O-CB 3.31Å; K339-D342 WeakPolarHBondContact O-CB 2.81Å; K339-D342 VanDerWaalsContact O-CG 3.27Å; K339-D342 PolarHBondContact O-N 3.09Å
340	L	89.5	Confident	93.6	Very high	129 Å²	129	63.6 Å²	63.6	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	127	173.7	-154.3	152.4	0	0	0	108.7
341	G	88.3	Confident	93.8	Very high	28 Å²	28	66.1 Å²	66.1	29%	0.289	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-2.1	-174	0	0	0	0	0	115.4	L324 V325 K339 Q343	L324-G341 WeakPolarHBondContact CD2-O 3.33Å; V325-G341 PolarHBondContact O-N 3.26Å; K339-G341 PolarHBondContact O-N 3.15Å; G341-Q343 PolarHBondContact O-N 3.33Å
342	D	93.8	Very high	94	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	31%	0.312	C	S	.	.			trans	-59.5	127.2	169.2	-77.1	-10.8	0	0	0	109.7	L324 V325 K339 V373 R375	L324-D342 CarbonylContact C-O 3.56Å; L324-D342 WeakPolarHBondContact CA-O 3.47Å; V325-D342 HydrophobicContact CB-CB 4.34Å; V325-D342 HydrophobicContact CG2-CB 4Å; V325-D342 PolarHBondContact N-O 3.28Å; K339-D342 PolarHBondContact N-OD2 2.77Å; K339-D342 VanDerWaalsContact O-CB 3.31Å; K339-D342 WeakPolarHBondContact O-CB 2.81Å; K339-D342 VanDerWaalsContact O-CG 3.27Å; K339-D342 PolarHBondContact O-N 3.09Å; D342-V373 HydrophobicContact CB-CB 4.24Å; D342-V373 HydrophobicContact CB-CG1 4.36Å; D342-R375 WeakPolarHBondContact OD1-CB 3.49Å; D342-R375 VanDerWaalsContact OD1-CG 3.32Å; D342-R375 WeakPolarHBondContact OD1-CG 3.27Å; D342-R375 IonicContact OD1-CZ 3.44Å; D342-R375 IonicContact OD1-NE 3.65Å; D342-R375 PolarHBondContact OD1-NE 3.4Å; D342-R375 IonicContact OD1-NH2 3.65Å; D342-R375 IonicContact OD2-CZ 3.27Å; D342-R375 IonicContact OD2-NE 3.5Å; D342-R375 PolarHBondContact OD2-NE 2.81Å; D342-R375 IonicContact OD2-NH2 2.72Å; D342-R375 PolarHBondContact OD2-NH2 2.82Å
343	Q	95.2	Very high	93.7	Very high	52 Å²	52	63.5 Å²	63.5	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.1	178.4	-174	-178.2	-6.6	0	0	110.8	S321 I323 L324 G341 L345 V373 A374	S321-Q343 PolarHBondContact O-NE2 3.17Å; S321-Q343 PolarHBondContact O-OE1 2.78Å; I323-Q343 CarbonylContact O-C 3.47Å; I323-Q343 WeakPolarHBondContact O-CA 3.48Å; L324-Q343 HydrophobicContact CD2-CB 3.65Å; L324-Q343 HydrophobicContact CD2-CG 4.1Å; G341-Q343 PolarHBondContact O-N 3.33Å; Q343-L345 HydrophobicContact CG-CD2 4.02Å; Q343-L345 PolarHBondContact O-N 2.89Å; Q343-V373 CarbonylContact O-C 3.57Å; Q343-V373 WeakPolarHBondContact O-CA 3.34Å; Q343-A374 HydrophobicContact CB-CB 4.29Å; Q343-A374 PolarHBondContact N-O 3.41Å; Q343-A374 PolarHBondContact O-N 2.94Å
344	I	95.7	Very high	93.4	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.015	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	110.1	177.2	-51.5	178.1	0	0	0	109.2	V316 I323 V325 V347 V352 I362 L371 V373	V316-I344 HydrophobicContact CB-CD1 4.45Å; V316-I344 HydrophobicContact CG1-CD1 3.87Å; V316-I344 HydrophobicContact CG2-CD1 3.73Å; I323-I344 HydrophobicContact CG2-CB 4.4Å; I323-I344 PolarHBondContact O-N 2.93Å; V325-I344 HydrophobicContact CG2-CD1 4.06Å; V325-I344 HydrophobicContact CG2-CG1 4.05Å; I344-V347 HydrophobicContact CG2-CG2 4.14Å; I344-V352 HydrophobicContact CG2-CG2 3.94Å; I344-I362 HydrophobicContact CD1-CD1 4.22Å; I344-L371 HydrophobicContact CG2-CD2 4.38Å; I344-V373 HydrophobicContact CG1-CG1 4.21Å
345	L	95.1	Very high	93.2	Very high	54 Å²	54	68.8 Å²	68.8	28%	0.283	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-38.3	179.3	-55.2	177.7	0	0	0	111.7	V299 Q343 V352 R372 A374	V299-L345 HydrophobicContact CG1-CD1 4.12Å; Q343-L345 HydrophobicContact CG-CD2 4.02Å; Q343-L345 PolarHBondContact O-N 2.89Å; L345-V352 PolarHBondContact O-N 3.26Å; L345-R372 WeakPolarHBondContact CB-O 3.35Å; L345-R372 PolarHBondContact N-O 3.18Å; L345-A374 HydrophobicContact CD1-CB 4.03Å; L345-A374 HydrophobicContact CD2-CB 4.49Å; L345-A374 HydrophobicContact CG-CB 4.39Å
346	A	96.2	Very high	93.1	Very high	6 Å²	6	68.1 Å²	68.1	5%	0.05	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.7	-179.7	0	0	0	0	0	112.4	Q350 R372	A346-Q350 CarbonylContact C-O 3.46Å; A346-Q350 WeakPolarHBondContact CA-O 3.3Å; A346-Q350 VanDerWaalsContact CB-O 3.28Å; A346-Q350 WeakPolarHBondContact CB-O 3.47Å; A346-R372 HydrophobicContact CB-CB 3.95Å; A346-R372 PolarHBondContact N-O 3.21Å; A346-R372 PolarHBondContact O-N 2.77Å
347	V	97.2	Very high	93.2	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123	171.7	-176	0	0	0	0	107.8	I344 R349 Q350 V352 M361 I362 V369 L371	I344-V347 HydrophobicContact CG2-CG2 4.14Å; V347-R349 PolarHBondContact O-N 2.74Å; V347-R349 VanDerWaalsContact O-N 3.15Å; V347-Q350 PolarHBondContact N-O 3.03Å; V347-Q350 PolarHBondContact O-N 3.25Å; V347-V352 HydrophobicContact CG2-CG2 3.7Å; V347-M361 HydrophobicContact CB-CB 3.8Å; V347-M361 HydrophobicContact CB-SD 4.11Å; V347-M361 HydrophobicContact CG1-CB 3.77Å; V347-M361 HydrophobicContact CG2-CB 4.16Å; V347-I362 HydrophobicContact CG1-CG1 3.9Å; V347-I362 HydrophobicContact CG2-CD1 4.26Å; V347-I362 HydrophobicContact CG2-CG1 3.75Å; V347-V369 HydrophobicContact CG1-CG2 3.52Å; V347-L371 HydrophobicContact CB-CD2 4.17Å; V347-L371 HydrophobicContact CG1-CD2 3.99Å; V347-L371 HydrophobicContact CG2-CD2 3.72Å
348	N	96.2	Very high	93.2	Very high	77 Å²	77	61.5 Å²	61.5	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	44.8	-176.8	-68.5	-13.9	0	0	0	112.7	Q350 A365 C370	N348-Q350 PolarHBondContact O-N 3.31Å; N348-Q350 VanDerWaalsContact O-N 3.15Å; N348-A365 WeakPolarHBondContact ND2-CB 3.21Å; N348-C370 PolarHBondContact N-O 3.12Å; N348-C370 PolarHBondContact OD1-N 2.88Å
349	R	93.4	Very high	93.2	Very high	212 Å²	212	64 Å²	64	80%	0.8	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-1.1	-177.6	-52.1	178.8	175.5	-156.5	-3.1	116	V347	V347-R349 PolarHBondContact O-N 2.74Å; V347-R349 VanDerWaalsContact O-N 3.15Å
350	Q	94.2	Very high	93.4	Very high	131 Å²	131	62.2 Å²	62.2	61%	0.612	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.8	167.6	-83.7	-172.8	-26.4	0	0	110.7	A346 V347 N348 M361	A346-Q350 CarbonylContact C-O 3.46Å; A346-Q350 WeakPolarHBondContact CA-O 3.3Å; A346-Q350 VanDerWaalsContact CB-O 3.28Å; A346-Q350 WeakPolarHBondContact CB-O 3.47Å; V347-Q350 PolarHBondContact N-O 3.03Å; V347-Q350 PolarHBondContact O-N 3.25Å; N348-Q350 PolarHBondContact O-N 3.31Å; N348-Q350 VanDerWaalsContact O-N 3.15Å; Q350-M361 HydrophobicContact CB-SD 3.53Å; Q350-M361 VanDerWaalsContact CB-SD 3.53Å; Q350-M361 PolarHBondContact OE1-SD 3.21Å
351	I	93.7	Very high	93.7	Very high	129 Å²	129	57.4 Å²	57.4	66%	0.662	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.4	179.4	-62.9	178.5	0	0	0	109.8
352	V	92.9	Very high	94	Very high	16 Å²	16	56.5 Å²	56.5	10%	0.097	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-92.3	126.9	175.8	-169	0	0	0	0	110	I323 I344 L345 V347 D354 A358 M361	I323-V352 HydrophobicContact CB-CG1 4.35Å; I323-V352 HydrophobicContact CG1-CG1 3.89Å; I323-V352 HydrophobicContact CG2-CG1 4.41Å; I344-V352 HydrophobicContact CG2-CG2 3.94Å; L345-V352 PolarHBondContact O-N 3.26Å; V347-V352 HydrophobicContact CG2-CG2 3.7Å; V352-D354 WeakPolarHBondContact CG1-O 3.11Å; V352-A358 HydrophobicContact CG1-CB 3.3Å; V352-A358 HydrophobicContact CG2-CB 4.44Å; V352-M361 HydrophobicContact CB-CE 4.47Å; V352-M361 HydrophobicContact CG2-CE 4.04Å
353	T	87.8	Confident	93.9	Very high	97 Å²	97	65.5 Å²	65.5	60%	0.595	33%	0.327	S	S	*	.			trans	-104.2	-30.1	179.8	49.2	0	0	0	0	113.3	K318	K318-T353 PolarHBondContact NZ-O 2.87Å
354	D	91.2	Very high	93.8	Very high	60 Å²	60	67.1 Å²	67.1	32%	0.321	35%	0.349	S	S	.	.	S	Bend	trans	-151.5	166.8	-175.5	62.1	78.5	0	0	0	110.8	I323 V352 A356 S357 A358	I323-D354 VanDerWaalsContact CD1-C 3.5Å; V352-D354 WeakPolarHBondContact CG1-O 3.11Å; D354-A356 PolarHBondContact O-N 2.87Å; D354-A356 WeakPolarHBondContact OD1-CB 3.27Å; D354-A356 PolarHBondContact OD1-N 3.47Å; D354-A356 VanDerWaalsContact OD1-N 3.08Å; D354-S357 WeakPolarHBondContact O-CB 3.42Å; D354-S357 PolarHBondContact O-N 2.85Å; D354-S357 VanDerWaalsContact OD1-CB 3.24Å; D354-S357 WeakPolarHBondContact OD1-CB 3.3Å; D354-S357 PolarHBondContact OD1-N 2.86Å; D354-S357 WeakPolarHBondContact OD2-CB 3.39Å; D354-A358 PolarHBondContact O-N 3.41Å
355	Q	91.9	Very high	93.7	Very high	71 Å²	71	68.2 Å²	68.2	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-38.9	-175.8	173	-176.2	-23.7	0	0	112.3	V316 K318 I323 A358 V359	V316-Q355 PolarHBondContact O-NE2 2.83Å; K318-Q355 HydrophobicContact CB-CB 4.02Å; I323-Q355 HydrophobicContact CD1-CB 4.17Å; I323-Q355 VanDerWaalsContact CD1-N 3.33Å; Q355-A358 WeakPolarHBondContact O-CB 3.45Å; Q355-A358 PolarHBondContact O-N 2.82Å; Q355-V359 HydrophobicContact CG-CG2 4.37Å; Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.4Å; Q355-V359 PolarHBondContact O-N 2.85Å
356	A	90	Very high	93.5	Very high	57 Å²	57	67.2 Å²	67.2	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-43.7	-177.8	0	0	0	0	0	110.7	D354 V359 N360	D354-A356 PolarHBondContact O-N 2.87Å; D354-A356 WeakPolarHBondContact OD1-CB 3.27Å; D354-A356 PolarHBondContact OD1-N 3.47Å; D354-A356 VanDerWaalsContact OD1-N 3.08Å; A356-V359 PolarHBondContact O-N 3.02Å; A356-N360 WeakPolarHBondContact O-CB 3.23Å; A356-N360 PolarHBondContact O-N 3.21Å; A356-N360 PolarHBondContact O-ND2 2.78Å
357	S	94	Very high	93.5	Very high	30 Å²	30	68.4 Å²	68.4	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-54.3	-49.4	171.2	167.8	0	0	0	0	111.6	D354 N360 M361	D354-S357 WeakPolarHBondContact O-CB 3.42Å; D354-S357 PolarHBondContact O-N 2.85Å; D354-S357 VanDerWaalsContact OD1-CB 3.24Å; D354-S357 WeakPolarHBondContact OD1-CB 3.3Å; D354-S357 PolarHBondContact OD1-N 2.86Å; D354-S357 WeakPolarHBondContact OD2-CB 3.39Å; S357-N360 PolarHBondContact O-N 2.91Å; S357-M361 WeakPolarHBondContact O-CB 3.45Å; S357-M361 WeakPolarHBondContact O-CE 3.36Å; S357-M361 WeakPolarHBondContact O-CG 3.38Å; S357-M361 PolarHBondContact O-N 3.45Å; S357-M361 WeakPolarHBondContact OG-CE 3.46Å
358	A	95.3	Very high	93.4	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-54.5	177	0	0	0	0	0	112.3	V316 I323 V352 D354 Q355 N360 M361 I362	V316-A358 HydrophobicContact CG1-CB 3.99Å; I323-A358 HydrophobicContact CG2-CB 3.77Å; V352-A358 HydrophobicContact CG1-CB 3.3Å; V352-A358 HydrophobicContact CG2-CB 4.44Å; D354-A358 PolarHBondContact O-N 3.41Å; Q355-A358 WeakPolarHBondContact O-CB 3.45Å; Q355-A358 PolarHBondContact O-N 2.82Å; A358-N360 VanDerWaalsContact C-N 3.34Å; A358-N360 PolarHBondContact O-N 2.93Å; A358-M361 PolarHBondContact O-N 3.16Å; A358-I362 WeakPolarHBondContact O-CB 3.3Å; A358-I362 VanDerWaalsContact O-CG1 3.24Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.2Å
359	V	94.6	Very high	93.4	Very high	60 Å²	60	69.4 Å²	69.4	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-41.9	-176.3	172.2	0	0	0	0	110.5	V316 Q355 A356 R363	V316-V359 HydrophobicContact CB-CG2 4.06Å; V316-V359 HydrophobicContact CG1-CG2 4.37Å; Q355-V359 HydrophobicContact CG-CG2 4.37Å; Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.4Å; Q355-V359 PolarHBondContact O-N 2.85Å; A356-V359 PolarHBondContact O-N 3.02Å; V359-R363 VanDerWaalsContact O-CB 3.29Å; V359-R363 WeakPolarHBondContact O-CB 3.21Å; V359-R363 PolarHBondContact O-N 3.14Å
360	N	94.4	Very high	93.6	Very high	91 Å²	91	60 Å²	60	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-43.9	178.3	-74.7	-27	0	0	0	111.9	A356 S357 A358 R363 A364	A356-N360 WeakPolarHBondContact O-CB 3.23Å; A356-N360 PolarHBondContact O-N 3.21Å; A356-N360 PolarHBondContact O-ND2 2.78Å; S357-N360 PolarHBondContact O-N 2.91Å; A358-N360 VanDerWaalsContact C-N 3.34Å; A358-N360 PolarHBondContact O-N 2.93Å; N360-R363 PolarHBondContact O-N 3.11Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 3.47Å
361	M	96.5	Very high	93.8	Very high	28 Å²	28	53.7 Å²	53.7	14%	0.138	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-44.9	176.3	-77.9	-171.5	-92.9	0	0	112.2	V347 Q350 V352 S357 A358 R363 A364 A365	V347-M361 HydrophobicContact CB-CB 3.8Å; V347-M361 HydrophobicContact CB-SD 4.11Å; V347-M361 HydrophobicContact CG1-CB 3.77Å; V347-M361 HydrophobicContact CG2-CB 4.16Å; Q350-M361 HydrophobicContact CB-SD 3.53Å; Q350-M361 VanDerWaalsContact CB-SD 3.53Å; Q350-M361 PolarHBondContact OE1-SD 3.21Å; V352-M361 HydrophobicContact CB-CE 4.47Å; V352-M361 HydrophobicContact CG2-CE 4.04Å; S357-M361 WeakPolarHBondContact O-CB 3.45Å; S357-M361 WeakPolarHBondContact O-CE 3.36Å; S357-M361 WeakPolarHBondContact O-CG 3.38Å; S357-M361 PolarHBondContact O-N 3.45Å; S357-M361 WeakPolarHBondContact OG-CE 3.46Å; A358-M361 PolarHBondContact O-N 3.16Å; M361-R363 VanDerWaalsContact C-N 3.29Å; M361-R363 PolarHBondContact O-N 2.75Å; M361-A364 PolarHBondContact O-N 3Å; M361-A365 PolarHBondContact O-N 3.48Å
362	I	95.3	Very high	93.9	Very high	9 Å²	9	54 Å²	54	5%	0.046	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-40.1	178.2	-68.5	166.8	0	0	0	110.7	W312 M314 V316 I344 V347 A358 L371	W312-I362 HydrophobicContact CG-CG2 4.4Å; M314-I362 HydrophobicContact SD-CD1 4.36Å; V316-I362 HydrophobicContact CG2-CD1 4.06Å; I344-I362 HydrophobicContact CD1-CD1 4.22Å; V347-I362 HydrophobicContact CG1-CG1 3.9Å; V347-I362 HydrophobicContact CG2-CD1 4.26Å; V347-I362 HydrophobicContact CG2-CG1 3.75Å; A358-I362 WeakPolarHBondContact O-CB 3.3Å; A358-I362 VanDerWaalsContact O-CG1 3.24Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.2Å; I362-L371 HydrophobicContact CD1-CD2 4.23Å; I362-L371 HydrophobicContact CG1-CD2 4.03Å
363	R	92	Very high	94.1	Very high	192 Å²	192	53.2 Å²	53.2	73%	0.725	30%	0.3	S	S	*	.	H	α-helix	trans	-69.8	-38.5	177.1	-164	175.9	72.8	135.2	2.6	111.9	V359 N360 M361 A365 G366	V359-R363 VanDerWaalsContact O-CB 3.29Å; V359-R363 WeakPolarHBondContact O-CB 3.21Å; V359-R363 PolarHBondContact O-N 3.14Å; N360-R363 PolarHBondContact O-N 3.11Å; M361-R363 VanDerWaalsContact C-N 3.29Å; M361-R363 PolarHBondContact O-N 2.75Å; R363-A365 VanDerWaalsContact C-N 3.3Å; R363-A365 PolarHBondContact O-N 2.83Å; R363-G366 PolarHBondContact O-N 3.04Å
364	A	92.8	Very high	94.4	Very high	86 Å²	86	49.2 Å²	49.2	71%	0.711	28%	0.277	S	S	*	.	H	α-helix	trans	-70.2	-25.6	178.7	0	0	0	0	0	113.2	N360 M361 G366	N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 3.47Å; M361-A364 PolarHBondContact O-N 3Å; A364-G366 PolarHBondContact O-N 3.15Å
365	A	93.4	Very high	94.5	Very high	25 Å²	25	48.3 Å²	48.3	21%	0.207	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	174.9	0	0	0	0	0	113.1	N348 M361 R363 S367 D368 V369	N348-A365 WeakPolarHBondContact ND2-CB 3.21Å; M361-A365 PolarHBondContact O-N 3.48Å; R363-A365 VanDerWaalsContact C-N 3.3Å; R363-A365 PolarHBondContact O-N 2.83Å; A365-S367 PolarHBondContact O-N 2.87Å; A365-D368 WeakPolarHBondContact CB-O 3.41Å; A365-V369 HydrophobicContact CB-CB 3.74Å; A365-V369 HydrophobicContact CB-CG2 3.67Å
366	G	91.4	Very high	93.9	Very high	34 Å²	34	49 Å²	49	35%	0.351	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-115.8	175.6	0	0	0	0	0	112.3	K306 W312 R363 A364	K306-G366 VanDerWaalsContact CE-O 3.26Å; K306-G366 WeakPolarHBondContact CE-O 3.43Å; W312-G366 WeakPolarHBondContact CZ2-O 3.28Å; R363-G366 PolarHBondContact O-N 3.04Å; A364-G366 PolarHBondContact O-N 3.15Å
367	S	95.3	Very high	92.9	Very high	30 Å²	30	50.4 Å²	50.4	21%	0.21	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-22.4	-175.3	-75.9	0	0	0	0	114.2	S305 K306 T308 W312 A365	S305-S367 CarbonylContact C-O 3.51Å; S305-S367 VanDerWaalsContact CA-O 3.3Å; S305-S367 WeakPolarHBondContact CA-O 3.35Å; K306-S367 PolarHBondContact N-O 2.85Å; K306-S367 WeakPolarHBondContact O-CB 3.46Å; K306-S367 PolarHBondContact O-OG 3.37Å; T308-S367 WeakPolarHBondContact CG2-OG 3.35Å; W312-S367 WeakPolarHBondContact CH2-O 3.5Å; A365-S367 PolarHBondContact O-N 2.87Å
368	D	95.9	Very high	91	Very high	96 Å²	96	54.7 Å²	54.7	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.6	-177	-65.2	-64.4	0	0	0	110	L304 S305 A365	L304-D368 WeakPolarHBondContact O-CA 3.41Å; S305-D368 WeakPolarHBondContact CB-OD1 2.95Å; S305-D368 PolarHBondContact OG-OD1 2.77Å; A365-D368 WeakPolarHBondContact CB-O 3.41Å
369	V	96.5	Very high	88.8	Confident	3 Å²	3	62 Å²	62	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.5	178.2	72.1	0	0	0	0	110.6	L304 W312 V347 A365 L371	L304-V369 HydrophobicContact CB-CG1 3.81Å; L304-V369 HydrophobicContact CD1-CG1 4Å; L304-V369 HydrophobicContact CG-CG1 4.43Å; L304-V369 PolarHBondContact N-O 2.84Å; L304-V369 PolarHBondContact O-N 2.8Å; W312-V369 HydrophobicContact CH2-CB 4.26Å; W312-V369 HydrophobicContact CH2-CG1 3.56Å; W312-V369 HydrophobicContact CZ2-CB 4.04Å; W312-V369 HydrophobicContact CZ2-CG1 3.55Å; W312-V369 HydrophobicContact CZ3-CG1 4.09Å; V347-V369 HydrophobicContact CG1-CG2 3.52Å; A365-V369 HydrophobicContact CB-CB 3.74Å; A365-V369 HydrophobicContact CB-CG2 3.67Å; V369-L371 HydrophobicContact CG1-CG 4.49Å; V369-L371 HydrophobicContact CG2-CD2 3.97Å
370	C	97.3	Very high	86	Confident	14 Å²	14	64.2 Å²	64.2	10%	0.095	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	170.3	-178.6	0	0	0	0	108.7	Q303 N348	Q303-C370 VanDerWaalsContact CD-SG 3.58Å; Q303-C370 PolarHBondContact NE2-SG 3.06Å; Q303-C370 VanDerWaalsContact NE2-SG 3.43Å; Q303-C370 PolarHBondContact OE1-SG 3Å; N348-C370 PolarHBondContact N-O 3.12Å; N348-C370 PolarHBondContact OD1-N 2.88Å
371	L	97.5	Very high	83.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	176.7	-61.1	-177.5	0	0	0	110.1	E301 V302 L304 M314 L338 I344 V347 I362 V369 V373	E301-L371 CarbonylContact C-O 3.48Å; E301-L371 WeakPolarHBondContact CA-O 3.31Å; V302-L371 PolarHBondContact N-O 3.39Å; V302-L371 PolarHBondContact O-N 3.49Å; L304-L371 HydrophobicContact CD1-CD1 3.68Å; L304-L371 HydrophobicContact CD1-CG 4.18Å; M314-L371 HydrophobicContact CE-CD1 3.98Å; L338-L371 HydrophobicContact CD1-CD1 3.95Å; L338-L371 HydrophobicContact CD2-CD1 4.47Å; I344-L371 HydrophobicContact CG2-CD2 4.38Å; V347-L371 HydrophobicContact CB-CD2 4.17Å; V347-L371 HydrophobicContact CG1-CD2 3.99Å; V347-L371 HydrophobicContact CG2-CD2 3.72Å; I362-L371 HydrophobicContact CD1-CD2 4.23Å; I362-L371 HydrophobicContact CG1-CD2 4.03Å; V369-L371 HydrophobicContact CG1-CG 4.49Å; V369-L371 HydrophobicContact CG2-CD2 3.97Å; L371-V373 HydrophobicContact CB-CG1 4.23Å
372	R	97	Very high	80	Confident	135 Å²	135	67.4 Å²	67.4	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.2	167	-159.7	172.4	165.6	-167.8	-6.2	108.1	V299 L300 E301 L345 A346	V299-R372 HydrophobicContact CG1-CG 4.11Å; L300-R372 CarbonylContact O-C 3.56Å; L300-R372 WeakPolarHBondContact O-CA 3.4Å; E301-R372 HydrophobicContact CG-CB 4.49Å; E301-R372 HydrophobicContact CG-CG 4.31Å; L345-R372 WeakPolarHBondContact CB-O 3.35Å; L345-R372 PolarHBondContact N-O 3.18Å; A346-R372 HydrophobicContact CB-CB 3.95Å; A346-R372 PolarHBondContact N-O 3.21Å; A346-R372 PolarHBondContact O-N 2.77Å
373	V	96.2	Very high	76.9	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.4	-173.2	-68.3	0	0	0	0	112.3	V299 L300 V302 L338 D342 Q343 I344 L371	V299-V373 CarbonylContact C-O 3.57Å; V299-V373 WeakPolarHBondContact CA-O 3.44Å; L300-V373 HydrophobicContact CB-CG2 4.06Å; L300-V373 PolarHBondContact N-O 2.88Å; L300-V373 PolarHBondContact O-N 2.78Å; V302-V373 HydrophobicContact CG2-CG2 3.75Å; L338-V373 HydrophobicContact CD2-CG1 4.17Å; L338-V373 HydrophobicContact CD2-CG2 4.42Å; D342-V373 HydrophobicContact CB-CB 4.24Å; D342-V373 HydrophobicContact CB-CG1 4.36Å; Q343-V373 CarbonylContact O-C 3.57Å; Q343-V373 WeakPolarHBondContact O-CA 3.34Å; I344-V373 HydrophobicContact CG1-CG1 4.21Å; L371-V373 HydrophobicContact CB-CG1 4.23Å
374	A	93.6	Very high	74.2	Confident	13 Å²	13	72 Å²	72	11%	0.107	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.3	164.7	0	0	0	0	0	109.7	D298 V299 Q343 L345	D298-A374 CarbonylContact O-C 3.54Å; D298-A374 WeakPolarHBondContact O-CA 3.42Å; V299-A374 HydrophobicContact CG2-CB 4.37Å; Q343-A374 HydrophobicContact CB-CB 4.29Å; Q343-A374 PolarHBondContact N-O 3.41Å; Q343-A374 PolarHBondContact O-N 2.94Å; L345-A374 HydrophobicContact CD1-CB 4.03Å; L345-A374 HydrophobicContact CD2-CB 4.49Å; L345-A374 HydrophobicContact CG-CB 4.39Å
375	R	92.7	Very high	71.4	Confident	40 Å²	40	76 Å²	76	15%	0.151	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117	-179.8	179.7	174.1	-66.8	158.7	2.4	109.5	C297 D298 L300 K337 D342	C297-R375 CarbonylContact C-O 3.53Å; C297-R375 VanDerWaalsContact CA-O 3.26Å; C297-R375 WeakPolarHBondContact CA-O 3.25Å; D298-R375 PolarHBondContact N-O 3.41Å; D298-R375 PolarHBondContact O-N 2.96Å; L300-R375 HydrophobicContact CD1-CB 4.12Å; K337-R375 PolarHBondContact O-NH2 3.04Å; K337-R375 VanDerWaalsContact O-NH2 3.12Å; D342-R375 WeakPolarHBondContact OD1-CB 3.49Å; D342-R375 VanDerWaalsContact OD1-CG 3.32Å; D342-R375 WeakPolarHBondContact OD1-CG 3.27Å; D342-R375 IonicContact OD1-CZ 3.44Å; D342-R375 IonicContact OD1-NE 3.65Å; D342-R375 PolarHBondContact OD1-NE 3.4Å; D342-R375 IonicContact OD1-NH2 3.65Å; D342-R375 IonicContact OD2-CZ 3.27Å; D342-R375 IonicContact OD2-NE 3.5Å; D342-R375 PolarHBondContact OD2-NE 2.81Å; D342-R375 IonicContact OD2-NH2 2.72Å; D342-R375 PolarHBondContact OD2-NH2 2.82Å
376	T	80.9	Confident	68.6	Low	87 Å²	87	81 Å²	81	53%	0.534	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.6	171.8	33.8	0	0	0	0	110.7	N296 C297	N296-T376 WeakPolarHBondContact O-CA 3.48Å; C297-T376 HydrophobicContact CB-CG2 3.84Å
377	H	69	Low	66.4	Low	86 Å²	86	84.9 Å²	84.9	40%	0.398	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-84.1	126.8	171.7	-79.7	-78.2	0	0	0	109.6	N296 D298 Q379	N296-H377 PolarHBondContact ND2-O 3.05Å; N296-H377 PolarHBondContact O-N 3.39Å; D298-H377 IonicContact OD2-CD2 3.68Å; D298-H377 PolarHBondContact OD2-CD2 2.88Å; D298-H377 IonicContact OD2-NE2 3.92Å; D298-H377 PolarHBondContact OD2-NE2 3.46Å; H377-Q379 PolarHBondContact O-N 2.7Å; H377-Q379 VanDerWaalsContact O-N 3.15Å
378	P	52.6	Low	64.8	Low	119 Å²	119	93.7 Å²	93.7	77%	0.773	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.3	122	169.2	24.1	-29.3	0	0	0	107.4	S380	P378-S380 PolarHBondContact O-N 3.34Å; P378-S380 VanDerWaalsContact O-N 3.11Å
379	Q	49.1	Very low	63.2	Low	155 Å²	155	93.6 Å²	93.6	72%	0.724	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-57.1	121.3	172.7	-76.6	-172.1	-7.3	0	0	107.5	H377 A381	H377-Q379 PolarHBondContact O-N 2.7Å; H377-Q379 VanDerWaalsContact O-N 3.15Å; Q379-A381 PolarHBondContact O-N 3.4Å
380	S	37	Very low	61.5	Low	105 Å²	105	98.3 Å²	98.3	73%	0.734	56%	0.564	S	S	*	*			trans	-54.6	114.3	164.8	51.2	0	0	0	0	106.5	P378 S382	P378-S380 PolarHBondContact O-N 3.34Å; P378-S380 VanDerWaalsContact O-N 3.11Å; S380-S382 VanDerWaalsContact C-N 3.26Å; S380-S382 PolarHBondContact O-N 2.99Å
381	A	33	Very low	59.5	Low	78 Å²	78	103 Å²	103	65%	0.645	59%	0.591	S	S	*	*			trans	-57.1	96.8	171	0	0	0	0	0	107.6	Q379 F383	Q379-A381 PolarHBondContact O-N 3.4Å; A381-F383 VanDerWaalsContact C-N 3.29Å; A381-F383 HydrophobicContact CB-CE2 4.37Å; A381-F383 PolarHBondContact O-N 3.15Å
382	S	31	Very low	57.2	Low	109 Å²	109	109.1 Å²	109.1	76%	0.762	63%	0.625	S	S	*	*			trans	-70.8	94.4	167.7	53.8	0	0	0	0	105.9	S380 P384	S380-S382 VanDerWaalsContact C-N 3.26Å; S380-S382 PolarHBondContact O-N 2.99Å; S382-P384 WeakPolarHBondContact O-CD 3.44Å
383	F	30.8	Very low	54.8	Low	181 Å²	181	107.4 Å²	107.4	79%	0.794	63%	0.633	S	S	*	*			trans	-59.2	124.4	165.9	-73.6	-85	0	0	0	107.7	A381 L385	A381-F383 VanDerWaalsContact C-N 3.29Å; A381-F383 HydrophobicContact CB-CE2 4.37Å; A381-F383 PolarHBondContact O-N 3.15Å; F383-L385 PolarHBondContact O-N 2.75Å; F383-L385 VanDerWaalsContact O-N 3.15Å
384	P	34.5	Very low	52	Low	116 Å²	116	114.6 Å²	114.6	75%	0.753	68%	0.675	S	S	*	*			trans	-64.8	119.8	169.1	26.4	-29.1	0	0	0	107.1	S382 V386	S382-P384 WeakPolarHBondContact O-CD 3.44Å; P384-V386 PolarHBondContact O-N 2.69Å; P384-V386 VanDerWaalsContact O-N 3.09Å
385	L	33.6	Very low	49	Very low	169 Å²	169	121.9 Å²	121.9	89%	0.885	72%	0.715	S	S	*	*			trans	-56.4	115	170	-72.9	163.8	0	0	0	107.5	F383	F383-L385 PolarHBondContact O-N 2.75Å; F383-L385 VanDerWaalsContact O-N 3.15Å
386	V	36.5	Very low	45.7	Very low	131 Å²	131	128.2 Å²	128.2	79%	0.794	76%	0.759	S	S	*	*			trans	-64.6	122.5	168.6	-176.9	0	0	0	0	106.4	P384 T388	P384-V386 PolarHBondContact O-N 2.69Å; P384-V386 VanDerWaalsContact O-N 3.09Å; V386-T388 PolarHBondContact O-N 3.27Å
387	P	45.2	Very low	42.7	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	78%	0.777	S	S	*	*			trans	-67.2	131.2	175.4	-5.6	20.5	0	0	0	108.7
388	T	60.6	Low	40.3	Very low	215 Å²	215	135.7 Å²	135.7	100%	1.319	81%	0.812	S	S	*	*			trans	-56.4	0	175.3	45.1	0	0	0	0	113.8	V386	V386-T388 PolarHBondContact O-N 3.27Å

Retrieved 388 of 388 residues in 740.2 ms (Link to these results)

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