A0A087XE26_POEFO Loading...

Tripartite motif-containing protein 2

AlphaFold DB , UniProt , Accession A0A087XE26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 793 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	33.8	Very low	33.7	Very low	239 Å²	239	124.6 Å²	124.6	100%	1.177	74%	0.743	S	S	*	*				0	97.3	0	-60.1	169.6	-176.8	0	0	104.7
2	A	27.4	Very low	34.9	Very low	86 Å²	86	121.4 Å²	121.4	71%	0.711	73%	0.725	S	S	*	*				77.3	125.1	56.8	0	0	0	0	0	111.9
3	T	29.3	Very low	35.9	Very low	135 Å²	135	115.7 Å²	115.7	83%	0.828	69%	0.691	S	S	*	*			trans	61.5	133.6	163.8	48.6	0	0	0	0	116.8
4	E	26.5	Very low	36.6	Very low	188 Å²	188	111.1 Å²	111.1	88%	0.879	67%	0.666	S	S	*	*			cis	-138.2	162.6	8	-61.6	-175.9	135.4	0	0	111.9
5	S	28.7	Very low	37.4	Very low	113 Å²	113	112 Å²	112	79%	0.79	66%	0.661	S	S	*	*			trans	-109.1	101.8	175.7	55.4	0	0	0	0	111.5	T7	S5-T7 PolarHBondContact O-N 3.08Å
6	S	30.1	Very low	38.4	Very low	111 Å²	111	108.9 Å²	108.9	78%	0.776	64%	0.639	S	S	*	*			trans	-79	110	-179.4	57.2	0	0	0	0	112.7	I8	S6-I8 PolarHBondContact O-N 2.56Å
7	T	32.7	Very low	39.4	Very low	125 Å²	125	104.6 Å²	104.6	77%	0.767	61%	0.613	S	S	*	*			trans	-73.1	103.3	174.9	31.1	0	0	0	0	111.5	S5 P9	S5-T7 PolarHBondContact O-N 3.08Å; T7-P9 WeakPolarHBondContact O-CD 3.22Å
8	I	35.9	Very low	40.2	Very low	153 Å²	153	107.7 Å²	107.7	79%	0.785	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-62.8	123.6	-179.6	-57.2	174.5	0	0	0	110.4	S6	S6-I8 PolarHBondContact O-N 2.56Å
9	P	37.1	Very low	41	Very low	62 Å²	62	109.6 Å²	109.6	40%	0.403	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-67.8	157.9	173.8	-18.1	31.5	0	0	0	112.3	T7 V13	T7-P9 WeakPolarHBondContact O-CD 3.22Å; P9-V13 HydrophobicContact CB-CB 4.43Å; P9-V13 HydrophobicContact CB-CG1 4.41Å
10	S	41.3	Very low	41.9	Very low	61 Å²	61	110.7 Å²	110.7	43%	0.427	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-53.6	138.7	173.3	171	0	0	0	0	110.9	V12 V13 C14	S10-V12 PolarHBondContact O-N 3.04Å; S10-V12 VanDerWaalsContact O-N 3.1Å; S10-V13 WeakPolarHBondContact O-CA 3.43Å; S10-V13 WeakPolarHBondContact O-CB 3.45Å; S10-V13 PolarHBondContact O-N 2.8Å; S10-C14 PolarHBondContact O-N 3.43Å
11	P	47.8	Very low	43.3	Very low	98 Å²	98	105.5 Å²	105.5	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-57.7	-30	-176.9	21.8	-33.5	0	0	0	113.2	C14 Q15	P11-C14 PolarHBondContact O-N 3.4Å; P11-Q15 WeakPolarHBondContact O-CG 3.27Å; P11-Q15 PolarHBondContact O-N 2.82Å; P11-Q15 VanDerWaalsContact O-N 3.08Å
12	V	48	Very low	45.4	Very low	86 Å²	86	96.7 Å²	96.7	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-39.8	174.3	-176.9	0	0	0	0	111.4	S10 Q15 I16	S10-V12 PolarHBondContact O-N 3.04Å; S10-V12 VanDerWaalsContact O-N 3.1Å; V12-Q15 PolarHBondContact O-N 2.91Å; V12-I16 HydrophobicContact CG1-CD1 4.12Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.23Å; V12-I16 VanDerWaalsContact O-N 3.15Å
13	V	47.7	Very low	47.8	Very low	47 Å²	47	92.6 Å²	92.6	29%	0.285	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-44.5	177.4	178.2	0	0	0	0	110.1	P9 S10 Q15 I16 D17 L90	P9-V13 HydrophobicContact CB-CB 4.43Å; P9-V13 HydrophobicContact CB-CG1 4.41Å; S10-V13 WeakPolarHBondContact O-CA 3.43Å; S10-V13 WeakPolarHBondContact O-CB 3.45Å; S10-V13 PolarHBondContact O-N 2.8Å; V13-Q15 PolarHBondContact O-N 2.72Å; V13-I16 PolarHBondContact O-N 2.83Å; V13-D17 WeakPolarHBondContact O-CB 3.46Å; V13-D17 PolarHBondContact O-N 2.86Å; V13-L90 HydrophobicContact CG1-CD1 4.4Å; V13-L90 HydrophobicContact CG1-CD2 3.79Å
14	C	46.3	Very low	50.1	Low	51 Å²	51	89.7 Å²	89.7	35%	0.345	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-27.1	176.7	-71.6	0	0	0	0	113.9	S10 P11 K18	S10-C14 PolarHBondContact O-N 3.43Å; P11-C14 PolarHBondContact O-N 3.4Å; C14-K18 WeakPolarHBondContact O-CG 3.43Å; C14-K18 PolarHBondContact O-N 3.15Å
15	Q	48.6	Very low	52.5	Low	125 Å²	125	83.7 Å²	83.7	58%	0.584	47%	0.471	S	S	*	.	H	α-helix	trans	-74.6	-46	172.3	-76.1	177.9	-36.8	0	0	111.8	P11 V12 V13 K18 Q19	P11-Q15 WeakPolarHBondContact O-CG 3.27Å; P11-Q15 PolarHBondContact O-N 2.82Å; P11-Q15 VanDerWaalsContact O-N 3.08Å; V12-Q15 PolarHBondContact O-N 2.91Å; V13-Q15 PolarHBondContact O-N 2.72Å; Q15-K18 PolarHBondContact O-N 3.25Å; Q15-Q19 WeakPolarHBondContact O-CB 3.49Å; Q15-Q19 PolarHBondContact O-N 2.79Å
16	I	53.2	Low	54.9	Low	62 Å²	62	80.6 Å²	80.6	32%	0.318	45%	0.449	S	S	.	.	H	α-helix	trans	-61.4	-46.5	178.5	-65.8	164.1	0	0	0	111	V12 V13 K18 Q19 F20 L86	V12-I16 HydrophobicContact CG1-CD1 4.12Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.23Å; V12-I16 VanDerWaalsContact O-N 3.15Å; V13-I16 PolarHBondContact O-N 2.83Å; I16-K18 VanDerWaalsContact C-N 3.29Å; I16-K18 PolarHBondContact O-N 3.01Å; I16-Q19 PolarHBondContact O-N 3.22Å; I16-F20 PolarHBondContact O-N 2.65Å; I16-L86 HydrophobicContact CG2-CD2 3.88Å
17	D	54.7	Low	57.2	Low	36 Å²	36	81.4 Å²	81.4	19%	0.193	44%	0.444	C	S	.	.	H	α-helix	trans	-59.6	-38.3	-179.3	-162.2	15.1	0	0	0	112.1	V13 R29	V13-D17 WeakPolarHBondContact O-CB 3.46Å; V13-D17 PolarHBondContact O-N 2.86Å; D17-R29 IonicContact OD1-CZ 2.74Å; D17-R29 IonicContact OD1-NE 3.13Å; D17-R29 PolarHBondContact OD1-NE 2.55Å; D17-R29 IonicContact OD1-NH2 2.68Å; D17-R29 PolarHBondContact OD1-NH2 3.11Å; D17-R29 IonicContact OD2-CZ 3.36Å; D17-R29 IonicContact OD2-NE 2.75Å; D17-R29 IonicContact OD2-NH2 3.02Å; D17-R29 PolarHBondContact OD2-NH2 3.24Å
18	K	53.8	Low	59.3	Low	160 Å²	160	80.7 Å²	80.7	70%	0.696	44%	0.436	S	S	*	.	H	α-helix	trans	-83	-24.8	179	-71.8	-173.4	175.9	-173.1	0	115.3	C14 Q15 I16	C14-K18 WeakPolarHBondContact O-CG 3.43Å; C14-K18 PolarHBondContact O-N 3.15Å; Q15-K18 PolarHBondContact O-N 3.25Å; I16-K18 VanDerWaalsContact C-N 3.29Å; I16-K18 PolarHBondContact O-N 3.01Å
19	Q	56.8	Low	61.2	Low	145 Å²	145	78.6 Å²	78.6	68%	0.678	42%	0.418	S	S	*	.	H	α-helix	trans	-100.5	-27.1	-176.2	-71.1	-175.1	-23.1	0	0	114.3	Q15 I16	Q15-Q19 WeakPolarHBondContact O-CB 3.49Å; Q15-Q19 PolarHBondContact O-N 2.79Å; I16-Q19 PolarHBondContact O-N 3.22Å
20	F	59.2	Low	63	Low	131 Å²	131	77.1 Å²	77.1	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-121.9	-14.3	-170.8	-66.2	-87.1	0	0	0	114.9	I16	I16-F20 PolarHBondContact O-N 2.65Å
21	L	69.8	Low	64.5	Low	1 Å²	1	79.9 Å²	79.9	1%	0.005	41%	0.411	C	S	.	.	S	Bend	trans	-113.5	2.4	-173.3	-58.5	-178.2	0	0	0	114.9	R29 Y30 I83 L86 M87 L90	L21-R29 VanDerWaalsContact O-CA 3.29Å; L21-R29 WeakPolarHBondContact O-CA 3.44Å; L21-Y30 VanDerWaalsContact C-CE2 3.45Å; L21-Y30 WeakPolarHBondContact O-CD2 3.38Å; L21-Y30 PolarHBondContact O-N 3.28Å; L21-Y30 VanDerWaalsContact O-N 3.09Å; L21-I83 HydrophobicContact CD2-CG2 3.99Å; L21-L86 HydrophobicContact CD1-CD2 3.88Å; L21-L86 HydrophobicContact CD2-CB 4.44Å; L21-L86 HydrophobicContact CD2-CD2 4.08Å; L21-L86 HydrophobicContact CG-CD2 4.36Å; L21-M87 HydrophobicContact CB-SD 3.94Å; L21-M87 HydrophobicContact CD1-SD 3.84Å; L21-M87 HydrophobicContact CD2-CG 4.1Å; L21-M87 HydrophobicContact CD2-SD 4.18Å; L21-M87 HydrophobicContact CG-SD 4.2Å; L21-L90 HydrophobicContact CD1-CD1 3.62Å
22	I	77.7	Confident	65.7	Low	54 Å²	54	78.6 Å²	78.6	28%	0.277	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-103.1	136.9	178.4	-68.6	176.6	0	0	0	111	L27 D28 Y30	I22-L27 VanDerWaalsContact CG2-C 3.47Å; I22-L27 WeakPolarHBondContact CG2-O 3.45Å; I22-D28 WeakPolarHBondContact CA-O 3.35Å; I22-Y30 WeakPolarHBondContact O-CE2 3.48Å; I22-Y30 VanDerWaalsContact O-CZ 3.26Å; I22-Y30 PolarHBondContact O-OH 2.7Å
23	C	79.2	Confident	67.2	Low	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.376	C	S	.	.			trans	-86.2	126.4	176.6	177.5	0	0	0	0	112	I25 C26 L27 D28 Y30 C43	C23-I25 PolarHBondContact O-N 2.84Å; C23-C26 PolarHBondContact O-N 3.2Å; C23-L27 WeakPolarHBondContact O-CA 3.44Å; C23-L27 PolarHBondContact O-N 3.5Å; C23-D28 PolarHBondContact N-O 2.93Å; C23-Y30 HydrophobicContact CB-CD1 3.62Å; C23-Y30 HydrophobicContact CB-CE1 3.47Å; C23-Y30 VanDerWaalsContact CB-CE1 3.47Å; C23-Y30 HydrophobicContact CB-CG 4.43Å; C23-C43 WeakPolarHBondContact CB-SG 3.44Å; C23-C43 PolarHBondContact SG-N 2.95Å; C23-C43 VanDerWaalsContact SG-N 3.36Å; C23-C43 VanDerWaalsContact SG-SG 3.69Å
24	S	76.7	Confident	68.7	Low	75 Å²	75	73 Å²	73	52%	0.524	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	1.1	-176.6	-38.1	0	0	0	0	116.2
25	I	77.3	Confident	70.4	Confident	62 Å²	62	72 Å²	72	32%	0.318	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-49.8	178.3	-58	168.9	0	0	0	111.5	C23 F42 C46 L47 P61	C23-I25 PolarHBondContact O-N 2.84Å; I25-F42 HydrophobicContact CD1-CB 4.16Å; I25-F42 HydrophobicContact CD1-CD1 3.5Å; I25-F42 VanDerWaalsContact CD1-CD1 3.5Å; I25-F42 HydrophobicContact CD1-CE1 4.15Å; I25-F42 HydrophobicContact CD1-CG 3.99Å; I25-F42 HydrophobicContact CG1-CD1 3.74Å; I25-F42 HydrophobicContact CG1-CE1 4.12Å; I25-C46 HydrophobicContact CB-CB 3.88Å; I25-C46 HydrophobicContact CD1-CB 3.79Å; I25-C46 HydrophobicContact CG1-CB 4.44Å; I25-C46 HydrophobicContact CG2-CB 3.82Å; I25-L47 HydrophobicContact CD1-CD2 4.11Å; I25-P61 HydrophobicContact CD1-CG 4.15Å; I25-P61 HydrophobicContact CG1-CG 4.47Å
26	C	79.8	Confident	71.9	Confident	48 Å²	48	66.2 Å²	66.2	32%	0.324	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-13.1	178.2	54.9	0	0	0	0	113.7	C23 D28	C23-C26 PolarHBondContact O-N 3.2Å; C26-D28 PolarHBondContact O-N 3.24Å
27	L	78.3	Confident	73	Confident	127 Å²	127	67.5 Å²	67.5	67%	0.665	34%	0.342	S	S	*	.	S	Bend	trans	61.1	5.3	-174.2	-51.3	179.9	0	0	0	115.2	I22 C23	I22-L27 VanDerWaalsContact CG2-C 3.47Å; I22-L27 WeakPolarHBondContact CG2-O 3.45Å; C23-L27 WeakPolarHBondContact O-CA 3.44Å; C23-L27 PolarHBondContact O-N 3.5Å
28	D	76.9	Confident	74	Confident	111 Å²	111	66.7 Å²	66.7	59%	0.594	34%	0.339	S	S	*	.	S	Bend	trans	-92	168	168.9	-72.1	-50	0	0	0	113.1	I22 C23 C26	I22-D28 WeakPolarHBondContact CA-O 3.35Å; C23-D28 PolarHBondContact N-O 2.93Å; C26-D28 PolarHBondContact O-N 3.24Å
29	R	74.7	Confident	75.2	Confident	108 Å²	108	66 Å²	66	41%	0.408	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-56.4	143.5	170.4	-85.5	170.7	159.9	-165.6	2.7	112.4	D17 L21 Q31 M87	D17-R29 IonicContact OD1-CZ 2.74Å; D17-R29 IonicContact OD1-NE 3.13Å; D17-R29 PolarHBondContact OD1-NE 2.55Å; D17-R29 IonicContact OD1-NH2 2.68Å; D17-R29 PolarHBondContact OD1-NH2 3.11Å; D17-R29 IonicContact OD2-CZ 3.36Å; D17-R29 IonicContact OD2-NE 2.75Å; D17-R29 IonicContact OD2-NH2 3.02Å; D17-R29 PolarHBondContact OD2-NH2 3.24Å; L21-R29 VanDerWaalsContact O-CA 3.29Å; L21-R29 WeakPolarHBondContact O-CA 3.44Å; R29-Q31 PolarHBondContact O-N 2.81Å; R29-M87 HydrophobicContact CB-CE 4.02Å; R29-M87 HydrophobicContact CG-CE 4.22Å; R29-M87 HydrophobicContact CG-SD 4.44Å
30	Y	76.3	Confident	76.2	Confident	32 Å²	32	62.3 Å²	62.3	13%	0.125	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.8	122.6	-174.8	-73.2	-73.7	0	0	0	114.6	L21 I22 C23 P33 T41 I83	L21-Y30 VanDerWaalsContact C-CE2 3.45Å; L21-Y30 WeakPolarHBondContact O-CD2 3.38Å; L21-Y30 PolarHBondContact O-N 3.28Å; L21-Y30 VanDerWaalsContact O-N 3.09Å; I22-Y30 WeakPolarHBondContact O-CE2 3.48Å; I22-Y30 VanDerWaalsContact O-CZ 3.26Å; I22-Y30 PolarHBondContact O-OH 2.7Å; C23-Y30 HydrophobicContact CB-CD1 3.62Å; C23-Y30 HydrophobicContact CB-CE1 3.47Å; C23-Y30 VanDerWaalsContact CB-CE1 3.47Å; C23-Y30 HydrophobicContact CB-CG 4.43Å; Y30-P33 HydrophobicContact CD1-CB 4.08Å; Y30-P33 HydrophobicContact CG-CB 4.09Å; Y30-T41 HydrophobicContact CD1-CG2 4.26Å; Y30-T41 HydrophobicContact CE1-CG2 3.95Å; Y30-T41 WeakPolarHBondContact CE1-O 3.18Å; Y30-T41 PolarHBondContact OH-O 3.41Å; Y30-I83 HydrophobicContact CD2-CD1 4.41Å; Y30-I83 HydrophobicContact CD2-CG2 3.65Å; Y30-I83 HydrophobicContact CE2-CD1 4.04Å; Y30-I83 HydrophobicContact CE2-CG2 4.29Å; Y30-I83 HydrophobicContact CG-CG2 4.22Å
31	Q	72.5	Confident	77.3	Confident	119 Å²	119	56.5 Å²	56.5	56%	0.556	30%	0.3	S	S	*	.	S	Bend	trans	-103.5	116.2	165.4	-67	-173	5.9	0	0	110.2	R29 C43 E44	R29-Q31 PolarHBondContact O-N 2.81Å; Q31-C43 PolarHBondContact N-SG 3.24Å; Q31-C43 VanDerWaalsContact O-CA 3.27Å; Q31-C43 WeakPolarHBondContact O-CA 3.23Å; Q31-C43 VanDerWaalsContact O-CB 3.32Å; Q31-C43 WeakPolarHBondContact O-CB 3.32Å; Q31-E44 PolarHBondContact O-N 2.95Å
32	N	72.3	Confident	77.9	Confident	70 Å²	70	56.5 Å²	56.5	37%	0.374	30%	0.3	S	S	.	.	S	Bend	trans	44.8	72.4	-171.7	-156.7	21.2	0	0	0	112.8	K34 E44 N79	N32-K34 PolarHBondContact O-N 2.84Å; N32-E44 HydrophobicContact CB-CB 4.17Å; N32-E44 PolarHBondContact ND2-OE2 2.96Å; N32-E44 PolarHBondContact O-N 3.27Å; N32-E44 VanDerWaalsContact O-N 3.11Å; N32-N79 PolarHBondContact OD1-ND2 2.96Å
33	P	79.5	Confident	78.2	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	117.8	-174.4	23.9	-32.3	0	0	0	112.4	Y30 T41 F42 N79 N80 I83	Y30-P33 HydrophobicContact CD1-CB 4.08Å; Y30-P33 HydrophobicContact CG-CB 4.09Å; P33-T41 HydrophobicContact CB-CG2 3.48Å; P33-T41 VanDerWaalsContact CB-CG2 3.48Å; P33-F42 WeakPolarHBondContact CA-O 3.13Å; P33-N79 CarbonylContact O-C 3.58Å; P33-N79 VanDerWaalsContact O-CA 3.29Å; P33-N79 WeakPolarHBondContact O-CA 3.38Å; P33-N80 HydrophobicContact CB-CB 4.06Å; P33-N80 HydrophobicContact CG-CB 4.34Å; P33-N80 PolarHBondContact O-N 2.97Å; P33-I83 HydrophobicContact CB-CG2 4.32Å; P33-I83 HydrophobicContact CG-CG2 4.18Å
34	K	80.2	Confident	78.3	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.2	173.7	-64.9	-55.5	-159.2	172.4	0	111.1	N32 T41 F42 E44 L47 V74 A75 L77 N79	N32-K34 PolarHBondContact O-N 2.84Å; K34-T41 VanDerWaalsContact O-CA 3.29Å; K34-T41 WeakPolarHBondContact O-CA 3.44Å; K34-F42 PolarHBondContact N-O 3.14Å; K34-F42 PolarHBondContact O-N 2.86Å; K34-E44 HydrophobicContact CG-CB 3.9Å; K34-E44 HydrophobicContact CG-CG 4.2Å; K34-L47 HydrophobicContact CB-CD1 4.11Å; K34-V74 WeakPolarHBondContact CE-O 3.49Å; K34-V74 HydrophobicContact CG-CG1 4.39Å; K34-A75 PolarHBondContact NZ-O 3.49Å; K34-L77 HydrophobicContact CB-CB 4.15Å; K34-L77 HydrophobicContact CB-CD1 4.41Å; K34-L77 HydrophobicContact CD-CB 4.15Å; K34-L77 WeakPolarHBondContact CD-O 3.47Å; K34-L77 HydrophobicContact CG-CB 4.39Å; K34-L77 PolarHBondContact NZ-O 3.47Å; K34-N79 WeakPolarHBondContact CD-OD1 3.43Å; K34-N79 WeakPolarHBondContact CE-OD1 3.11Å; K34-N79 PolarHBondContact NZ-OD1 3.23Å
35	V	81.9	Confident	78.5	Confident	30 Å²	30	60 Å²	60	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.3	175.6	-171.8	0	0	0	0	109.9	Q78 N80	V35-Q78 PolarHBondContact N-O 3.01Å; V35-N80 HydrophobicContact CG2-CB 3.41Å; V35-N80 VanDerWaalsContact CG2-CB 3.41Å
36	L	79.3	Confident	78.6	Confident	3 Å²	3	58 Å²	58	2%	0.016	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-91	158.8	168.8	-62	-174.7	0	0	0	111.3	C38 L39 H40 F42 L47 L58 C60 L77	L36-C38 VanDerWaalsContact CB-SG 3.52Å; L36-C38 PolarHBondContact O-N 2.75Å; L36-L39 WeakPolarHBondContact O-CA 3.28Å; L36-L39 PolarHBondContact O-N 3.31Å; L36-H40 PolarHBondContact N-O 2.85Å; L36-F42 HydrophobicContact CD1-CD2 3.94Å; L36-F42 HydrophobicContact CD1-CE2 3.66Å; L36-F42 HydrophobicContact CG-CD2 4.21Å; L36-F42 HydrophobicContact CG-CE2 4.3Å; L36-L47 HydrophobicContact CD2-CD1 4.03Å; L36-L58 HydrophobicContact CD1-CD2 3.56Å; L36-L58 HydrophobicContact CD2-CD1 4.09Å; L36-L58 HydrophobicContact CD2-CD2 3.75Å; L36-L58 HydrophobicContact CG-CD2 4.29Å; L36-C60 HydrophobicContact CD1-CB 3.79Å; L36-L77 HydrophobicContact CD2-CD1 3.85Å
37	P	76.1	Confident	78.5	Confident	89 Å²	89	55.8 Å²	55.8	58%	0.578	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.3	173.2	-27.6	37.1	0	0	0	114.8	L39	P37-L39 VanDerWaalsContact C-N 3.26Å; P37-L39 PolarHBondContact O-N 2.94Å
38	C	76.7	Confident	78.5	Confident	19 Å²	19	53.9 Å²	53.9	13%	0.128	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	17.8	171.6	66.4	0	0	0	0	114.3	L36 H40 C60 C63 Q65	L36-C38 VanDerWaalsContact CB-SG 3.52Å; L36-C38 PolarHBondContact O-N 2.75Å; C38-H40 PolarHBondContact O-N 2.99Å; C38-H40 PolarHBondContact O-ND1 3.28Å; C38-C60 VanDerWaalsContact SG-CB 3.55Å; C38-C63 VanDerWaalsContact CB-SG 3.53Å; C38-C63 VanDerWaalsContact SG-SG 3.63Å; C38-Q65 HydrophobicContact CB-CB 4.19Å; C38-Q65 HydrophobicContact CB-CG 4.45Å
39	L	77.4	Confident	78.4	Confident	145 Å²	145	55.5 Å²	55.5	76%	0.759	27%	0.273	S	S	*	.	S	Bend	trans	59.6	-10.2	-178.8	-54.6	-179.8	0	0	0	117.5	L36 P37	L36-L39 WeakPolarHBondContact O-CA 3.28Å; L36-L39 PolarHBondContact O-N 3.31Å; P37-L39 VanDerWaalsContact C-N 3.26Å; P37-L39 PolarHBondContact O-N 2.94Å
40	H	78.6	Confident	78.5	Confident	67 Å²	67	55.7 Å²	55.7	31%	0.31	27%	0.274	S	S	.	.			trans	-63	141.3	170.3	-66	85.4	0	0	0	111.2	L36 C38 F42 V62	L36-H40 PolarHBondContact N-O 2.85Å; C38-H40 PolarHBondContact O-N 2.99Å; C38-H40 PolarHBondContact O-ND1 3.28Å; H40-F42 HydrophobicContact CB-CE2 3.62Å; H40-F42 HydrophobicContact CB-CZ 3.96Å; H40-V62 VanDerWaalsContact NE2-CG1 3.34Å; H40-V62 WeakPolarHBondContact NE2-CG1 3.41Å
41	T	81.3	Confident	78.4	Confident	10 Å²	10	55.5 Å²	55.5	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.4	-176.4	-59.7	0	0	0	0	110.4	Y30 P33 K34 N80 I83	Y30-T41 HydrophobicContact CD1-CG2 4.26Å; Y30-T41 HydrophobicContact CE1-CG2 3.95Å; Y30-T41 WeakPolarHBondContact CE1-O 3.18Å; Y30-T41 PolarHBondContact OH-O 3.41Å; P33-T41 HydrophobicContact CB-CG2 3.48Å; P33-T41 VanDerWaalsContact CB-CG2 3.48Å; K34-T41 VanDerWaalsContact O-CA 3.29Å; K34-T41 WeakPolarHBondContact O-CA 3.44Å; T41-N80 HydrophobicContact CG2-CB 3.83Å; T41-N80 PolarHBondContact OG1-ND2 2.88Å; T41-I83 HydrophobicContact CG2-CD1 4.07Å
42	F	83.1	Confident	78.1	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.6	-179	-59.1	-81	0	0	0	111.1	I25 P33 K34 L36 H40 L47 P61 V62	I25-F42 HydrophobicContact CD1-CB 4.16Å; I25-F42 HydrophobicContact CD1-CD1 3.5Å; I25-F42 VanDerWaalsContact CD1-CD1 3.5Å; I25-F42 HydrophobicContact CD1-CE1 4.15Å; I25-F42 HydrophobicContact CD1-CG 3.99Å; I25-F42 HydrophobicContact CG1-CD1 3.74Å; I25-F42 HydrophobicContact CG1-CE1 4.12Å; P33-F42 WeakPolarHBondContact CA-O 3.13Å; K34-F42 PolarHBondContact N-O 3.14Å; K34-F42 PolarHBondContact O-N 2.86Å; L36-F42 HydrophobicContact CD1-CD2 3.94Å; L36-F42 HydrophobicContact CD1-CE2 3.66Å; L36-F42 HydrophobicContact CG-CD2 4.21Å; L36-F42 HydrophobicContact CG-CE2 4.3Å; H40-F42 HydrophobicContact CB-CE2 3.62Å; H40-F42 HydrophobicContact CB-CZ 3.96Å; F42-L47 HydrophobicContact CB-CD1 4Å; F42-L47 HydrophobicContact CB-CD2 3.67Å; F42-L47 HydrophobicContact CB-CG 3.64Å; F42-L47 HydrophobicContact CD2-CD1 4.46Å; F42-L47 HydrophobicContact CD2-CD2 3.84Å; F42-L47 HydrophobicContact CD2-CG 4.5Å; F42-L47 HydrophobicContact CG-CD2 3.81Å; F42-L47 HydrophobicContact CG-CG 4.33Å; F42-P61 HydrophobicContact CE1-CB 4.43Å; F42-P61 HydrophobicContact CE1-CG 4.25Å; F42-P61 HydrophobicContact CZ-CB 4.4Å; F42-P61 HydrophobicContact CZ-CG 4.18Å; F42-V62 HydrophobicContact CE1-CG2 4.15Å; F42-V62 HydrophobicContact CZ-CG2 3.87Å
43	C	84.1	Confident	77.3	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.4	170.1	-57.1	0	0	0	0	110.4	C23 Q31 R45 C46 L47	C23-C43 WeakPolarHBondContact CB-SG 3.44Å; C23-C43 PolarHBondContact SG-N 2.95Å; C23-C43 VanDerWaalsContact SG-N 3.36Å; C23-C43 VanDerWaalsContact SG-SG 3.69Å; Q31-C43 PolarHBondContact N-SG 3.24Å; Q31-C43 VanDerWaalsContact O-CA 3.27Å; Q31-C43 WeakPolarHBondContact O-CA 3.23Å; Q31-C43 VanDerWaalsContact O-CB 3.32Å; Q31-C43 WeakPolarHBondContact O-CB 3.32Å; C43-R45 VanDerWaalsContact C-N 3.34Å; C43-R45 PolarHBondContact O-N 3.03Å; C43-C46 HydrophobicContact CB-CB 4.01Å; C43-C46 WeakPolarHBondContact O-CB 3.13Å; C43-C46 PolarHBondContact O-N 3.31Å; C43-L47 PolarHBondContact O-N 2.82Å; C43-L47 VanDerWaalsContact O-N 3.11Å
44	E	81.7	Confident	76.3	Confident	34 Å²	34	64 Å²	64	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-52.2	-49.4	-179.8	-176.2	-178.2	-159.8	0	0	112.6	Q31 N32 K34 C46 L47 Q48 V74 A75	Q31-E44 PolarHBondContact O-N 2.95Å; N32-E44 HydrophobicContact CB-CB 4.17Å; N32-E44 PolarHBondContact ND2-OE2 2.96Å; N32-E44 PolarHBondContact O-N 3.27Å; N32-E44 VanDerWaalsContact O-N 3.11Å; K34-E44 HydrophobicContact CG-CB 3.9Å; K34-E44 HydrophobicContact CG-CG 4.2Å; E44-C46 VanDerWaalsContact C-N 3.28Å; E44-C46 PolarHBondContact O-N 3.34Å; E44-L47 PolarHBondContact O-N 2.97Å; E44-Q48 HydrophobicContact CG-CG 4.43Å; E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.37Å; E44-Q48 PolarHBondContact OE1-NE2 2.81Å; E44-V74 HydrophobicContact CG-CG1 4.01Å; E44-A75 VanDerWaalsContact OE1-CA 3.29Å; E44-A75 WeakPolarHBondContact OE1-CA 3.37Å; E44-A75 WeakPolarHBondContact OE1-CB 3.25Å
45	R	79.6	Confident	75.5	Confident	164 Å²	164	65.5 Å²	65.5	62%	0.619	35%	0.346	S	S	*	.	H	α-helix	trans	-60	-35.3	177.7	-69.5	175.8	173.3	161.5	-6.7	112.9	C43 Q48 N49	C43-R45 VanDerWaalsContact C-N 3.34Å; C43-R45 PolarHBondContact O-N 3.03Å; R45-Q48 PolarHBondContact O-N 2.85Å; R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 VanDerWaalsContact O-CG 3.27Å; R45-N49 PolarHBondContact O-N 2.84Å
46	C	80.7	Confident	74.8	Confident	21 Å²	21	70 Å²	70	14%	0.142	37%	0.369	C	S	.	.	H	α-helix	trans	-70.2	-36.8	178.3	-66.9	0	0	0	0	111.8	I25 C43 E44 Y50	I25-C46 HydrophobicContact CB-CB 3.88Å; I25-C46 HydrophobicContact CD1-CB 3.79Å; I25-C46 HydrophobicContact CG1-CB 4.44Å; I25-C46 HydrophobicContact CG2-CB 3.82Å; C43-C46 HydrophobicContact CB-CB 4.01Å; C43-C46 WeakPolarHBondContact O-CB 3.13Å; C43-C46 PolarHBondContact O-N 3.31Å; E44-C46 VanDerWaalsContact C-N 3.28Å; E44-C46 PolarHBondContact O-N 3.34Å; C46-Y50 VanDerWaalsContact O-CB 3.27Å; C46-Y50 WeakPolarHBondContact O-CB 3.28Å; C46-Y50 PolarHBondContact O-N 2.73Å; C46-Y50 VanDerWaalsContact O-N 3.16Å
47	L	77.3	Confident	74.4	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-42.5	172	-67.4	-175.2	0	0	0	111.8	I25 K34 L36 F42 C43 E44 N49 Y50 I51 L58 V74 L77	I25-L47 HydrophobicContact CD1-CD2 4.11Å; K34-L47 HydrophobicContact CB-CD1 4.11Å; L36-L47 HydrophobicContact CD2-CD1 4.03Å; F42-L47 HydrophobicContact CB-CD1 4Å; F42-L47 HydrophobicContact CB-CD2 3.67Å; F42-L47 HydrophobicContact CB-CG 3.64Å; F42-L47 HydrophobicContact CD2-CD1 4.46Å; F42-L47 HydrophobicContact CD2-CD2 3.84Å; F42-L47 HydrophobicContact CD2-CG 4.5Å; F42-L47 HydrophobicContact CG-CD2 3.81Å; F42-L47 HydrophobicContact CG-CG 4.33Å; C43-L47 PolarHBondContact O-N 2.82Å; C43-L47 VanDerWaalsContact O-N 3.11Å; E44-L47 PolarHBondContact O-N 2.97Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 2.74Å; L47-Y50 PolarHBondContact O-N 3.32Å; L47-Y50 VanDerWaalsContact O-N 3.1Å; L47-I51 VanDerWaalsContact O-CD1 3.29Å; L47-I51 WeakPolarHBondContact O-CD1 3.3Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.47Å; L47-I51 PolarHBondContact O-N 2.8Å; L47-L58 HydrophobicContact CD1-CD1 4.49Å; L47-L58 HydrophobicContact CD2-CD1 4.1Å; L47-V74 HydrophobicContact CB-CG1 3.64Å; L47-V74 HydrophobicContact CB-CG2 4.29Å; L47-V74 HydrophobicContact CD1-CG1 4.12Å; L47-L77 HydrophobicContact CD1-CD1 4.06Å
48	Q	77.7	Confident	74.4	Confident	87 Å²	87	70 Å²	70	41%	0.407	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-41.1	175.9	-73	169.6	-10.8	0	0	112	E44 R45 V74	E44-Q48 HydrophobicContact CG-CG 4.43Å; E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.37Å; E44-Q48 PolarHBondContact OE1-NE2 2.81Å; R45-Q48 PolarHBondContact O-N 2.85Å; Q48-V74 HydrophobicContact CG-CB 3.88Å; Q48-V74 HydrophobicContact CG-CG1 4.15Å; Q48-V74 HydrophobicContact CG-CG2 3.98Å
49	N	76.3	Confident	74.4	Confident	146 Å²	146	71.5 Å²	71.5	78%	0.781	38%	0.378	S	S	*	.	H	α-helix	trans	-78	-17.9	177.6	-68.4	-4.4	0	0	0	114.2	R45 L47	R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 VanDerWaalsContact O-CG 3.27Å; R45-N49 PolarHBondContact O-N 2.84Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 2.74Å
50	Y	76.3	Confident	74.5	Confident	112 Å²	112	64.6 Å²	64.6	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-86.7	-23.4	-179.8	-175.1	-102	0	0	0	113	C46 L47 P61	C46-Y50 VanDerWaalsContact O-CB 3.27Å; C46-Y50 WeakPolarHBondContact O-CB 3.28Å; C46-Y50 PolarHBondContact O-N 2.73Å; C46-Y50 VanDerWaalsContact O-N 3.16Å; L47-Y50 PolarHBondContact O-N 3.32Å; L47-Y50 VanDerWaalsContact O-N 3.1Å; Y50-P61 HydrophobicContact CD1-CG 4.16Å; Y50-P61 HydrophobicContact CE1-CG 3.81Å; Y50-P61 HydrophobicContact CE2-CG 4.28Å
51	I	73.4	Confident	74.4	Confident	28 Å²	28	63.4 Å²	63.4	14%	0.144	34%	0.34	C	S	.	.	S	Bend	trans	-92.6	124.2	-175.8	-62	160.5	0	0	0	109.9	L47 A53 S55 L58 L69 V74	L47-I51 VanDerWaalsContact O-CD1 3.29Å; L47-I51 WeakPolarHBondContact O-CD1 3.3Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.47Å; L47-I51 PolarHBondContact O-N 2.8Å; I51-A53 PolarHBondContact O-N 3.22Å; I51-S55 WeakPolarHBondContact CG2-OG 3.44Å; I51-L58 HydrophobicContact CD1-CD1 3.72Å; I51-L58 HydrophobicContact CG1-CD1 3.98Å; I51-L69 HydrophobicContact CD1-CD1 4.11Å; I51-L69 HydrophobicContact CD1-CD2 4.32Å; I51-L69 HydrophobicContact CG2-CD1 4.18Å; I51-V74 HydrophobicContact CD1-CG2 3.25Å
52	P	66.1	Low	74.3	Confident	94 Å²	94	66.5 Å²	66.5	61%	0.61	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.3	137	171.4	-23.6	34.2	0	0	0	111.8	H54 S55	P52-H54 PolarHBondContact O-N 2.9Å; P52-S55 WeakPolarHBondContact O-CB 3.25Å; P52-S55 PolarHBondContact O-N 3.08Å; P52-S55 VanDerWaalsContact O-N 3.09Å; P52-S55 PolarHBondContact O-OG 3.24Å
53	A	57	Low	73.9	Confident	88 Å²	88	69 Å²	69	73%	0.727	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	132.3	-180	0	0	0	0	0	111.7	I51 S55	I51-A53 PolarHBondContact O-N 3.22Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 3.49Å
54	H	58.1	Low	73.7	Confident	192 Å²	192	78.9 Å²	78.9	89%	0.889	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	9.5	-179.2	-41.5	-27.1	0	0	0	116.6	P52	P52-H54 PolarHBondContact O-N 2.9Å
55	S	63.3	Low	73.5	Confident	41 Å²	41	82.2 Å²	82.2	29%	0.287	43%	0.428	S	S	.	.			trans	-79	130.3	169.9	60.1	0	0	0	0	112.3	I51 P52 A53 L69	I51-S55 WeakPolarHBondContact CG2-OG 3.44Å; P52-S55 WeakPolarHBondContact O-CB 3.25Å; P52-S55 PolarHBondContact O-N 3.08Å; P52-S55 VanDerWaalsContact O-N 3.09Å; P52-S55 PolarHBondContact O-OG 3.24Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 3.49Å; S55-L69 WeakPolarHBondContact O-CD1 3.42Å
56	L	66.3	Low	73.3	Confident	125 Å²	125	79.4 Å²	79.4	65%	0.654	43%	0.429	S	S	*	.	S	Bend	trans	-88.5	-3.2	-177.9	-72.4	168	0	0	0	113.9	L69	L56-L69 PolarHBondContact O-N 3.25Å
57	T	71.3	Confident	73	Confident	87 Å²	87	79.3 Å²	79.3	53%	0.534	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.9	-175	55	0	0	0	0	110.4	S67	T57-S67 WeakPolarHBondContact CA-O 3.07Å
58	L	75.8	Confident	72.8	Confident	4 Å²	4	86 Å²	86	2%	0.021	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.3	171.6	168.7	150.4	0	0	0	109.6	L36 L47 I51 T66 S67 L69	L36-L58 HydrophobicContact CD1-CD2 3.56Å; L36-L58 HydrophobicContact CD2-CD1 4.09Å; L36-L58 HydrophobicContact CD2-CD2 3.75Å; L36-L58 HydrophobicContact CG-CD2 4.29Å; L47-L58 HydrophobicContact CD1-CD1 4.49Å; L47-L58 HydrophobicContact CD2-CD1 4.1Å; I51-L58 HydrophobicContact CD1-CD1 3.72Å; I51-L58 HydrophobicContact CG1-CD1 3.98Å; L58-T66 CarbonylContact O-C 3.55Å; L58-T66 VanDerWaalsContact O-CA 3.31Å; L58-T66 WeakPolarHBondContact O-CA 3.28Å; L58-S67 PolarHBondContact N-O 3.48Å; L58-S67 PolarHBondContact O-N 2.82Å; L58-L69 HydrophobicContact CB-CD1 4.26Å; L58-L69 HydrophobicContact CB-CD2 4.14Å; L58-L69 HydrophobicContact CB-CG 4.15Å
59	S	77.8	Confident	72.4	Confident	51 Å²	51	82.7 Å²	82.7	36%	0.357	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.4	161.2	48.9	0	0	0	0	109.6	P61	S59-P61 WeakPolarHBondContact O-CD 3.41Å
60	C	78.3	Confident	71.8	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.007	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-66.5	128.4	176.3	176.1	0	0	0	0	110.9	L36 C38 V62 C63 R64 Q65	L36-C60 HydrophobicContact CD1-CB 3.79Å; C38-C60 VanDerWaalsContact SG-CB 3.55Å; C60-V62 PolarHBondContact O-N 2.82Å; C60-V62 VanDerWaalsContact O-N 3.14Å; C60-V62 PolarHBondContact SG-N 2.93Å; C60-C63 VanDerWaalsContact CB-SG 3.58Å; C60-R64 WeakPolarHBondContact O-CA 3.46Å; C60-R64 PolarHBondContact O-N 3.28Å; C60-Q65 PolarHBondContact N-O 2.84Å
61	P	77.3	Confident	71	Confident	41 Å²	41	82.7 Å²	82.7	27%	0.266	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.5	178.2	-26.8	33.8	0	0	0	114.7	I25 F42 Y50 S59	I25-P61 HydrophobicContact CD1-CG 4.15Å; I25-P61 HydrophobicContact CG1-CG 4.47Å; F42-P61 HydrophobicContact CE1-CB 4.43Å; F42-P61 HydrophobicContact CE1-CG 4.25Å; F42-P61 HydrophobicContact CZ-CB 4.4Å; F42-P61 HydrophobicContact CZ-CG 4.18Å; Y50-P61 HydrophobicContact CD1-CG 4.16Å; Y50-P61 HydrophobicContact CE1-CG 3.81Å; Y50-P61 HydrophobicContact CE2-CG 4.28Å; S59-P61 WeakPolarHBondContact O-CD 3.41Å
62	V	77.8	Confident	70.3	Confident	75 Å²	75	91.8 Å²	91.8	46%	0.455	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-55.6	-174.5	177.9	0	0	0	0	112	H40 F42 C60	H40-V62 VanDerWaalsContact NE2-CG1 3.34Å; H40-V62 WeakPolarHBondContact NE2-CG1 3.41Å; F42-V62 HydrophobicContact CE1-CG2 4.15Å; F42-V62 HydrophobicContact CZ-CG2 3.87Å; C60-V62 PolarHBondContact O-N 2.82Å; C60-V62 VanDerWaalsContact O-N 3.14Å; C60-V62 PolarHBondContact SG-N 2.93Å
63	C	76.4	Confident	70.4	Confident	55 Å²	55	88.5 Å²	88.5	37%	0.372	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.1	-176.2	68.2	0	0	0	0	115	C38 C60 Q65	C38-C63 VanDerWaalsContact CB-SG 3.53Å; C38-C63 VanDerWaalsContact SG-SG 3.63Å; C60-C63 VanDerWaalsContact CB-SG 3.58Å; C63-Q65 PolarHBondContact O-N 3.35Å
64	R	78.2	Confident	70.9	Confident	210 Å²	210	84.8 Å²	84.8	79%	0.792	44%	0.436	S	S	*	.			trans	58.9	0.7	-178.4	-56.3	-176.5	-178	-178	0.5	116.6	C60 T66	C60-R64 WeakPolarHBondContact O-CA 3.46Å; C60-R64 PolarHBondContact O-N 3.28Å; R64-T66 PolarHBondContact O-N 3.46Å
65	Q	77.8	Confident	71.2	Confident	105 Å²	105	78.1 Å²	78.1	49%	0.491	42%	0.415	S	S	.	.			trans	-55.9	130	174.1	-175.8	175.3	-6.2	0	0	110.4	C38 C60 C63	C38-Q65 HydrophobicContact CB-CB 4.19Å; C38-Q65 HydrophobicContact CB-CG 4.45Å; C60-Q65 PolarHBondContact N-O 2.84Å; C63-Q65 PolarHBondContact O-N 3.35Å
66	T	76.1	Confident	71.4	Confident	104 Å²	104	78.5 Å²	78.5	64%	0.638	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.2	176.1	44.4	0	0	0	0	110.9	L58 R64	L58-T66 CarbonylContact O-C 3.55Å; L58-T66 VanDerWaalsContact O-CA 3.31Å; L58-T66 WeakPolarHBondContact O-CA 3.28Å; R64-T66 PolarHBondContact O-N 3.46Å
67	S	73.6	Confident	71.7	Confident	19 Å²	19	73.5 Å²	73.5	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.2	174	60.1	0	0	0	0	110.6	T57 L58	T57-S67 WeakPolarHBondContact CA-O 3.07Å; L58-S67 PolarHBondContact N-O 3.48Å; L58-S67 PolarHBondContact O-N 2.82Å
68	I	74.4	Confident	71.7	Confident	142 Å²	142	76.9 Å²	76.9	73%	0.728	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	135	176.1	-56.2	174.3	0	0	0	108.4
69	L	67.7	Low	71.5	Confident	17 Å²	17	78.9 Å²	78.9	9%	0.089	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-81.9	138.9	177.3	-72.1	160.8	0	0	0	110.2	I51 S55 L56 L58	I51-L69 HydrophobicContact CD1-CD1 4.11Å; I51-L69 HydrophobicContact CD1-CD2 4.32Å; I51-L69 HydrophobicContact CG2-CD1 4.18Å; S55-L69 WeakPolarHBondContact O-CD1 3.42Å; L56-L69 PolarHBondContact O-N 3.25Å; L58-L69 HydrophobicContact CB-CD1 4.26Å; L58-L69 HydrophobicContact CB-CD2 4.14Å; L58-L69 HydrophobicContact CB-CG 4.15Å
70	P	65.7	Low	71.2	Confident	56 Å²	56	77.8 Å²	77.8	36%	0.364	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.8	161	169.6	-18.2	31	0	0	0	111.6	R72 G73 A76	P70-R72 PolarHBondContact O-N 3.47Å; P70-G73 WeakPolarHBondContact O-CA 3.35Å; P70-G73 PolarHBondContact O-N 3.04Å; P70-A76 HydrophobicContact CB-CB 3.85Å; P70-A76 HydrophobicContact CG-CB 4.12Å
71	E	59.5	Low	70.6	Confident	201 Å²	201	83.8 Å²	83.8	94%	0.939	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.4	-174.3	-60.2	-177.8	154.5	0	0	114.9	G73	E71-G73 VanDerWaalsContact C-N 3.31Å
72	R	57.5	Low	70	Confident	219 Å²	219	88.9 Å²	88.9	83%	0.826	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	15.4	175.7	-54.3	-177.7	-176	-176.7	1.4	113.4	P70 A76	P70-R72 PolarHBondContact O-N 3.47Å; R72-A76 HydrophobicContact CB-CB 4.02Å
73	G	68.3	Low	69.4	Low	25 Å²	25	86.2 Å²	86.2	26%	0.258	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	62.8	-151.7	179.2	0	0	0	0	0	114	P70 E71 A75 A76	P70-G73 WeakPolarHBondContact O-CA 3.35Å; P70-G73 PolarHBondContact O-N 3.04Å; E71-G73 VanDerWaalsContact C-N 3.31Å; G73-A75 PolarHBondContact O-N 2.91Å; G73-A75 VanDerWaalsContact O-N 3.11Å; G73-A76 PolarHBondContact O-N 2.92Å; G73-A76 VanDerWaalsContact O-N 3.09Å
74	V	67.9	Low	68.9	Low	11 Å²	11	85.7 Å²	85.7	7%	0.067	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-53	-33.7	-176.8	-173.7	0	0	0	0	113.1	K34 E44 L47 Q48 I51 A76 L77	K34-V74 WeakPolarHBondContact CE-O 3.49Å; K34-V74 HydrophobicContact CG-CG1 4.39Å; E44-V74 HydrophobicContact CG-CG1 4.01Å; L47-V74 HydrophobicContact CB-CG1 3.64Å; L47-V74 HydrophobicContact CB-CG2 4.29Å; L47-V74 HydrophobicContact CD1-CG1 4.12Å; Q48-V74 HydrophobicContact CG-CB 3.88Å; Q48-V74 HydrophobicContact CG-CG1 4.15Å; Q48-V74 HydrophobicContact CG-CG2 3.98Å; I51-V74 HydrophobicContact CD1-CG2 3.25Å; V74-A76 PolarHBondContact O-N 3.46Å; V74-L77 HydrophobicContact CG1-CD1 4.1Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.15Å; V74-L77 VanDerWaalsContact O-N 3.08Å
75	A	63.8	Low	68.3	Low	52 Å²	52	80 Å²	80	43%	0.43	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.8	-177.9	0	0	0	0	0	113.2	K34 E44 G73	K34-A75 PolarHBondContact NZ-O 3.49Å; E44-A75 VanDerWaalsContact OE1-CA 3.29Å; E44-A75 WeakPolarHBondContact OE1-CA 3.37Å; E44-A75 WeakPolarHBondContact OE1-CB 3.25Å; G73-A75 PolarHBondContact O-N 2.91Å; G73-A75 VanDerWaalsContact O-N 3.11Å
76	A	67.4	Low	67.7	Low	49 Å²	49	77.3 Å²	77.3	41%	0.405	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-87.8	-1.6	177.9	0	0	0	0	0	114.8	P70 R72 G73 V74	P70-A76 HydrophobicContact CB-CB 3.85Å; P70-A76 HydrophobicContact CG-CB 4.12Å; R72-A76 HydrophobicContact CB-CB 4.02Å; G73-A76 PolarHBondContact O-N 2.92Å; G73-A76 VanDerWaalsContact O-N 3.09Å; V74-A76 PolarHBondContact O-N 3.46Å
77	L	72.4	Confident	67	Low	19 Å²	19	73.5 Å²	73.5	10%	0.099	38%	0.377	C	S	.	.	S	Bend	trans	-65.5	146.2	167.4	-66.2	169.3	0	0	0	110	K34 L36 L47 V74	K34-L77 HydrophobicContact CB-CB 4.15Å; K34-L77 HydrophobicContact CB-CD1 4.41Å; K34-L77 HydrophobicContact CD-CB 4.15Å; K34-L77 WeakPolarHBondContact CD-O 3.47Å; K34-L77 HydrophobicContact CG-CB 4.39Å; K34-L77 PolarHBondContact NZ-O 3.47Å; L36-L77 HydrophobicContact CD2-CD1 3.85Å; L47-L77 HydrophobicContact CD1-CD1 4.06Å; V74-L77 HydrophobicContact CG1-CD1 4.1Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.15Å; V74-L77 VanDerWaalsContact O-N 3.08Å
78	Q	71.4	Confident	66.5	Low	159 Å²	159	75.5 Å²	75.5	74%	0.743	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-65.4	140.3	180	-69.2	-177.2	-11.1	0	0	111.2	V35	V35-Q78 PolarHBondContact N-O 3.01Å
79	N	71.9	Confident	65.9	Low	46 Å²	46	73.7 Å²	73.7	25%	0.246	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-75.1	141.7	173.8	-77.6	18.1	0	0	0	110.2	N32 P33 K34 F81	N32-N79 PolarHBondContact OD1-ND2 2.96Å; P33-N79 CarbonylContact O-C 3.58Å; P33-N79 VanDerWaalsContact O-CA 3.29Å; P33-N79 WeakPolarHBondContact O-CA 3.38Å; K34-N79 WeakPolarHBondContact CD-OD1 3.43Å; K34-N79 WeakPolarHBondContact CE-OD1 3.11Å; K34-N79 PolarHBondContact NZ-OD1 3.23Å; N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 HydrophobicContact CB-CE1 4.41Å; N79-F81 HydrophobicContact CB-CE2 4.16Å; N79-F81 HydrophobicContact CB-CZ 4.1Å; N79-F81 WeakPolarHBondContact O-CD2 3.49Å; N79-F81 PolarHBondContact O-N 3.37Å
80	N	72.1	Confident	65.5	Low	28 Å²	28	75.9 Å²	75.9	15%	0.15	39%	0.392	C	S	.	.			trans	-79	79.9	173.9	-162.4	-37.2	0	0	0	110.7	P33 V35 T41 F82 I83 T84	P33-N80 HydrophobicContact CB-CB 4.06Å; P33-N80 HydrophobicContact CG-CB 4.34Å; P33-N80 PolarHBondContact O-N 2.97Å; V35-N80 HydrophobicContact CG2-CB 3.41Å; V35-N80 VanDerWaalsContact CG2-CB 3.41Å; T41-N80 HydrophobicContact CG2-CB 3.83Å; T41-N80 PolarHBondContact OG1-ND2 2.88Å; N80-F82 PolarHBondContact O-N 3.04Å; N80-F82 VanDerWaalsContact O-N 3.16Å; N80-F82 WeakPolarHBondContact OD1-CB 3.29Å; N80-F82 PolarHBondContact OD1-N 3.1Å; N80-I83 HydrophobicContact CB-CB 4.1Å; N80-I83 HydrophobicContact CB-CD1 4.45Å; N80-I83 HydrophobicContact CB-CG1 4.43Å; N80-I83 WeakPolarHBondContact ND2-CD1 3.42Å; N80-I83 PolarHBondContact O-N 3.02Å; N80-I83 PolarHBondContact OD1-N 3.48Å; N80-I83 VanDerWaalsContact OD1-N 3.07Å; N80-T84 PolarHBondContact O-N 2.82Å; N80-T84 PolarHBondContact O-OG1 3.26Å
81	F	65.5	Low	65	Low	127 Å²	127	78.7 Å²	78.7	56%	0.557	40%	0.401	S	S	*	.	H	α-helix	trans	-57.5	-28	-179.9	-64.5	-78.7	0	0	0	113.4	N79 N85	N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 HydrophobicContact CB-CE1 4.41Å; N79-F81 HydrophobicContact CB-CE2 4.16Å; N79-F81 HydrophobicContact CB-CZ 4.1Å; N79-F81 WeakPolarHBondContact O-CD2 3.49Å; N79-F81 PolarHBondContact O-N 3.37Å; F81-N85 VanDerWaalsContact O-CB 3.29Å; F81-N85 WeakPolarHBondContact O-CB 3.43Å; F81-N85 PolarHBondContact O-N 3.27Å; F81-N85 PolarHBondContact O-ND2 3.44Å
82	F	64.7	Low	64.4	Low	148 Å²	148	76.5 Å²	76.5	65%	0.649	39%	0.39	S	S	*	.	H	α-helix	trans	-65.2	-49.2	173.6	178.8	-94.4	0	0	0	111.2	N80 N85 L86	N80-F82 PolarHBondContact O-N 3.04Å; N80-F82 VanDerWaalsContact O-N 3.16Å; N80-F82 WeakPolarHBondContact OD1-CB 3.29Å; N80-F82 PolarHBondContact OD1-N 3.1Å; F82-N85 PolarHBondContact O-N 3.06Å; F82-L86 HydrophobicContact CE1-CD1 3.78Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 WeakPolarHBondContact O-CB 3.11Å; F82-L86 PolarHBondContact O-N 2.77Å
83	I	65.8	Low	63.3	Low	18 Å²	18	76 Å²	76	9%	0.092	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-40.8	176.7	-70.7	-179.2	0	0	0	111.3	L21 Y30 P33 T41 N80 L86 M87	L21-I83 HydrophobicContact CD2-CG2 3.99Å; Y30-I83 HydrophobicContact CD2-CD1 4.41Å; Y30-I83 HydrophobicContact CD2-CG2 3.65Å; Y30-I83 HydrophobicContact CE2-CD1 4.04Å; Y30-I83 HydrophobicContact CE2-CG2 4.29Å; Y30-I83 HydrophobicContact CG-CG2 4.22Å; P33-I83 HydrophobicContact CB-CG2 4.32Å; P33-I83 HydrophobicContact CG-CG2 4.18Å; T41-I83 HydrophobicContact CG2-CD1 4.07Å; N80-I83 HydrophobicContact CB-CB 4.1Å; N80-I83 HydrophobicContact CB-CD1 4.45Å; N80-I83 HydrophobicContact CB-CG1 4.43Å; N80-I83 WeakPolarHBondContact ND2-CD1 3.42Å; N80-I83 PolarHBondContact O-N 3.02Å; N80-I83 PolarHBondContact OD1-N 3.48Å; N80-I83 VanDerWaalsContact OD1-N 3.07Å; I83-L86 PolarHBondContact O-N 2.9Å; I83-M87 HydrophobicContact CG2-CG 4.47Å; I83-M87 WeakPolarHBondContact O-CB 3.46Å; I83-M87 VanDerWaalsContact O-CG 3.29Å; I83-M87 WeakPolarHBondContact O-CG 3.39Å; I83-M87 PolarHBondContact O-N 2.93Å
84	T	65.4	Low	62.1	Low	44 Å²	44	80.4 Å²	80.4	27%	0.27	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-47.4	175.8	-53.4	0	0	0	0	111.7	N80 L86 M87 D88	N80-T84 PolarHBondContact O-N 2.82Å; N80-T84 PolarHBondContact O-OG1 3.26Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 2.82Å; T84-M87 WeakPolarHBondContact O-CB 3.45Å; T84-M87 PolarHBondContact O-N 2.76Å; T84-D88 PolarHBondContact O-N 3.2Å
85	N	64.9	Low	60.6	Low	92 Å²	92	87.3 Å²	87.3	49%	0.492	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-37	177.7	-70.2	-16.1	0	0	0	112.1	F81 F82 D88 V89	F81-N85 VanDerWaalsContact O-CB 3.29Å; F81-N85 WeakPolarHBondContact O-CB 3.43Å; F81-N85 PolarHBondContact O-N 3.27Å; F81-N85 PolarHBondContact O-ND2 3.44Å; F82-N85 PolarHBondContact O-N 3.06Å; N85-D88 PolarHBondContact O-N 2.93Å; N85-V89 WeakPolarHBondContact O-CB 3.27Å; N85-V89 VanDerWaalsContact O-CG2 3.29Å; N85-V89 WeakPolarHBondContact O-CG2 3.07Å; N85-V89 PolarHBondContact O-N 2.89Å
86	L	65.3	Low	59.1	Low	48 Å²	48	91.5 Å²	91.5	25%	0.251	47%	0.469	S	S	.	.	H	α-helix	trans	-70.7	-33.4	178.8	-150	153.8	0	0	0	111.5	I16 L21 F82 I83 T84 L90	I16-L86 HydrophobicContact CG2-CD2 3.88Å; L21-L86 HydrophobicContact CD1-CD2 3.88Å; L21-L86 HydrophobicContact CD2-CB 4.44Å; L21-L86 HydrophobicContact CD2-CD2 4.08Å; L21-L86 HydrophobicContact CG-CD2 4.36Å; F82-L86 HydrophobicContact CE1-CD1 3.78Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 WeakPolarHBondContact O-CB 3.11Å; F82-L86 PolarHBondContact O-N 2.77Å; I83-L86 PolarHBondContact O-N 2.9Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 2.82Å; L86-L90 HydrophobicContact CD2-CD1 3.82Å; L86-L90 HydrophobicContact CD2-CG 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 3.29Å
87	M	61.7	Low	57.3	Low	24 Å²	24	95 Å²	95	12%	0.118	49%	0.489	C	S	.	.	H	α-helix	trans	-63.9	-46.8	168.8	-74.8	-72.8	-70.6	0	0	112.4	L21 R29 I83 T84 L90 Q91	L21-M87 HydrophobicContact CB-SD 3.94Å; L21-M87 HydrophobicContact CD1-SD 3.84Å; L21-M87 HydrophobicContact CD2-CG 4.1Å; L21-M87 HydrophobicContact CD2-SD 4.18Å; L21-M87 HydrophobicContact CG-SD 4.2Å; R29-M87 HydrophobicContact CB-CE 4.02Å; R29-M87 HydrophobicContact CG-CE 4.22Å; R29-M87 HydrophobicContact CG-SD 4.44Å; I83-M87 HydrophobicContact CG2-CG 4.47Å; I83-M87 WeakPolarHBondContact O-CB 3.46Å; I83-M87 VanDerWaalsContact O-CG 3.29Å; I83-M87 WeakPolarHBondContact O-CG 3.39Å; I83-M87 PolarHBondContact O-N 2.93Å; T84-M87 WeakPolarHBondContact O-CB 3.45Å; T84-M87 PolarHBondContact O-N 2.76Å; M87-L90 PolarHBondContact O-N 2.96Å; M87-Q91 WeakPolarHBondContact O-CG 2.94Å; M87-Q91 PolarHBondContact O-N 3.03Å; M87-Q91 PolarHBondContact O-NE2 2.92Å
88	D	63.2	Low	55.3	Low	61 Å²	61	105.1 Å²	105.1	33%	0.326	53%	0.526	S	S	.	.	H	α-helix	trans	-63.8	-43.2	-179.1	-79.2	6.1	0	0	0	111.9	T84 N85 L90 Q91 H92	T84-D88 PolarHBondContact O-N 3.2Å; N85-D88 PolarHBondContact O-N 2.93Å; D88-L90 VanDerWaalsContact C-N 3.35Å; D88-L90 PolarHBondContact O-N 2.86Å; D88-Q91 PolarHBondContact O-N 2.88Å; D88-H92 PolarHBondContact O-N 3.42Å; D88-H92 PolarHBondContact O-ND1 3Å
89	V	62.6	Low	53.1	Low	104 Å²	104	105 Å²	105	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-37.8	178.6	168.1	0	0	0	0	111.8	N85 Q91	N85-V89 WeakPolarHBondContact O-CB 3.27Å; N85-V89 VanDerWaalsContact O-CG2 3.29Å; N85-V89 WeakPolarHBondContact O-CG2 3.07Å; N85-V89 PolarHBondContact O-N 2.89Å; V89-Q91 VanDerWaalsContact C-N 3.31Å; V89-Q91 PolarHBondContact O-N 2.85Å
90	L	57.9	Low	51	Low	62 Å²	62	110.8 Å²	110.8	33%	0.325	55%	0.551	S	S	.	*	H	α-helix	trans	-77	-14	177.1	-70	-179.3	0	0	0	114.1	V13 L21 L86 M87 D88	V13-L90 HydrophobicContact CG1-CD1 4.4Å; V13-L90 HydrophobicContact CG1-CD2 3.79Å; L21-L90 HydrophobicContact CD1-CD1 3.62Å; L86-L90 HydrophobicContact CD2-CD1 3.82Å; L86-L90 HydrophobicContact CD2-CG 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 3.29Å; M87-L90 PolarHBondContact O-N 2.96Å; D88-L90 VanDerWaalsContact C-N 3.35Å; D88-L90 PolarHBondContact O-N 2.86Å
91	Q	55.3	Low	49.2	Very low	116 Å²	116	114.3 Å²	114.3	54%	0.542	58%	0.584	S	S	.	*	H	α-helix	trans	-84.9	-19.4	174.1	-74.5	169	60.1	0	0	113.1	M87 D88 V89 R93	M87-Q91 WeakPolarHBondContact O-CG 2.94Å; M87-Q91 PolarHBondContact O-N 3.03Å; M87-Q91 PolarHBondContact O-NE2 2.92Å; D88-Q91 PolarHBondContact O-N 2.88Å; V89-Q91 VanDerWaalsContact C-N 3.31Å; V89-Q91 PolarHBondContact O-N 2.85Å; Q91-R93 PolarHBondContact O-N 2.86Å
92	H	47.6	Very low	47.5	Very low	154 Å²	154	114.3 Å²	114.3	71%	0.713	59%	0.594	S	S	*	*			trans	-92	82.3	-176.6	-76.2	73.5	0	0	0	113	D88	D88-H92 PolarHBondContact O-N 3.42Å; D88-H92 PolarHBondContact O-ND1 3Å
93	R	34.3	Very low	45.8	Very low	210 Å²	210	112.6 Å²	112.6	79%	0.792	60%	0.596	S	S	*	*			trans	-124.5	120.6	156.7	-88.5	-173.5	165.2	-163.3	-6.3	109.6	Q91	Q91-R93 PolarHBondContact O-N 2.86Å
94	P	42.2	Very low	44.3	Very low	116 Å²	116	120.6 Å²	120.6	75%	0.753	64%	0.638	S	S	*	*			trans	-83.3	139.1	177.3	32.5	-33.2	0	0	0	111.9	T96	P94-T96 PolarHBondContact O-N 3.4Å
95	D	37.6	Very low	42.5	Very low	157 Å²	157	121.1 Å²	121.1	84%	0.84	64%	0.644	S	S	*	*			trans	-76.5	102.2	168.3	-72.8	-60.2	0	0	0	110.9
96	T	31	Very low	40.9	Very low	140 Å²	140	122.3 Å²	122.3	86%	0.859	65%	0.65	S	S	*	*			trans	-163.8	148	155.9	-3.3	0	0	0	0	111.1	P94	P94-T96 PolarHBondContact O-N 3.4Å
97	C	31.1	Very low	39.4	Very low	121 Å²	121	127.5 Å²	127.5	82%	0.818	68%	0.676	S	S	*	*			trans	-139.3	117.2	-176.3	174.8	0	0	0	0	111.2
98	R	29.7	Very low	37.9	Very low	233 Å²	233	132.1 Å²	132.1	88%	0.879	71%	0.706	S	S	*	*			trans	-175.4	154.9	139.3	-109.2	168.7	173.2	-175.2	-4.5	114.5
99	Q	26.3	Very low	36.6	Very low	155 Å²	155	133.3 Å²	133.3	72%	0.724	72%	0.716	S	S	*	*			trans	68.5	115.8	163.9	-71.7	-177.5	-87.4	0	0	120.5
100	E	25.9	Very low	35.4	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	72%	0.72	S	S	*	*			trans	72.5	141.2	135	-71.2	160.8	-126.8	0	0	120.4
101	A	34.9	Very low	34.3	Very low	101 Å²	101	135.6 Å²	135.6	84%	0.835	74%	0.742	S	S	*	*			trans	-105.2	104.8	-167.5	0	0	0	0	0	111.6
102	T	29.6	Very low	33.4	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	75%	0.75	S	S	*	*			trans	-152.1	159.2	160	-3.2	0	0	0	0	110.6
103	T	29	Very low	33.4	Very low	111 Å²	111	131.2 Å²	131.2	68%	0.681	75%	0.746	S	S	*	*			trans	63.9	85.2	173.4	53.6	0	0	0	0	117.7	S105	T103-S105 PolarHBondContact O-N 3.44Å
104	L	34.2	Very low	34	Very low	186 Å²	186	131.7 Å²	131.7	97%	0.974	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	79.5	154.3	-83.2	77.1	0	0	0	109.4
105	S	27.7	Very low	34.3	Very low	56 Å²	56	131.7 Å²	131.7	39%	0.392	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.1	-15.1	178.7	56.6	0	0	0	0	115.2	T103	T103-S105 PolarHBondContact O-N 3.44Å
106	N	31.9	Very low	35.2	Very low	117 Å²	117	129.7 Å²	129.7	63%	0.626	73%	0.73	S	S	*	*	S	Bend	trans	-104.8	13.4	-165.4	-62.5	1.5	0	0	0	114.7	T109	N106-T109 PolarHBondContact O-OG1 2.79Å
107	I	33.3	Very low	36.7	Very low	156 Å²	156	126.2 Å²	126.2	80%	0.8	71%	0.711	S	S	*	*	S	Bend	trans	-90.3	-26.6	172.4	-62.3	178.8	0	0	0	110.8	T109	I107-T109 PolarHBondContact O-N 2.94Å
108	T	31.1	Very low	38	Very low	122 Å²	122	120.8 Å²	120.8	75%	0.748	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-4.4	-177.8	-23.4	0	0	0	0	113.9
109	T	34.6	Very low	39.6	Very low	86 Å²	86	115.3 Å²	115.3	53%	0.528	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.7	2.4	-166.6	44.7	0	0	0	0	115.4	N106 I107 T112	N106-T109 PolarHBondContact O-OG1 2.79Å; I107-T109 PolarHBondContact O-N 2.94Å; T109-T112 PolarHBondContact O-OG1 2.89Å
110	V	37.4	Very low	41.2	Very low	120 Å²	120	113.3 Å²	113.3	73%	0.727	66%	0.663	S	S	*	*	S	Bend	trans	-104.3	5.4	175.1	-156.1	0	0	0	0	112.2
111	A	34.9	Very low	43	Very low	94 Å²	94	108 Å²	108	78%	0.777	64%	0.638	S	S	*	*			trans	-88.6	-0.8	173.8	0	0	0	0	0	113.5	G113	A111-G113 PolarHBondContact O-N 2.84Å
112	T	37.5	Very low	43.8	Very low	116 Å²	116	107.2 Å²	107.2	71%	0.712	64%	0.64	S	S	*	*	S	Bend	trans	-74.4	108.5	166	39.8	0	0	0	0	108.8	T109	T109-T112 PolarHBondContact O-OG1 2.89Å
113	G	46.6	Very low	45.3	Very low	61 Å²	61	104.1 Å²	104.1	63%	0.629	63%	0.633	S	S	*	*			trans	-57.3	141.9	-173.8	0	0	0	0	0	113.1	A111 L115	A111-G113 PolarHBondContact O-N 2.84Å; G113-L115 VanDerWaalsContact C-N 3.29Å; G113-L115 PolarHBondContact O-N 2.88Å
114	R	46.7	Very low	46.9	Very low	221 Å²	221	100.4 Å²	100.4	83%	0.834	61%	0.612	S	S	*	*			trans	-64.5	93.5	167	-172.1	-179.4	-171.7	180	3.8	108	L116	R114-L116 PolarHBondContact O-N 3.31Å
115	L	50.2	Low	48.7	Very low	116 Å²	116	93.8 Å²	93.8	61%	0.607	58%	0.579	S	S	*	*			trans	-53.2	120.8	-175.8	-72.7	165.1	0	0	0	110	G113 S117 V125	G113-L115 VanDerWaalsContact C-N 3.29Å; G113-L115 PolarHBondContact O-N 2.88Å; L115-S117 PolarHBondContact O-N 3.24Å; L115-S117 VanDerWaalsContact O-N 3.16Å; L115-V125 HydrophobicContact CB-CB 4.49Å; L115-V125 HydrophobicContact CB-CG1 3.83Å; L115-V125 HydrophobicContact CB-CG2 3.87Å; L115-V125 HydrophobicContact CD1-CG1 4.04Å; L115-V125 HydrophobicContact CD1-CG2 4.07Å; L115-V125 HydrophobicContact CD2-CG1 3.92Å; L115-V125 HydrophobicContact CG-CG1 4.14Å
116	L	56.8	Low	50.6	Low	115 Å²	115	92.7 Å²	92.7	60%	0.602	57%	0.568	S	S	*	*			trans	-68.2	114.9	-177	-70	170.3	0	0	0	109	R114 M126	R114-L116 PolarHBondContact O-N 3.31Å; L116-M126 HydrophobicContact CB-CE 3.52Å; L116-M126 WeakPolarHBondContact O-CE 3.3Å; L116-M126 PolarHBondContact O-N 3.1Å; L116-M126 VanDerWaalsContact O-N 3.17Å
117	S	60.7	Low	52.5	Low	66 Å²	66	92 Å²	92	46%	0.462	56%	0.561	S	S	.	*	B	Isolated β-bridge	trans	-68.3	140.5	172.5	53	0	0	0	0	110.3	L115 S124	L115-S117 PolarHBondContact O-N 3.24Å; L115-S117 VanDerWaalsContact O-N 3.16Å; S117-S124 WeakPolarHBondContact CA-O 3.27Å
118	C	59.6	Low	54.4	Low	7 Å²	7	87.2 Å²	87.2	5%	0.047	54%	0.535	C	S	.	.			trans	-54.6	132.8	175.4	179.4	0	0	0	0	111.2	N120 H121 S124 M126 C138	C118-N120 PolarHBondContact O-N 3.01Å; C118-N120 PolarHBondContact SG-N 2.86Å; C118-H121 HydrophobicContact CB-CB 3.96Å; C118-H121 CarbonylContact O-C 3.51Å; C118-H121 PolarHBondContact O-N 3.14Å; C118-H121 PolarHBondContact SG-ND1 3.03Å; C118-S124 PolarHBondContact N-O 2.75Å; C118-M126 HydrophobicContact CB-CG 4.36Å; C118-C138 HydrophobicContact CB-CB 4.03Å
119	P	63.6	Low	56.6	Low	118 Å²	118	83.4 Å²	83.4	77%	0.766	51%	0.507	S	S	*	.	S	Bend	trans	-58.9	-29.8	176.9	-26	35.3	0	0	0	114.1
120	N	59.6	Low	58.7	Low	113 Å²	113	79.3 Å²	79.3	60%	0.604	48%	0.482	S	S	*	.	S	Bend	trans	-93	-23.2	-178.4	-62.4	0.3	0	0	0	112.7	C118	C118-N120 PolarHBondContact O-N 3.01Å; C118-N120 PolarHBondContact SG-N 2.86Å
121	H	63.3	Low	60.4	Low	58 Å²	58	76.6 Å²	76.6	27%	0.269	47%	0.467	S	S	.	.	S	Bend	trans	-124.6	89.2	-174.8	-57	96.2	0	0	0	110.1	C118 G123 S124 E140 C141	C118-H121 HydrophobicContact CB-CB 3.96Å; C118-H121 CarbonylContact O-C 3.51Å; C118-H121 PolarHBondContact O-N 3.14Å; C118-H121 PolarHBondContact SG-ND1 3.03Å; H121-G123 PolarHBondContact O-N 2.8Å; H121-G123 VanDerWaalsContact O-N 3.1Å; H121-S124 PolarHBondContact O-N 2.94Å; H121-S124 VanDerWaalsContact O-N 3.12Å; H121-E140 IonicContact CD2-OE2 3.18Å; H121-E140 PolarHBondContact CD2-OE2 3.39Å; H121-E140 IonicContact CG-OE2 3.61Å; H121-C141 VanDerWaalsContact CE1-SG 3.56Å; H121-C141 PolarHBondContact ND1-SG 3.05Å; H121-C141 VanDerWaalsContact ND1-SG 3.39Å
122	G	52.5	Low	62.2	Low	84 Å²	84	75.8 Å²	75.8	87%	0.866	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	107.4	-172	0	0	0	0	0	113.5
123	G	61.4	Low	63.8	Low	63 Å²	63	72.4 Å²	72.4	65%	0.649	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.5	-20.6	-179.6	0	0	0	0	0	114	H121	H121-G123 PolarHBondContact O-N 2.8Å; H121-G123 VanDerWaalsContact O-N 3.1Å
124	S	62.1	Low	65.1	Low	33 Å²	33	77.2 Å²	77.2	23%	0.231	44%	0.44	C	S	.	.			trans	-86	123	-175.4	-59.7	0	0	0	0	111.9	S117 C118 H121 E140	S117-S124 WeakPolarHBondContact CA-O 3.27Å; C118-S124 PolarHBondContact N-O 2.75Å; H121-S124 PolarHBondContact O-N 2.94Å; H121-S124 VanDerWaalsContact O-N 3.12Å; S124-E140 WeakPolarHBondContact CB-OE1 3.19Å; S124-E140 PolarHBondContact OG-OE1 3.01Å
125	V	70.6	Confident	66.1	Low	47 Å²	47	69.2 Å²	69.2	29%	0.285	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-70	140.9	-174.7	171.7	0	0	0	0	112	L115 E127 C138	L115-V125 HydrophobicContact CB-CB 4.49Å; L115-V125 HydrophobicContact CB-CG1 3.83Å; L115-V125 HydrophobicContact CB-CG2 3.87Å; L115-V125 HydrophobicContact CD1-CG1 4.04Å; L115-V125 HydrophobicContact CD1-CG2 4.07Å; L115-V125 HydrophobicContact CD2-CG1 3.92Å; L115-V125 HydrophobicContact CG-CG1 4.14Å; V125-E127 HydrophobicContact CB-CG 4.31Å; V125-E127 HydrophobicContact CG1-CG 3.62Å; V125-E127 PolarHBondContact O-N 3.42Å; V125-C138 WeakPolarHBondContact O-CA 3.44Å; V125-C138 WeakPolarHBondContact O-CB 3.41Å
126	M	69	Low	67.2	Low	34 Å²	34	65.8 Å²	65.8	17%	0.167	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107.7	167.7	-65	-174.6	-81.2	0	0	111.5	L116 C118 A136 M137	L116-M126 HydrophobicContact CB-CE 3.52Å; L116-M126 WeakPolarHBondContact O-CE 3.3Å; L116-M126 PolarHBondContact O-N 3.1Å; L116-M126 VanDerWaalsContact O-N 3.17Å; C118-M126 HydrophobicContact CB-CG 4.36Å; M126-A136 HydrophobicContact CB-CB 4.43Å; M126-A136 HydrophobicContact SD-CB 4.37Å; M126-M137 CarbonylContact C-O 3.58Å; M126-M137 VanDerWaalsContact CA-O 3.27Å; M126-M137 WeakPolarHBondContact CA-O 3.21Å
127	E	71.1	Confident	68	Low	102 Å²	102	60.5 Å²	60.5	48%	0.477	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-16.2	-178.7	-61.9	-157.3	130.9	0	0	114	V125 M137 L154	V125-E127 HydrophobicContact CB-CG 4.31Å; V125-E127 HydrophobicContact CG1-CG 3.62Å; V125-E127 PolarHBondContact O-N 3.42Å; E127-M137 PolarHBondContact N-O 2.81Å; E127-L154 WeakPolarHBondContact O-CB 3.4Å; E127-L154 PolarHBondContact O-N 3.14Å
128	F	73.9	Confident	68.7	Low	56 Å²	56	57.3 Å²	57.3	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	157.1	-176	-61.6	-81.8	0	0	0	111	A136 M137 Q139	F128-A136 CarbonylContact O-C 3.49Å; F128-A136 WeakPolarHBondContact O-CA 3.37Å; F128-M137 PolarHBondContact N-O 3.23Å; F128-M137 PolarHBondContact O-N 3.11Å; F128-Q139 HydrophobicContact CE2-CB 4.36Å; F128-Q139 HydrophobicContact CE2-CG 4.44Å
129	Y	77.3	Confident	69.3	Low	41 Å²	41	63.4 Å²	63.4	16%	0.161	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.1	174.7	-178.1	-102.2	0	0	0	110.3	P131 E134 T135 T151 V152 L154 V157	Y129-P131 HydrophobicContact CD1-CG 3.92Å; Y129-P131 HydrophobicContact CE1-CB 4.26Å; Y129-P131 HydrophobicContact CE1-CG 4.03Å; Y129-P131 WeakPolarHBondContact O-CD 3.46Å; Y129-E134 WeakPolarHBondContact CE2-O 3.33Å; Y129-E134 WeakPolarHBondContact OH-CA 3.43Å; Y129-T135 WeakPolarHBondContact CA-O 3.22Å; Y129-T135 VanDerWaalsContact CD2-O 3.31Å; Y129-T135 WeakPolarHBondContact CD2-O 3.48Å; Y129-T151 WeakPolarHBondContact O-CA 3.27Å; Y129-V152 HydrophobicContact CD1-CG2 4.23Å; Y129-V152 PolarHBondContact N-O 3.41Å; Y129-V152 PolarHBondContact O-N 3.18Å; Y129-L154 HydrophobicContact CD2-CD1 4.24Å; Y129-L154 HydrophobicContact CG-CD1 4.49Å; Y129-V157 HydrophobicContact CD1-CB 4.43Å; Y129-V157 HydrophobicContact CD1-CG1 3.74Å; Y129-V157 HydrophobicContact CD1-CG2 4.06Å; Y129-V157 HydrophobicContact CE1-CG1 3.96Å; Y129-V157 HydrophobicContact CG-CG1 4.05Å
130	C	77.9	Confident	69.6	Low	0 Å²	0	62 Å²	62	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	91.8	-177.7	-178.7	0	0	0	0	110.3	P132 C133 E134 T135 M137 H146 H149	C130-P132 VanDerWaalsContact C-CD 3.44Å; C130-P132 VanDerWaalsContact C-N 3.34Å; C130-C133 HydrophobicContact CB-CB 4.4Å; C130-C133 CarbonylContact O-C 3.56Å; C130-C133 PolarHBondContact O-N 3.38Å; C130-E134 PolarHBondContact O-N 2.85Å; C130-T135 PolarHBondContact N-O 2.96Å; C130-M137 HydrophobicContact CB-CE 3.72Å; C130-M137 HydrophobicContact CB-CG 4.42Å; C130-M137 HydrophobicContact CB-SD 3.67Å; C130-H146 PolarHBondContact SG-ND1 3.4Å; C130-H149 WeakPolarHBondContact SG-CB 3.5Å
131	P	74.4	Confident	70	Confident	64 Å²	64	57.1 Å²	57.1	42%	0.416	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-53.3	-37.3	-177.6	-24.9	33.4	0	0	0	115.5	Y129 C133 P150 V152	Y129-P131 HydrophobicContact CD1-CG 3.92Å; Y129-P131 HydrophobicContact CE1-CB 4.26Å; Y129-P131 HydrophobicContact CE1-CG 4.03Å; Y129-P131 WeakPolarHBondContact O-CD 3.46Å; P131-C133 PolarHBondContact O-N 2.86Å; P131-P150 WeakPolarHBondContact CD-O 3.49Å; P131-V152 HydrophobicContact CG-CG2 3.92Å
132	P	72.3	Confident	70.2	Confident	76 Å²	76	55.8 Å²	55.8	49%	0.494	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-65	-13.8	175.4	-23.8	34.8	0	0	0	115.7	C130 H149 P150	C130-P132 VanDerWaalsContact C-CD 3.44Å; C130-P132 VanDerWaalsContact C-N 3.34Å; P132-H149 HydrophobicContact CG-CB 4.45Å; P132-P150 HydrophobicContact CG-CG 4.16Å
133	C	70.4	Confident	70.9	Confident	46 Å²	46	55.6 Å²	55.6	31%	0.311	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-124.6	-2.8	-175.9	-54.1	0	0	0	0	113.3	C130 P131 T135 H146 H149	C130-C133 HydrophobicContact CB-CB 4.4Å; C130-C133 CarbonylContact O-C 3.56Å; C130-C133 PolarHBondContact O-N 3.38Å; P131-C133 PolarHBondContact O-N 2.86Å; C133-T135 PolarHBondContact O-N 3.09Å; C133-H146 PolarHBondContact SG-CE1 3.34Å; C133-H149 VanDerWaalsContact SG-CE1 3.6Å
134	E	73.4	Confident	71.5	Confident	161 Å²	161	54.8 Å²	54.8	75%	0.752	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	18.1	-174.6	-56	-172	165.2	0	0	115.3	Y129 C130	Y129-E134 WeakPolarHBondContact CE2-O 3.33Å; Y129-E134 WeakPolarHBondContact OH-CA 3.43Å; C130-E134 PolarHBondContact O-N 2.85Å
135	T	67.9	Low	71.7	Confident	54 Å²	54	60 Å²	60	33%	0.331	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.2	-175.8	45.8	0	0	0	0	113.8	Y129 C130 C133	Y129-T135 WeakPolarHBondContact CA-O 3.22Å; Y129-T135 VanDerWaalsContact CD2-O 3.31Å; Y129-T135 WeakPolarHBondContact CD2-O 3.48Å; C130-T135 PolarHBondContact N-O 2.96Å; C133-T135 PolarHBondContact O-N 3.09Å
136	A	73.8	Confident	71.5	Confident	43 Å²	43	59.3 Å²	59.3	36%	0.355	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.4	160.9	0	0	0	0	0	110.2	M126 F128 L154	M126-A136 HydrophobicContact CB-CB 4.43Å; M126-A136 HydrophobicContact SD-CB 4.37Å; F128-A136 CarbonylContact O-C 3.49Å; F128-A136 WeakPolarHBondContact O-CA 3.37Å; A136-L154 HydrophobicContact CB-CD1 4.12Å; A136-L154 HydrophobicContact CB-CD2 4.23Å
137	M	73.3	Confident	71.4	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.6	-165.1	-53.7	-166	-47.5	0	0	112.8	M126 E127 F128 C130 C141 H146 T151	M126-M137 CarbonylContact C-O 3.58Å; M126-M137 VanDerWaalsContact CA-O 3.27Å; M126-M137 WeakPolarHBondContact CA-O 3.21Å; E127-M137 PolarHBondContact N-O 2.81Å; F128-M137 PolarHBondContact N-O 3.23Å; F128-M137 PolarHBondContact O-N 3.11Å; C130-M137 HydrophobicContact CB-CE 3.72Å; C130-M137 HydrophobicContact CB-CG 4.42Å; C130-M137 HydrophobicContact CB-SD 3.67Å; M137-C141 HydrophobicContact CB-CB 4.04Å; M137-H146 HydrophobicContact CE-CB 3.69Å; M137-H146 HydrophobicContact SD-CB 3.59Å; M137-H146 VanDerWaalsContact SD-CB 3.59Å; M137-H146 PolarHBondContact SD-CD2 2.62Å; M137-H146 PolarHBondContact SD-ND1 3.23Å; M137-T151 HydrophobicContact CE-CG2 3.37Å
138	C	75.4	Confident	71.3	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	170.6	167.4	66.5	0	0	0	0	111.9	C118 V125 E140 C141 T142	C118-C138 HydrophobicContact CB-CB 4.03Å; V125-C138 WeakPolarHBondContact O-CA 3.44Å; V125-C138 WeakPolarHBondContact O-CB 3.41Å; C138-E140 PolarHBondContact O-N 3.49Å; C138-C141 PolarHBondContact O-N 3.44Å; C138-C141 PolarHBondContact SG-N 3.41Å; C138-C141 VanDerWaalsContact SG-SG 3.65Å; C138-T142 PolarHBondContact O-N 3.46Å; C138-T142 VanDerWaalsContact O-N 3.12Å; C138-T142 PolarHBondContact O-OG1 3.04Å
139	Q	72	Confident	71.4	Confident	135 Å²	135	72.6 Å²	72.6	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-31.5	178.5	-164.5	173.5	12.8	0	0	112.8	F128 S143	F128-Q139 HydrophobicContact CE2-CB 4.36Å; F128-Q139 HydrophobicContact CE2-CG 4.44Å; Q139-S143 PolarHBondContact O-N 2.93Å; Q139-S143 PolarHBondContact O-OG 3.34Å
140	E	69.4	Low	71.2	Confident	89 Å²	89	75 Å²	75	42%	0.416	40%	0.402	S	S	.	.	H	α-helix	trans	-69.6	-48.5	174.5	-71.9	155.5	-104.6	0	0	112.3	H121 S124 C138 T142 S143 G144	H121-E140 IonicContact CD2-OE2 3.18Å; H121-E140 PolarHBondContact CD2-OE2 3.39Å; H121-E140 IonicContact CG-OE2 3.61Å; S124-E140 WeakPolarHBondContact CB-OE1 3.19Å; S124-E140 PolarHBondContact OG-OE1 3.01Å; C138-E140 PolarHBondContact O-N 3.49Å; E140-T142 PolarHBondContact O-N 3.2Å; E140-S143 CarbonylContact O-C 3.5Å; E140-S143 WeakPolarHBondContact O-CA 3.35Å; E140-S143 WeakPolarHBondContact O-CB 3.21Å; E140-S143 PolarHBondContact O-N 2.87Å; E140-G144 PolarHBondContact O-N 3.11Å
141	C	68.8	Low	71	Confident	10 Å²	10	77.4 Å²	77.4	7%	0.068	42%	0.416	C	S	.	.	H	α-helix	trans	-57.6	-37.5	174.8	-75.2	0	0	0	0	112.7	H121 M137 C138 S143 G144 E145 H146	H121-C141 VanDerWaalsContact CE1-SG 3.56Å; H121-C141 PolarHBondContact ND1-SG 3.05Å; H121-C141 VanDerWaalsContact ND1-SG 3.39Å; M137-C141 HydrophobicContact CB-CB 4.04Å; C138-C141 PolarHBondContact O-N 3.44Å; C138-C141 PolarHBondContact SG-N 3.41Å; C138-C141 VanDerWaalsContact SG-SG 3.65Å; C141-S143 PolarHBondContact O-N 3.28Å; C141-G144 PolarHBondContact O-N 2.85Å; C141-E145 PolarHBondContact O-N 3.06Å; C141-H146 PolarHBondContact O-N 2.96Å; C141-H146 VanDerWaalsContact O-N 3.15Å
142	T	68.5	Low	71.3	Confident	30 Å²	30	77 Å²	77	18%	0.184	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-31.8	174.4	-54	0	0	0	0	112.1	C138 E140 R147 T151	C138-T142 PolarHBondContact O-N 3.46Å; C138-T142 VanDerWaalsContact O-N 3.12Å; C138-T142 PolarHBondContact O-OG1 3.04Å; E140-T142 PolarHBondContact O-N 3.2Å; T142-R147 WeakPolarHBondContact O-CA 3.36Å; T142-T151 HydrophobicContact CG2-CG2 3.8Å
143	S	66	Low	71.6	Confident	80 Å²	80	76.4 Å²	76.4	56%	0.559	41%	0.409	S	S	*	.	H	α-helix	trans	-88.3	-21.5	-179.5	-54.2	0	0	0	0	113.3	Q139 E140 C141	Q139-S143 PolarHBondContact O-N 2.93Å; Q139-S143 PolarHBondContact O-OG 3.34Å; E140-S143 CarbonylContact O-C 3.5Å; E140-S143 WeakPolarHBondContact O-CA 3.35Å; E140-S143 WeakPolarHBondContact O-CB 3.21Å; E140-S143 PolarHBondContact O-N 2.87Å; C141-S143 PolarHBondContact O-N 3.28Å
144	G	74.1	Confident	71.8	Confident	46 Å²	46	76.2 Å²	76.2	47%	0.474	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-106.6	179.7	0	0	0	0	0	113.1	E140 C141 H146 R147	E140-G144 PolarHBondContact O-N 3.11Å; C141-G144 PolarHBondContact O-N 2.85Å; G144-H146 PolarHBondContact O-N 2.89Å; G144-H146 VanDerWaalsContact O-N 3.14Å; G144-R147 VanDerWaalsContact O-CB 3.27Å; G144-R147 WeakPolarHBondContact O-CB 3.29Å; G144-R147 PolarHBondContact O-N 3.5Å
145	E	66.7	Low	71.8	Confident	142 Å²	142	76.3 Å²	76.3	66%	0.664	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.9	-169.1	-63.4	177.2	134.6	0	0	114.4	C141	C141-E145 PolarHBondContact O-N 3.06Å
146	H	66.8	Low	72.1	Confident	32 Å²	32	78.8 Å²	78.8	15%	0.148	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	18.5	-178.5	-67.8	-106.3	0	0	0	114.1	C130 C133 M137 C141 G144 E148 H149	C130-H146 PolarHBondContact SG-ND1 3.4Å; C133-H146 PolarHBondContact SG-CE1 3.34Å; M137-H146 HydrophobicContact CE-CB 3.69Å; M137-H146 HydrophobicContact SD-CB 3.59Å; M137-H146 VanDerWaalsContact SD-CB 3.59Å; M137-H146 PolarHBondContact SD-CD2 2.62Å; M137-H146 PolarHBondContact SD-ND1 3.23Å; C141-H146 PolarHBondContact O-N 2.96Å; C141-H146 VanDerWaalsContact O-N 3.15Å; G144-H146 PolarHBondContact O-N 2.89Å; G144-H146 VanDerWaalsContact O-N 3.14Å; H146-E148 PolarHBondContact O-N 3.48Å; H146-E148 VanDerWaalsContact O-N 3.09Å; H146-H149 HydrophobicContact CB-CB 4.48Å; H146-H149 AromaticContact CG-ND1 3.94Å; H146-H149 AromaticContact ND1-ND1 3.44Å; H146-H149 PolarHBondContact ND1-ND1 3.4Å; H146-H149 PolarHBondContact O-N 2.91Å
147	R	66.1	Low	72.1	Confident	204 Å²	204	77.5 Å²	77.5	77%	0.77	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.2	-174.4	-177.8	174.9	176.2	-175.5	-1.1	115.7	T142 G144	T142-R147 WeakPolarHBondContact O-CA 3.36Å; G144-R147 VanDerWaalsContact O-CB 3.27Å; G144-R147 WeakPolarHBondContact O-CB 3.29Å; G144-R147 PolarHBondContact O-N 3.5Å
148	E	68.5	Low	72.2	Confident	190 Å²	190	80.8 Å²	80.8	89%	0.888	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	0.1	177.3	-60	-165.3	164	0	0	113.6	H146	H146-E148 PolarHBondContact O-N 3.48Å; H146-E148 VanDerWaalsContact O-N 3.09Å
149	H	75.8	Confident	72.4	Confident	77 Å²	77	85.7 Å²	85.7	36%	0.356	44%	0.444	S	S	.	.	S	Bend	trans	-98.9	138	-179.5	-62.3	134	0	0	0	112.2	C130 P132 C133 H146 T151	C130-H149 WeakPolarHBondContact SG-CB 3.5Å; P132-H149 HydrophobicContact CG-CB 4.45Å; C133-H149 VanDerWaalsContact SG-CE1 3.6Å; H146-H149 HydrophobicContact CB-CB 4.48Å; H146-H149 AromaticContact CG-ND1 3.94Å; H146-H149 AromaticContact ND1-ND1 3.44Å; H146-H149 PolarHBondContact ND1-ND1 3.4Å; H146-H149 PolarHBondContact O-N 2.91Å; H149-T151 PolarHBondContact O-N 3.14Å
150	P	73.6	Confident	72.7	Confident	93 Å²	93	86 Å²	86	60%	0.604	45%	0.446	S	S	*	.			trans	-65.7	120.5	172.8	26.9	-34.9	0	0	0	110.9	P131 P132	P131-P150 WeakPolarHBondContact CD-O 3.49Å; P132-P150 HydrophobicContact CG-CG 4.16Å
151	T	74.9	Confident	73.1	Confident	49 Å²	49	86.5 Å²	86.5	30%	0.301	45%	0.448	S	S	.	.			trans	-105.3	142.2	176.4	57.2	0	0	0	0	112.3	Y129 M137 T142 H149	Y129-T151 WeakPolarHBondContact O-CA 3.27Å; M137-T151 HydrophobicContact CE-CG2 3.37Å; T142-T151 HydrophobicContact CG2-CG2 3.8Å; H149-T151 PolarHBondContact O-N 3.14Å
152	V	79.3	Confident	73.5	Confident	57 Å²	57	91.4 Å²	91.4	35%	0.345	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.8	177.1	-76.3	0	0	0	0	110.8	Y129 P131 L154 V157	Y129-V152 HydrophobicContact CD1-CG2 4.23Å; Y129-V152 PolarHBondContact N-O 3.41Å; Y129-V152 PolarHBondContact O-N 3.18Å; P131-V152 HydrophobicContact CG-CG2 3.92Å; V152-L154 PolarHBondContact O-N 3.14Å; V152-V157 HydrophobicContact CB-CG2 4.22Å; V152-V157 HydrophobicContact CG2-CG2 3.41Å; V152-V157 VanDerWaalsContact CG2-CG2 3.41Å
153	P	78.5	Confident	73.9	Confident	63 Å²	63	92.5 Å²	92.5	41%	0.409	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.3	176.7	-20.8	33.4	0	0	0	111.3	K155 D156	P153-K155 PolarHBondContact O-N 3.34Å; P153-D156 WeakPolarHBondContact CG-OD2 3.46Å; P153-D156 PolarHBondContact O-N 3.06Å
154	L	74.8	Confident	74.6	Confident	42 Å²	42	91.4 Å²	91.4	22%	0.22	47%	0.473	C	S	.	.	H	α-helix	trans	-60.8	-30.9	-176.4	-178.9	63	0	0	0	112.3	E127 Y129 A136 V152 V158	E127-L154 WeakPolarHBondContact O-CB 3.4Å; E127-L154 PolarHBondContact O-N 3.14Å; Y129-L154 HydrophobicContact CD2-CD1 4.24Å; Y129-L154 HydrophobicContact CG-CD1 4.49Å; A136-L154 HydrophobicContact CB-CD1 4.12Å; A136-L154 HydrophobicContact CB-CD2 4.23Å; V152-L154 PolarHBondContact O-N 3.14Å; L154-V158 HydrophobicContact CD1-CG2 4.04Å; L154-V158 HydrophobicContact CG-CG2 4.15Å; L154-V158 VanDerWaalsContact O-CB 3.31Å; L154-V158 WeakPolarHBondContact O-CB 3.41Å; L154-V158 WeakPolarHBondContact O-CG2 3.39Å; L154-V158 PolarHBondContact O-N 2.94Å
155	K	72.8	Confident	74.8	Confident	162 Å²	162	94.4 Å²	94.4	70%	0.704	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-46.3	-179.3	-66.5	175	-176.9	166.5	0	112.5	P153 V158 E159	P153-K155 PolarHBondContact O-N 3.34Å; K155-V158 PolarHBondContact O-N 3.5Å; K155-E159 PolarHBondContact O-N 2.98Å
156	D	74.6	Confident	75.5	Confident	106 Å²	106	91.9 Å²	91.9	57%	0.567	47%	0.465	S	S	*	.	H	α-helix	trans	-70.3	-41	-174.7	-52.7	-29	0	0	0	110.5	P153 E159 Q160	P153-D156 WeakPolarHBondContact CG-OD2 3.46Å; P153-D156 PolarHBondContact O-N 3.06Å; D156-E159 PolarHBondContact O-N 3.11Å; D156-Q160 WeakPolarHBondContact O-CB 3.45Å; D156-Q160 PolarHBondContact O-N 3.06Å
157	V	75.1	Confident	76.3	Confident	17 Å²	17	95.6 Å²	95.6	10%	0.103	49%	0.486	C	S	.	.	H	α-helix	trans	-62	-44.4	172.9	171.8	0	0	0	0	111.6	Y129 V152 Q160 H161	Y129-V157 HydrophobicContact CD1-CB 4.43Å; Y129-V157 HydrophobicContact CD1-CG1 3.74Å; Y129-V157 HydrophobicContact CD1-CG2 4.06Å; Y129-V157 HydrophobicContact CE1-CG1 3.96Å; Y129-V157 HydrophobicContact CG-CG1 4.05Å; V152-V157 HydrophobicContact CB-CG2 4.22Å; V152-V157 HydrophobicContact CG2-CG2 3.41Å; V152-V157 VanDerWaalsContact CG2-CG2 3.41Å; V157-Q160 PolarHBondContact O-N 2.73Å; V157-H161 VanDerWaalsContact CG1-CD2 3.47Å; V157-H161 WeakPolarHBondContact CG1-CD2 3.49Å; V157-H161 PolarHBondContact O-CD2 3.11Å; V157-H161 PolarHBondContact O-N 3.43Å
158	V	75.3	Confident	77.1	Confident	72 Å²	72	91.4 Å²	91.4	44%	0.436	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.3	163.6	0	0	0	0	111.3	L154 K155 H161 K162	L154-V158 HydrophobicContact CD1-CG2 4.04Å; L154-V158 HydrophobicContact CG-CG2 4.15Å; L154-V158 VanDerWaalsContact O-CB 3.31Å; L154-V158 WeakPolarHBondContact O-CB 3.41Å; L154-V158 WeakPolarHBondContact O-CG2 3.39Å; L154-V158 PolarHBondContact O-N 2.94Å; K155-V158 PolarHBondContact O-N 3.5Å; V158-H161 PolarHBondContact O-N 2.98Å; V158-K162 WeakPolarHBondContact O-CB 3.5Å; V158-K162 PolarHBondContact O-N 2.95Å
159	E	78.8	Confident	77.8	Confident	103 Å²	103	86 Å²	86	48%	0.481	45%	0.453	S	S	.	.	H	α-helix	trans	-67	-36	177.1	-69.3	-60.7	138.2	0	0	112.2	K155 D156 K162 A163	K155-E159 PolarHBondContact O-N 2.98Å; D156-E159 PolarHBondContact O-N 3.11Å; E159-K162 PolarHBondContact O-N 2.99Å; E159-K162 IonicContact OE1-NZ 2.69Å; E159-K162 PolarHBondContact OE1-NZ 3.06Å; E159-K162 IonicContact OE2-NZ 2.67Å; E159-K162 PolarHBondContact OE2-NZ 3.37Å; E159-A163 WeakPolarHBondContact O-CB 3.32Å; E159-A163 PolarHBondContact O-N 2.9Å
160	Q	78.1	Confident	78.2	Confident	143 Å²	143	85.3 Å²	85.3	67%	0.668	45%	0.451	S	S	*	.	H	α-helix	trans	-64	-48	174.2	-173.9	179.1	1.9	0	0	112.5	D156 V157 A163 S164	D156-Q160 WeakPolarHBondContact O-CB 3.45Å; D156-Q160 PolarHBondContact O-N 3.06Å; V157-Q160 PolarHBondContact O-N 2.73Å; Q160-A163 PolarHBondContact O-N 2.66Å; Q160-S164 PolarHBondContact O-N 3.17Å
161	H	77.6	Confident	78.7	Confident	99 Å²	99	83.6 Å²	83.6	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-38.2	176.9	-75.8	-64.5	0	0	0	112.1	V157 V158 S164 L165	V157-H161 VanDerWaalsContact CG1-CD2 3.47Å; V157-H161 WeakPolarHBondContact CG1-CD2 3.49Å; V157-H161 PolarHBondContact O-CD2 3.11Å; V157-H161 PolarHBondContact O-N 3.43Å; V158-H161 PolarHBondContact O-N 2.98Å; H161-S164 PolarHBondContact O-N 2.98Å; H161-L165 WeakPolarHBondContact O-CB 2.77Å; H161-L165 VanDerWaalsContact O-CG 3.29Å; H161-L165 WeakPolarHBondContact O-CG 3.48Å; H161-L165 PolarHBondContact O-N 2.85Å
162	K	76.6	Confident	79	Confident	112 Å²	112	85.8 Å²	85.8	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-42	175.1	175.6	-178.4	164	-146.1	0	111.8	V158 E159 Q166	V158-K162 WeakPolarHBondContact O-CB 3.5Å; V158-K162 PolarHBondContact O-N 2.95Å; E159-K162 PolarHBondContact O-N 2.99Å; E159-K162 IonicContact OE1-NZ 2.69Å; E159-K162 PolarHBondContact OE1-NZ 3.06Å; E159-K162 IonicContact OE2-NZ 2.67Å; E159-K162 PolarHBondContact OE2-NZ 3.37Å; K162-Q166 WeakPolarHBondContact O-CB 3.22Å; K162-Q166 PolarHBondContact O-N 2.89Å
163	A	78.3	Confident	79.1	Confident	53 Å²	53	88.5 Å²	88.5	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-62.3	-48.8	172	0	0	0	0	0	111.6	E159 Q160 L165 Q166 D167	E159-A163 WeakPolarHBondContact O-CB 3.32Å; E159-A163 PolarHBondContact O-N 2.9Å; Q160-A163 PolarHBondContact O-N 2.66Å; A163-L165 PolarHBondContact O-N 3.1Å; A163-Q166 WeakPolarHBondContact O-CB 3.33Å; A163-Q166 PolarHBondContact O-N 2.88Å; A163-Q166 VanDerWaalsContact O-N 3.13Å; A163-D167 PolarHBondContact O-N 2.9Å
164	S	79.3	Confident	79.5	Confident	58 Å²	58	93.1 Å²	93.1	41%	0.406	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-43.5	179.1	-169.9	0	0	0	0	113	Q160 H161 D167 Q168	Q160-S164 PolarHBondContact O-N 3.17Å; H161-S164 PolarHBondContact O-N 2.98Å; S164-D167 PolarHBondContact O-N 3.41Å; S164-Q168 WeakPolarHBondContact O-CG 3.41Å; S164-Q168 PolarHBondContact O-N 2.89Å
165	L	79.8	Confident	79.9	Confident	108 Å²	108	98.3 Å²	98.3	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-66.8	-35.8	174.6	-72.3	170	0	0	0	112	H161 A163 Q168 L169	H161-L165 WeakPolarHBondContact O-CB 2.77Å; H161-L165 VanDerWaalsContact O-CG 3.29Å; H161-L165 WeakPolarHBondContact O-CG 3.48Å; H161-L165 PolarHBondContact O-N 2.85Å; A163-L165 PolarHBondContact O-N 3.1Å; L165-Q168 PolarHBondContact O-N 3.2Å; L165-L169 WeakPolarHBondContact O-CB 3.25Å; L165-L169 PolarHBondContact O-N 3.2Å
166	Q	81.4	Confident	80.5	Confident	89 Å²	89	95 Å²	95	42%	0.416	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-38.6	175.3	-174.7	59.6	69.9	0	0	111.5	K162 A163 L169 N170	K162-Q166 WeakPolarHBondContact O-CB 3.22Å; K162-Q166 PolarHBondContact O-N 2.89Å; A163-Q166 WeakPolarHBondContact O-CB 3.33Å; A163-Q166 PolarHBondContact O-N 2.88Å; A163-Q166 VanDerWaalsContact O-N 3.13Å; Q166-L169 PolarHBondContact O-N 3.1Å; Q166-N170 PolarHBondContact NE2-OD1 2.97Å; Q166-N170 VanDerWaalsContact O-CB 3.3Å; Q166-N170 WeakPolarHBondContact O-CB 3.37Å; Q166-N170 PolarHBondContact O-N 2.94Å; Q166-N170 PolarHBondContact O-ND2 2.88Å; Q166-N170 VanDerWaalsContact O-ND2 3.14Å; Q166-N170 PolarHBondContact O-OD1 2.84Å
167	D	82.6	Confident	81.1	Confident	110 Å²	110	93.7 Å²	93.7	59%	0.588	48%	0.483	S	S	*	.	H	α-helix	trans	-68.3	-41.5	174.5	-79.2	-27.9	0	0	0	112.4	A163 S164 N170 A171	A163-D167 PolarHBondContact O-N 2.9Å; S164-D167 PolarHBondContact O-N 3.41Å; D167-N170 PolarHBondContact O-N 3.5Å; D167-A171 WeakPolarHBondContact O-CB 3.24Å; D167-A171 PolarHBondContact O-N 2.87Å
168	Q	84.4	Confident	81.5	Confident	117 Å²	117	98.5 Å²	98.5	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-44.3	171.9	-70.9	177.5	6.5	0	0	111.6	S164 L165 N170 A171 V172	S164-Q168 WeakPolarHBondContact O-CG 3.41Å; S164-Q168 PolarHBondContact O-N 2.89Å; L165-Q168 PolarHBondContact O-N 3.2Å; Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 2.9Å; Q168-A171 PolarHBondContact O-N 2.77Å; Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.89Å
169	L	83.2	Confident	81.9	Confident	77 Å²	77	99 Å²	99	40%	0.403	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-39.7	175.4	-179	61.4	0	0	0	111.8	L165 Q166 V172 K173	L165-L169 WeakPolarHBondContact O-CB 3.25Å; L165-L169 PolarHBondContact O-N 3.2Å; Q166-L169 PolarHBondContact O-N 3.1Å; L169-V172 PolarHBondContact O-N 3.16Å; L169-K173 HydrophobicContact CD1-CD 4.39Å; L169-K173 HydrophobicContact CD1-CG 4.41Å; L169-K173 HydrophobicContact CG-CD 4.2Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 VanDerWaalsContact O-CG 3.29Å; L169-K173 WeakPolarHBondContact O-CG 3.28Å; L169-K173 PolarHBondContact O-N 3.38Å
170	N	83.3	Confident	82.2	Confident	61 Å²	61	98.2 Å²	98.2	33%	0.326	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-39.5	175.2	-70.7	-20.6	0	0	0	111.5	Q166 D167 Q168 K173 K174	Q166-N170 PolarHBondContact NE2-OD1 2.97Å; Q166-N170 VanDerWaalsContact O-CB 3.3Å; Q166-N170 WeakPolarHBondContact O-CB 3.37Å; Q166-N170 PolarHBondContact O-N 2.94Å; Q166-N170 PolarHBondContact O-ND2 2.88Å; Q166-N170 VanDerWaalsContact O-ND2 3.14Å; Q166-N170 PolarHBondContact O-OD1 2.84Å; D167-N170 PolarHBondContact O-N 3.5Å; Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 2.9Å; N170-K173 PolarHBondContact O-N 2.77Å; N170-K174 VanDerWaalsContact O-CG 3.29Å; N170-K174 WeakPolarHBondContact O-CG 3.43Å; N170-K174 PolarHBondContact O-N 2.86Å
171	A	82.9	Confident	82.5	Confident	57 Å²	57	94.8 Å²	94.8	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-40.7	175.5	0	0	0	0	0	112.3	D167 Q168	D167-A171 WeakPolarHBondContact O-CB 3.24Å; D167-A171 PolarHBondContact O-N 2.87Å; Q168-A171 PolarHBondContact O-N 2.77Å
172	V	82.1	Confident	82.8	Confident	96 Å²	96	92.2 Å²	92.2	58%	0.582	49%	0.49	S	S	*	.	H	α-helix	trans	-67.8	-45.2	174.1	174.4	0	0	0	0	111.2	Q168 L169 K174 R175	Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.89Å; L169-V172 PolarHBondContact O-N 3.16Å; V172-K174 VanDerWaalsContact C-N 3.27Å; V172-K174 PolarHBondContact O-N 3.47Å; V172-R175 WeakPolarHBondContact O-CB 3.47Å; V172-R175 PolarHBondContact O-N 2.89Å
173	K	81.9	Confident	83.4	Confident	113 Å²	113	91.8 Å²	91.8	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-60.5	-33.6	177.9	-78.1	177.8	177.1	-179	0	113.1	L169 N170 R175 L176 P177	L169-K173 HydrophobicContact CD1-CD 4.39Å; L169-K173 HydrophobicContact CD1-CG 4.41Å; L169-K173 HydrophobicContact CG-CD 4.2Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 VanDerWaalsContact O-CG 3.29Å; L169-K173 WeakPolarHBondContact O-CG 3.28Å; L169-K173 PolarHBondContact O-N 3.38Å; N170-K173 PolarHBondContact O-N 2.77Å; K173-R175 PolarHBondContact O-N 2.71Å; K173-L176 HydrophobicContact CG-CD1 4.44Å; K173-L176 WeakPolarHBondContact O-CB 3.41Å; K173-L176 PolarHBondContact O-N 3.4Å; K173-L176 VanDerWaalsContact O-N 3.09Å; K173-P177 WeakPolarHBondContact O-CD 3.35Å
174	K	85.9	Confident	83.9	Confident	160 Å²	160	95 Å²	95	70%	0.696	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.8	174.5	-79.6	170.8	-179.4	178.3	0	114	N170 V172	N170-K174 VanDerWaalsContact O-CG 3.29Å; N170-K174 WeakPolarHBondContact O-CG 3.43Å; N170-K174 PolarHBondContact O-N 2.86Å; V172-K174 VanDerWaalsContact C-N 3.27Å; V172-K174 PolarHBondContact O-N 3.47Å
175	R	84.2	Confident	84.3	Confident	152 Å²	152	96.2 Å²	96.2	57%	0.574	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.4	175.7	-61.1	-175.9	63	-152.7	-6.5	114	V172 K173 E178 I179	V172-R175 WeakPolarHBondContact O-CB 3.47Å; V172-R175 PolarHBondContact O-N 2.89Å; K173-R175 PolarHBondContact O-N 2.71Å; R175-E178 PolarHBondContact O-N 3.35Å; R175-I179 WeakPolarHBondContact O-CG1 3.39Å; R175-I179 PolarHBondContact O-N 2.91Å
176	L	84.7	Confident	84.6	Confident	91 Å²	91	95.7 Å²	95.7	48%	0.476	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-48.4	179.3	-62.9	171.9	0	0	0	111.6	K173 E178 I179 D180	K173-L176 HydrophobicContact CG-CD1 4.44Å; K173-L176 WeakPolarHBondContact O-CB 3.41Å; K173-L176 PolarHBondContact O-N 3.4Å; K173-L176 VanDerWaalsContact O-N 3.09Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.5Å; L176-I179 CarbonylContact O-C 3.52Å; L176-I179 WeakPolarHBondContact O-CA 3.38Å; L176-I179 WeakPolarHBondContact O-CB 3.38Å; L176-I179 PolarHBondContact O-N 2.77Å; L176-D180 PolarHBondContact O-N 2.97Å
177	P	87.2	Confident	85	Confident	80 Å²	80	94.6 Å²	94.6	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-32.5	175.8	-26.4	36.2	0	0	0	114.6	K173 S181	K173-P177 WeakPolarHBondContact O-CD 3.35Å; P177-S181 WeakPolarHBondContact O-CB 3.48Å; P177-S181 PolarHBondContact O-N 2.91Å; P177-S181 PolarHBondContact O-OG 3.13Å
178	E	83.4	Confident	85.3	Confident	118 Å²	118	94.5 Å²	94.5	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-61.8	-48.1	173.4	-57.4	176.6	157.3	0	0	110.4	R175 L176 S181 A182	R175-E178 PolarHBondContact O-N 3.35Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.5Å; E178-S181 PolarHBondContact O-OG 2.88Å; E178-A182 PolarHBondContact O-N 3.3Å; E178-A182 VanDerWaalsContact O-N 3.14Å
179	I	84.8	Confident	85.3	Confident	81 Å²	81	91.6 Å²	91.6	42%	0.415	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-45	176.6	-64.6	165.2	0	0	0	111	R175 L176 S181 A182 L183	R175-I179 WeakPolarHBondContact O-CG1 3.39Å; R175-I179 PolarHBondContact O-N 2.91Å; L176-I179 CarbonylContact O-C 3.52Å; L176-I179 WeakPolarHBondContact O-CA 3.38Å; L176-I179 WeakPolarHBondContact O-CB 3.38Å; L176-I179 PolarHBondContact O-N 2.77Å; I179-S181 VanDerWaalsContact C-N 3.34Å; I179-S181 PolarHBondContact O-N 3.06Å; I179-A182 PolarHBondContact O-N 3.01Å; I179-A182 VanDerWaalsContact O-N 3.13Å; I179-L183 HydrophobicContact CG2-CD1 3.98Å; I179-L183 HydrophobicContact CG2-CG 4.27Å; I179-L183 WeakPolarHBondContact O-CG 3.21Å; I179-L183 PolarHBondContact O-N 3.24Å
180	D	85.1	Confident	85.5	Confident	87 Å²	87	93.2 Å²	93.2	47%	0.465	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-43.1	179.7	-63.1	-35.9	0	0	0	111.2	L176 A182 L183 L184	L176-D180 PolarHBondContact O-N 2.97Å; D180-A182 VanDerWaalsContact C-N 3.35Å; D180-A182 PolarHBondContact O-N 3.1Å; D180-L183 PolarHBondContact O-N 2.76Å; D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 2.95Å
181	S	84.4	Confident	85.8	Confident	72 Å²	72	96.4 Å²	96.4	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-37.7	174.6	71.8	0	0	0	0	113.2	P177 E178 I179 L185	P177-S181 WeakPolarHBondContact O-CB 3.48Å; P177-S181 PolarHBondContact O-N 2.91Å; P177-S181 PolarHBondContact O-OG 3.13Å; E178-S181 PolarHBondContact O-OG 2.88Å; I179-S181 VanDerWaalsContact C-N 3.34Å; I179-S181 PolarHBondContact O-N 3.06Å; S181-L185 PolarHBondContact O-N 2.86Å; S181-L185 VanDerWaalsContact O-N 3.13Å
182	A	83.3	Confident	85.9	Confident	45 Å²	45	97.9 Å²	97.9	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-37.9	176	0	0	0	0	0	111.9	E178 I179 D180 L185 L186	E178-A182 PolarHBondContact O-N 3.3Å; E178-A182 VanDerWaalsContact O-N 3.14Å; I179-A182 PolarHBondContact O-N 3.01Å; I179-A182 VanDerWaalsContact O-N 3.13Å; D180-A182 VanDerWaalsContact C-N 3.35Å; D180-A182 PolarHBondContact O-N 3.1Å; A182-L185 PolarHBondContact O-N 2.79Å; A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 VanDerWaalsContact O-CG 3.25Å; A182-L186 WeakPolarHBondContact O-CG 3.22Å; A182-L186 PolarHBondContact O-N 3.4Å
183	L	88.6	Confident	86	Confident	102 Å²	102	97.9 Å²	97.9	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-42	174.9	-72.7	172.9	0	0	0	111.8	I179 D180 L186 S187	I179-L183 HydrophobicContact CG2-CD1 3.98Å; I179-L183 HydrophobicContact CG2-CG 4.27Å; I179-L183 WeakPolarHBondContact O-CG 3.21Å; I179-L183 PolarHBondContact O-N 3.24Å; D180-L183 PolarHBondContact O-N 2.76Å; L183-L186 PolarHBondContact O-N 2.78Å; L183-S187 WeakPolarHBondContact O-CB 3.36Å; L183-S187 PolarHBondContact O-N 2.99Å
184	L	90.3	Very high	86.3	Confident	121 Å²	121	96.9 Å²	96.9	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-60.1	-51.3	174.2	-72.7	170.6	0	0	0	111.4	D180 L186 S187 E188	D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 2.95Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-N 3.24Å; L184-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 PolarHBondContact O-OG 2.75Å; L184-E188 PolarHBondContact O-N 3.45Å
185	L	86.3	Confident	86.6	Confident	83 Å²	83	93.6 Å²	93.6	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-37.5	178.8	179.6	140.4	0	0	0	112.6	S181 A182 E188 I189	S181-L185 PolarHBondContact O-N 2.86Å; S181-L185 VanDerWaalsContact O-N 3.13Å; A182-L185 PolarHBondContact O-N 2.79Å; L185-E188 PolarHBondContact O-N 2.91Å; L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 HydrophobicContact CG-CD1 4.19Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 2.77Å
186	L	86.7	Confident	86.6	Confident	98 Å²	98	91.8 Å²	91.8	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-39.5	173.3	-73.2	166.5	0	0	0	112	A182 L183 L184 I189 L190	A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 VanDerWaalsContact O-CG 3.25Å; A182-L186 WeakPolarHBondContact O-CG 3.22Å; A182-L186 PolarHBondContact O-N 3.4Å; L183-L186 PolarHBondContact O-N 2.78Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 3.39Å; L186-I189 PolarHBondContact O-N 2.9Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 3.28Å
187	S	89.1	Confident	86.8	Confident	65 Å²	65	93.1 Å²	93.1	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-38.3	176.7	74.9	0	0	0	0	112.4	L183 L184 L190 Q191	L183-S187 WeakPolarHBondContact O-CB 3.36Å; L183-S187 PolarHBondContact O-N 2.99Å; L184-S187 PolarHBondContact O-N 3.24Å; L184-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 PolarHBondContact O-OG 2.75Å; S187-L190 PolarHBondContact O-N 2.99Å; S187-Q191 PolarHBondContact O-N 2.86Å
188	E	89.6	Confident	87	Confident	108 Å²	108	91.8 Å²	91.8	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-47.5	174.7	-165.9	-170	162	0	0	111.2	L184 L185 L190 Q191 Q192	L184-E188 PolarHBondContact O-N 3.45Å; L185-E188 PolarHBondContact O-N 2.91Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.45Å; E188-Q191 PolarHBondContact O-N 3.46Å; E188-Q191 VanDerWaalsContact O-N 3.14Å; E188-Q192 HydrophobicContact CG-CG 4.49Å; E188-Q192 WeakPolarHBondContact O-CG 3.47Å; E188-Q192 PolarHBondContact O-N 2.98Å; E188-Q192 PolarHBondContact OE1-NE2 3Å
189	I	84	Confident	87.5	Confident	56 Å²	56	89.1 Å²	89.1	29%	0.287	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-40.6	178	-69.6	169	0	0	0	111.2	L185 L186 Q191 Q192 L193	L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 HydrophobicContact CG-CD1 4.19Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 2.77Å; L186-I189 PolarHBondContact O-N 2.9Å; I189-Q191 VanDerWaalsContact C-N 3.35Å; I189-Q191 PolarHBondContact O-N 3.21Å; I189-Q192 PolarHBondContact O-N 3.22Å; I189-L193 HydrophobicContact CG2-CD1 3.97Å; I189-L193 HydrophobicContact CG2-CG 4.39Å; I189-L193 WeakPolarHBondContact O-CB 3.5Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 3.12Å
190	L	88.5	Confident	87.6	Confident	112 Å²	112	89.1 Å²	89.1	59%	0.586	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-38.3	175.5	-72.5	170.1	0	0	0	112.2	L186 S187 E188 T194	L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 3.28Å; S187-L190 PolarHBondContact O-N 2.99Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.45Å; L190-T194 WeakPolarHBondContact O-CB 3.32Å; L190-T194 PolarHBondContact O-N 2.91Å; L190-T194 PolarHBondContact O-OG1 2.87Å
191	Q	89.9	Confident	87.9	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	48%	0.478	S	S	*	.	H	α-helix	trans	-69.4	-42.7	175	-168.9	175.2	12.9	0	0	111.8	S187 E188 I189 L193 T194 N195	S187-Q191 PolarHBondContact O-N 2.86Å; E188-Q191 PolarHBondContact O-N 3.46Å; E188-Q191 VanDerWaalsContact O-N 3.14Å; I189-Q191 VanDerWaalsContact C-N 3.35Å; I189-Q191 PolarHBondContact O-N 3.21Å; Q191-L193 PolarHBondContact O-N 2.89Å; Q191-T194 PolarHBondContact O-N 2.82Å; Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 2.94Å; Q191-N195 PolarHBondContact O-OD1 3.45Å
192	Q	83.6	Confident	88.3	Confident	88 Å²	88	90.3 Å²	90.3	41%	0.411	48%	0.48	S	S	.	.	H	α-helix	trans	-60	-45.4	175	-71	179.2	13.5	0	0	111.6	E188 I189 T194 N195 Q196	E188-Q192 HydrophobicContact CG-CG 4.49Å; E188-Q192 WeakPolarHBondContact O-CG 3.47Å; E188-Q192 PolarHBondContact O-N 2.98Å; E188-Q192 PolarHBondContact OE1-NE2 3Å; I189-Q192 PolarHBondContact O-N 3.22Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 2.83Å; Q192-N195 PolarHBondContact O-N 3.09Å; Q192-Q196 WeakPolarHBondContact O-CB 3.31Å; Q192-Q196 WeakPolarHBondContact O-CG 3.37Å; Q192-Q196 PolarHBondContact O-N 2.72Å
193	L	84	Confident	88.6	Confident	97 Å²	97	92.7 Å²	92.7	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.1	-74.8	169.6	0	0	0	112.4	I189 Q191 K197	I189-L193 HydrophobicContact CG2-CD1 3.97Å; I189-L193 HydrophobicContact CG2-CG 4.39Å; I189-L193 WeakPolarHBondContact O-CB 3.5Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 3.12Å; Q191-L193 PolarHBondContact O-N 2.89Å; L193-K197 WeakPolarHBondContact O-CB 3.4Å; L193-K197 PolarHBondContact O-N 2.82Å
194	T	89.4	Confident	88.7	Confident	91 Å²	91	91.5 Å²	91.5	56%	0.558	48%	0.48	S	S	*	.	H	α-helix	trans	-66.1	-44.7	177.4	-56.6	0	0	0	0	111.2	L190 Q191 Q192 K197 S198	L190-T194 WeakPolarHBondContact O-CB 3.32Å; L190-T194 PolarHBondContact O-N 2.91Å; L190-T194 PolarHBondContact O-OG1 2.87Å; Q191-T194 PolarHBondContact O-N 2.82Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 2.83Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 2.86Å; T194-S198 PolarHBondContact O-N 2.81Å; T194-S198 VanDerWaalsContact O-N 3.13Å; T194-S198 PolarHBondContact O-OG 2.99Å
195	N	90.7	Very high	88.8	Confident	91 Å²	91	92 Å²	92	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-68.3	-37.1	177.9	-64.6	-7.3	0	0	0	112.4	Q191 Q192 S198 S199	Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 2.94Å; Q191-N195 PolarHBondContact O-OD1 3.45Å; Q192-N195 PolarHBondContact O-N 3.09Å; N195-S198 PolarHBondContact O-OG 3.29Å; N195-S199 PolarHBondContact O-N 3.29Å; N195-S199 VanDerWaalsContact O-N 3.08Å
196	Q	85.9	Confident	89.2	Confident	114 Å²	114	91.8 Å²	91.8	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-65.9	-40.7	173.7	-77.2	178.9	-6.9	0	0	111.3	Q192 S199 I200	Q192-Q196 WeakPolarHBondContact O-CB 3.31Å; Q192-Q196 WeakPolarHBondContact O-CG 3.37Å; Q192-Q196 PolarHBondContact O-N 2.72Å; Q196-S199 PolarHBondContact O-N 2.69Å; Q196-I200 WeakPolarHBondContact O-CB 3.28Å; Q196-I200 WeakPolarHBondContact O-CD1 3.33Å; Q196-I200 VanDerWaalsContact O-CG1 3.28Å; Q196-I200 WeakPolarHBondContact O-CG1 3.46Å; Q196-I200 PolarHBondContact O-N 2.77Å
197	K	88.4	Confident	89.2	Confident	119 Å²	119	90.5 Å²	90.5	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-57.4	-51.6	174.4	-179.1	-171.1	172.8	-81.2	0	111.3	L193 T194 S199 I200 E201	L193-K197 WeakPolarHBondContact O-CB 3.4Å; L193-K197 PolarHBondContact O-N 2.82Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 2.86Å; K197-S199 PolarHBondContact O-N 3.25Å; K197-I200 PolarHBondContact O-N 3.49Å; K197-E201 WeakPolarHBondContact CE-OE1 3.28Å; K197-E201 IonicContact NZ-OE1 2.74Å; K197-E201 PolarHBondContact NZ-OE1 2.9Å; K197-E201 IonicContact NZ-OE2 2.98Å; K197-E201 PolarHBondContact NZ-OE2 3.44Å; K197-E201 WeakPolarHBondContact O-CG 3.29Å; K197-E201 PolarHBondContact O-N 3.4Å
198	S	91.4	Very high	89.3	Confident	53 Å²	53	92.2 Å²	92.2	37%	0.371	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-40.7	-179	55.4	0	0	0	0	112.3	T194 N195 I200 E201 D202	T194-S198 PolarHBondContact O-N 2.81Å; T194-S198 VanDerWaalsContact O-N 3.13Å; T194-S198 PolarHBondContact O-OG 2.99Å; N195-S198 PolarHBondContact O-OG 3.29Å; S198-I200 VanDerWaalsContact C-N 3.31Å; S198-I200 PolarHBondContact O-N 2.92Å; S198-E201 PolarHBondContact O-N 3.25Å; S198-D202 PolarHBondContact O-N 2.95Å
199	S	92.8	Very high	89.5	Confident	62 Å²	62	90.5 Å²	90.5	43%	0.434	47%	0.471	S	S	.	.	H	α-helix	trans	-59.3	-41.6	174.8	-168.9	0	0	0	0	112.3	N195 Q196 K197 D202 D203	N195-S199 PolarHBondContact O-N 3.29Å; N195-S199 VanDerWaalsContact O-N 3.08Å; Q196-S199 PolarHBondContact O-N 2.69Å; K197-S199 PolarHBondContact O-N 3.25Å; S199-D202 PolarHBondContact O-N 3.41Å; S199-D203 WeakPolarHBondContact O-CB 3.22Å; S199-D203 VanDerWaalsContact O-CG 3.29Å; S199-D203 PolarHBondContact O-N 2.7Å
200	I	88.4	Confident	89.8	Confident	80 Å²	80	93.4 Å²	93.4	41%	0.41	48%	0.483	S	S	.	.	H	α-helix	trans	-71.2	-33.3	178.5	-68.4	165.5	0	0	0	111.2	Q196 K197 S198 I204	Q196-I200 WeakPolarHBondContact O-CB 3.28Å; Q196-I200 WeakPolarHBondContact O-CD1 3.33Å; Q196-I200 VanDerWaalsContact O-CG1 3.28Å; Q196-I200 WeakPolarHBondContact O-CG1 3.46Å; Q196-I200 PolarHBondContact O-N 2.77Å; K197-I200 PolarHBondContact O-N 3.49Å; S198-I200 VanDerWaalsContact C-N 3.31Å; S198-I200 PolarHBondContact O-N 2.92Å; I200-I204 HydrophobicContact CG2-CD1 3.86Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CB 3.42Å; I200-I204 WeakPolarHBondContact O-CD1 3.39Å; I200-I204 WeakPolarHBondContact O-CG1 3.4Å; I200-I204 PolarHBondContact O-N 2.9Å
201	E	90.8	Very high	89.8	Confident	83 Å²	83	91.7 Å²	91.7	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-44	172.1	-73.5	173.5	138.9	0	0	111.3	K197 S198 I204 H205	K197-E201 WeakPolarHBondContact CE-OE1 3.28Å; K197-E201 IonicContact NZ-OE1 2.74Å; K197-E201 PolarHBondContact NZ-OE1 2.9Å; K197-E201 IonicContact NZ-OE2 2.98Å; K197-E201 PolarHBondContact NZ-OE2 3.44Å; K197-E201 WeakPolarHBondContact O-CG 3.29Å; K197-E201 PolarHBondContact O-N 3.4Å; S198-E201 PolarHBondContact O-N 3.25Å; E201-I204 PolarHBondContact O-N 3.43Å; E201-H205 PolarHBondContact O-CD2 2.95Å; E201-H205 PolarHBondContact O-N 2.96Å
202	D	93.5	Very high	89.8	Confident	102 Å²	102	91.1 Å²	91.1	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-41	175	-70.1	-31.5	0	0	0	112.4	S198 S199 H205 T206	S198-D202 PolarHBondContact O-N 2.95Å; S199-D202 PolarHBondContact O-N 3.41Å; D202-H205 PolarHBondContact O-N 2.83Å; D202-T206 WeakPolarHBondContact O-CB 3.5Å; D202-T206 PolarHBondContact O-N 3Å; D202-T206 PolarHBondContact O-OG1 3.47Å
203	D	89.1	Confident	90.2	Very high	95 Å²	95	92.4 Å²	92.4	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-42.8	174.9	-75.6	-34.5	0	0	0	111.7	S199 T207	S199-D203 WeakPolarHBondContact O-CB 3.22Å; S199-D203 VanDerWaalsContact O-CG 3.29Å; S199-D203 PolarHBondContact O-N 2.7Å; D203-T207 WeakPolarHBondContact O-CB 3.41Å; D203-T207 WeakPolarHBondContact O-CG2 3.33Å; D203-T207 PolarHBondContact O-N 3.43Å; D203-T207 PolarHBondContact O-OG1 2.92Å
204	I	89.5	Confident	90.3	Very high	77 Å²	77	92.4 Å²	92.4	40%	0.395	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-46.1	176	-72.6	165.6	0	0	0	110.3	I200 E201 T207 F208	I200-I204 HydrophobicContact CG2-CD1 3.86Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CB 3.42Å; I200-I204 WeakPolarHBondContact O-CD1 3.39Å; I200-I204 WeakPolarHBondContact O-CG1 3.4Å; I200-I204 PolarHBondContact O-N 2.9Å; E201-I204 PolarHBondContact O-N 3.43Å; I204-T207 PolarHBondContact O-OG1 2.67Å; I204-F208 HydrophobicContact CG2-CD2 4.26Å; I204-F208 HydrophobicContact CG2-CE2 4.49Å; I204-F208 WeakPolarHBondContact O-CD2 3.3Å; I204-F208 PolarHBondContact O-N 2.94Å
205	H	93.2	Very high	90.3	Very high	132 Å²	132	92.9 Å²	92.9	61%	0.611	48%	0.478	S	S	*	.	H	α-helix	trans	-60.5	-50.6	177.4	-80.5	-60.1	0	0	0	111.2	E201 D202 T207 F208 D209	E201-H205 PolarHBondContact O-CD2 2.95Å; E201-H205 PolarHBondContact O-N 2.96Å; D202-H205 PolarHBondContact O-N 2.83Å; H205-T207 PolarHBondContact O-N 2.91Å; H205-F208 PolarHBondContact O-N 3.21Å; H205-D209 WeakPolarHBondContact O-CB 3.3Å; H205-D209 PolarHBondContact O-N 2.99Å
206	T	93.9	Very high	90.3	Very high	77 Å²	77	92.4 Å²	92.4	47%	0.472	48%	0.476	S	S	.	.	H	α-helix	trans	-61.2	-45.3	-176.8	-54.8	0	0	0	0	112.2	D202 D209 E210	D202-T206 WeakPolarHBondContact O-CB 3.5Å; D202-T206 PolarHBondContact O-N 3Å; D202-T206 PolarHBondContact O-OG1 3.47Å; T206-D209 WeakPolarHBondContact O-CB 3.35Å; T206-D209 PolarHBondContact O-N 3.32Å; T206-E210 PolarHBondContact O-N 3.02Å
207	T	88.4	Confident	90.7	Very high	72 Å²	72	91.5 Å²	91.5	44%	0.442	48%	0.478	S	S	.	.	H	α-helix	trans	-67.9	-39.7	-178.3	50.3	0	0	0	0	113.1	D203 I204 H205 E210 L211	D203-T207 WeakPolarHBondContact O-CB 3.41Å; D203-T207 WeakPolarHBondContact O-CG2 3.33Å; D203-T207 PolarHBondContact O-N 3.43Å; D203-T207 PolarHBondContact O-OG1 2.92Å; I204-T207 PolarHBondContact O-OG1 2.67Å; H205-T207 PolarHBondContact O-N 2.91Å; T207-E210 PolarHBondContact O-N 2.97Å; T207-L211 WeakPolarHBondContact O-CG 3.39Å; T207-L211 PolarHBondContact O-N 3.26Å; T207-L211 VanDerWaalsContact O-N 3.12Å
208	F	90.8	Very high	90.8	Very high	100 Å²	100	91.4 Å²	91.4	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-69.5	-34.7	174.9	-85.3	-99.4	0	0	0	112.4	I204 H205 L211 Q212	I204-F208 HydrophobicContact CG2-CD2 4.26Å; I204-F208 HydrophobicContact CG2-CE2 4.49Å; I204-F208 WeakPolarHBondContact O-CD2 3.3Å; I204-F208 PolarHBondContact O-N 2.94Å; H205-F208 PolarHBondContact O-N 3.21Å; F208-L211 PolarHBondContact O-N 2.88Å; F208-Q212 WeakPolarHBondContact O-CB 3.4Å; F208-Q212 PolarHBondContact O-N 2.84Å
209	D	92.9	Very high	90.8	Very high	73 Å²	73	95 Å²	95	39%	0.39	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-43	173.1	-118.9	45.3	0	0	0	112.3	H205 T206 Q212 K213	H205-D209 WeakPolarHBondContact O-CB 3.3Å; H205-D209 PolarHBondContact O-N 2.99Å; T206-D209 WeakPolarHBondContact O-CB 3.35Å; T206-D209 PolarHBondContact O-N 3.32Å; D209-Q212 PolarHBondContact O-N 3.15Å; D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 VanDerWaalsContact O-CD 3.26Å; D209-K213 WeakPolarHBondContact O-CD 3.48Å; D209-K213 WeakPolarHBondContact O-CG 3.43Å; D209-K213 PolarHBondContact O-N 3.02Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 2.86Å; D209-K213 PolarHBondContact OD2-NZ 3.02Å
210	E	89.9	Confident	90.9	Very high	116 Å²	116	95.6 Å²	95.6	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-66.9	-40.4	175.9	-72.7	-170.5	161.9	0	0	112.8	T206 T207 Q212 K213 T214	T206-E210 PolarHBondContact O-N 3.02Å; T207-E210 PolarHBondContact O-N 2.97Å; E210-Q212 VanDerWaalsContact C-N 3.34Å; E210-K213 PolarHBondContact O-N 3.22Å; E210-T214 WeakPolarHBondContact O-CB 3.49Å; E210-T214 PolarHBondContact O-N 2.82Å; E210-T214 PolarHBondContact O-OG1 3.01Å
211	L	88.6	Confident	91.1	Very high	76 Å²	76	94.7 Å²	94.7	40%	0.398	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-41.8	173.1	-70.2	171.5	0	0	0	111.2	T207 F208 T214 L215 L315	T207-L211 WeakPolarHBondContact O-CG 3.39Å; T207-L211 PolarHBondContact O-N 3.26Å; T207-L211 VanDerWaalsContact O-N 3.12Å; F208-L211 PolarHBondContact O-N 2.88Å; L211-T214 PolarHBondContact O-N 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.1Å; L211-L215 PolarHBondContact O-N 2.88Å; L211-L315 HydrophobicContact CD1-CD1 4.49Å; L211-L315 HydrophobicContact CD1-CD2 4.24Å
212	Q	91.2	Very high	91	Very high	116 Å²	116	93.5 Å²	93.5	54%	0.542	48%	0.481	S	S	.	.	H	α-helix	trans	-65.9	-42.1	176.6	-165.7	-175.6	18.2	0	0	112	F208 D209 E210 T214 L215 N216	F208-Q212 WeakPolarHBondContact O-CB 3.4Å; F208-Q212 PolarHBondContact O-N 2.84Å; D209-Q212 PolarHBondContact O-N 3.15Å; E210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-T214 VanDerWaalsContact C-N 3.33Å; Q212-T214 PolarHBondContact O-N 2.65Å; Q212-L215 PolarHBondContact O-N 3.48Å; Q212-N216 WeakPolarHBondContact O-CB 3.14Å; Q212-N216 PolarHBondContact O-N 2.76Å; Q212-N216 PolarHBondContact O-ND2 2.94Å
213	K	91.5	Very high	91	Very high	115 Å²	115	92.9 Å²	92.9	50%	0.5	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-45.6	173.3	-71.3	155.8	-163.3	156.7	0	110.7	D209 E210 N216 V217	D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 VanDerWaalsContact O-CD 3.26Å; D209-K213 WeakPolarHBondContact O-CD 3.48Å; D209-K213 WeakPolarHBondContact O-CG 3.43Å; D209-K213 PolarHBondContact O-N 3.02Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 2.86Å; D209-K213 PolarHBondContact OD2-NZ 3.02Å; E210-K213 PolarHBondContact O-N 3.22Å; K213-N216 PolarHBondContact O-N 2.78Å; K213-V217 WeakPolarHBondContact O-CG2 3.4Å; K213-V217 PolarHBondContact O-N 2.97Å
214	T	86.8	Confident	91.2	Very high	96 Å²	96	94.3 Å²	94.3	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-62.2	-43.9	178.4	-55.6	0	0	0	0	112.6	E210 L211 Q212 V217 R218	E210-T214 WeakPolarHBondContact O-CB 3.49Å; E210-T214 PolarHBondContact O-N 2.82Å; E210-T214 PolarHBondContact O-OG1 3.01Å; L211-T214 PolarHBondContact O-N 3.25Å; Q212-T214 VanDerWaalsContact C-N 3.33Å; Q212-T214 PolarHBondContact O-N 2.65Å; T214-V217 PolarHBondContact O-N 2.87Å; T214-R218 PolarHBondContact O-N 3.44Å; T214-R218 VanDerWaalsContact O-N 3.11Å
215	L	88.4	Confident	91.3	Very high	101 Å²	101	93.5 Å²	93.5	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-63.7	-41.7	175.4	-72.7	169.4	0	0	0	112.1	L211 Q212 V217 R218 K219 L308	L211-L215 WeakPolarHBondContact O-CG 3.1Å; L211-L215 PolarHBondContact O-N 2.88Å; Q212-L215 PolarHBondContact O-N 3.48Å; L215-V217 VanDerWaalsContact C-N 3.35Å; L215-V217 PolarHBondContact O-N 2.92Å; L215-R218 PolarHBondContact O-N 3.35Å; L215-K219 PolarHBondContact O-N 3.42Å; L215-L308 HydrophobicContact CD2-CD2 4.49Å
216	N	91.9	Very high	91.3	Very high	82 Å²	82	91.4 Å²	91.4	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-38.1	175.4	-79	-38.3	0	0	0	112.3	Q212 K213 K219 S220	Q212-N216 WeakPolarHBondContact O-CB 3.14Å; Q212-N216 PolarHBondContact O-N 2.76Å; Q212-N216 PolarHBondContact O-ND2 2.94Å; K213-N216 PolarHBondContact O-N 2.78Å; N216-K219 WeakPolarHBondContact O-CB 3.38Å; N216-K219 PolarHBondContact O-N 3.05Å; N216-S220 PolarHBondContact O-N 2.78Å; N216-S220 PolarHBondContact O-OG 2.83Å
217	V	93	Very high	91.3	Very high	95 Å²	95	94 Å²	94	58%	0.576	48%	0.477	S	S	*	.	H	α-helix	trans	-62.1	-48.2	173.4	170.6	0	0	0	0	111	K213 T214 L215 K219 S220 V221	K213-V217 WeakPolarHBondContact O-CG2 3.4Å; K213-V217 PolarHBondContact O-N 2.97Å; T214-V217 PolarHBondContact O-N 2.87Å; L215-V217 VanDerWaalsContact C-N 3.35Å; L215-V217 PolarHBondContact O-N 2.92Å; V217-K219 VanDerWaalsContact C-N 3.3Å; V217-K219 PolarHBondContact O-N 2.91Å; V217-S220 PolarHBondContact O-N 3.41Å; V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 3.02Å
218	R	90.3	Very high	91.5	Very high	116 Å²	116	94.1 Å²	94.1	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-35.6	178	-177.6	58.2	-171.5	148.4	3.9	112.3	T214 L215 V221 L222 E225	T214-R218 PolarHBondContact O-N 3.44Å; T214-R218 VanDerWaalsContact O-N 3.11Å; L215-R218 PolarHBondContact O-N 3.35Å; R218-V221 VanDerWaalsContact NH1-CG1 3.29Å; R218-V221 PolarHBondContact O-N 3.46Å; R218-L222 HydrophobicContact CG-CD1 4.13Å; R218-L222 VanDerWaalsContact NH2-CD2 3.26Å; R218-L222 WeakPolarHBondContact O-CG 3.41Å; R218-L222 PolarHBondContact O-N 2.96Å; R218-E225 IonicContact CZ-OE1 3.33Å; R218-E225 IonicContact CZ-OE2 2.67Å; R218-E225 IonicContact NH1-OE1 3.6Å; R218-E225 PolarHBondContact NH1-OE1 3.24Å; R218-E225 IonicContact NH1-OE2 2.68Å; R218-E225 IonicContact NH2-OE1 3.58Å; R218-E225 PolarHBondContact NH2-OE1 3.31Å; R218-E225 IonicContact NH2-OE2 2.64Å; R218-E225 PolarHBondContact NH2-OE2 3.13Å
219	K	92.4	Very high	91.2	Very high	129 Å²	129	93.1 Å²	93.1	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-58.2	-49	172	177.2	-172.8	172.3	-173	0	111.7	L215 N216 V217 V221 L222 L223	L215-K219 PolarHBondContact O-N 3.42Å; N216-K219 WeakPolarHBondContact O-CB 3.38Å; N216-K219 PolarHBondContact O-N 3.05Å; V217-K219 VanDerWaalsContact C-N 3.3Å; V217-K219 PolarHBondContact O-N 2.91Å; K219-V221 VanDerWaalsContact C-N 3.34Å; K219-V221 PolarHBondContact O-N 3.25Å; K219-L222 PolarHBondContact O-N 2.87Å; K219-L223 HydrophobicContact CG-CD1 4.36Å; K219-L223 WeakPolarHBondContact O-CG 3.32Å; K219-L223 PolarHBondContact O-N 2.98Å; K219-L223 VanDerWaalsContact O-N 3.11Å
220	S	94.8	Very high	91.3	Very high	74 Å²	74	95.5 Å²	95.5	52%	0.517	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-39.3	178.8	-61.4	0	0	0	0	112.4	N216 V217 L223 M224	N216-S220 PolarHBondContact O-N 2.78Å; N216-S220 PolarHBondContact O-OG 2.83Å; V217-S220 PolarHBondContact O-N 3.41Å; S220-L223 PolarHBondContact O-N 3.12Å; S220-M224 PolarHBondContact O-N 3.24Å; S220-M224 VanDerWaalsContact O-N 3.08Å
221	V	91.3	Very high	91.4	Very high	62 Å²	62	92.4 Å²	92.4	38%	0.376	48%	0.475	S	S	.	.	H	α-helix	trans	-65.2	-41.5	175.8	179.9	0	0	0	0	111.5	V217 R218 K219 L223 M224 E225	V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 3.02Å; R218-V221 VanDerWaalsContact NH1-CG1 3.29Å; R218-V221 PolarHBondContact O-N 3.46Å; K219-V221 VanDerWaalsContact C-N 3.34Å; K219-V221 PolarHBondContact O-N 3.25Å; V221-L223 VanDerWaalsContact C-N 3.33Å; V221-L223 PolarHBondContact O-N 3.11Å; V221-M224 PolarHBondContact O-N 3.26Å; V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 WeakPolarHBondContact CG1-OE1 3.43Å; V221-E225 WeakPolarHBondContact O-CB 3.47Å; V221-E225 WeakPolarHBondContact O-CG 3.47Å; V221-E225 PolarHBondContact O-N 3.33Å
222	L	90.2	Very high	91.5	Very high	57 Å²	57	93.7 Å²	93.7	30%	0.298	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-37	175.7	-79.9	163.5	0	0	0	113.1	R218 K219 L226 F301	R218-L222 HydrophobicContact CG-CD1 4.13Å; R218-L222 VanDerWaalsContact NH2-CD2 3.26Å; R218-L222 WeakPolarHBondContact O-CG 3.41Å; R218-L222 PolarHBondContact O-N 2.96Å; K219-L222 PolarHBondContact O-N 2.87Å; L222-L226 PolarHBondContact O-N 3.47Å; L222-L226 VanDerWaalsContact O-N 3.07Å; L222-F301 HydrophobicContact CD1-CE2 4.41Å
223	L	93.4	Very high	91.5	Very high	90 Å²	90	89.9 Å²	89.9	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-42.5	175.2	-68.7	169.4	0	0	0	111.3	K219 S220 V221 L226 E227	K219-L223 HydrophobicContact CG-CD1 4.36Å; K219-L223 WeakPolarHBondContact O-CG 3.32Å; K219-L223 PolarHBondContact O-N 2.98Å; K219-L223 VanDerWaalsContact O-N 3.11Å; S220-L223 PolarHBondContact O-N 3.12Å; V221-L223 VanDerWaalsContact C-N 3.33Å; V221-L223 PolarHBondContact O-N 3.11Å; L223-L226 WeakPolarHBondContact O-CB 3.25Å; L223-L226 PolarHBondContact O-N 3.03Å; L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.34Å
224	M	93.8	Very high	91.6	Very high	125 Å²	125	88.9 Å²	88.9	62%	0.616	46%	0.461	S	S	*	.	H	α-helix	trans	-66.1	-38.3	175.4	-168.4	179.3	-176.6	0	0	112.4	S220 V221 L226 E227 V228	S220-M224 PolarHBondContact O-N 3.24Å; S220-M224 VanDerWaalsContact O-N 3.08Å; V221-M224 PolarHBondContact O-N 3.26Å; M224-L226 VanDerWaalsContact C-N 3.32Å; M224-L226 PolarHBondContact O-N 3.36Å; M224-E227 PolarHBondContact O-N 2.89Å; M224-V228 WeakPolarHBondContact O-CG2 3.49Å; M224-V228 PolarHBondContact O-N 3.43Å
225	E	90.1	Very high	92	Very high	60 Å²	60	91.9 Å²	91.9	28%	0.28	47%	0.466	S	S	.	.	H	α-helix	trans	-57.4	-44.2	171	-78.2	168.5	-163.4	0	0	110.8	R218 V221 N229	R218-E225 IonicContact CZ-OE1 3.33Å; R218-E225 IonicContact CZ-OE2 2.67Å; R218-E225 IonicContact NH1-OE1 3.6Å; R218-E225 PolarHBondContact NH1-OE1 3.24Å; R218-E225 IonicContact NH1-OE2 2.68Å; R218-E225 IonicContact NH2-OE1 3.58Å; R218-E225 PolarHBondContact NH2-OE1 3.31Å; R218-E225 IonicContact NH2-OE2 2.64Å; R218-E225 PolarHBondContact NH2-OE2 3.13Å; V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 WeakPolarHBondContact CG1-OE1 3.43Å; V221-E225 WeakPolarHBondContact O-CB 3.47Å; V221-E225 WeakPolarHBondContact O-CG 3.47Å; V221-E225 PolarHBondContact O-N 3.33Å; E225-N229 PolarHBondContact O-N 2.99Å; E225-N229 VanDerWaalsContact O-N 3.15Å; E225-N229 PolarHBondContact O-ND2 3.32Å
226	L	93.1	Very high	92.2	Very high	88 Å²	88	90.2 Å²	90.2	46%	0.461	46%	0.459	S	S	.	.	H	α-helix	trans	-66	-47.9	177.9	178	61.6	0	0	0	112.5	L222 L223 M224 V228 N229 Y230 L299	L222-L226 PolarHBondContact O-N 3.47Å; L222-L226 VanDerWaalsContact O-N 3.07Å; L223-L226 WeakPolarHBondContact O-CB 3.25Å; L223-L226 PolarHBondContact O-N 3.03Å; M224-L226 VanDerWaalsContact C-N 3.32Å; M224-L226 PolarHBondContact O-N 3.36Å; L226-V228 VanDerWaalsContact C-N 3.34Å; L226-V228 PolarHBondContact O-N 2.94Å; L226-N229 PolarHBondContact O-N 3.08Å; L226-Y230 WeakPolarHBondContact O-CB 3.39Å; L226-Y230 PolarHBondContact O-N 2.74Å; L226-L299 HydrophobicContact CD1-CD1 4.4Å; L226-L299 HydrophobicContact CD1-CD2 4.33Å
227	E	94.4	Very high	92.2	Very high	132 Å²	132	89.5 Å²	89.5	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-58.7	-43.2	179	-74.7	175.7	-177.1	0	0	112.1	L223 M224 A231	L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.34Å; M224-E227 PolarHBondContact O-N 2.89Å; E227-A231 VanDerWaalsContact O-CB 3.3Å; E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 2.82Å
228	V	92.6	Very high	92.3	Very high	74 Å²	74	89.1 Å²	89.1	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-66	-45.3	177.9	171	0	0	0	0	111.6	M224 L226 A231 L232	M224-V228 WeakPolarHBondContact O-CG2 3.49Å; M224-V228 PolarHBondContact O-N 3.43Å; L226-V228 VanDerWaalsContact C-N 3.34Å; L226-V228 PolarHBondContact O-N 2.94Å; V228-A231 PolarHBondContact O-N 3.19Å; V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 VanDerWaalsContact O-CG 3.3Å; V228-L232 WeakPolarHBondContact O-CG 3.38Å; V228-L232 PolarHBondContact O-N 3.17Å
229	N	85.3	Confident	92.5	Very high	79 Å²	79	86 Å²	86	42%	0.422	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-40.5	178.5	-80.6	-75	0	0	0	112.1	E225 L226 K233 L299	E225-N229 PolarHBondContact O-N 2.99Å; E225-N229 VanDerWaalsContact O-N 3.15Å; E225-N229 PolarHBondContact O-ND2 3.32Å; L226-N229 PolarHBondContact O-N 3.08Å; N229-K233 PolarHBondContact O-N 3.09Å; N229-K233 VanDerWaalsContact O-N 3.14Å; N229-L299 HydrophobicContact CB-CD2 4.38Å
230	Y	93.8	Very high	92.5	Very high	122 Å²	122	81 Å²	81	48%	0.478	43%	0.425	S	S	.	.	H	α-helix	trans	-60.5	-50.5	173	171.4	-95.9	0	0	0	111.5	L226 L232 K233 Q234 L299	L226-Y230 WeakPolarHBondContact O-CB 3.39Å; L226-Y230 PolarHBondContact O-N 2.74Å; Y230-L232 VanDerWaalsContact C-N 3.33Å; Y230-L232 PolarHBondContact O-N 3.12Å; Y230-K233 PolarHBondContact O-N 3.4Å; Y230-Q234 VanDerWaalsContact O-CB 3.31Å; Y230-Q234 WeakPolarHBondContact O-CB 3.49Å; Y230-Q234 PolarHBondContact O-N 3.43Å; Y230-Q234 PolarHBondContact OH-OE1 3.44Å; Y230-L299 HydrophobicContact CD2-CD1 4.15Å
231	A	93.6	Very high	92.5	Very high	51 Å²	51	81.6 Å²	81.6	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-36.1	-178.1	0	0	0	0	0	113	E227 V228 K235	E227-A231 VanDerWaalsContact O-CB 3.3Å; E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 2.82Å; V228-A231 PolarHBondContact O-N 3.19Å; A231-K235 VanDerWaalsContact O-CB 3.28Å; A231-K235 WeakPolarHBondContact O-CB 3.16Å; A231-K235 PolarHBondContact O-N 2.94Å
232	L	90.5	Very high	92.7	Very high	104 Å²	104	82.5 Å²	82.5	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-66	-50	174.9	-72.1	171.3	0	0	0	111.8	V228 Y230 K235 V236	V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 VanDerWaalsContact O-CG 3.3Å; V228-L232 WeakPolarHBondContact O-CG 3.38Å; V228-L232 PolarHBondContact O-N 3.17Å; Y230-L232 VanDerWaalsContact C-N 3.33Å; Y230-L232 PolarHBondContact O-N 3.12Å; L232-K235 PolarHBondContact O-N 2.77Å; L232-V236 PolarHBondContact O-N 2.74Å; L232-V236 VanDerWaalsContact O-N 3.17Å
233	K	90.8	Very high	92.9	Very high	36 Å²	36	83 Å²	83	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-60.3	-45.7	176.4	-76.6	174.5	166.7	-69.1	0	111.9	N229 Y230 K235 V236 L237 E295 N296 L299	N229-K233 PolarHBondContact O-N 3.09Å; N229-K233 VanDerWaalsContact O-N 3.14Å; Y230-K233 PolarHBondContact O-N 3.4Å; K233-K235 VanDerWaalsContact C-N 3.32Å; K233-K235 PolarHBondContact O-N 3.39Å; K233-V236 PolarHBondContact O-N 3.13Å; K233-L237 WeakPolarHBondContact O-CG 3.47Å; K233-L237 PolarHBondContact O-N 3.4Å; K233-L237 VanDerWaalsContact O-N 3.09Å; K233-E295 HydrophobicContact CG-CG 4.32Å; K233-E295 IonicContact NZ-OE2 3.79Å; K233-E295 PolarHBondContact NZ-OE2 2.93Å; K233-N296 PolarHBondContact NZ-O 3.22Å; K233-N296 PolarHBondContact NZ-OD1 3.26Å; K233-L299 HydrophobicContact CD-CD2 4.18Å
234	Q	93.9	Very high	92.9	Very high	94 Å²	94	81.1 Å²	81.1	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-58.2	-43.9	176.3	-172.3	-175.5	9.6	0	0	111.2	Y230 V236 L237 Q238	Y230-Q234 VanDerWaalsContact O-CB 3.31Å; Y230-Q234 WeakPolarHBondContact O-CB 3.49Å; Y230-Q234 PolarHBondContact O-N 3.43Å; Y230-Q234 PolarHBondContact OH-OE1 3.44Å; Q234-V236 PolarHBondContact O-N 2.86Å; Q234-L237 PolarHBondContact O-N 3.04Å; Q234-Q238 VanDerWaalsContact O-CB 3.28Å; Q234-Q238 WeakPolarHBondContact O-CB 3.33Å; Q234-Q238 PolarHBondContact O-N 3.42Å
235	K	94.4	Very high	92.9	Very high	158 Å²	158	79.4 Å²	79.4	69%	0.687	41%	0.414	S	S	*	.	H	α-helix	trans	-63.4	-40	-179.9	-176.7	177.3	178.4	-179.3	0	113	A231 L232 K233 A239	A231-K235 VanDerWaalsContact O-CB 3.28Å; A231-K235 WeakPolarHBondContact O-CB 3.16Å; A231-K235 PolarHBondContact O-N 2.94Å; L232-K235 PolarHBondContact O-N 2.77Å; K233-K235 VanDerWaalsContact C-N 3.32Å; K233-K235 PolarHBondContact O-N 3.39Å; K235-A239 WeakPolarHBondContact O-CB 3.45Å; K235-A239 PolarHBondContact O-N 3.47Å; K235-A239 VanDerWaalsContact O-N 3.11Å
236	V	93.4	Very high	93.1	Very high	66 Å²	66	83.5 Å²	83.5	40%	0.4	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-49.6	176.3	175.2	0	0	0	0	110.5	L232 K233 Q234 Q238 A239 Q240 E295	L232-V236 PolarHBondContact O-N 2.74Å; L232-V236 VanDerWaalsContact O-N 3.17Å; K233-V236 PolarHBondContact O-N 3.13Å; Q234-V236 PolarHBondContact O-N 2.86Å; V236-Q238 PolarHBondContact O-N 2.83Å; V236-A239 PolarHBondContact O-N 3.46Å; V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 PolarHBondContact O-N 3.09Å; V236-E295 HydrophobicContact CB-CB 4.4Å; V236-E295 HydrophobicContact CB-CG 3.99Å; V236-E295 HydrophobicContact CG1-CB 4.17Å; V236-E295 HydrophobicContact CG1-CG 3.92Å; V236-E295 HydrophobicContact CG2-CG 4.31Å
237	L	92.2	Very high	93	Very high	67 Å²	67	79.7 Å²	79.7	35%	0.351	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-37	-178.7	-66.9	173.6	0	0	0	112.6	K233 Q234 Q240 L241 E295	K233-L237 WeakPolarHBondContact O-CG 3.47Å; K233-L237 PolarHBondContact O-N 3.4Å; K233-L237 VanDerWaalsContact O-N 3.09Å; Q234-L237 PolarHBondContact O-N 3.04Å; L237-Q240 PolarHBondContact O-N 3.07Å; L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 PolarHBondContact O-N 3.5Å; L237-E295 HydrophobicContact CD1-CB 4.49Å; L237-E295 HydrophobicContact CD2-CB 4.01Å; L237-E295 HydrophobicContact CG-CB 4.02Å
238	Q	94.4	Very high	93	Very high	87 Å²	87	78.8 Å²	78.8	41%	0.407	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-49.7	175.5	-171.6	65.1	56.5	0	0	111.4	Q234 V236 Q240 L241 D242	Q234-Q238 VanDerWaalsContact O-CB 3.28Å; Q234-Q238 WeakPolarHBondContact O-CB 3.33Å; Q234-Q238 PolarHBondContact O-N 3.42Å; V236-Q238 PolarHBondContact O-N 2.83Å; Q238-Q240 PolarHBondContact O-N 2.93Å; Q238-L241 WeakPolarHBondContact O-CB 3.31Å; Q238-L241 PolarHBondContact O-N 2.7Å; Q238-L241 VanDerWaalsContact O-N 3.07Å; Q238-D242 PolarHBondContact NE2-OD1 3.32Å; Q238-D242 PolarHBondContact O-N 3.46Å
239	A	93.6	Very high	93.1	Very high	52 Å²	52	82 Å²	82	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-34.5	178.8	0	0	0	0	0	112.2	K235 V236 T243	K235-A239 WeakPolarHBondContact O-CB 3.45Å; K235-A239 PolarHBondContact O-N 3.47Å; K235-A239 VanDerWaalsContact O-N 3.11Å; V236-A239 PolarHBondContact O-N 3.46Å; A239-T243 WeakPolarHBondContact O-CB 3.43Å; A239-T243 PolarHBondContact O-N 3.17Å; A239-T243 VanDerWaalsContact O-N 3.13Å; A239-T243 PolarHBondContact O-OG1 3.41Å
240	Q	92.9	Very high	93.3	Very high	24 Å²	24	79.3 Å²	79.3	11%	0.112	41%	0.411	C	S	.	.	H	α-helix	trans	-67.9	-44.6	172.7	-178.2	174.2	9.9	0	0	112.2	V236 L237 Q238 T243 L244 P290 Q292	V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 PolarHBondContact O-N 3.09Å; L237-Q240 PolarHBondContact O-N 3.07Å; Q238-Q240 PolarHBondContact O-N 2.93Å; Q240-T243 PolarHBondContact O-N 3.26Å; Q240-L244 HydrophobicContact CG-CD1 4.1Å; Q240-L244 WeakPolarHBondContact O-CG 3.36Å; Q240-L244 PolarHBondContact O-N 2.87Å; Q240-P290 HydrophobicContact CG-CB 4.4Å; Q240-P290 HydrophobicContact CG-CG 4.15Å; Q240-P290 PolarHBondContact NE2-O 2.95Å; Q240-Q292 PolarHBondContact NE2-O 3.24Å
241	L	94.6	Very high	93.2	Very high	85 Å²	85	76.2 Å²	76.2	45%	0.445	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-47.9	176.6	177.3	61	0	0	0	111.4	L237 Q238 T243 L244 L245	L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 PolarHBondContact O-N 3.5Å; Q238-L241 WeakPolarHBondContact O-CB 3.31Å; Q238-L241 PolarHBondContact O-N 2.7Å; Q238-L241 VanDerWaalsContact O-N 3.07Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 3.13Å; L241-L244 PolarHBondContact O-N 2.86Å; L241-L245 HydrophobicContact CD1-CD1 4.04Å; L241-L245 HydrophobicContact CD1-CG 4.17Å; L241-L245 HydrophobicContact CG-CD1 3.97Å; L241-L245 WeakPolarHBondContact O-CB 3.45Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 2.82Å
242	D	95.6	Very high	93.3	Very high	82 Å²	82	77.8 Å²	77.8	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-58.9	-43.2	177.8	-58.4	-21.6	0	0	0	110.9	Q238 L245 Q246	Q238-D242 PolarHBondContact NE2-OD1 3.32Å; Q238-D242 PolarHBondContact O-N 3.46Å; D242-L245 PolarHBondContact O-N 3.37Å; D242-Q246 WeakPolarHBondContact O-CB 3.48Å; D242-Q246 PolarHBondContact O-N 3.43Å
243	T	93.8	Very high	93.5	Very high	68 Å²	68	75.9 Å²	75.9	42%	0.417	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-43	176.8	-57.4	0	0	0	0	112.2	A239 Q240 L241 G247 P290	A239-T243 WeakPolarHBondContact O-CB 3.43Å; A239-T243 PolarHBondContact O-N 3.17Å; A239-T243 VanDerWaalsContact O-N 3.13Å; A239-T243 PolarHBondContact O-OG1 3.41Å; Q240-T243 PolarHBondContact O-N 3.26Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 3.13Å; T243-G247 PolarHBondContact O-N 3.11Å; T243-P290 HydrophobicContact CG2-CG 4.36Å
244	L	93.7	Very high	93.5	Very high	50 Å²	50	75.3 Å²	75.3	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-69.5	-39.2	179.5	-73.3	173.4	0	0	0	112.2	Q240 L241 G247 Q248 L289 P290 L291	Q240-L244 HydrophobicContact CG-CD1 4.1Å; Q240-L244 WeakPolarHBondContact O-CG 3.36Å; Q240-L244 PolarHBondContact O-N 2.87Å; L241-L244 PolarHBondContact O-N 2.86Å; L244-G247 PolarHBondContact O-N 3.39Å; L244-Q248 WeakPolarHBondContact O-CB 3.4Å; L244-Q248 PolarHBondContact O-N 3.24Å; L244-L289 HydrophobicContact CD2-CB 4.13Å; L244-P290 HydrophobicContact CD2-CG 4.25Å; L244-P290 HydrophobicContact CG-CG 4.42Å; L244-L291 HydrophobicContact CD2-CD2 4.11Å
245	L	95	Very high	93.5	Very high	89 Å²	89	72.9 Å²	72.9	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-46.9	174.8	-71.7	169.7	0	0	0	111.2	L241 D242 G247 Q248 E249	L241-L245 HydrophobicContact CD1-CD1 4.04Å; L241-L245 HydrophobicContact CD1-CG 4.17Å; L241-L245 HydrophobicContact CG-CD1 3.97Å; L241-L245 WeakPolarHBondContact O-CB 3.45Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 2.82Å; D242-L245 PolarHBondContact O-N 3.37Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 2.77Å; L245-Q248 PolarHBondContact O-N 2.89Å; L245-E249 PolarHBondContact O-N 3.07Å
246	Q	93.4	Very high	93.4	Very high	146 Å²	146	69.5 Å²	69.5	68%	0.682	38%	0.382	S	S	*	.	H	α-helix	trans	-62.5	-39.8	176.8	-169.5	179.2	26.9	0	0	112.1	D242 G250	D242-Q246 WeakPolarHBondContact O-CB 3.48Å; D242-Q246 PolarHBondContact O-N 3.43Å; Q246-G250 PolarHBondContact O-N 3.45Å
247	G	92.1	Very high	93.3	Very high	7 Å²	7	71.9 Å²	71.9	7%	0.072	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-45.5	173.5	0	0	0	0	0	112.6	T243 L244 L245 G250 I251	T243-G247 PolarHBondContact O-N 3.11Å; L244-G247 PolarHBondContact O-N 3.39Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 2.77Å; G247-G250 PolarHBondContact O-N 3.46Å; G247-I251 WeakPolarHBondContact O-CG1 3.37Å; G247-I251 PolarHBondContact O-N 3.15Å
248	Q	94.1	Very high	93.2	Very high	113 Å²	113	69.6 Å²	69.6	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-44.1	178.3	-173.3	-179.8	26.6	0	0	112.2	L244 L245 I251 N252	L244-Q248 WeakPolarHBondContact O-CB 3.4Å; L244-Q248 PolarHBondContact O-N 3.24Å; L245-Q248 PolarHBondContact O-N 2.89Å; Q248-I251 PolarHBondContact O-N 2.93Å; Q248-N252 WeakPolarHBondContact O-CB 3.48Å; Q248-N252 PolarHBondContact O-N 3.43Å
249	E	93.2	Very high	93	Very high	143 Å²	143	71.4 Å²	71.4	67%	0.668	38%	0.384	S	S	*	.	H	α-helix	trans	-65.8	-41.3	177.6	-172.7	172.7	-152.7	0	0	111.8	L245 I251 N252 S253	L245-E249 PolarHBondContact O-N 3.07Å; E249-I251 PolarHBondContact O-N 2.83Å; E249-N252 PolarHBondContact O-N 2.95Å; E249-S253 WeakPolarHBondContact O-CB 3.46Å; E249-S253 PolarHBondContact O-N 3.31Å; E249-S253 PolarHBondContact O-OG 3.22Å
250	G	90.3	Very high	92.9	Very high	22 Å²	22	74.9 Å²	74.9	23%	0.227	39%	0.392	C	S	.	.	H	α-helix	trans	-64.4	-35.2	175.9	0	0	0	0	0	113.9	Q246 G247 S253 S254	Q246-G250 PolarHBondContact O-N 3.45Å; G247-G250 PolarHBondContact O-N 3.46Å; G250-S253 PolarHBondContact O-OG 2.98Å; G250-S254 WeakPolarHBondContact O-CB 3.3Å; G250-S254 PolarHBondContact O-N 3.45Å; G250-S254 PolarHBondContact O-OG 2.76Å
251	I	92.9	Very high	92.7	Very high	56 Å²	56	74.7 Å²	74.7	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-54.9	173.4	-68.6	167.2	0	0	0	110.2	G247 Q248 E249 S253 S254 C255 L284 L289	G247-I251 WeakPolarHBondContact O-CG1 3.37Å; G247-I251 PolarHBondContact O-N 3.15Å; Q248-I251 PolarHBondContact O-N 2.93Å; E249-I251 PolarHBondContact O-N 2.83Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.41Å; I251-S254 PolarHBondContact O-N 2.87Å; I251-S254 VanDerWaalsContact O-N 3.13Å; I251-C255 PolarHBondContact O-N 2.84Å; I251-C255 PolarHBondContact O-SG 3.28Å; I251-C255 VanDerWaalsContact O-SG 3.41Å; I251-L284 HydrophobicContact CG1-CD2 4Å; I251-L289 HydrophobicContact CD1-CD1 4.17Å
252	N	94.3	Very high	92.3	Very high	84 Å²	84	76.4 Å²	76.4	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-56.6	-44	-177.2	-80.4	-11.7	0	0	0	112.6	Q248 E249 N256	Q248-N252 WeakPolarHBondContact O-CB 3.48Å; Q248-N252 PolarHBondContact O-N 3.43Å; E249-N252 PolarHBondContact O-N 2.95Å; N252-N256 VanDerWaalsContact O-CB 3.28Å; N252-N256 WeakPolarHBondContact O-CB 3.23Å; N252-N256 PolarHBondContact O-N 3.29Å; N252-N256 PolarHBondContact O-ND2 3.42Å
253	S	94	Very high	92.1	Very high	64 Å²	64	75.8 Å²	75.8	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-42.2	177.9	52.2	0	0	0	0	112.6	E249 G250 I251 F257	E249-S253 WeakPolarHBondContact O-CB 3.46Å; E249-S253 PolarHBondContact O-N 3.31Å; E249-S253 PolarHBondContact O-OG 3.22Å; G250-S253 PolarHBondContact O-OG 2.98Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.41Å; S253-F257 WeakPolarHBondContact O-CB 3.07Å; S253-F257 PolarHBondContact O-N 2.83Å
254	S	92.1	Very high	91.8	Very high	24 Å²	24	80 Å²	80	17%	0.168	42%	0.42	C	S	.	.	H	α-helix	trans	-70.2	-38.5	178.9	-56.1	0	0	0	0	112.6	G250 I251 T258 L284	G250-S254 WeakPolarHBondContact O-CB 3.3Å; G250-S254 PolarHBondContact O-N 3.45Å; G250-S254 PolarHBondContact O-OG 2.76Å; I251-S254 PolarHBondContact O-N 2.87Å; I251-S254 VanDerWaalsContact O-N 3.13Å; S254-T258 WeakPolarHBondContact O-CB 3.42Å; S254-T258 PolarHBondContact O-N 2.74Å; S254-T258 VanDerWaalsContact O-N 3.11Å; S254-T258 PolarHBondContact O-OG1 3.46Å; S254-L284 VanDerWaalsContact CB-CD1 3.44Å; S254-L284 WeakPolarHBondContact OG-CD1 3.32Å
255	C	92.7	Very high	91.4	Very high	44 Å²	44	79.2 Å²	79.2	30%	0.297	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-53.1	173	-70.2	0	0	0	0	111.1	I251 F257 T258 E259	I251-C255 PolarHBondContact O-N 2.84Å; I251-C255 PolarHBondContact O-SG 3.28Å; I251-C255 VanDerWaalsContact O-SG 3.41Å; C255-F257 VanDerWaalsContact C-N 3.3Å; C255-F257 PolarHBondContact O-N 3.03Å; C255-T258 PolarHBondContact O-N 2.8Å; C255-E259 WeakPolarHBondContact O-CG 3.38Å; C255-E259 PolarHBondContact O-N 3.01Å
256	N	93.6	Very high	91.1	Very high	87 Å²	87	78.8 Å²	78.8	47%	0.465	43%	0.425	S	S	.	.	H	α-helix	trans	-55.8	-42.4	179.1	-72.9	-16.7	0	0	0	112.4	N252 Q260	N252-N256 VanDerWaalsContact O-CB 3.28Å; N252-N256 WeakPolarHBondContact O-CB 3.23Å; N252-N256 PolarHBondContact O-N 3.29Å; N252-N256 PolarHBondContact O-ND2 3.42Å; N256-Q260 WeakPolarHBondContact O-CB 3.3Å; N256-Q260 VanDerWaalsContact O-CG 3.3Å; N256-Q260 WeakPolarHBondContact O-CG 3.39Å; N256-Q260 PolarHBondContact O-N 3.45Å
257	F	90.5	Very high	90.8	Very high	115 Å²	115	80.1 Å²	80.1	50%	0.504	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-44.2	176.1	178.1	-94.5	0	0	0	112	S253 C255 Q260 A261 V273 M277	S253-F257 WeakPolarHBondContact O-CB 3.07Å; S253-F257 PolarHBondContact O-N 2.83Å; C255-F257 VanDerWaalsContact C-N 3.3Å; C255-F257 PolarHBondContact O-N 3.03Å; F257-Q260 PolarHBondContact O-N 2.94Å; F257-A261 WeakPolarHBondContact O-CB 3.46Å; F257-A261 PolarHBondContact O-N 2.83Å; F257-V273 HydrophobicContact CE1-CG1 4.44Å; F257-M277 HydrophobicContact CD1-SD 4.36Å; F257-M277 HydrophobicContact CE1-CG 4.24Å; F257-M277 HydrophobicContact CE1-SD 4.02Å
258	T	90.1	Very high	90.6	Very high	19 Å²	19	82.8 Å²	82.8	12%	0.117	45%	0.452	C	S	.	.	H	α-helix	trans	-64.6	-43.1	178.4	-53.4	0	0	0	0	111.2	S254 C255 A261 L262 M277 L281	S254-T258 WeakPolarHBondContact O-CB 3.42Å; S254-T258 PolarHBondContact O-N 2.74Å; S254-T258 VanDerWaalsContact O-N 3.11Å; S254-T258 PolarHBondContact O-OG1 3.46Å; C255-T258 PolarHBondContact O-N 2.8Å; T258-A261 PolarHBondContact O-N 3.32Å; T258-L262 HydrophobicContact CG2-CD1 3.92Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CB 3.3Å; T258-L262 VanDerWaalsContact O-CG 3.27Å; T258-L262 WeakPolarHBondContact O-CG 3.32Å; T258-L262 PolarHBondContact O-N 2.72Å; T258-M277 HydrophobicContact CG2-SD 4.31Å; T258-L281 HydrophobicContact CG2-CD1 3.84Å
259	E	91	Very high	90.2	Very high	126 Å²	126	82.4 Å²	82.4	59%	0.589	45%	0.451	S	S	*	.	H	α-helix	trans	-61.6	-46	177.6	-73.3	179.7	-172.4	0	0	111.6	C255 A261 L262 S263	C255-E259 WeakPolarHBondContact O-CG 3.38Å; C255-E259 PolarHBondContact O-N 3.01Å; E259-A261 PolarHBondContact O-N 3.19Å; E259-L262 PolarHBondContact O-N 2.84Å; E259-S263 WeakPolarHBondContact O-CB 3.47Å; E259-S263 PolarHBondContact O-N 3.31Å; E259-S263 PolarHBondContact O-OG 3.27Å
260	Q	90.1	Very high	90	Very high	124 Å²	124	77.4 Å²	77.4	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-40.2	175.9	-72.3	176.1	7	0	0	112.6	N256 F257 L262 S263 H264	N256-Q260 WeakPolarHBondContact O-CB 3.3Å; N256-Q260 VanDerWaalsContact O-CG 3.3Å; N256-Q260 WeakPolarHBondContact O-CG 3.39Å; N256-Q260 PolarHBondContact O-N 3.45Å; F257-Q260 PolarHBondContact O-N 2.94Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.45Å; Q260-S263 PolarHBondContact O-N 3.26Å; Q260-S263 PolarHBondContact O-OG 2.92Å; Q260-H264 PolarHBondContact O-N 2.77Å
261	A	89.1	Confident	89.8	Confident	20 Å²	20	82.1 Å²	82.1	17%	0.165	45%	0.449	C	S	.	.	H	α-helix	trans	-63.6	-38.9	175.2	0	0	0	0	0	111.8	F257 T258 E259 G265 V270 M277	F257-A261 WeakPolarHBondContact O-CB 3.46Å; F257-A261 PolarHBondContact O-N 2.83Å; T258-A261 PolarHBondContact O-N 3.32Å; E259-A261 PolarHBondContact O-N 3.19Å; A261-G265 WeakPolarHBondContact O-CA 3.27Å; A261-G265 PolarHBondContact O-N 3.16Å; A261-V270 VanDerWaalsContact O-CG2 3.3Å; A261-V270 WeakPolarHBondContact O-CG2 3.23Å; A261-M277 HydrophobicContact CB-CE 4.35Å; A261-M277 HydrophobicContact CB-SD 3.86Å
262	L	87.5	Confident	89.5	Confident	121 Å²	121	86.1 Å²	86.1	63%	0.634	47%	0.47	S	S	*	.	H	α-helix	trans	-75.8	-29.4	177.7	-70.4	172.2	0	0	0	113.8	T258 E259 Q260 V270	T258-L262 HydrophobicContact CG2-CD1 3.92Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CB 3.3Å; T258-L262 VanDerWaalsContact O-CG 3.27Å; T258-L262 WeakPolarHBondContact O-CG 3.32Å; T258-L262 PolarHBondContact O-N 2.72Å; E259-L262 PolarHBondContact O-N 2.84Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.45Å; L262-V270 HydrophobicContact CD2-CG1 4.45Å
263	S	90.3	Very high	89.3	Confident	70 Å²	70	84.3 Å²	84.3	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-88.6	-26.6	-178.5	69.1	0	0	0	0	114.2	E259 Q260	E259-S263 WeakPolarHBondContact O-CB 3.47Å; E259-S263 PolarHBondContact O-N 3.31Å; E259-S263 PolarHBondContact O-OG 3.27Å; Q260-S263 PolarHBondContact O-N 3.26Å; Q260-S263 PolarHBondContact O-OG 2.92Å
264	H	87.2	Confident	89.1	Confident	157 Å²	157	87.8 Å²	87.8	73%	0.727	47%	0.469	S	S	*	.	H	α-helix	trans	-134.5	-10.5	-170.2	-57.1	-39.1	0	0	0	115.5	Q260	Q260-H264 PolarHBondContact O-N 2.77Å
265	G	85.6	Confident	89	Confident	33 Å²	33	93.4 Å²	93.4	34%	0.34	49%	0.491	S	S	.	.			trans	-73	146.6	177.9	0	0	0	0	0	113	A261	A261-G265 WeakPolarHBondContact O-CA 3.27Å; A261-G265 PolarHBondContact O-N 3.16Å
266	T	90.1	Very high	88.9	Confident	80 Å²	80	97.8 Å²	97.8	49%	0.491	51%	0.507	S	S	.	.			trans	-74.3	157.8	171.6	66.7	0	0	0	0	111.4	A268 E269 V270	T266-A268 PolarHBondContact O-N 3.32Å; T266-A268 VanDerWaalsContact O-N 3.1Å; T266-E269 VanDerWaalsContact CB-OE2 3.3Å; T266-E269 WeakPolarHBondContact CB-OE2 3.38Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.33Å; T266-E269 PolarHBondContact N-OE2 3Å; T266-E269 PolarHBondContact O-N 3.15Å; T266-E269 WeakPolarHBondContact OG1-CG 3.43Å; T266-E269 PolarHBondContact OG1-OE2 2.93Å; T266-V270 WeakPolarHBondContact O-CG2 3.46Å; T266-V270 PolarHBondContact O-N 3.37Å
267	E	87.1	Confident	88.8	Confident	173 Å²	173	94.4 Å²	94.4	81%	0.808	49%	0.489	S	S	*	.	H	α-helix	trans	-52.6	-37.9	-176.1	-59.9	-175.8	149.4	0	0	113.3	L271	E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 WeakPolarHBondContact O-CD1 3.39Å; E267-L271 VanDerWaalsContact O-CG 3.3Å; E267-L271 WeakPolarHBondContact O-CG 3.38Å; E267-L271 PolarHBondContact O-N 2.99Å; E267-L271 VanDerWaalsContact O-N 3.15Å
268	A	86.8	Confident	88.8	Confident	63 Å²	63	90.6 Å²	90.6	52%	0.521	48%	0.482	S	S	.	.	H	α-helix	trans	-71.8	-40.8	178.6	0	0	0	0	0	112.8	T266 L271 L272	T266-A268 PolarHBondContact O-N 3.32Å; T266-A268 VanDerWaalsContact O-N 3.1Å; A268-L271 PolarHBondContact O-N 3.25Å; A268-L272 WeakPolarHBondContact O-CG 3.44Å; A268-L272 PolarHBondContact O-N 3.31Å
269	E	86.1	Confident	88.9	Confident	105 Å²	105	94.3 Å²	94.3	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-67.3	-45.8	177.9	-67.9	164.5	137.7	0	0	111	T266 L271 L272 V273	T266-E269 VanDerWaalsContact CB-OE2 3.3Å; T266-E269 WeakPolarHBondContact CB-OE2 3.38Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.33Å; T266-E269 PolarHBondContact N-OE2 3Å; T266-E269 PolarHBondContact O-N 3.15Å; T266-E269 WeakPolarHBondContact OG1-CG 3.43Å; T266-E269 PolarHBondContact OG1-OE2 2.93Å; E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 2.77Å; E269-L272 PolarHBondContact O-N 3.14Å; E269-L272 VanDerWaalsContact O-N 3.14Å; E269-V273 PolarHBondContact O-N 3.36Å; E269-V273 VanDerWaalsContact O-N 3.14Å
270	V	87.9	Confident	88.9	Confident	38 Å²	38	93.2 Å²	93.2	23%	0.23	49%	0.488	C	S	.	.	H	α-helix	trans	-58.9	-42.9	176.4	177	0	0	0	0	110.5	A261 L262 T266 K274	A261-V270 VanDerWaalsContact O-CG2 3.3Å; A261-V270 WeakPolarHBondContact O-CG2 3.23Å; L262-V270 HydrophobicContact CD2-CG1 4.45Å; T266-V270 WeakPolarHBondContact O-CG2 3.46Å; T266-V270 PolarHBondContact O-N 3.37Å; V270-K274 WeakPolarHBondContact O-CA 3.44Å; V270-K274 WeakPolarHBondContact O-CB 3.49Å; V270-K274 PolarHBondContact O-N 2.85Å
271	L	86.6	Confident	89	Confident	122 Å²	122	90.2 Å²	90.2	64%	0.639	48%	0.476	S	S	*	.	H	α-helix	trans	-64.8	-36.7	176.2	-79.5	169.3	0	0	0	113.6	E267 A268 E269 K274	E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 WeakPolarHBondContact O-CD1 3.39Å; E267-L271 VanDerWaalsContact O-CG 3.3Å; E267-L271 WeakPolarHBondContact O-CG 3.38Å; E267-L271 PolarHBondContact O-N 2.99Å; E267-L271 VanDerWaalsContact O-N 3.15Å; A268-L271 PolarHBondContact O-N 3.25Å; E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 2.77Å; L271-K274 HydrophobicContact CD2-CD 4.49Å
272	L	88	Confident	89.1	Confident	139 Å²	139	93.5 Å²	93.5	73%	0.728	49%	0.494	S	S	*	.	H	α-helix	trans	-64.5	-46.7	177.7	-79.8	163.2	0	0	0	112.2	A268 E269	A268-L272 WeakPolarHBondContact O-CG 3.44Å; A268-L272 PolarHBondContact O-N 3.31Å; E269-L272 PolarHBondContact O-N 3.14Å; E269-L272 VanDerWaalsContact O-N 3.14Å
273	V	89.4	Confident	89.3	Confident	47 Å²	47	93 Å²	93	29%	0.285	49%	0.488	S	S	.	.	H	α-helix	trans	-89.1	-14.5	-176.3	-153.5	0	0	0	0	112.7	F257 E269 K275 Q276 M277	F257-V273 HydrophobicContact CE1-CG1 4.44Å; E269-V273 PolarHBondContact O-N 3.36Å; E269-V273 VanDerWaalsContact O-N 3.14Å; V273-K275 PolarHBondContact O-N 3.11Å; V273-Q276 HydrophobicContact CG1-CB 4.38Å; V273-Q276 PolarHBondContact O-N 2.93Å; V273-M277 HydrophobicContact CB-CE 4.17Å; V273-M277 HydrophobicContact CB-CG 4.36Å; V273-M277 HydrophobicContact CB-SD 4.46Å; V273-M277 HydrophobicContact CG1-CG 3.92Å; V273-M277 HydrophobicContact CG1-SD 4.45Å; V273-M277 PolarHBondContact O-N 2.94Å
274	K	89.4	Confident	89.3	Confident	136 Å²	136	90.4 Å²	90.4	59%	0.591	47%	0.469	S	S	*	.	H	α-helix	trans	-43.2	-45.3	-177.7	175.6	174.1	179.4	176.7	0	114.2	V270 L271 G278	V270-K274 WeakPolarHBondContact O-CA 3.44Å; V270-K274 WeakPolarHBondContact O-CB 3.49Å; V270-K274 PolarHBondContact O-N 2.85Å; L271-K274 HydrophobicContact CD2-CD 4.49Å; K274-G278 PolarHBondContact O-N 3.35Å
275	K	90.8	Very high	89.3	Confident	143 Å²	143	87.1 Å²	87.1	62%	0.622	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-50.5	-178.6	-176.2	-177.4	167.8	-175	0	111.1	V273 G278 E279	V273-K275 PolarHBondContact O-N 3.11Å; K275-G278 PolarHBondContact O-N 2.91Å; K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 WeakPolarHBondContact CE-OE2 3.36Å; K275-E279 HydrophobicContact CG-CG 4.48Å; K275-E279 IonicContact NZ-OE1 3.38Å; K275-E279 PolarHBondContact NZ-OE1 3.01Å; K275-E279 WeakPolarHBondContact O-CB 3.27Å; K275-E279 WeakPolarHBondContact O-CG 3.43Å; K275-E279 PolarHBondContact O-N 3.44Å
276	Q	90.1	Very high	89.5	Confident	135 Å²	135	91.5 Å²	91.5	63%	0.631	48%	0.484	S	S	*	.	H	α-helix	trans	-66.3	-40.3	-178.1	-67.4	176.8	-19.3	0	0	111.9	V273 R280	V273-Q276 HydrophobicContact CG1-CB 4.38Å; V273-Q276 PolarHBondContact O-N 2.93Å; Q276-R280 VanDerWaalsContact O-CB 3.3Å; Q276-R280 WeakPolarHBondContact O-CB 3.32Å; Q276-R280 PolarHBondContact O-N 2.74Å
277	M	92.1	Very high	89.4	Confident	17 Å²	17	92 Å²	92	8%	0.084	48%	0.481	C	S	.	.	H	α-helix	trans	-62.3	-45.7	173.4	-64.5	-172.3	-64.8	0	0	111.2	F257 T258 A261 V273 R280 L281	F257-M277 HydrophobicContact CD1-SD 4.36Å; F257-M277 HydrophobicContact CE1-CG 4.24Å; F257-M277 HydrophobicContact CE1-SD 4.02Å; T258-M277 HydrophobicContact CG2-SD 4.31Å; A261-M277 HydrophobicContact CB-CE 4.35Å; A261-M277 HydrophobicContact CB-SD 3.86Å; V273-M277 HydrophobicContact CB-CE 4.17Å; V273-M277 HydrophobicContact CB-CG 4.36Å; V273-M277 HydrophobicContact CB-SD 4.46Å; V273-M277 HydrophobicContact CG1-CG 3.92Å; V273-M277 HydrophobicContact CG1-SD 4.45Å; V273-M277 PolarHBondContact O-N 2.94Å; M277-R280 PolarHBondContact O-N 2.85Å; M277-L281 WeakPolarHBondContact O-CB 3.5Å; M277-L281 WeakPolarHBondContact O-CD1 3.47Å; M277-L281 WeakPolarHBondContact O-CG 3.48Å; M277-L281 PolarHBondContact O-N 3.46Å
278	G	89.1	Confident	89.3	Confident	35 Å²	35	92.9 Å²	92.9	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-46.7	177.9	0	0	0	0	0	113.1	K274 K275 V282	K274-G278 PolarHBondContact O-N 3.35Å; K275-G278 PolarHBondContact O-N 2.91Å; G278-V282 WeakPolarHBondContact O-CB 3.33Å; G278-V282 VanDerWaalsContact O-CG2 3.27Å; G278-V282 WeakPolarHBondContact O-CG2 3.35Å; G278-V282 PolarHBondContact O-N 3.35Å
279	E	92.1	Very high	89.5	Confident	97 Å²	97	92 Å²	92	45%	0.453	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-46.9	176	-73.2	172.2	151.3	0	0	110.9	K275 L281 V282 E283	K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 WeakPolarHBondContact CE-OE2 3.36Å; K275-E279 HydrophobicContact CG-CG 4.48Å; K275-E279 IonicContact NZ-OE1 3.38Å; K275-E279 PolarHBondContact NZ-OE1 3.01Å; K275-E279 WeakPolarHBondContact O-CB 3.27Å; K275-E279 WeakPolarHBondContact O-CG 3.43Å; K275-E279 PolarHBondContact O-N 3.44Å; E279-L281 PolarHBondContact O-N 3Å; E279-V282 PolarHBondContact O-N 2.74Å; E279-E283 WeakPolarHBondContact O-CG 3.25Å; E279-E283 PolarHBondContact O-N 3.18Å
280	R	91.4	Very high	89.5	Confident	103 Å²	103	89.7 Å²	89.7	39%	0.389	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-36.7	-178.9	-175	56.4	-175.9	158.8	6.3	113.9	Q276 M277 V282 E283 L284	Q276-R280 VanDerWaalsContact O-CB 3.3Å; Q276-R280 WeakPolarHBondContact O-CB 3.32Å; Q276-R280 PolarHBondContact O-N 2.74Å; M277-R280 PolarHBondContact O-N 2.85Å; R280-V282 VanDerWaalsContact C-N 3.35Å; R280-E283 WeakPolarHBondContact CD-OE2 3.24Å; R280-E283 IonicContact CZ-OE2 3.53Å; R280-E283 IonicContact NE-OE2 2.87Å; R280-E283 IonicContact NH1-OE2 2.7Å; R280-E283 PolarHBondContact NH1-OE2 2.75Å; R280-E283 PolarHBondContact O-N 3.22Å; R280-L284 HydrophobicContact CG-CD1 4.3Å; R280-L284 WeakPolarHBondContact O-CG 3.43Å; R280-L284 PolarHBondContact O-N 2.71Å
281	L	91.4	Very high	89.5	Confident	60 Å²	60	94.4 Å²	94.4	31%	0.314	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-35.9	174.6	-71.4	166.7	0	0	0	111.6	T258 M277 E279 L284 A285	T258-L281 HydrophobicContact CG2-CD1 3.84Å; M277-L281 WeakPolarHBondContact O-CB 3.5Å; M277-L281 WeakPolarHBondContact O-CD1 3.47Å; M277-L281 WeakPolarHBondContact O-CG 3.48Å; M277-L281 PolarHBondContact O-N 3.46Å; E279-L281 PolarHBondContact O-N 3Å; L281-L284 PolarHBondContact O-N 3.43Å; L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 3.3Å
282	V	92.4	Very high	89.5	Confident	90 Å²	90	96.1 Å²	96.1	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-38.1	174.1	170.2	0	0	0	0	111.3	G278 E279 R280 N286	G278-V282 WeakPolarHBondContact O-CB 3.33Å; G278-V282 VanDerWaalsContact O-CG2 3.27Å; G278-V282 WeakPolarHBondContact O-CG2 3.35Å; G278-V282 PolarHBondContact O-N 3.35Å; E279-V282 PolarHBondContact O-N 2.74Å; R280-V282 VanDerWaalsContact C-N 3.35Å; V282-N286 PolarHBondContact O-N 3.39Å; V282-N286 PolarHBondContact O-ND2 3.49Å
283	E	90.9	Very high	89.3	Confident	111 Å²	111	94.1 Å²	94.1	52%	0.519	49%	0.489	S	S	.	.	H	α-helix	trans	-57.9	-52.8	170.7	-73	178.3	165.8	0	0	111.5	E279 R280 A285 N286 Q287	E279-E283 WeakPolarHBondContact O-CG 3.25Å; E279-E283 PolarHBondContact O-N 3.18Å; R280-E283 WeakPolarHBondContact CD-OE2 3.24Å; R280-E283 IonicContact CZ-OE2 3.53Å; R280-E283 IonicContact NE-OE2 2.87Å; R280-E283 IonicContact NH1-OE2 2.7Å; R280-E283 PolarHBondContact NH1-OE2 2.75Å; R280-E283 PolarHBondContact O-N 3.22Å; E283-A285 PolarHBondContact O-N 3.34Å; E283-N286 CarbonylContact O-C 3.38Å; E283-N286 PolarHBondContact O-N 3Å; E283-Q287 PolarHBondContact O-N 3.17Å; E283-Q287 VanDerWaalsContact O-N 3.11Å
284	L	90.9	Very high	88.9	Confident	15 Å²	15	94.4 Å²	94.4	8%	0.079	50%	0.501	C	S	.	.	H	α-helix	trans	-65.1	-38.7	-177.2	-72.9	171.1	0	0	0	113	I251 S254 R280 L281 N286 Q287	I251-L284 HydrophobicContact CG1-CD2 4Å; S254-L284 VanDerWaalsContact CB-CD1 3.44Å; S254-L284 WeakPolarHBondContact OG-CD1 3.32Å; R280-L284 HydrophobicContact CG-CD1 4.3Å; R280-L284 WeakPolarHBondContact O-CG 3.43Å; R280-L284 PolarHBondContact O-N 2.71Å; L281-L284 PolarHBondContact O-N 3.43Å; L284-N286 PolarHBondContact O-N 3.04Å; L284-Q287 PolarHBondContact O-N 3.42Å
285	A	87.5	Confident	88.8	Confident	87 Å²	87	91.5 Å²	91.5	72%	0.719	49%	0.49	S	S	*	.	H	α-helix	trans	-68.7	-20.2	177.2	0	0	0	0	0	113.6	L281 E283	L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 3.3Å; E283-A285 PolarHBondContact O-N 3.34Å
286	N	88.8	Confident	88.6	Confident	126 Å²	126	88.6 Å²	88.6	67%	0.674	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	5.1	174.8	-68.3	-73.2	0	0	0	113	V282 E283 L284 E288	V282-N286 PolarHBondContact O-N 3.39Å; V282-N286 PolarHBondContact O-ND2 3.49Å; E283-N286 CarbonylContact O-C 3.38Å; E283-N286 PolarHBondContact O-N 3Å; L284-N286 PolarHBondContact O-N 3.04Å; N286-E288 PolarHBondContact O-N 3.09Å
287	Q	88.6	Confident	88.4	Confident	90 Å²	90	88 Å²	88	42%	0.421	49%	0.491	S	S	.	.			trans	-79.5	110.6	179.3	-176.6	176.1	-21.4	0	0	110.6	E283 L284 L289	E283-Q287 PolarHBondContact O-N 3.17Å; E283-Q287 VanDerWaalsContact O-N 3.11Å; L284-Q287 PolarHBondContact O-N 3.42Å; Q287-L289 PolarHBondContact O-N 2.94Å
288	E	85.3	Confident	87.9	Confident	191 Å²	191	92.8 Å²	92.8	89%	0.893	51%	0.514	S	S	*	.			trans	-67	126.8	172.2	-65	-171	162.9	0	0	110.9	N286	N286-E288 PolarHBondContact O-N 3.09Å
289	L	89.8	Confident	87.9	Confident	44 Å²	44	94.8 Å²	94.8	23%	0.23	52%	0.516	C	S	.	.			trans	-116.3	143.3	175	-71.1	175.1	0	0	0	110.4	L244 I251 Q287 L291	L244-L289 HydrophobicContact CD2-CB 4.13Å; I251-L289 HydrophobicContact CD1-CD1 4.17Å; Q287-L289 PolarHBondContact O-N 2.94Å; L289-L291 VanDerWaalsContact C-N 3.3Å; L289-L291 HydrophobicContact CB-CD2 4.29Å; L289-L291 HydrophobicContact CB-CG 4.47Å; L289-L291 PolarHBondContact O-N 2.68Å
290	P	86.6	Confident	87.4	Confident	57 Å²	57	95.6 Å²	95.6	37%	0.37	52%	0.523	S	S	.	.			trans	-76.8	77.5	-178.6	32.1	-35.8	0	0	0	111.1	Q240 T243 L244 Q292	Q240-P290 HydrophobicContact CG-CB 4.4Å; Q240-P290 HydrophobicContact CG-CG 4.15Å; Q240-P290 PolarHBondContact NE2-O 2.95Å; T243-P290 HydrophobicContact CG2-CG 4.36Å; L244-P290 HydrophobicContact CD2-CG 4.25Å; L244-P290 HydrophobicContact CG-CG 4.42Å; P290-Q292 VanDerWaalsContact C-N 3.31Å; P290-Q292 PolarHBondContact O-N 2.91Å
291	L	88.4	Confident	87.3	Confident	138 Å²	138	97.4 Å²	97.4	72%	0.723	53%	0.534	S	S	*	.			trans	-75.8	-11	-175.6	-62	178.3	0	0	0	114.9	L244 L289	L244-L291 HydrophobicContact CD2-CD2 4.11Å; L289-L291 VanDerWaalsContact C-N 3.3Å; L289-L291 HydrophobicContact CB-CD2 4.29Å; L289-L291 HydrophobicContact CB-CG 4.47Å; L289-L291 PolarHBondContact O-N 2.68Å
292	Q	86.1	Confident	86.8	Confident	158 Å²	158	102.1 Å²	102.1	74%	0.738	56%	0.559	S	S	*	*	S	Bend	trans	-106.2	136.3	177.6	-68	-62.9	-31.1	0	0	110.3	Q240 P290 G294	Q240-Q292 PolarHBondContact NE2-O 3.24Å; P290-Q292 VanDerWaalsContact C-N 3.31Å; P290-Q292 PolarHBondContact O-N 2.91Å; Q292-G294 PolarHBondContact O-N 3.4Å
293	P	84.9	Confident	86.2	Confident	97 Å²	97	103.8 Å²	103.8	63%	0.63	56%	0.562	S	S	*	*			trans	-55.7	124.3	-179	-25.5	34.3	0	0	0	112.5	E295	P293-E295 PolarHBondContact O-N 3.32Å
294	G	80.6	Confident	85.4	Confident	52 Å²	52	106.6 Å²	106.6	54%	0.536	58%	0.575	S	S	.	*	S	Bend	trans	-75.2	-11.6	179.4	0	0	0	0	0	114.1	Q292	Q292-G294 PolarHBondContact O-N 3.4Å
295	E	87.5	Confident	84.8	Confident	76 Å²	76	108 Å²	108	36%	0.355	59%	0.585	S	S	.	*	S	Bend	trans	-145.1	160.3	177.7	-100.3	-63	174.3	0	0	111.4	K233 V236 L237 P293	K233-E295 HydrophobicContact CG-CG 4.32Å; K233-E295 IonicContact NZ-OE2 3.79Å; K233-E295 PolarHBondContact NZ-OE2 2.93Å; V236-E295 HydrophobicContact CB-CB 4.4Å; V236-E295 HydrophobicContact CB-CG 3.99Å; V236-E295 HydrophobicContact CG1-CB 4.17Å; V236-E295 HydrophobicContact CG1-CG 3.92Å; V236-E295 HydrophobicContact CG2-CG 4.31Å; L237-E295 HydrophobicContact CD1-CB 4.49Å; L237-E295 HydrophobicContact CD2-CB 4.01Å; L237-E295 HydrophobicContact CG-CB 4.02Å; P293-E295 PolarHBondContact O-N 3.32Å
296	N	86.9	Confident	84.1	Confident	81 Å²	81	107.9 Å²	107.9	43%	0.433	57%	0.572	S	S	.	*			trans	-107.8	162	178.1	78.2	20.6	0	0	0	112.9	K233 Q298	K233-N296 PolarHBondContact NZ-O 3.22Å; K233-N296 PolarHBondContact NZ-OD1 3.26Å; N296-Q298 VanDerWaalsContact C-N 3.32Å; N296-Q298 PolarHBondContact O-N 3.02Å; N296-Q298 PolarHBondContact OD1-N 3.02Å
297	S	85.1	Confident	83.4	Confident	122 Å²	122	103.3 Å²	103.3	85%	0.853	55%	0.554	S	S	*	*			trans	-85	6.8	-177.8	52.7	0	0	0	0	115	L299	S297-L299 PolarHBondContact O-N 3.47Å
298	Q	82.3	Confident	82.9	Confident	118 Å²	118	103.3 Å²	103.3	55%	0.551	56%	0.557	S	S	*	*			trans	-75.9	123.2	-171.7	-169.9	176.5	2.4	0	0	112	N296 D300	N296-Q298 VanDerWaalsContact C-N 3.32Å; N296-Q298 PolarHBondContact O-N 3.02Å; N296-Q298 PolarHBondContact OD1-N 3.02Å; Q298-D300 VanDerWaalsContact CG-OD2 3.27Å; Q298-D300 WeakPolarHBondContact CG-OD2 3.37Å; Q298-D300 PolarHBondContact NE2-OD2 3.38Å
299	L	87.5	Confident	82.3	Confident	77 Å²	77	98.8 Å²	98.8	40%	0.403	53%	0.534	S	S	.	.			trans	-145.6	86.9	175.7	-70.8	176.8	0	0	0	109.3	L226 N229 Y230 K233 S297	L226-L299 HydrophobicContact CD1-CD1 4.4Å; L226-L299 HydrophobicContact CD1-CD2 4.33Å; N229-L299 HydrophobicContact CB-CD2 4.38Å; Y230-L299 HydrophobicContact CD2-CD1 4.15Å; K233-L299 HydrophobicContact CD-CD2 4.18Å; S297-L299 PolarHBondContact O-N 3.47Å
300	D	82.2	Confident	81.6	Confident	115 Å²	115	102.9 Å²	102.9	62%	0.615	55%	0.55	S	S	*	*			trans	-101.4	132.8	-176.4	-63.6	-51.8	0	0	0	112.4	Q298	Q298-D300 VanDerWaalsContact CG-OD2 3.27Å; Q298-D300 WeakPolarHBondContact CG-OD2 3.37Å; Q298-D300 PolarHBondContact NE2-OD2 3.38Å
301	F	89.2	Confident	81	Confident	140 Å²	140	103.2 Å²	103.2	61%	0.614	55%	0.554	S	S	*	*			trans	-102.5	107.4	170.4	176.7	-115.2	0	0	0	110.6	L222 M303	L222-F301 HydrophobicContact CD1-CE2 4.41Å; F301-M303 HydrophobicContact CE1-CB 3.85Å; F301-M303 HydrophobicContact CE1-CE 3.9Å; F301-M303 HydrophobicContact CE1-SD 4.07Å; F301-M303 HydrophobicContact CE2-CB 4.43Å; F301-M303 HydrophobicContact CZ-CB 3.75Å; F301-M303 HydrophobicContact CZ-CE 4.23Å; F301-M303 HydrophobicContact CZ-CG 4.2Å; F301-M303 HydrophobicContact CZ-SD 3.78Å
302	L	82	Confident	80.6	Confident	160 Å²	160	100.8 Å²	100.8	84%	0.838	54%	0.541	S	S	*	.			trans	-105.4	125.9	178.6	-61	178	0	0	0	110.5
303	M	78.6	Confident	79.9	Confident	124 Å²	124	101 Å²	101	61%	0.611	54%	0.541	S	S	*	.			trans	-143.2	109.3	-175.9	-178.9	179.1	56.5	0	0	112	F301 T305	F301-M303 HydrophobicContact CE1-CB 3.85Å; F301-M303 HydrophobicContact CE1-CE 3.9Å; F301-M303 HydrophobicContact CE1-SD 4.07Å; F301-M303 HydrophobicContact CE2-CB 4.43Å; F301-M303 HydrophobicContact CZ-CB 3.75Å; F301-M303 HydrophobicContact CZ-CE 4.23Å; F301-M303 HydrophobicContact CZ-CG 4.2Å; F301-M303 HydrophobicContact CZ-SD 3.78Å; M303-T305 HydrophobicContact CE-CG2 3.62Å; M303-T305 HydrophobicContact CG-CG2 3.77Å; M303-T305 PolarHBondContact O-N 3.07Å; M303-T305 HydrophobicContact SD-CG2 3.85Å
304	E	74.9	Confident	79.2	Confident	171 Å²	171	102.6 Å²	102.6	80%	0.799	54%	0.544	S	S	*	.			trans	-83.1	100.7	173.1	-171.3	-178.9	178	0	0	110.6
305	T	78.4	Confident	78.9	Confident	45 Å²	45	103.9 Å²	103.9	28%	0.276	54%	0.539	S	S	.	.	H	α-helix	trans	-88	-20	-177.1	59.6	0	0	0	0	114.3	M303 L308 K309	M303-T305 HydrophobicContact CE-CG2 3.62Å; M303-T305 HydrophobicContact CG-CG2 3.77Å; M303-T305 PolarHBondContact O-N 3.07Å; M303-T305 HydrophobicContact SD-CG2 3.85Å; T305-L308 PolarHBondContact O-N 3.22Å; T305-K309 WeakPolarHBondContact O-CG 3.25Å; T305-K309 PolarHBondContact O-N 3.47Å; T305-K309 WeakPolarHBondContact OG1-CE 3.27Å; T305-K309 PolarHBondContact OG1-NZ 2.95Å
306	D	72.9	Confident	77.7	Confident	83 Å²	83	103.2 Å²	103.2	44%	0.444	55%	0.552	S	S	.	*	H	α-helix	trans	-77.3	-26.5	-168.3	-64.5	-43.3	0	0	0	114.2	K309 K310	D306-K309 WeakPolarHBondContact OD1-CD 3.37Å; D306-K309 IonicContact OD1-NZ 3.06Å; D306-K309 PolarHBondContact OD1-NZ 3.46Å; D306-K310 WeakPolarHBondContact O-CD 3.11Å; D306-K310 VanDerWaalsContact O-CG 3.25Å; D306-K310 WeakPolarHBondContact O-CG 3.48Å; D306-K310 PolarHBondContact O-N 3.36Å
307	G	74.3	Confident	77.2	Confident	30 Å²	30	105.1 Å²	105.1	31%	0.309	57%	0.567	S	S	.	*	H	α-helix	trans	-62.3	-48.2	165.7	0	0	0	0	0	111.3	K310 S311	G307-K310 PolarHBondContact O-N 2.7Å; G307-S311 PolarHBondContact O-N 2.83Å; G307-S311 PolarHBondContact O-OG 3.05Å
308	L	76.5	Confident	76.6	Confident	90 Å²	90	104.3 Å²	104.3	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-65.3	-43.2	-179.6	-177.4	59.9	0	0	0	112.4	L215 T305 K310 S311 I312	L215-L308 HydrophobicContact CD2-CD2 4.49Å; T305-L308 PolarHBondContact O-N 3.22Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.87Å; L308-S311 PolarHBondContact O-N 3.11Å; L308-S311 VanDerWaalsContact O-N 3.16Å; L308-I312 HydrophobicContact CD1-CD1 4.24Å; L308-I312 HydrophobicContact CD1-CG1 4.35Å; L308-I312 HydrophobicContact CG-CD1 3.91Å; L308-I312 HydrophobicContact CG-CG1 4.47Å; L308-I312 WeakPolarHBondContact O-CG1 3.31Å; L308-I312 PolarHBondContact O-N 3.22Å
309	K	74.1	Confident	76.2	Confident	97 Å²	97	102 Å²	102	42%	0.422	55%	0.551	S	S	.	*	H	α-helix	trans	-55.8	-46.2	174.1	-68.9	169.1	-158.6	157.4	0	111.7	T305 D306 S311 I312 H313	T305-K309 WeakPolarHBondContact O-CG 3.25Å; T305-K309 PolarHBondContact O-N 3.47Å; T305-K309 WeakPolarHBondContact OG1-CE 3.27Å; T305-K309 PolarHBondContact OG1-NZ 2.95Å; D306-K309 WeakPolarHBondContact OD1-CD 3.37Å; D306-K309 IonicContact OD1-NZ 3.06Å; D306-K309 PolarHBondContact OD1-NZ 3.46Å; K309-S311 VanDerWaalsContact C-N 3.33Å; K309-S311 PolarHBondContact O-N 3.42Å; K309-I312 PolarHBondContact O-N 3.06Å; K309-H313 PolarHBondContact O-CD2 3.37Å; K309-H313 PolarHBondContact O-N 3.47Å
310	K	74.3	Confident	75.4	Confident	130 Å²	130	102.6 Å²	102.6	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-36	178.3	-70.8	167.2	-172.5	168.8	0	112	D306 G307 L308 N314	D306-K310 WeakPolarHBondContact O-CD 3.11Å; D306-K310 VanDerWaalsContact O-CG 3.25Å; D306-K310 WeakPolarHBondContact O-CG 3.48Å; D306-K310 PolarHBondContact O-N 3.36Å; G307-K310 PolarHBondContact O-N 2.7Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.87Å; K310-N314 PolarHBondContact O-ND2 2.86Å
311	S	74.6	Confident	75.1	Confident	63 Å²	63	98.5 Å²	98.5	44%	0.441	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-38.7	172.1	-62.6	0	0	0	0	112.8	G307 L308 K309 H313 N314 L315	G307-S311 PolarHBondContact O-N 2.83Å; G307-S311 PolarHBondContact O-OG 3.05Å; L308-S311 PolarHBondContact O-N 3.11Å; L308-S311 VanDerWaalsContact O-N 3.16Å; K309-S311 VanDerWaalsContact C-N 3.33Å; K309-S311 PolarHBondContact O-N 3.42Å; S311-H313 VanDerWaalsContact C-N 3.35Å; S311-H313 PolarHBondContact O-N 2.97Å; S311-N314 CarbonylContact O-C 3.57Å; S311-N314 PolarHBondContact O-N 3.05Å; S311-L315 PolarHBondContact O-N 3.48Å; S311-L315 VanDerWaalsContact O-N 3.11Å
312	I	79.8	Confident	74.5	Confident	87 Å²	87	97.3 Å²	97.3	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-39.4	176.2	-70.7	166	0	0	0	111.4	L308 K309 N314 L315	L308-I312 HydrophobicContact CD1-CD1 4.24Å; L308-I312 HydrophobicContact CD1-CG1 4.35Å; L308-I312 HydrophobicContact CG-CD1 3.91Å; L308-I312 HydrophobicContact CG-CG1 4.47Å; L308-I312 WeakPolarHBondContact O-CG1 3.31Å; L308-I312 PolarHBondContact O-N 3.22Å; K309-I312 PolarHBondContact O-N 3.06Å; I312-N314 PolarHBondContact O-N 3.19Å; I312-L315 HydrophobicContact CG1-CD1 4.33Å; I312-L315 PolarHBondContact O-N 3.16Å
313	H	71.9	Confident	74.3	Confident	162 Å²	162	90.1 Å²	90.1	75%	0.75	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.5	174	-69.7	-57.7	0	0	0	114.6	K309 S311	K309-H313 PolarHBondContact O-CD2 3.37Å; K309-H313 PolarHBondContact O-N 3.47Å; S311-H313 VanDerWaalsContact C-N 3.35Å; S311-H313 PolarHBondContact O-N 2.97Å
314	N	70.5	Confident	74.6	Confident	131 Å²	131	86.5 Å²	86.5	70%	0.701	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	7.5	175.6	-62.1	-42.6	0	0	0	112.5	K310 S311 I312 G316	K310-N314 PolarHBondContact O-ND2 2.86Å; S311-N314 CarbonylContact O-C 3.57Å; S311-N314 PolarHBondContact O-N 3.05Å; I312-N314 PolarHBondContact O-N 3.19Å; N314-G316 PolarHBondContact O-N 3.11Å
315	L	74.3	Confident	74.8	Confident	80 Å²	80	78.5 Å²	78.5	42%	0.419	45%	0.448	S	S	.	.	S	Bend	trans	-88.1	101.3	-175.4	-106.6	163.4	0	0	0	110.6	L211 S311 I312	L211-L315 HydrophobicContact CD1-CD1 4.49Å; L211-L315 HydrophobicContact CD1-CD2 4.24Å; S311-L315 PolarHBondContact O-N 3.48Å; S311-L315 VanDerWaalsContact O-N 3.11Å; I312-L315 HydrophobicContact CG1-CD1 4.33Å; I312-L315 PolarHBondContact O-N 3.16Å
316	G	62	Low	75	Confident	62 Å²	62	79.6 Å²	79.6	64%	0.639	46%	0.458	S	S	*	.			trans	94.5	140.7	-179.6	0	0	0	0	0	113.1	N314	N314-G316 PolarHBondContact O-N 3.11Å
317	T	75.9	Confident	75.5	Confident	120 Å²	120	78.4 Å²	78.4	74%	0.736	45%	0.449	S	S	*	.			trans	-151.7	121.3	172.1	-63.5	0	0	0	0	107.7	V319	T317-V319 HydrophobicContact CG2-CG2 4.17Å; T317-V319 PolarHBondContact O-N 2.91Å
318	V	73.1	Confident	76	Confident	106 Å²	106	77 Å²	77	64%	0.642	44%	0.435	S	S	*	.			trans	-76.1	114.5	173.6	-178	0	0	0	0	107.9	T320	V318-T320 HydrophobicContact CG1-CG2 4.38Å
319	V	72.7	Confident	76.4	Confident	70 Å²	70	75.1 Å²	75.1	42%	0.424	43%	0.427	S	S	.	.			trans	-103	128.3	178.6	-175.8	0	0	0	0	109.5	T317 M360 N362	T317-V319 HydrophobicContact CG2-CG2 4.17Å; T317-V319 PolarHBondContact O-N 2.91Å; V319-M360 HydrophobicContact CG1-CE 4.03Å; V319-N362 HydrophobicContact CG1-CB 4.43Å
320	T	70.8	Confident	76.9	Confident	89 Å²	89	71.2 Å²	71.2	55%	0.546	41%	0.411	S	S	.	.			trans	-128.6	160.5	175.5	58.1	0	0	0	0	110.1	V318	V318-T320 HydrophobicContact CG1-CG2 4.38Å
321	T	75.6	Confident	77.3	Confident	28 Å²	28	68.4 Å²	68.4	17%	0.172	41%	0.405	C	S	.	.			trans	-130	142.2	169.9	98.3	0	0	0	0	109.6	A323 G361 A363 Y408	T321-A323 VanDerWaalsContact C-N 3.25Å; T321-A323 PolarHBondContact O-N 2.97Å; T321-A323 WeakPolarHBondContact OG1-CB 3.49Å; T321-A323 PolarHBondContact OG1-N 3.46Å; T321-G361 WeakPolarHBondContact CG2-O 3.37Å; T321-A363 HydrophobicContact CG2-CB 4.08Å; T321-Y408 PolarHBondContact OG1-OH 2.65Å; T321-Y408 VanDerWaalsContact OG1-OH 3.1Å
322	N	77	Confident	77.4	Confident	116 Å²	116	67.3 Å²	67.3	62%	0.62	40%	0.403	S	S	*	.			trans	-92.7	20.3	177.6	-63.1	-3.5	0	0	0	111.7	V324 D352	N322-V324 PolarHBondContact O-N 3.3Å; N322-D352 HydrophobicContact CB-CB 4.17Å; N322-D352 WeakPolarHBondContact O-CA 3.41Å
323	A	79	Confident	76.9	Confident	9 Å²	9	71.5 Å²	71.5	7%	0.074	42%	0.421	C	S	.	.			trans	-72.7	123	-168.5	0	0	0	0	0	112.5	T321 T350 K351 A363 L407	T321-A323 VanDerWaalsContact C-N 3.25Å; T321-A323 PolarHBondContact O-N 2.97Å; T321-A323 WeakPolarHBondContact OG1-CB 3.49Å; T321-A323 PolarHBondContact OG1-N 3.46Å; A323-T350 HydrophobicContact CB-CG2 3.9Å; A323-K351 WeakPolarHBondContact CA-O 3.37Å; A323-A363 HydrophobicContact CB-CB 4.06Å; A323-L407 HydrophobicContact CB-CD2 3.84Å
324	V	83.2	Confident	76.7	Confident	47 Å²	47	64 Å²	64	29%	0.285	39%	0.388	S	S	.	.			trans	-107.7	132.4	-178	-176.6	0	0	0	0	110.4	N322 S326 E327 T328 K351 K353	N322-V324 PolarHBondContact O-N 3.3Å; V324-S326 WeakPolarHBondContact CG1-OG 3.4Å; V324-S326 PolarHBondContact O-N 3.39Å; V324-E327 PolarHBondContact O-N 3.02Å; V324-T328 VanDerWaalsContact O-CB 3.32Å; V324-T328 WeakPolarHBondContact O-CB 3.47Å; V324-T328 PolarHBondContact O-N 3.37Å; V324-T328 PolarHBondContact O-OG1 3.03Å; V324-K351 PolarHBondContact N-O 3.48Å; V324-K353 HydrophobicContact CG2-CB 4.16Å
325	A	81.1	Confident	76.7	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-40.2	-174.7	0	0	0	0	0	113	E327 T328 L407 Q410 I412 R413	A325-E327 VanDerWaalsContact C-N 3.31Å; A325-E327 PolarHBondContact O-N 3.18Å; A325-T328 PolarHBondContact O-N 3.35Å; A325-L407 HydrophobicContact CB-CB 4.12Å; A325-L407 HydrophobicContact CB-CD2 4.42Å; A325-Q410 HydrophobicContact CB-CB 3.72Å; A325-I412 HydrophobicContact CB-CG2 4.19Å; A325-I412 VanDerWaalsContact O-CA 3.26Å; A325-I412 WeakPolarHBondContact O-CA 3.31Å; A325-R413 PolarHBondContact O-N 2.82Å
326	S	81.3	Confident	76.5	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.1	-178.6	61.6	0	0	0	0	114	V324 R413	V324-S326 WeakPolarHBondContact CG1-OG 3.4Å; V324-S326 PolarHBondContact O-N 3.39Å; S326-R413 WeakPolarHBondContact O-CB 3.35Å; S326-R413 WeakPolarHBondContact O-CD 3.45Å
327	E	82.8	Confident	77.2	Confident	58 Å²	58	67.1 Å²	67.1	27%	0.271	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.5	178.7	-65.3	-46.6	128.9	0	0	113.8	V324 A325 V329 K351 R413	V324-E327 PolarHBondContact O-N 3.02Å; A325-E327 VanDerWaalsContact C-N 3.31Å; A325-E327 PolarHBondContact O-N 3.18Å; E327-V329 VanDerWaalsContact O-CG2 3.29Å; E327-V329 WeakPolarHBondContact O-CG2 3.46Å; E327-V329 PolarHBondContact O-N 3.11Å; E327-K351 HydrophobicContact CB-CB 3.94Å; E327-K351 WeakPolarHBondContact O-CD 3.28Å; E327-R413 IonicContact OE1-NH1 3.6Å; E327-R413 IonicContact OE2-NH1 2.84Å; E327-R413 PolarHBondContact OE2-NH1 2.93Å
328	T	86	Confident	77.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	34%	0.338	C	S	.	.			trans	-58.6	125.6	175.5	-70.3	0	0	0	0	111.1	V324 A325 I348 T350 K351 I412 R413	V324-T328 VanDerWaalsContact O-CB 3.32Å; V324-T328 WeakPolarHBondContact O-CB 3.47Å; V324-T328 PolarHBondContact O-N 3.37Å; V324-T328 PolarHBondContact O-OG1 3.03Å; A325-T328 PolarHBondContact O-N 3.35Å; T328-I348 HydrophobicContact CG2-CG2 3.7Å; T328-T350 HydrophobicContact CG2-CG2 4.07Å; T328-K351 PolarHBondContact OG1-N 2.92Å; T328-I412 HydrophobicContact CG2-CB 4.37Å; T328-I412 HydrophobicContact CG2-CD1 4.23Å; T328-I412 HydrophobicContact CG2-CG2 4.15Å; T328-R413 WeakPolarHBondContact O-CB 3.41Å
329	V	85	Confident	77.5	Confident	51 Å²	51	58.3 Å²	58.3	31%	0.309	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.5	-174.2	-176	0	0	0	0	110.4	E327 T331 T349 K351	E327-V329 VanDerWaalsContact O-CG2 3.29Å; E327-V329 WeakPolarHBondContact O-CG2 3.46Å; E327-V329 PolarHBondContact O-N 3.11Å; V329-T331 HydrophobicContact CG1-CG2 4.23Å; V329-T349 PolarHBondContact N-O 3.06Å; V329-T349 VanDerWaalsContact N-O 3.08Å; V329-T349 PolarHBondContact O-N 3.19Å; V329-K351 HydrophobicContact CG2-CD 4.27Å
330	V	85.2	Confident	77.9	Confident	14 Å²	14	56.8 Å²	56.8	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.7	172.9	-156.4	0	0	0	0	110.2	L335 V346 I348 L405 I412 F417	V330-L335 HydrophobicContact CB-CD1 4.01Å; V330-L335 HydrophobicContact CB-CD2 4.41Å; V330-L335 HydrophobicContact CG1-CD1 3.95Å; V330-L335 HydrophobicContact CG1-CD2 3.96Å; V330-L335 HydrophobicContact CG1-CG 4.37Å; V330-V346 HydrophobicContact CG1-CG1 3.24Å; V330-I348 HydrophobicContact CG1-CG1 4.03Å; V330-L405 HydrophobicContact CG1-CD1 3.92Å; V330-L405 HydrophobicContact CG2-CD1 3.84Å; V330-I412 HydrophobicContact CG2-CD1 3.32Å; V330-I412 HydrophobicContact CG2-CG1 4.14Å; V330-F417 HydrophobicContact CB-CE2 4.35Å; V330-F417 HydrophobicContact CB-CZ 4.04Å; V330-F417 HydrophobicContact CG2-CE2 3.77Å; V330-F417 HydrophobicContact CG2-CZ 3.7Å
331	T	81.1	Confident	77.8	Confident	72 Å²	72	55.3 Å²	55.3	44%	0.442	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.6	179.3	62	0	0	0	0	111.2	V329 T347	V329-T331 HydrophobicContact CG1-CG2 4.23Å; T331-T347 PolarHBondContact N-O 3.12Å; T331-T347 PolarHBondContact O-N 2.99Å; T331-T347 PolarHBondContact OG1-O 3.33Å
332	G	77.3	Confident	78.1	Confident	39 Å²	39	57.2 Å²	57.2	40%	0.402	32%	0.322	S	S	.	.	S	Bend	trans	127.2	149.1	-178	0	0	0	0	0	112.5	G334 L335	G332-G334 PolarHBondContact O-N 3.11Å; G332-L335 WeakPolarHBondContact O-CB 3.08Å; G332-L335 PolarHBondContact O-N 3.08Å
333	E	69.5	Low	78.2	Confident	176 Å²	176	56.1 Å²	56.1	82%	0.822	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-66.7	-29.9	-177.4	-58.8	-169.7	143.3	0	0	112.2	L335 R336 H337	E333-L335 PolarHBondContact O-N 3.25Å; E333-R336 PolarHBondContact O-N 3.37Å; E333-H337 PolarHBondContact O-N 3.15Å; E333-H337 VanDerWaalsContact O-N 3.15Å
334	G	66.9	Low	78.4	Confident	4 Å²	4	56.6 Å²	56.6	4%	0.041	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-58.8	-14.2	174.5	0	0	0	0	0	115.8	G332 R336 H337 T344 I419	G332-G334 PolarHBondContact O-N 3.11Å; G334-R336 PolarHBondContact O-N 3.42Å; G334-H337 WeakPolarHBondContact CA-O 3.49Å; G334-T344 VanDerWaalsContact CA-CG2 3.44Å; G334-I419 WeakPolarHBondContact O-CD1 3.28Å; G334-I419 WeakPolarHBondContact O-CG2 3.31Å
335	L	70.3	Confident	78.4	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.126	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-73.1	-13.5	171	-71.7	172.7	0	0	0	113.7	V330 G332 E333 V346 L403 F417	V330-L335 HydrophobicContact CB-CD1 4.01Å; V330-L335 HydrophobicContact CB-CD2 4.41Å; V330-L335 HydrophobicContact CG1-CD1 3.95Å; V330-L335 HydrophobicContact CG1-CD2 3.96Å; V330-L335 HydrophobicContact CG1-CG 4.37Å; G332-L335 WeakPolarHBondContact O-CB 3.08Å; G332-L335 PolarHBondContact O-N 3.08Å; E333-L335 PolarHBondContact O-N 3.25Å; L335-V346 HydrophobicContact CD1-CG1 4.46Å; L335-V346 HydrophobicContact CD2-CG1 3.69Å; L335-V346 HydrophobicContact CD2-CG2 4.37Å; L335-V346 HydrophobicContact CG-CG1 3.88Å; L335-V346 HydrophobicContact CG-CG2 4.24Å; L335-L403 HydrophobicContact CD2-CD2 4.42Å; L335-F417 HydrophobicContact CD2-CB 4.39Å; L335-F417 HydrophobicContact CD2-CD1 4.17Å; L335-F417 HydrophobicContact CD2-CD2 4.26Å; L335-F417 HydrophobicContact CD2-CG 4.02Å
336	R	71.7	Confident	78.7	Confident	192 Å²	192	56.4 Å²	56.4	73%	0.725	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-48.8	-176.2	-62.6	-176.7	179.9	-172.5	-0.2	111.8	E333 G334 K420	E333-R336 PolarHBondContact O-N 3.37Å; G334-R336 PolarHBondContact O-N 3.42Å; R336-K420 PolarHBondContact O-N 3.18Å
337	H	75	Confident	78.9	Confident	123 Å²	123	55.1 Å²	55.1	57%	0.569	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.6	-178.1	-59.2	107.7	0	0	0	110.6	E333 G334 K420	E333-H337 PolarHBondContact O-N 3.15Å; E333-H337 VanDerWaalsContact O-N 3.15Å; G334-H337 WeakPolarHBondContact CA-O 3.49Å; H337-K420 WeakPolarHBondContact CA-O 3.45Å
338	C	77.6	Confident	79.1	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.3	170.3	63	0	0	0	0	110.7	T344 I419 K420 A421 T422	C338-T344 HydrophobicContact CB-CG2 3.98Å; C338-I419 HydrophobicContact CB-CG2 4.33Å; C338-K420 PolarHBondContact N-O 2.64Å; C338-A421 WeakPolarHBondContact O-CA 3.28Å; C338-T422 PolarHBondContact O-N 3.34Å
339	V	79.6	Confident	79.1	Confident	35 Å²	35	53.6 Å²	53.6	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.4	179.2	-179.7	0	0	0	0	109.6	G341 V342 T422	V339-G341 PolarHBondContact O-N 3.2Å; V339-V342 HydrophobicContact CB-CB 4.02Å; V339-V342 HydrophobicContact CB-CG2 3.82Å; V339-V342 HydrophobicContact CG1-CB 4.39Å; V339-V342 HydrophobicContact CG1-CG2 3.67Å; V339-V342 PolarHBondContact O-N 2.75Å; V339-V342 VanDerWaalsContact O-N 3.12Å; V339-T422 WeakPolarHBondContact CA-O 3.42Å
340	V	79.3	Confident	79.1	Confident	38 Å²	38	51.2 Å²	51.2	23%	0.23	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	128.1	177.5	-178.6	0	0	0	0	109.9	V342 A395 E398 A421 T422 I423	V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.01Å; V340-A395 WeakPolarHBondContact CA-O 3.43Å; V340-E398 HydrophobicContact CG2-CB 4.1Å; V340-A421 HydrophobicContact CG2-CB 4.08Å; V340-T422 PolarHBondContact N-O 3.05Å; V340-I423 HydrophobicContact CB-CG1 4.15Å; V340-I423 HydrophobicContact CG2-CG1 3.91Å
341	G	70.3	Confident	79	Confident	57 Å²	57	53.1 Å²	53.1	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	5	-178.5	0	0	0	0	0	116	V339 A395	V339-G341 PolarHBondContact O-N 3.2Å; G341-A395 PolarHBondContact N-O 3.27Å
342	V	81	Confident	79	Confident	68 Å²	68	51.1 Å²	51.1	41%	0.412	29%	0.29	S	S	.	.	S	Bend	trans	-108.3	127.7	175.6	-178.2	0	0	0	0	110.1	V339 V340 T344	V339-V342 HydrophobicContact CB-CB 4.02Å; V339-V342 HydrophobicContact CB-CG2 3.82Å; V339-V342 HydrophobicContact CG1-CB 4.39Å; V339-V342 HydrophobicContact CG1-CG2 3.67Å; V339-V342 PolarHBondContact O-N 2.75Å; V339-V342 VanDerWaalsContact O-N 3.12Å; V340-V342 VanDerWaalsContact C-N 3.31Å; V340-V342 PolarHBondContact O-N 3.01Å; V342-T344 PolarHBondContact O-N 2.83Å; V342-T344 PolarHBondContact O-OG1 2.91Å
343	P	79.7	Confident	79.1	Confident	93 Å²	93	56.5 Å²	56.5	60%	0.604	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.9	175	27	-34	0	0	0	109.8	T394	P343-T394 WeakPolarHBondContact CA-OG1 3.44Å
344	T	81.8	Confident	79.6	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.117	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.2	-174.7	-57.9	0	0	0	0	109	G334 C338 V342 F393	G334-T344 VanDerWaalsContact CA-CG2 3.44Å; C338-T344 HydrophobicContact CB-CG2 3.98Å; V342-T344 PolarHBondContact O-N 2.83Å; V342-T344 PolarHBondContact O-OG1 2.91Å; T344-F393 HydrophobicContact CG2-CE1 4.29Å; T344-F393 HydrophobicContact CG2-CZ 4.13Å; T344-F393 PolarHBondContact N-O 3.06Å; T344-F393 WeakPolarHBondContact O-CD1 3.28Å; T344-F393 PolarHBondContact O-N 3.33Å; T344-F393 VanDerWaalsContact O-N 3.08Å
345	A	84.3	Confident	79.7	Confident	48 Å²	48	54.3 Å²	54.3	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.3	178.6	0	0	0	0	0	111.8	Y391 L392	A345-Y391 CarbonylContact C-O 3.55Å; A345-Y391 WeakPolarHBondContact CA-O 3.26Å; A345-L392 HydrophobicContact CB-CD1 4.26Å; A345-L392 HydrophobicContact CB-CG 4.22Å
346	V	87	Confident	80.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.1	176.7	166.7	0	0	0	0	108.9	V330 L335 Y391 F393	V330-V346 HydrophobicContact CG1-CG1 3.24Å; L335-V346 HydrophobicContact CD1-CG1 4.46Å; L335-V346 HydrophobicContact CD2-CG1 3.69Å; L335-V346 HydrophobicContact CD2-CG2 4.37Å; L335-V346 HydrophobicContact CG-CG1 3.88Å; L335-V346 HydrophobicContact CG-CG2 4.24Å; V346-Y391 PolarHBondContact N-O 3.04Å; V346-Y391 PolarHBondContact O-N 3.46Å; V346-F393 HydrophobicContact CG2-CE1 3.91Å
347	T	86.2	Confident	80.4	Confident	40 Å²	40	54.3 Å²	54.3	25%	0.245	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.9	-173.6	-47.8	0	0	0	0	110.9	T331 Y389	T331-T347 PolarHBondContact N-O 3.12Å; T331-T347 PolarHBondContact O-N 2.99Å; T331-T347 PolarHBondContact OG1-O 3.33Å; T347-Y389 CarbonylContact C-O 3.56Å; T347-Y389 WeakPolarHBondContact CA-O 3.3Å
348	I	87.6	Confident	80.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.9	171.2	-49.8	169.6	0	0	0	107.7	T328 V330 I365 T388 Y389 L405 I412	T328-I348 HydrophobicContact CG2-CG2 3.7Å; V330-I348 HydrophobicContact CG1-CG1 4.03Å; I348-I365 HydrophobicContact CD1-CD1 4.24Å; I348-I365 HydrophobicContact CD1-CG2 3.82Å; I348-I365 HydrophobicContact CG2-CD1 4.11Å; I348-T388 CarbonylContact O-C 3.45Å; I348-T388 WeakPolarHBondContact O-CA 3.3Å; I348-Y389 PolarHBondContact N-O 2.87Å; I348-Y389 PolarHBondContact O-N 2.98Å; I348-L405 HydrophobicContact CD1-CD1 3.95Å; I348-L405 HydrophobicContact CD1-CD2 3.82Å; I348-L405 HydrophobicContact CD1-CG 4.44Å; I348-L405 HydrophobicContact CG1-CD1 4.06Å; I348-I412 HydrophobicContact CG2-CD1 4.15Å
349	T	85.3	Confident	80.3	Confident	26 Å²	26	57.5 Å²	57.5	16%	0.16	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	107.7	-179.2	-59.4	0	0	0	0	108.4	V329 L357 T388	V329-T349 PolarHBondContact N-O 3.06Å; V329-T349 VanDerWaalsContact N-O 3.08Å; V329-T349 PolarHBondContact O-N 3.19Å; T349-L357 HydrophobicContact CG2-CD2 3.41Å; T349-L357 VanDerWaalsContact CG2-CD2 3.41Å; T349-T388 HydrophobicContact CG2-CG2 4.37Å
350	T	84	Confident	79.5	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	34%	0.335	C	S	.	.			trans	-75.6	141.1	-178.2	53.3	0	0	0	0	111.5	A323 T328 C358 A363 I365 G387 Y389 L407	A323-T350 HydrophobicContact CB-CG2 3.9Å; T328-T350 HydrophobicContact CG2-CG2 4.07Å; T350-C358 PolarHBondContact O-N 3.38Å; T350-C358 VanDerWaalsContact O-N 3.14Å; T350-C358 WeakPolarHBondContact OG1-CB 3.45Å; T350-A363 HydrophobicContact CG2-CB 4.33Å; T350-I365 HydrophobicContact CG2-CD1 4.45Å; T350-G387 PolarHBondContact N-O 2.89Å; T350-G387 PolarHBondContact OG1-O 3.08Å; T350-G387 VanDerWaalsContact OG1-O 3.06Å; T350-Y389 HydrophobicContact CG2-CD2 4.16Å; T350-Y389 HydrophobicContact CG2-CE2 3.67Å; T350-L407 HydrophobicContact CG2-CD1 4.45Å
351	K	83.4	Confident	78.8	Confident	55 Å²	55	59 Å²	59	24%	0.239	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-128.4	151.7	-180	-73.3	-171.3	160.8	-143	0	111	A323 V324 E327 T328 V329 G355 E356 L357	A323-K351 WeakPolarHBondContact CA-O 3.37Å; V324-K351 PolarHBondContact N-O 3.48Å; E327-K351 HydrophobicContact CB-CB 3.94Å; E327-K351 WeakPolarHBondContact O-CD 3.28Å; T328-K351 PolarHBondContact OG1-N 2.92Å; V329-K351 HydrophobicContact CG2-CD 4.27Å; K351-G355 WeakPolarHBondContact CD-O 3.46Å; K351-G355 VanDerWaalsContact CE-O 3.31Å; K351-G355 WeakPolarHBondContact CE-O 3.27Å; K351-G355 PolarHBondContact NZ-O 3.02Å; K351-E356 CarbonylContact C-O 3.49Å; K351-E356 WeakPolarHBondContact CA-O 3.41Å; K351-E356 WeakPolarHBondContact CB-O 3.44Å; K351-L357 HydrophobicContact CG-CD2 4.29Å
352	D	81.9	Confident	78.9	Confident	30 Å²	30	61.2 Å²	61.2	16%	0.16	33%	0.326	C	S	.	.			trans	-83.4	-177.9	172.8	66.6	29.1	0	0	0	112.8	N322 D354 G355 E356	N322-D352 HydrophobicContact CB-CB 4.17Å; N322-D352 WeakPolarHBondContact O-CA 3.41Å; D352-D354 PolarHBondContact O-N 3.19Å; D352-D354 WeakPolarHBondContact OD1-CA 3.38Å; D352-D354 PolarHBondContact OD1-N 3.34Å; D352-G355 PolarHBondContact O-N 2.98Å; D352-G355 VanDerWaalsContact O-N 3.11Å; D352-G355 PolarHBondContact OD1-N 3.28Å; D352-E356 PolarHBondContact N-O 3.49Å; D352-E356 PolarHBondContact OD1-N 2.97Å
353	K	79.8	Confident	78.8	Confident	151 Å²	151	58.4 Å²	58.4	66%	0.657	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.1	-179.8	64.3	160.3	-173.8	59.8	0	114.7	V324	V324-K353 HydrophobicContact CG2-CB 4.16Å
354	D	78.5	Confident	78.8	Confident	117 Å²	117	58.5 Å²	58.5	63%	0.626	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	0.9	-179.4	-55.8	-51.2	0	0	0	111.1	D352 E356	D352-D354 PolarHBondContact O-N 3.19Å; D352-D354 WeakPolarHBondContact OD1-CA 3.38Å; D352-D354 PolarHBondContact OD1-N 3.34Å; D354-E356 VanDerWaalsContact C-N 3.35Å
355	G	70.3	Confident	78.9	Confident	17 Å²	17	58.7 Å²	58.7	18%	0.175	31%	0.309	C	S	.	.	S	Bend	trans	82.9	8.9	179.9	0	0	0	0	0	113.9	K351 D352	K351-G355 WeakPolarHBondContact CD-O 3.46Å; K351-G355 VanDerWaalsContact CE-O 3.31Å; K351-G355 WeakPolarHBondContact CE-O 3.27Å; K351-G355 PolarHBondContact NZ-O 3.02Å; D352-G355 PolarHBondContact O-N 2.98Å; D352-G355 VanDerWaalsContact O-N 3.11Å; D352-G355 PolarHBondContact OD1-N 3.28Å
356	E	77.9	Confident	78.9	Confident	125 Å²	125	58.3 Å²	58.3	58%	0.584	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-82.3	158.7	177.2	-82.4	-62.5	151.1	0	0	112	K351 D352 D354 C358	K351-E356 CarbonylContact C-O 3.49Å; K351-E356 WeakPolarHBondContact CA-O 3.41Å; K351-E356 WeakPolarHBondContact CB-O 3.44Å; D352-E356 PolarHBondContact N-O 3.49Å; D352-E356 PolarHBondContact OD1-N 2.97Å; D354-E356 VanDerWaalsContact C-N 3.35Å; E356-C358 PolarHBondContact O-N 3.32Å
357	L	78.8	Confident	78.7	Confident	92 Å²	92	59.6 Å²	59.6	48%	0.482	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-74.9	124.9	-177.6	-65	175.8	0	0	0	111	T349 K351	T349-L357 HydrophobicContact CG2-CD2 3.41Å; T349-L357 VanDerWaalsContact CG2-CD2 3.41Å; K351-L357 HydrophobicContact CG-CD2 4.29Å
358	C	77.7	Confident	78.6	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.095	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-60.6	141.2	168	-70.8	0	0	0	0	109.9	T350 E356 N386	T350-C358 PolarHBondContact O-N 3.38Å; T350-C358 VanDerWaalsContact O-N 3.14Å; T350-C358 WeakPolarHBondContact OG1-CB 3.45Å; E356-C358 PolarHBondContact O-N 3.32Å; C358-N386 VanDerWaalsContact O-O 3.13Å
359	K	71.7	Confident	78.5	Confident	181 Å²	181	60.4 Å²	60.4	79%	0.787	32%	0.32	S	S	*	.			trans	-110	8.4	-173.7	-64.6	169.4	-173	161.9	0	113.4
360	M	63.3	Low	78.3	Confident	98 Å²	98	61.2 Å²	61.2	48%	0.483	33%	0.326	S	S	.	.			trans	-140.1	145.5	-173.1	-65.9	173.3	64.8	0	0	109.6	V319 G387	V319-M360 HydrophobicContact CG1-CE 4.03Å; M360-G387 PolarHBondContact O-N 3.44Å
361	G	64.6	Low	78	Confident	7 Å²	7	61.8 Å²	61.8	7%	0.072	33%	0.33	C	S	.	.			trans	-78.3	-159.2	172.8	0	0	0	0	0	114	T321 D383 Q385 Y389	T321-G361 WeakPolarHBondContact CG2-O 3.37Å; G361-D383 VanDerWaalsContact CA-OD2 3.24Å; G361-D383 WeakPolarHBondContact CA-OD2 3.06Å; G361-Q385 PolarHBondContact N-O 2.83Å; G361-Y389 VanDerWaalsContact C-OH 3.29Å; G361-Y389 WeakPolarHBondContact CA-OH 3.16Å
362	N	73.1	Confident	77.3	Confident	103 Å²	103	63.7 Å²	63.7	55%	0.551	35%	0.348	S	S	*	.			trans	67.8	26.6	179.3	-57.4	-28.9	0	0	0	116.1	V319 D383 Y389	V319-N362 HydrophobicContact CG1-CB 4.43Å; N362-D383 PolarHBondContact N-OD2 2.79Å; N362-Y389 PolarHBondContact N-OH 3.01Å
363	A	78.5	Confident	76.5	Confident	10 Å²	10	67.4 Å²	67.4	8%	0.083	37%	0.368	C	S	.	.			trans	-84	135	172.3	0	0	0	0	0	111.1	T321 A323 T350 I365 Y389 L407	T321-A363 HydrophobicContact CG2-CB 4.08Å; A323-A363 HydrophobicContact CB-CB 4.06Å; T350-A363 HydrophobicContact CG2-CB 4.33Å; A363-I365 PolarHBondContact O-N 2.95Å; A363-I365 VanDerWaalsContact O-N 3.08Å; A363-Y389 HydrophobicContact CB-CE2 4.38Å; A363-Y389 WeakPolarHBondContact CB-OH 3.32Å; A363-Y389 PolarHBondContact N-OH 2.93Å; A363-L407 HydrophobicContact CB-CD1 3.89Å
364	V	79.6	Confident	75.8	Confident	94 Å²	94	63 Å²	63	57%	0.57	37%	0.366	S	S	*	.			trans	-81.6	95.7	-172.1	-177	0	0	0	0	110.8	Y408	V364-Y408 HydrophobicContact CB-CD1 3.84Å; V364-Y408 HydrophobicContact CB-CE1 3.71Å; V364-Y408 HydrophobicContact CG2-CD1 4.25Å; V364-Y408 HydrophobicContact CG2-CE1 3.73Å; V364-Y408 PolarHBondContact O-N 3.22Å
365	I	83.8	Confident	75.4	Confident	23 Å²	23	60 Å²	60	12%	0.118	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	177.5	-60	171	0	0	0	109.9	I348 T350 A363 I381 Y389 R406 L407	I348-I365 HydrophobicContact CD1-CD1 4.24Å; I348-I365 HydrophobicContact CD1-CG2 3.82Å; I348-I365 HydrophobicContact CG2-CD1 4.11Å; T350-I365 HydrophobicContact CG2-CD1 4.45Å; A363-I365 PolarHBondContact O-N 2.95Å; A363-I365 VanDerWaalsContact O-N 3.08Å; I365-I381 HydrophobicContact CB-CD1 4.2Å; I365-I381 HydrophobicContact CG2-CD1 3.88Å; I365-I381 WeakPolarHBondContact O-CD1 3.34Å; I365-Y389 HydrophobicContact CD1-CD1 3.81Å; I365-Y389 HydrophobicContact CD1-CD2 3.54Å; I365-Y389 HydrophobicContact CD1-CE1 4.18Å; I365-Y389 HydrophobicContact CD1-CE2 4Å; I365-Y389 HydrophobicContact CD1-CG 3.49Å; I365-Y389 VanDerWaalsContact CD1-CG 3.49Å; I365-R406 CarbonylContact C-O 3.6Å; I365-R406 WeakPolarHBondContact CA-O 3.24Å; I365-L407 HydrophobicContact CD1-CD1 4.48Å; I365-L407 HydrophobicContact CG1-CD1 3.57Å
366	A	83.6	Confident	75.6	Confident	40 Å²	40	66 Å²	66	33%	0.331	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.8	169.2	0	0	0	0	0	110.2	R406	A366-R406 HydrophobicContact CB-CB 4.46Å; A366-R406 PolarHBondContact N-O 3.4Å; A366-R406 PolarHBondContact O-N 3.44Å
367	A	84.1	Confident	75.5	Confident	28 Å²	28	61.1 Å²	61.1	23%	0.231	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.1	-178.2	0	0	0	0	0	110.8	I381 Y391 L405	A367-I381 HydrophobicContact CB-CD1 4.05Å; A367-I381 HydrophobicContact CB-CG1 4.43Å; A367-Y391 HydrophobicContact CB-CD2 3.75Å; A367-Y391 HydrophobicContact CB-CE1 4.29Å; A367-Y391 HydrophobicContact CB-CE2 3.39Å; A367-Y391 HydrophobicContact CB-CG 4.32Å; A367-L405 HydrophobicContact CB-CD2 3.52Å
368	D	84.1	Confident	75.1	Confident	55 Å²	55	64 Å²	64	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	172.9	-89.6	-56.6	0	0	0	109.1	K376 S404	D368-K376 WeakPolarHBondContact OD1-CE 3.4Å; D368-K376 IonicContact OD1-NZ 3.69Å; D368-K376 PolarHBondContact OD1-NZ 3.48Å; D368-S404 PolarHBondContact N-O 3.19Å; D368-S404 WeakPolarHBondContact O-CA 3.47Å; D368-S404 WeakPolarHBondContact O-CB 3.39Å; D368-S404 PolarHBondContact O-N 3.44Å
369	I	84.1	Confident	75	Confident	2 Å²	2	65 Å²	65	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	173.1	-176.9	169	0	0	0	110.6	K376 V377 Y391 F393 L401 T402 L403	I369-K376 WeakPolarHBondContact O-CA 3.44Å; I369-V377 HydrophobicContact CG2-CB 3.88Å; I369-V377 WeakPolarHBondContact CG2-O 3.29Å; I369-V377 PolarHBondContact O-N 2.85Å; I369-Y391 VanDerWaalsContact CG2-OH 3.27Å; I369-Y391 WeakPolarHBondContact CG2-OH 3.44Å; I369-F393 HydrophobicContact CD1-CD2 3.54Å; I369-F393 HydrophobicContact CD1-CE2 3.76Å; I369-F393 HydrophobicContact CD1-CG 4.04Å; I369-F393 HydrophobicContact CD1-CZ 4.42Å; I369-L401 HydrophobicContact CD1-CB 4.11Å; I369-L401 HydrophobicContact CD1-CD1 4.01Å; I369-L401 HydrophobicContact CG1-CB 4.21Å; I369-T402 WeakPolarHBondContact CA-O 3.4Å; I369-L403 HydrophobicContact CB-CD1 4.06Å
370	S	82.3	Confident	75.5	Confident	43 Å²	43	63.2 Å²	63.2	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.7	-176.6	57.7	0	0	0	0	112.7	L401 T402	S370-L401 WeakPolarHBondContact O-CA 3.35Å; S370-T402 PolarHBondContact N-O 3.33Å; S370-T402 PolarHBondContact O-N 3.43Å
371	S	76.8	Confident	76.6	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.084	37%	0.369	C	S	.	.			trans	-86.2	162.6	173.7	-48.7	0	0	0	0	110.9	D373 G374 S375	S371-D373 PolarHBondContact O-N 3.23Å; S371-G374 PolarHBondContact O-N 3.46Å; S371-S375 WeakPolarHBondContact CB-O 3.35Å; S371-S375 WeakPolarHBondContact CB-OG 3.25Å; S371-S375 PolarHBondContact N-O 2.93Å; S371-S375 PolarHBondContact OG-O 3.28Å; S371-S375 PolarHBondContact OG-OG 2.87Å
372	P	68.3	Low	77.5	Confident	96 Å²	96	65.6 Å²	65.6	62%	0.623	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.2	172.4	-25	35.5	0	0	0	113.2	G374 F400	P372-G374 PolarHBondContact O-N 2.75Å; P372-F400 VanDerWaalsContact CD-O 3.3Å; P372-F400 WeakPolarHBondContact CD-O 3.46Å; P372-F400 VanDerWaalsContact CG-O 3.28Å; P372-F400 WeakPolarHBondContact CG-O 3.47Å
373	D	66.6	Low	78	Confident	108 Å²	108	62.9 Å²	62.9	58%	0.578	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	0.6	176.9	-55.6	-9.5	0	0	0	113.6	S371 S375 K397	S371-D373 PolarHBondContact O-N 3.23Å; D373-S375 PolarHBondContact O-N 2.82Å; D373-K397 IonicContact OD2-NZ 3.95Å; D373-K397 PolarHBondContact OD2-NZ 3Å
374	G	64.2	Low	78.1	Confident	59 Å²	59	65.5 Å²	65.5	61%	0.608	39%	0.387	S	S	*	.	S	Bend	trans	79.1	-7.7	-175.5	0	0	0	0	0	115.2	S371 P372 K376	S371-G374 PolarHBondContact O-N 3.46Å; P372-G374 PolarHBondContact O-N 2.75Å; G374-K376 PolarHBondContact O-N 3.37Å
375	S	70.6	Confident	77.9	Confident	53 Å²	53	68 Å²	68	37%	0.371	39%	0.392	S	S	.	.			trans	-67.6	126.6	176.1	54.7	0	0	0	0	111.7	S371 D373	S371-S375 WeakPolarHBondContact CB-O 3.35Å; S371-S375 WeakPolarHBondContact CB-OG 3.25Å; S371-S375 PolarHBondContact N-O 2.93Å; S371-S375 PolarHBondContact OG-O 3.28Å; S371-S375 PolarHBondContact OG-OG 2.87Å; D373-S375 PolarHBondContact O-N 2.82Å
376	K	73.9	Confident	77.6	Confident	144 Å²	144	70.9 Å²	70.9	63%	0.626	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	152	164.3	-68.2	-162	178.5	-164	0	110.1	D368 I369 G374	D368-K376 WeakPolarHBondContact OD1-CE 3.4Å; D368-K376 IonicContact OD1-NZ 3.69Å; D368-K376 PolarHBondContact OD1-NZ 3.48Å; I369-K376 WeakPolarHBondContact O-CA 3.44Å; G374-K376 PolarHBondContact O-N 3.37Å
377	V	76.1	Confident	77	Confident	21 Å²	21	69.1 Å²	69.1	13%	0.127	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.6	170.6	-178.9	0	0	0	0	107.8	I369 T394 P396	I369-V377 HydrophobicContact CG2-CB 3.88Å; I369-V377 WeakPolarHBondContact CG2-O 3.29Å; I369-V377 PolarHBondContact O-N 2.85Å; V377-T394 VanDerWaalsContact CG1-O 3.3Å; V377-T394 WeakPolarHBondContact CG1-O 3.42Å; V377-P396 HydrophobicContact CG2-CG 3.81Å
378	D	71.2	Confident	77	Confident	152 Å²	152	69.3 Å²	69.3	81%	0.813	39%	0.392	S	S	*	.			trans	-75.3	147.2	179.4	-58.9	-48.2	0	0	0	111.2
379	G	75.8	Confident	77.1	Confident	35 Å²	35	67 Å²	67	36%	0.361	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	149.8	176.5	0	0	0	0	0	111.8	L392	G379-L392 CarbonylContact C-O 3.57Å; G379-L392 WeakPolarHBondContact CA-O 3.45Å
380	E	82.1	Confident	77.2	Confident	144 Å²	144	70 Å²	70	67%	0.673	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	144.9	-172.8	-63.4	-179	166	0	0	110.7	Y391 L392	E380-Y391 CarbonylContact O-C 3.59Å; E380-Y391 WeakPolarHBondContact O-CA 3.33Å; E380-Y391 WeakPolarHBondContact O-CD2 3.21Å; E380-L392 PolarHBondContact N-O 3.14Å; E380-L392 PolarHBondContact O-N 3.48Å
381	I	85.6	Confident	77.4	Confident	64 Å²	64	68.1 Å²	68.1	33%	0.328	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119	172.7	-58.7	168.1	0	0	0	108.2	I365 A367 Y389 Y391	I365-I381 HydrophobicContact CB-CD1 4.2Å; I365-I381 HydrophobicContact CG2-CD1 3.88Å; I365-I381 WeakPolarHBondContact O-CD1 3.34Å; A367-I381 HydrophobicContact CB-CD1 4.05Å; A367-I381 HydrophobicContact CB-CG1 4.43Å; I381-Y389 HydrophobicContact CG2-CD1 4.38Å; I381-Y391 HydrophobicContact CG1-CD2 3.68Å; I381-Y391 HydrophobicContact CG1-CE2 4.35Å
382	L	83.7	Confident	77.8	Confident	91 Å²	91	70.2 Å²	70.2	48%	0.476	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.2	169.5	-79	161.4	0	0	0	109.8	Y389 E390 L392	L382-Y389 CarbonylContact O-C 3.58Å; L382-Y389 WeakPolarHBondContact O-CA 3.4Å; L382-Y389 WeakPolarHBondContact O-CB 3.37Å; L382-E390 HydrophobicContact CB-CB 4.46Å; L382-E390 PolarHBondContact N-O 2.73Å; L382-E390 PolarHBondContact O-N 3.02Å; L382-L392 HydrophobicContact CD1-CD1 4.19Å
383	D	83.1	Confident	78.6	Confident	46 Å²	46	65.8 Å²	65.8	25%	0.246	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.5	171.6	-178	0.5	0	0	0	109.8	G361 N362 Q385 Y389	G361-D383 VanDerWaalsContact CA-OD2 3.24Å; G361-D383 WeakPolarHBondContact CA-OD2 3.06Å; N362-D383 PolarHBondContact N-OD2 2.79Å; D383-Q385 PolarHBondContact O-N 2.86Å; D383-Q385 VanDerWaalsContact OD1-CA 3.32Å; D383-Q385 WeakPolarHBondContact OD1-CA 3.48Å; D383-Q385 PolarHBondContact OD1-N 2.87Å; D383-Y389 HydrophobicContact CB-CD1 3.66Å; D383-Y389 HydrophobicContact CB-CE1 3.69Å; D383-Y389 WeakPolarHBondContact OD1-CE1 3.37Å; D383-Y389 WeakPolarHBondContact OD2-CE1 3.44Å
384	N	80.8	Confident	79.4	Confident	65 Å²	65	63.4 Å²	63.4	35%	0.348	35%	0.35	S	S	.	.			trans	-82.6	7.7	177.1	-65.9	-36.6	0	0	0	112.8	N386 T388	N384-N386 WeakPolarHBondContact CB-OD1 3.38Å; N384-N386 PolarHBondContact O-N 3.15Å; N384-T388 WeakPolarHBondContact CB-O 3.42Å; N384-T388 PolarHBondContact N-O 2.84Å; N384-T388 PolarHBondContact ND2-OG1 2.88Å; N384-T388 VanDerWaalsContact ND2-OG1 3.15Å
385	Q	74.8	Confident	80.1	Confident	148 Å²	148	60.6 Å²	60.6	69%	0.692	32%	0.321	S	S	*	.	S	Bend	trans	60	9.7	179	-59.2	-174.6	-7.4	0	0	115.4	G361 D383	G361-Q385 PolarHBondContact N-O 2.83Å; D383-Q385 PolarHBondContact O-N 2.86Å; D383-Q385 VanDerWaalsContact OD1-CA 3.32Å; D383-Q385 WeakPolarHBondContact OD1-CA 3.48Å; D383-Q385 PolarHBondContact OD1-N 2.87Å
386	N	77.6	Confident	80.3	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.444	33%	0.327	S	S	.	.	S	Bend	trans	-121.9	13.9	-170.9	65.9	9.7	0	0	0	113.5	C358 N384 T388	C358-N386 VanDerWaalsContact O-O 3.13Å; N384-N386 WeakPolarHBondContact CB-OD1 3.38Å; N384-N386 PolarHBondContact O-N 3.15Å; N386-T388 WeakPolarHBondContact OD1-CB 3.48Å; N386-T388 PolarHBondContact OD1-N 2.95Å; N386-T388 PolarHBondContact OD1-OG1 3.06Å
387	G	72.2	Confident	80.4	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.021	32%	0.323	C	S	.	.	S	Bend	trans	85.5	3.1	-172.6	0	0	0	0	0	115	T350 M360	T350-G387 PolarHBondContact N-O 2.89Å; T350-G387 PolarHBondContact OG1-O 3.08Å; T350-G387 VanDerWaalsContact OG1-O 3.06Å; M360-G387 PolarHBondContact O-N 3.44Å
388	T	83.8	Confident	80.5	Confident	33 Å²	33	65.3 Å²	65.3	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.7	169.4	69.9	0	0	0	0	111.4	I348 T349 N384 N386	I348-T388 CarbonylContact O-C 3.45Å; I348-T388 WeakPolarHBondContact O-CA 3.3Å; T349-T388 HydrophobicContact CG2-CG2 4.37Å; N384-T388 WeakPolarHBondContact CB-O 3.42Å; N384-T388 PolarHBondContact N-O 2.84Å; N384-T388 PolarHBondContact ND2-OG1 2.88Å; N384-T388 VanDerWaalsContact ND2-OG1 3.15Å; N386-T388 WeakPolarHBondContact OD1-CB 3.48Å; N386-T388 PolarHBondContact OD1-N 2.95Å; N386-T388 PolarHBondContact OD1-OG1 3.06Å
389	Y	85.8	Confident	80.7	Confident	5 Å²	5	59.2 Å²	59.2	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	-178.5	-53	-106.5	0	0	0	108.4	T347 I348 T350 G361 N362 A363 I365 I381 L382 D383	T347-Y389 CarbonylContact C-O 3.56Å; T347-Y389 WeakPolarHBondContact CA-O 3.3Å; I348-Y389 PolarHBondContact N-O 2.87Å; I348-Y389 PolarHBondContact O-N 2.98Å; T350-Y389 HydrophobicContact CG2-CD2 4.16Å; T350-Y389 HydrophobicContact CG2-CE2 3.67Å; G361-Y389 VanDerWaalsContact C-OH 3.29Å; G361-Y389 WeakPolarHBondContact CA-OH 3.16Å; N362-Y389 PolarHBondContact N-OH 3.01Å; A363-Y389 HydrophobicContact CB-CE2 4.38Å; A363-Y389 WeakPolarHBondContact CB-OH 3.32Å; A363-Y389 PolarHBondContact N-OH 2.93Å; I365-Y389 HydrophobicContact CD1-CD1 3.81Å; I365-Y389 HydrophobicContact CD1-CD2 3.54Å; I365-Y389 HydrophobicContact CD1-CE1 4.18Å; I365-Y389 HydrophobicContact CD1-CE2 4Å; I365-Y389 HydrophobicContact CD1-CG 3.49Å; I365-Y389 VanDerWaalsContact CD1-CG 3.49Å; I381-Y389 HydrophobicContact CG2-CD1 4.38Å; L382-Y389 CarbonylContact O-C 3.58Å; L382-Y389 WeakPolarHBondContact O-CA 3.4Å; L382-Y389 WeakPolarHBondContact O-CB 3.37Å; D383-Y389 HydrophobicContact CB-CD1 3.66Å; D383-Y389 HydrophobicContact CB-CE1 3.69Å; D383-Y389 WeakPolarHBondContact OD1-CE1 3.37Å; D383-Y389 WeakPolarHBondContact OD2-CE1 3.44Å
390	E	85.4	Confident	80.9	Confident	67 Å²	67	63.9 Å²	63.9	31%	0.313	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.8	177.5	-68.1	-176	-171	0	0	109.6	L382 L392	L382-E390 HydrophobicContact CB-CB 4.46Å; L382-E390 PolarHBondContact N-O 2.73Å; L382-E390 PolarHBondContact O-N 3.02Å; E390-L392 HydrophobicContact CB-CD1 3.82Å
391	Y	87.1	Confident	80.9	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.7	172.1	-179.5	-116.9	0	0	0	109.7	A345 V346 A367 I369 E380 I381 F393 L403	A345-Y391 CarbonylContact C-O 3.55Å; A345-Y391 WeakPolarHBondContact CA-O 3.26Å; V346-Y391 PolarHBondContact N-O 3.04Å; V346-Y391 PolarHBondContact O-N 3.46Å; A367-Y391 HydrophobicContact CB-CD2 3.75Å; A367-Y391 HydrophobicContact CB-CE1 4.29Å; A367-Y391 HydrophobicContact CB-CE2 3.39Å; A367-Y391 HydrophobicContact CB-CG 4.32Å; I369-Y391 VanDerWaalsContact CG2-OH 3.27Å; I369-Y391 WeakPolarHBondContact CG2-OH 3.44Å; E380-Y391 CarbonylContact O-C 3.59Å; E380-Y391 WeakPolarHBondContact O-CA 3.33Å; E380-Y391 WeakPolarHBondContact O-CD2 3.21Å; I381-Y391 HydrophobicContact CG1-CD2 3.68Å; I381-Y391 HydrophobicContact CG1-CE2 4.35Å; Y391-F393 AromaticContact CD1-CD1 3.82Å; Y391-F393 HydrophobicContact CD1-CD1 3.82Å; Y391-F393 HydrophobicContact CE1-CB 3.93Å; Y391-F393 AromaticContact CE1-CD1 3.69Å; Y391-F393 HydrophobicContact CE1-CD1 3.69Å; Y391-F393 HydrophobicContact CE1-CG 4.07Å; Y391-L403 HydrophobicContact CD1-CD1 4.1Å; Y391-L403 HydrophobicContact CD1-CD2 4.28Å; Y391-L403 HydrophobicContact CE1-CD1 3.59Å; Y391-L403 HydrophobicContact CE1-CD2 4.39Å
392	L	85.4	Confident	80.9	Confident	56 Å²	56	56.3 Å²	56.3	29%	0.293	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.4	-179.6	-77.9	70.2	0	0	0	109.6	A345 G379 E380 L382 E390	A345-L392 HydrophobicContact CB-CD1 4.26Å; A345-L392 HydrophobicContact CB-CG 4.22Å; G379-L392 CarbonylContact C-O 3.57Å; G379-L392 WeakPolarHBondContact CA-O 3.45Å; E380-L392 PolarHBondContact N-O 3.14Å; E380-L392 PolarHBondContact O-N 3.48Å; L382-L392 HydrophobicContact CD1-CD1 4.19Å; E390-L392 HydrophobicContact CB-CD1 3.82Å
393	F	84.5	Confident	80.9	Confident	3 Å²	3	52 Å²	52	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.7	175.6	69.2	-82.1	0	0	0	110.9	T344 V346 I369 Y391 L401 I419	T344-F393 HydrophobicContact CG2-CE1 4.29Å; T344-F393 HydrophobicContact CG2-CZ 4.13Å; T344-F393 PolarHBondContact N-O 3.06Å; T344-F393 WeakPolarHBondContact O-CD1 3.28Å; T344-F393 PolarHBondContact O-N 3.33Å; T344-F393 VanDerWaalsContact O-N 3.08Å; V346-F393 HydrophobicContact CG2-CE1 3.91Å; I369-F393 HydrophobicContact CD1-CD2 3.54Å; I369-F393 HydrophobicContact CD1-CE2 3.76Å; I369-F393 HydrophobicContact CD1-CG 4.04Å; I369-F393 HydrophobicContact CD1-CZ 4.42Å; Y391-F393 AromaticContact CD1-CD1 3.82Å; Y391-F393 HydrophobicContact CD1-CD1 3.82Å; Y391-F393 HydrophobicContact CE1-CB 3.93Å; Y391-F393 AromaticContact CE1-CD1 3.69Å; Y391-F393 HydrophobicContact CE1-CD1 3.69Å; Y391-F393 HydrophobicContact CE1-CG 4.07Å; F393-L401 HydrophobicContact CE2-CD1 4.38Å; F393-I419 HydrophobicContact CE1-CD1 4.38Å; F393-I419 HydrophobicContact CE2-CD1 4.44Å; F393-I419 HydrophobicContact CZ-CD1 3.8Å
394	T	83.2	Confident	81	Confident	58 Å²	58	50.9 Å²	50.9	36%	0.356	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	177.6	-57.3	0	0	0	0	110.2	P343 V377 P396	P343-T394 WeakPolarHBondContact CA-OG1 3.44Å; V377-T394 VanDerWaalsContact CG1-O 3.3Å; V377-T394 WeakPolarHBondContact CG1-O 3.42Å; T394-P396 WeakPolarHBondContact O-CD 3.43Å
395	A	80.4	Confident	81.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.			trans	-71.3	120.4	179.8	0	0	0	0	0	111.4	V340 G341 L401 A421	V340-A395 WeakPolarHBondContact CA-O 3.43Å; G341-A395 PolarHBondContact N-O 3.27Å; A395-L401 HydrophobicContact CB-CD1 3.83Å; A395-A421 HydrophobicContact CB-CB 3.88Å
396	P	74.8	Confident	81.8	Confident	78 Å²	78	44.8 Å²	44.8	51%	0.506	23%	0.231	S	C	.	.			trans	-87.3	-18.1	-174.8	34.3	-36.5	0	0	0	114	V377 T394	V377-P396 HydrophobicContact CG2-CG 3.81Å; T394-P396 WeakPolarHBondContact O-CD 3.43Å
397	K	75	Confident	82.1	Confident	124 Å²	124	40.8 Å²	40.8	54%	0.539	21%	0.21	S	C	.	.	S	Bend	trans	-142.1	159.2	179.4	-65	-173.9	-175	179.4	0	110.1	D373 A421	D373-K397 IonicContact OD2-NZ 3.95Å; D373-K397 PolarHBondContact OD2-NZ 3Å; K397-A421 WeakPolarHBondContact O-CB 3.48Å
398	E	78.6	Confident	82.5	Confident	114 Å²	114	45.6 Å²	45.6	53%	0.533	23%	0.229	S	C	.	.	S	Bend	trans	-71.2	142.3	167.4	-174.6	160.7	-145.2	0	0	110.7	V340 I423	V340-E398 HydrophobicContact CG2-CB 4.1Å; E398-I423 HydrophobicContact CB-CD1 4.3Å; E398-I423 HydrophobicContact CB-CG1 4.25Å
399	G	75.6	Confident	82.1	Confident	24 Å²	24	50.6 Å²	50.6	25%	0.247	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-166	-178.2	0	0	0	0	0	114.3	A421	G399-A421 PolarHBondContact O-N 3.4Å
400	F	79.6	Confident	81.9	Confident	133 Å²	133	54.4 Å²	54.4	58%	0.583	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	112.2	176.3	-67.5	-79.1	0	0	0	110.7	P372 I419 K420	P372-F400 VanDerWaalsContact CD-O 3.3Å; P372-F400 WeakPolarHBondContact CD-O 3.46Å; P372-F400 VanDerWaalsContact CG-O 3.28Å; P372-F400 WeakPolarHBondContact CG-O 3.47Å; F400-I419 CarbonylContact C-O 3.51Å; F400-I419 WeakPolarHBondContact CA-O 3.43Å; F400-K420 HydrophobicContact CD1-CB 4.22Å; F400-K420 HydrophobicContact CD1-CG 4.41Å; F400-K420 HydrophobicContact CE1-CB 4.1Å; F400-K420 HydrophobicContact CE1-CD 4.3Å; F400-K420 HydrophobicContact CE1-CG 4.07Å
401	L	82.5	Confident	81.8	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144.4	174.2	-56.5	177	0	0	0	109.9	I369 S370 F393 A395 I419	I369-L401 HydrophobicContact CD1-CB 4.11Å; I369-L401 HydrophobicContact CD1-CD1 4.01Å; I369-L401 HydrophobicContact CG1-CB 4.21Å; S370-L401 WeakPolarHBondContact O-CA 3.35Å; F393-L401 HydrophobicContact CE2-CD1 4.38Å; A395-L401 HydrophobicContact CB-CD1 3.83Å; L401-I419 HydrophobicContact CB-CB 4.45Å; L401-I419 PolarHBondContact N-O 3.06Å; L401-I419 PolarHBondContact O-N 2.86Å
402	T	84.2	Confident	81.8	Confident	44 Å²	44	55 Å²	55	27%	0.27	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.8	175.3	-57.2	0	0	0	0	109.7	I369 S370 P416 F417	I369-T402 WeakPolarHBondContact CA-O 3.4Å; S370-T402 PolarHBondContact N-O 3.33Å; S370-T402 PolarHBondContact O-N 3.43Å; T402-P416 HydrophobicContact CG2-CB 3.85Å; T402-F417 CarbonylContact C-O 3.5Å; T402-F417 WeakPolarHBondContact CA-O 3.33Å
403	L	84.9	Confident	81.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.3	-179.5	173	59.8	0	0	0	110.4	L335 I369 Y391 L405 P416 F417 I419	L335-L403 HydrophobicContact CD2-CD2 4.42Å; I369-L403 HydrophobicContact CB-CD1 4.06Å; Y391-L403 HydrophobicContact CD1-CD1 4.1Å; Y391-L403 HydrophobicContact CD1-CD2 4.28Å; Y391-L403 HydrophobicContact CE1-CD1 3.59Å; Y391-L403 HydrophobicContact CE1-CD2 4.39Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 HydrophobicContact CD1-CG 4.01Å; L403-L405 HydrophobicContact CD2-CD1 4.06Å; L403-L405 HydrophobicContact CD2-CG 4.23Å; L403-L405 HydrophobicContact CG-CD1 4.3Å; L403-L405 HydrophobicContact CG-CD2 4.49Å; L403-L405 HydrophobicContact CG-CG 3.96Å; L403-P416 CarbonylContact O-C 3.59Å; L403-P416 WeakPolarHBondContact O-CA 3.41Å; L403-F417 HydrophobicContact CB-CB 4.44Å; L403-F417 PolarHBondContact N-O 2.86Å; L403-F417 PolarHBondContact O-N 2.84Å; L403-I419 HydrophobicContact CB-CD1 3.71Å; L403-I419 HydrophobicContact CD2-CD1 3.83Å; L403-I419 HydrophobicContact CG-CD1 4.41Å
404	S	85.4	Confident	81	Confident	23 Å²	23	61.5 Å²	61.5	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	99.1	174.1	-62.7	0	0	0	0	110	D368	D368-S404 PolarHBondContact N-O 3.19Å; D368-S404 WeakPolarHBondContact O-CA 3.47Å; D368-S404 WeakPolarHBondContact O-CB 3.39Å; D368-S404 PolarHBondContact O-N 3.44Å
405	L	85.9	Confident	81	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.3	170.7	-68.3	170.2	0	0	0	110.5	V330 I348 A367 L403 I412 S415 F417	V330-L405 HydrophobicContact CG1-CD1 3.92Å; V330-L405 HydrophobicContact CG2-CD1 3.84Å; I348-L405 HydrophobicContact CD1-CD1 3.95Å; I348-L405 HydrophobicContact CD1-CD2 3.82Å; I348-L405 HydrophobicContact CD1-CG 4.44Å; I348-L405 HydrophobicContact CG1-CD1 4.06Å; A367-L405 HydrophobicContact CB-CD2 3.52Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 HydrophobicContact CD1-CG 4.01Å; L403-L405 HydrophobicContact CD2-CD1 4.06Å; L403-L405 HydrophobicContact CD2-CG 4.23Å; L403-L405 HydrophobicContact CG-CD1 4.3Å; L403-L405 HydrophobicContact CG-CD2 4.49Å; L403-L405 HydrophobicContact CG-CG 3.96Å; L405-I412 HydrophobicContact CB-CD1 3.48Å; L405-I412 VanDerWaalsContact CB-CD1 3.48Å; L405-I412 HydrophobicContact CB-CG1 3.78Å; L405-I412 HydrophobicContact CD1-CD1 4.04Å; L405-I412 HydrophobicContact CG-CD1 4.38Å; L405-I412 PolarHBondContact O-N 2.75Å; L405-S415 PolarHBondContact N-OG 3.22Å; L405-S415 VanDerWaalsContact O-CB 3.3Å; L405-S415 WeakPolarHBondContact O-CB 3.49Å; L405-S415 PolarHBondContact O-OG 3.12Å; L405-F417 HydrophobicContact CD1-CE2 4.28Å
406	R	84.8	Confident	81.2	Confident	85 Å²	85	63.2 Å²	63.2	32%	0.321	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145	178.1	-68.2	174.3	177.2	157.7	-1.9	110.6	I365 A366 Q410 H411	I365-R406 CarbonylContact C-O 3.6Å; I365-R406 WeakPolarHBondContact CA-O 3.24Å; A366-R406 HydrophobicContact CB-CB 4.46Å; A366-R406 PolarHBondContact N-O 3.4Å; A366-R406 PolarHBondContact O-N 3.44Å; R406-Q410 CarbonylContact C-O 3.52Å; R406-Q410 WeakPolarHBondContact CA-O 3.34Å; R406-Q410 WeakPolarHBondContact CB-O 3.37Å; R406-H411 PolarHBondContact NE-CD2 3.02Å; R406-H411 PolarHBondContact NE-NE2 3.35Å; R406-H411 PolarHBondContact NH2-NE2 3.37Å
407	L	84.2	Confident	81.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	171.9	177.8	74.6	0	0	0	107.3	A323 A325 T350 A363 I365 N409 Q410 I412	A323-L407 HydrophobicContact CB-CD2 3.84Å; A325-L407 HydrophobicContact CB-CB 4.12Å; A325-L407 HydrophobicContact CB-CD2 4.42Å; T350-L407 HydrophobicContact CG2-CD1 4.45Å; A363-L407 HydrophobicContact CB-CD1 3.89Å; I365-L407 HydrophobicContact CD1-CD1 4.48Å; I365-L407 HydrophobicContact CG1-CD1 3.57Å; L407-N409 VanDerWaalsContact C-N 3.25Å; L407-N409 PolarHBondContact O-N 3.36Å; L407-Q410 PolarHBondContact N-O 2.91Å; L407-Q410 PolarHBondContact O-N 3.07Å; L407-I412 HydrophobicContact CB-CG2 3.53Å
408	Y	80.8	Confident	82	Confident	103 Å²	103	63.3 Å²	63.3	40%	0.404	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	48.7	-172.6	-58.4	-68.6	0	0	0	112.4	T321 V364 Q410	T321-Y408 PolarHBondContact OG1-OH 2.65Å; T321-Y408 VanDerWaalsContact OG1-OH 3.1Å; V364-Y408 HydrophobicContact CB-CD1 3.84Å; V364-Y408 HydrophobicContact CB-CE1 3.71Å; V364-Y408 HydrophobicContact CG2-CD1 4.25Å; V364-Y408 HydrophobicContact CG2-CE1 3.73Å; V364-Y408 PolarHBondContact O-N 3.22Å; Y408-Q410 PolarHBondContact O-N 2.94Å
409	N	76.4	Confident	82.2	Confident	138 Å²	138	57.9 Å²	57.9	74%	0.738	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-7	-173.2	-68.4	-28.7	0	0	0	117.5	L407	L407-N409 VanDerWaalsContact C-N 3.25Å; L407-N409 PolarHBondContact O-N 3.36Å
410	Q	81	Confident	82.5	Confident	85 Å²	85	61.1 Å²	61.1	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	140	176.8	-59.4	179.8	19.2	0	0	111.1	A325 R406 L407 Y408 I412	A325-Q410 HydrophobicContact CB-CB 3.72Å; R406-Q410 CarbonylContact C-O 3.52Å; R406-Q410 WeakPolarHBondContact CA-O 3.34Å; R406-Q410 WeakPolarHBondContact CB-O 3.37Å; L407-Q410 PolarHBondContact N-O 2.91Å; L407-Q410 PolarHBondContact O-N 3.07Å; Y408-Q410 PolarHBondContact O-N 2.94Å; Q410-I412 PolarHBondContact O-N 3.08Å
411	H	83.4	Confident	82.6	Confident	77 Å²	77	54.9 Å²	54.9	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.2	176.2	-83.1	-97.5	0	0	0	111.2	R406 S415	R406-H411 PolarHBondContact NE-CD2 3.02Å; R406-H411 PolarHBondContact NE-NE2 3.35Å; R406-H411 PolarHBondContact NH2-NE2 3.37Å; H411-S415 PolarHBondContact ND1-OG 3.02Å
412	I	86.2	Confident	82.4	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-80.2	165.5	178.9	67.7	179.2	0	0	0	112.6	A325 T328 V330 I348 L405 L407 Q410 G414 S415	A325-I412 HydrophobicContact CB-CG2 4.19Å; A325-I412 VanDerWaalsContact O-CA 3.26Å; A325-I412 WeakPolarHBondContact O-CA 3.31Å; T328-I412 HydrophobicContact CG2-CB 4.37Å; T328-I412 HydrophobicContact CG2-CD1 4.23Å; T328-I412 HydrophobicContact CG2-CG2 4.15Å; V330-I412 HydrophobicContact CG2-CD1 3.32Å; V330-I412 HydrophobicContact CG2-CG1 4.14Å; I348-I412 HydrophobicContact CG2-CD1 4.15Å; L405-I412 HydrophobicContact CB-CD1 3.48Å; L405-I412 VanDerWaalsContact CB-CD1 3.48Å; L405-I412 HydrophobicContact CB-CG1 3.78Å; L405-I412 HydrophobicContact CD1-CD1 4.04Å; L405-I412 HydrophobicContact CG-CD1 4.38Å; L405-I412 PolarHBondContact O-N 2.75Å; L407-I412 HydrophobicContact CB-CG2 3.53Å; Q410-I412 PolarHBondContact O-N 3.08Å; I412-G414 PolarHBondContact O-N 3.36Å; I412-S415 WeakPolarHBondContact O-CB 3.46Å; I412-S415 PolarHBondContact O-N 3.08Å
413	R	79.6	Confident	82	Confident	144 Å²	144	59.7 Å²	59.7	54%	0.543	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	112.1	-173.7	-160.7	176.4	-178.8	149.7	-0.1	113.3	A325 S326 E327 T328 F417	A325-R413 PolarHBondContact O-N 2.82Å; S326-R413 WeakPolarHBondContact O-CB 3.35Å; S326-R413 WeakPolarHBondContact O-CD 3.45Å; E327-R413 IonicContact OE1-NH1 3.6Å; E327-R413 IonicContact OE2-NH1 2.84Å; E327-R413 PolarHBondContact OE2-NH1 2.93Å; T328-R413 WeakPolarHBondContact O-CB 3.41Å; R413-F417 WeakPolarHBondContact O-CZ 3.43Å
414	G	74.6	Confident	80.6	Confident	53 Å²	53	67 Å²	67	55%	0.546	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-3	-179.4	0	0	0	0	0	115.5	I412 P416 F417	I412-G414 PolarHBondContact O-N 3.36Å; G414-P416 CarbonylContact O-C 3.56Å; G414-F417 VanDerWaalsContact C-CZ 3.49Å; G414-F417 WeakPolarHBondContact O-CD1 3.32Å; G414-F417 WeakPolarHBondContact O-CE1 3.48Å
415	S	83.1	Confident	78.2	Confident	19 Å²	19	71.2 Å²	71.2	13%	0.133	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.2	136.4	170.3	-175.2	0	0	0	0	110.4	L405 H411 I412	L405-S415 PolarHBondContact N-OG 3.22Å; L405-S415 VanDerWaalsContact O-CB 3.3Å; L405-S415 WeakPolarHBondContact O-CB 3.49Å; L405-S415 PolarHBondContact O-OG 3.12Å; H411-S415 PolarHBondContact ND1-OG 3.02Å; I412-S415 WeakPolarHBondContact O-CB 3.46Å; I412-S415 PolarHBondContact O-N 3.08Å
416	P	83.8	Confident	75.8	Confident	74 Å²	74	76.6 Å²	76.6	48%	0.481	40%	0.397	S	S	.	.	S	Bend	cis	-84	137.6	0.6	33.7	-34.9	0	0	0	113.8	T402 L403 G414	T402-P416 HydrophobicContact CG2-CB 3.85Å; L403-P416 CarbonylContact O-C 3.59Å; L403-P416 WeakPolarHBondContact O-CA 3.41Å; G414-P416 CarbonylContact O-C 3.56Å
417	F	84.1	Confident	74.3	Confident	36 Å²	36	78.6 Å²	78.6	16%	0.158	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	150.2	178.7	-57.9	-86.7	0	0	0	111.6	V330 L335 T402 L403 L405 R413 G414	V330-F417 HydrophobicContact CB-CE2 4.35Å; V330-F417 HydrophobicContact CB-CZ 4.04Å; V330-F417 HydrophobicContact CG2-CE2 3.77Å; V330-F417 HydrophobicContact CG2-CZ 3.7Å; L335-F417 HydrophobicContact CD2-CB 4.39Å; L335-F417 HydrophobicContact CD2-CD1 4.17Å; L335-F417 HydrophobicContact CD2-CD2 4.26Å; L335-F417 HydrophobicContact CD2-CG 4.02Å; T402-F417 CarbonylContact C-O 3.5Å; T402-F417 WeakPolarHBondContact CA-O 3.33Å; L403-F417 HydrophobicContact CB-CB 4.44Å; L403-F417 PolarHBondContact N-O 2.86Å; L403-F417 PolarHBondContact O-N 2.84Å; L405-F417 HydrophobicContact CD1-CE2 4.28Å; R413-F417 WeakPolarHBondContact O-CZ 3.43Å; G414-F417 VanDerWaalsContact C-CZ 3.49Å; G414-F417 WeakPolarHBondContact O-CD1 3.32Å; G414-F417 WeakPolarHBondContact O-CE1 3.48Å
418	K	82.4	Confident	71.6	Confident	169 Å²	169	86.3 Å²	86.3	74%	0.735	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.6	174.3	-65.5	-176.1	-179.4	-178.2	0	110.3
419	I	84.2	Confident	69.4	Low	0 Å²	0	87.6 Å²	87.6	0%	0	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.3	-173.6	-56.8	169.9	0	0	0	108.8	G334 C338 F393 F400 L401 L403	G334-I419 WeakPolarHBondContact O-CD1 3.28Å; G334-I419 WeakPolarHBondContact O-CG2 3.31Å; C338-I419 HydrophobicContact CB-CG2 4.33Å; F393-I419 HydrophobicContact CE1-CD1 4.38Å; F393-I419 HydrophobicContact CE2-CD1 4.44Å; F393-I419 HydrophobicContact CZ-CD1 3.8Å; F400-I419 CarbonylContact C-O 3.51Å; F400-I419 WeakPolarHBondContact CA-O 3.43Å; L401-I419 HydrophobicContact CB-CB 4.45Å; L401-I419 PolarHBondContact N-O 3.06Å; L401-I419 PolarHBondContact O-N 2.86Å; L403-I419 HydrophobicContact CB-CD1 3.71Å; L403-I419 HydrophobicContact CD2-CD1 3.83Å; L403-I419 HydrophobicContact CG-CD1 4.41Å
420	K	81.7	Confident	67	Low	92 Å²	92	88.9 Å²	88.9	40%	0.4	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.9	175.5	-172.5	-175.8	176.7	-171.5	0	111.2	R336 H337 C338 F400 T422	R336-K420 PolarHBondContact O-N 3.18Å; H337-K420 WeakPolarHBondContact CA-O 3.45Å; C338-K420 PolarHBondContact N-O 2.64Å; F400-K420 HydrophobicContact CD1-CB 4.22Å; F400-K420 HydrophobicContact CD1-CG 4.41Å; F400-K420 HydrophobicContact CE1-CB 4.1Å; F400-K420 HydrophobicContact CE1-CD 4.3Å; F400-K420 HydrophobicContact CE1-CG 4.07Å; K420-T422 HydrophobicContact CD-CG2 4.28Å; K420-T422 HydrophobicContact CG-CG2 4.27Å
421	A	80.9	Confident	64.6	Low	1 Å²	1	87.1 Å²	87.1	1%	0.008	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	141.7	168	0	0	0	0	0	110.6	C338 V340 A395 K397 G399	C338-A421 WeakPolarHBondContact O-CA 3.28Å; V340-A421 HydrophobicContact CG2-CB 4.08Å; A395-A421 HydrophobicContact CB-CB 3.88Å; K397-A421 WeakPolarHBondContact O-CB 3.48Å; G399-A421 PolarHBondContact O-N 3.4Å
422	T	79.7	Confident	62	Low	42 Å²	42	89.3 Å²	89.3	26%	0.258	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156	175.5	54	0	0	0	0	112.3	C338 V339 V340 K420	C338-T422 PolarHBondContact O-N 3.34Å; V339-T422 WeakPolarHBondContact CA-O 3.42Å; V340-T422 PolarHBondContact N-O 3.05Å; K420-T422 HydrophobicContact CD-CG2 4.28Å; K420-T422 HydrophobicContact CG-CG2 4.27Å
423	I	74.1	Confident	59.3	Low	108 Å²	108	97.5 Å²	97.5	55%	0.554	55%	0.547	S	S	*	.			trans	-94.3	137.6	177	-57.3	173.9	0	0	0	110.6	V340 E398	V340-I423 HydrophobicContact CB-CG1 4.15Å; V340-I423 HydrophobicContact CG2-CG1 3.91Å; E398-I423 HydrophobicContact CB-CD1 4.3Å; E398-I423 HydrophobicContact CB-CG1 4.25Å
424	H	57.3	Low	56.8	Low	154 Å²	154	99.5 Å²	99.5	71%	0.713	56%	0.56	S	S	*	*			trans	-75.3	128.1	175.1	-102.9	-50.4	0	0	0	112.2
425	S	34.5	Very low	54.4	Low	112 Å²	112	102.8 Å²	102.8	78%	0.783	57%	0.569	S	S	*	*			trans	-121.7	147.6	160	57.4	0	0	0	0	110.2
426	S	35.4	Very low	51.7	Low	113 Å²	113	108.4 Å²	108.4	79%	0.79	60%	0.597	S	S	*	*			trans	-92.4	154.7	180	45.8	0	0	0	0	111.8
427	P	51.9	Low	48.8	Very low	126 Å²	126	113.9 Å²	113.9	82%	0.818	61%	0.613	S	S	*	*			trans	-84.3	158.5	-163	33.7	-37.1	0	0	0	114
428	N	29.5	Very low	46.4	Very low	163 Å²	163	117.5 Å²	117.5	87%	0.872	64%	0.643	S	S	*	*			trans	-121.7	162.9	168.4	-124.4	-9.6	0	0	0	111.1
429	T	33.2	Very low	44.7	Very low	129 Å²	129	115.7 Å²	115.7	79%	0.791	65%	0.649	S	S	*	*			trans	-107	164	-154.4	50.3	0	0	0	0	116.8
430	D	27.1	Very low	41.8	Very low	165 Å²	165	119.4 Å²	119.4	88%	0.882	69%	0.687	S	S	*	*			trans	82.7	135.4	155.8	-133.9	25.7	0	0	0	117.7
431	G	29.3	Very low	39.8	Very low	49 Å²	49	121.3 Å²	121.3	51%	0.505	71%	0.712	S	S	.	*			cis	-178.2	159	-3.5	0	0	0	0	0	117.5
432	T	29.8	Very low	37.1	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	75%	0.746	S	S	*	*			trans	70.2	151.7	168.1	79.8	0	0	0	0	116.9
433	K	29.1	Very low	35	Very low	175 Å²	175	132.4 Å²	132.4	76%	0.761	78%	0.779	S	S	*	*			cis	-160.4	129.4	6.8	-128.9	153	-161	163.3	0	107.1
434	K	27	Very low	32.8	Very low	187 Å²	187	133.2 Å²	133.2	81%	0.813	79%	0.789	S	S	*	*				177.7	130.5	82.8	-96.1	168.8	179.9	174.5	0	111.4
435	T	24.7	Very low	31.9	Very low	121 Å²	121	135.9 Å²	135.9	74%	0.742	80%	0.799	S	S	*	*			trans	32.8	149.5	135.9	52.7	0	0	0	0	122.6
436	L	25.7	Very low	31.8	Very low	137 Å²	137	139.2 Å²	139.2	72%	0.717	80%	0.802	S	S	*	*			cis	-145.9	149.6	33	-85.5	90.1	0	0	0	115.6
437	K	23.2	Very low	31.4	Very low	189 Å²	189	143.3 Å²	143.3	82%	0.822	81%	0.805	S	S	*	*			trans	47.9	122	139.3	-62.4	-176.6	-177.1	177	0	123.1
438	S	34.1	Very low	30.2	Very low	113 Å²	113	142 Å²	142	79%	0.79	81%	0.805	S	S	*	*			trans	-95.4	-179.5	136.8	-47.2	0	0	0	0	109.5
439	P	45.8	Very low	30.2	Very low	131 Å²	131	142 Å²	142	85%	0.851	80%	0.803	S	S	*	*			cis	-126.5	178.6	-9.4	41.6	-27.1	0	0	0	113.8
440	G	23.5	Very low	30.2	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	81%	0.805	S	S	*	*			trans	-173.2	114.8	167.6	0	0	0	0	0	113.1
441	S	40.3	Very low	30.4	Very low	133 Å²	133	148.1 Å²	148.1	93%	0.93	81%	0.805	S	S	*	*			trans	-89.5	112.4	177.5	53	0	0	0	0	111.3
442	G	25	Very low	30.3	Very low	71 Å²	71	151.6 Å²	151.6	73%	0.732	82%	0.818	S	S	*	*			trans	-136.6	123	175.7	0	0	0	0	0	111.7	V444	G442-V444 PolarHBondContact O-N 3.32Å
443	H	34.5	Very low	30.2	Very low	204 Å²	204	149.8 Å²	149.8	94%	0.944	82%	0.816	S	S	*	*			trans	-74.6	114.8	176.5	-79.7	-73.6	0	0	0	111.4
444	V	27.3	Very low	30.3	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	81%	0.81	S	S	*	*			trans	-124.3	117.9	158.5	-178.7	0	0	0	0	108.8	G442 Q446	G442-V444 PolarHBondContact O-N 3.32Å; V444-Q446 PolarHBondContact O-N 3.11Å
445	K	39.4	Very low	30.7	Very low	210 Å²	210	145.1 Å²	145.1	91%	0.913	81%	0.812	S	S	*	*			trans	-75.4	108.2	173.6	-70.2	174.9	179	172.1	0	109.2
446	Q	32.4	Very low	31.2	Very low	181 Å²	181	150 Å²	150	85%	0.846	82%	0.818	S	S	*	*			trans	-99.2	134.4	154.2	-74.2	-169.3	-19.1	0	0	109.4	V444	V444-Q446 PolarHBondContact O-N 3.11Å
447	K	27.6	Very low	31.5	Very low	200 Å²	200	147.7 Å²	147.7	87%	0.87	81%	0.814	S	S	*	*			trans	-65	135.7	-177.4	-69.8	174	178.5	172.5	0	109.2	I449	K447-I449 PolarHBondContact O-N 3.2Å
448	A	26.7	Very low	31.9	Very low	99 Å²	99	144.3 Å²	144.3	82%	0.818	81%	0.809	S	S	*	*			trans	-58.4	109.9	160.1	0	0	0	0	0	108.1	K450	A448-K450 PolarHBondContact O-N 2.93Å; A448-K450 VanDerWaalsContact O-N 3.08Å
449	I	29.8	Very low	32	Very low	162 Å²	162	142.8 Å²	142.8	83%	0.831	81%	0.811	S	S	*	*			trans	-66.9	110.3	172.9	-64.2	177.2	0	0	0	106	K447 R451	K447-I449 PolarHBondContact O-N 3.2Å; I449-R451 PolarHBondContact O-N 3.22Å
450	K	32.4	Very low	31.5	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-53.9	132	169.2	-69.5	-176.9	176.9	-177.4	0	107.4	A448	A448-K450 PolarHBondContact O-N 2.93Å; A448-K450 VanDerWaalsContact O-N 3.08Å
451	R	30.2	Very low	32.2	Very low	232 Å²	232	154.1 Å²	154.1	88%	0.875	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-50.2	134.7	160.1	-71	178.7	175.7	165.1	-2.8	107.3	I449 A453	I449-R451 PolarHBondContact O-N 3.22Å; R451-A453 PolarHBondContact O-N 3.44Å
452	P	27.6	Very low	32.2	Very low	122 Å²	122	157.6 Å²	157.6	79%	0.792	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-56.9	139.8	173.1	25.4	-33.3	0	0	0	108.5
453	A	27.5	Very low	32.6	Very low	86 Å²	86	161.5 Å²	161.5	71%	0.711	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62.7	142.6	171.5	0	0	0	0	0	108.8	R451 M455	R451-A453 PolarHBondContact O-N 3.44Å; A453-M455 PolarHBondContact O-N 2.83Å; A453-M455 VanDerWaalsContact O-N 3.09Å
454	S	32.3	Very low	32.8	Very low	90 Å²	90	156.9 Å²	156.9	63%	0.629	79%	0.793	S	S	*	*			trans	-60.4	115	168.4	39.5	0	0	0	0	108.5	Y456 S457	S454-Y456 PolarHBondContact O-N 3.5Å; S454-S457 PolarHBondContact O-N 2.99Å
455	M	34.8	Very low	33.4	Very low	174 Å²	174	157.6 Å²	157.6	86%	0.857	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	3.8	-173.4	-88.2	-154	67.2	0	0	115.1	A453	A453-M455 PolarHBondContact O-N 2.83Å; A453-M455 VanDerWaalsContact O-N 3.09Å
456	Y	35.6	Very low	33.6	Very low	222 Å²	222	153.3 Å²	153.3	87%	0.871	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	42.4	164	-80.1	-82.6	0	0	0	112.5	S454	S454-Y456 PolarHBondContact O-N 3.5Å
457	S	30.7	Very low	34.1	Very low	89 Å²	89	153.5 Å²	153.5	62%	0.622	79%	0.787	S	S	*	*			trans	-105.2	72.2	152.7	-166.6	0	0	0	0	109.1	S454 G459	S454-S457 PolarHBondContact O-N 2.99Å; S457-G459 PolarHBondContact O-N 3.31Å
458	T	32.3	Very low	35.3	Very low	118 Å²	118	149.7 Å²	149.7	72%	0.724	78%	0.776	S	S	*	*			trans	-62.4	122.4	163.1	37.1	0	0	0	0	107.6	R460	T458-R460 PolarHBondContact O-N 2.73Å
459	G	36.4	Very low	36.8	Very low	81 Å²	81	152.1 Å²	152.1	84%	0.835	78%	0.775	S	S	*	*			trans	-72.3	63.4	-163.8	0	0	0	0	0	115.5	S457 R461	S457-G459 PolarHBondContact O-N 3.31Å; G459-R461 PolarHBondContact O-N 2.82Å
460	R	34.6	Very low	38.9	Very low	235 Å²	235	149.9 Å²	149.9	89%	0.887	76%	0.764	S	S	*	*			trans	-78.7	103.6	154.9	-69.3	-167.6	-178.8	-160.4	0.2	108	T458 K462	T458-R460 PolarHBondContact O-N 2.73Å; R460-K462 PolarHBondContact O-N 3.47Å
461	R	39.1	Very low	41	Very low	212 Å²	212	148.3 Å²	148.3	80%	0.8	76%	0.763	S	S	*	*			trans	-51.8	129.2	142.5	-70.9	176.8	174.3	168.4	-2.1	105.6	G459 E463	G459-R461 PolarHBondContact O-N 2.82Å; R461-E463 PolarHBondContact O-N 3.45Å
462	K	41	Very low	43.4	Very low	205 Å²	205	141.8 Å²	141.8	89%	0.891	74%	0.741	S	S	*	*			trans	-70	85.8	158.7	-95.6	-174.7	172.1	-179.2	0	105.9	R460 N464	R460-K462 PolarHBondContact O-N 3.47Å; K462-N464 PolarHBondContact O-N 3.44Å
463	E	32.6	Very low	46.2	Very low	154 Å²	154	145.3 Å²	145.3	72%	0.72	74%	0.739	S	S	*	*			trans	-58.9	125.8	153.2	-77.5	154.2	-177.9	0	0	105.9	R461	R461-E463 PolarHBondContact O-N 3.45Å
464	N	37.8	Very low	49	Very low	107 Å²	107	143.1 Å²	143.1	57%	0.572	72%	0.715	S	S	*	*			trans	-61.1	135.6	171.3	-70.9	-29.3	0	0	0	106.6	K462 I466	K462-N464 PolarHBondContact O-N 3.44Å; N464-I466 CarbonylContact O-C 3.44Å; N464-I466 PolarHBondContact O-N 3.47Å; N464-I466 VanDerWaalsContact O-O 3.11Å
465	P	40.5	Very low	51.6	Low	141 Å²	141	140.3 Å²	140.3	92%	0.916	70%	0.7	S	S	*	*	S	Bend	trans	-74.4	18.6	176.5	33.1	-36.8	0	0	0	112.7
466	I	42.9	Very low	54.2	Low	120 Å²	120	136.6 Å²	136.6	62%	0.615	69%	0.688	S	S	*	*	S	Bend	trans	-108.6	114.1	161.3	-58.3	171.4	0	0	0	103.5	N464 D468	N464-I466 CarbonylContact O-C 3.44Å; N464-I466 PolarHBondContact O-N 3.47Å; N464-I466 VanDerWaalsContact O-O 3.11Å; I466-D468 VanDerWaalsContact C-N 3.35Å; I466-D468 PolarHBondContact O-N 3.1Å
467	E	43.8	Very low	56.8	Low	185 Å²	185	135.5 Å²	135.5	86%	0.864	69%	0.687	S	S	*	*			trans	-66.5	101.6	164.5	-68.1	-174.4	130.1	0	0	106.6	D469	E467-D469 VanDerWaalsContact C-N 3.34Å; E467-D469 PolarHBondContact O-N 3.37Å
468	D	52.6	Low	59.7	Low	120 Å²	120	132 Å²	132	64%	0.642	67%	0.665	S	S	*	*			trans	-65.1	95.5	175.7	-79.1	-44.3	0	0	0	108.2	I466 L470	I466-D468 VanDerWaalsContact C-N 3.35Å; I466-D468 PolarHBondContact O-N 3.1Å; D468-L470 PolarHBondContact O-N 2.97Å
469	D	57.5	Low	62.3	Low	149 Å²	149	135 Å²	135	80%	0.797	66%	0.663	S	S	*	*			trans	-59.9	79.6	172.5	-89.6	-32.1	0	0	0	110.3	E467 I471	E467-D469 VanDerWaalsContact C-N 3.34Å; E467-D469 PolarHBondContact O-N 3.37Å; D469-I471 VanDerWaalsContact C-N 3.27Å; D469-I471 WeakPolarHBondContact O-CG1 3.48Å; D469-I471 PolarHBondContact O-N 3Å
470	L	75.6	Confident	64.8	Low	115 Å²	115	136 Å²	136	60%	0.602	65%	0.649	S	S	*	*			trans	-72.2	82.2	-176.5	179.8	62.1	0	0	0	109.9	D468 F472	D468-L470 PolarHBondContact O-N 2.97Å; L470-F472 PolarHBondContact O-N 2.93Å; L470-F472 VanDerWaalsContact O-N 3.11Å
471	I	75.8	Confident	67.4	Low	157 Å²	157	132.6 Å²	132.6	81%	0.805	64%	0.641	S	S	*	*			trans	-47.7	-45.7	-173.7	-41.4	-178.9	0	0	0	111.7	D469	D469-I471 VanDerWaalsContact C-N 3.27Å; D469-I471 WeakPolarHBondContact O-CG1 3.48Å; D469-I471 PolarHBondContact O-N 3Å
472	F	79.9	Confident	69.7	Low	95 Å²	95	123.1 Å²	123.1	42%	0.417	61%	0.609	S	S	.	*			trans	-166.2	174.9	169.4	61	-79.4	0	0	0	111.3	L470 I474 N513	L470-F472 PolarHBondContact O-N 2.93Å; L470-F472 VanDerWaalsContact O-N 3.11Å; F472-I474 HydrophobicContact CD2-CG1 4.03Å; F472-I474 HydrophobicContact CE2-CD1 3.94Å; F472-I474 HydrophobicContact CE2-CG1 3.62Å; F472-N513 WeakPolarHBondContact CE1-O 3.43Å; F472-N513 WeakPolarHBondContact CZ-O 3.49Å
473	R	86.4	Confident	72.1	Confident	197 Å²	197	115.5 Å²	115.5	74%	0.743	58%	0.577	S	S	*	*			trans	-128.5	130.8	175.5	180	-179.6	-65.3	171.1	2.1	110.8
474	I	87.4	Confident	75	Confident	39 Å²	39	108.9 Å²	108.9	20%	0.2	55%	0.545	C	S	.	.			trans	-92.6	120.4	174.9	-51.7	-176.7	0	0	0	110.8	F472 F484 V498 I500 F511	F472-I474 HydrophobicContact CD2-CG1 4.03Å; F472-I474 HydrophobicContact CE2-CD1 3.94Å; F472-I474 HydrophobicContact CE2-CG1 3.62Å; I474-F484 HydrophobicContact CG2-CE2 4.29Å; I474-F484 HydrophobicContact CG2-CZ 4.44Å; I474-V498 HydrophobicContact CD1-CG1 4.34Å; I474-I500 HydrophobicContact CD1-CD1 4.35Å; I474-I500 HydrophobicContact CG2-CD1 4.35Å; I474-F511 HydrophobicContact CD1-CB 4.3Å; I474-F511 HydrophobicContact CD1-CG 4.4Å; I474-F511 HydrophobicContact CG2-CD1 3.47Å; I474-F511 VanDerWaalsContact CG2-CD1 3.47Å; I474-F511 HydrophobicContact CG2-CD2 4.17Å; I474-F511 HydrophobicContact CG2-CE1 3.45Å; I474-F511 VanDerWaalsContact CG2-CE1 3.45Å; I474-F511 HydrophobicContact CG2-CE2 4.16Å; I474-F511 HydrophobicContact CG2-CG 3.86Å; I474-F511 HydrophobicContact CG2-CZ 3.83Å
475	G	85.9	Confident	77.6	Confident	31 Å²	31	106.5 Å²	106.5	32%	0.32	54%	0.535	S	S	.	.			trans	78.7	176.2	160.9	0	0	0	0	0	117.3	G482	G475-G482 WeakPolarHBondContact CA-O 3.14Å
476	T	89.3	Confident	80	Confident	97 Å²	97	101.9 Å²	101.9	60%	0.595	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	175	-175	63.9	0	0	0	0	111.5	G478 G482 E483 F484	T476-G478 PolarHBondContact O-N 2.9Å; T476-G482 PolarHBondContact N-O 3.44Å; T476-E483 CarbonylContact O-C 3.56Å; T476-E483 VanDerWaalsContact O-CA 3.32Å; T476-E483 WeakPolarHBondContact O-CA 3.37Å; T476-F484 PolarHBondContact O-N 2.85Å
477	K	90.9	Very high	82.4	Confident	198 Å²	198	100.3 Å²	100.3	86%	0.861	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.6	-178.2	-177.8	180	177.3	179.3	0	111.7	F484	K477-F484 CarbonylContact C-O 3.58Å; K477-F484 WeakPolarHBondContact CA-O 3.48Å
478	G	90.8	Very high	84.7	Confident	15 Å²	15	94.3 Å²	94.3	16%	0.155	47%	0.467	C	S	.	.	S	Bend	trans	168.9	-155	177.4	0	0	0	0	0	115	T476 E483 F484 T485 N505	T476-G478 PolarHBondContact O-N 2.9Å; G478-E483 VanDerWaalsContact C-CB 3.49Å; G478-E483 VanDerWaalsContact C-OE2 3.27Å; G478-E483 VanDerWaalsContact CA-OE2 3.23Å; G478-E483 WeakPolarHBondContact CA-OE2 3.34Å; G478-F484 PolarHBondContact N-O 3.4Å; G478-F484 CarbonylContact O-C 3.59Å; G478-F484 PolarHBondContact O-N 2.87Å; G478-T485 WeakPolarHBondContact O-CG2 3.19Å; G478-N505 PolarHBondContact O-ND2 2.94Å
479	R	88.3	Confident	86.6	Confident	183 Å²	183	89 Å²	89	69%	0.691	44%	0.441	S	S	*	.	S	Bend	trans	-127.8	-5.9	-172.7	-59.7	-160.8	173.1	160.9	-0.5	115.4	E483 T485 N505 R520	R479-E483 PolarHBondContact N-OE2 2.71Å; R479-T485 HydrophobicContact CG-CG2 4.17Å; R479-N505 WeakPolarHBondContact CA-OD1 3.26Å; R479-N505 WeakPolarHBondContact CB-OD1 3.19Å; R479-N505 VanDerWaalsContact CG-OD1 3.25Å; R479-N505 WeakPolarHBondContact CG-OD1 3.49Å; R479-R520 PolarHBondContact O-NH1 3.06Å; R479-R520 PolarHBondContact O-NH2 2.76Å
480	N	88.7	Confident	88.4	Confident	102 Å²	102	86.8 Å²	86.8	55%	0.545	43%	0.432	S	S	.	.	S	Bend	trans	-83.2	-163.1	-177.7	-54.6	-51.1	0	0	0	112.4	E483 R520	N480-E483 VanDerWaalsContact CB-CD 3.45Å; N480-E483 HydrophobicContact CB-CG 4.14Å; N480-E483 WeakPolarHBondContact CB-OE1 3.49Å; N480-E483 WeakPolarHBondContact CB-OE2 3.49Å; N480-E483 PolarHBondContact N-OE2 2.84Å; N480-E483 VanDerWaalsContact ND2-CD 3.26Å; N480-E483 PolarHBondContact ND2-OE1 2.78Å; N480-E483 PolarHBondContact ND2-OE2 3.3Å; N480-R520 PolarHBondContact O-NH1 3.43Å
481	K	88.8	Confident	89.2	Confident	162 Å²	162	82 Å²	82	70%	0.704	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	128.1	174.8	-63.6	173.7	-179	176.4	0	109.2	E483 F517	K481-E483 PolarHBondContact O-N 2.89Å; K481-F517 HydrophobicContact CB-CD1 4.18Å; K481-F517 HydrophobicContact CB-CD2 4.29Å; K481-F517 HydrophobicContact CB-CE1 3.89Å; K481-F517 HydrophobicContact CB-CE2 3.99Å; K481-F517 HydrophobicContact CB-CG 4.38Å; K481-F517 HydrophobicContact CB-CZ 3.77Å; K481-F517 HydrophobicContact CD-CE1 3.84Å; K481-F517 HydrophobicContact CD-CZ 4.16Å; K481-F517 HydrophobicContact CG-CE1 3.96Å; K481-F517 HydrophobicContact CG-CE2 4.42Å; K481-F517 HydrophobicContact CG-CZ 3.79Å
482	G	87.1	Confident	89.9	Confident	13 Å²	13	78.4 Å²	78.4	13%	0.134	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	5.6	-175.6	0	0	0	0	0	114.6	G475 T476	G475-G482 WeakPolarHBondContact CA-O 3.14Å; T476-G482 PolarHBondContact N-O 3.44Å
483	E	92.3	Very high	90.2	Very high	45 Å²	45	74.7 Å²	74.7	21%	0.21	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	151.7	174.9	-62.9	176.4	-169	0	0	111.1	T476 G478 R479 N480 K481 Q509	T476-E483 CarbonylContact O-C 3.56Å; T476-E483 VanDerWaalsContact O-CA 3.32Å; T476-E483 WeakPolarHBondContact O-CA 3.37Å; G478-E483 VanDerWaalsContact C-CB 3.49Å; G478-E483 VanDerWaalsContact C-OE2 3.27Å; G478-E483 VanDerWaalsContact CA-OE2 3.23Å; G478-E483 WeakPolarHBondContact CA-OE2 3.34Å; R479-E483 PolarHBondContact N-OE2 2.71Å; N480-E483 VanDerWaalsContact CB-CD 3.45Å; N480-E483 HydrophobicContact CB-CG 4.14Å; N480-E483 WeakPolarHBondContact CB-OE1 3.49Å; N480-E483 WeakPolarHBondContact CB-OE2 3.49Å; N480-E483 PolarHBondContact N-OE2 2.84Å; N480-E483 VanDerWaalsContact ND2-CD 3.26Å; N480-E483 PolarHBondContact ND2-OE1 2.78Å; N480-E483 PolarHBondContact ND2-OE2 3.3Å; K481-E483 PolarHBondContact O-N 2.89Å; E483-Q509 PolarHBondContact O-NE2 3.31Å
484	F	93.4	Very high	90	Very high	15 Å²	15	71.5 Å²	71.5	7%	0.066	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.2	-175.7	-54.4	-65.6	0	0	0	113.5	I474 T476 K477 G478 L487 I500 D502 Q509 F511	I474-F484 HydrophobicContact CG2-CE2 4.29Å; I474-F484 HydrophobicContact CG2-CZ 4.44Å; T476-F484 PolarHBondContact O-N 2.85Å; K477-F484 CarbonylContact C-O 3.58Å; K477-F484 WeakPolarHBondContact CA-O 3.48Å; G478-F484 PolarHBondContact N-O 3.4Å; G478-F484 CarbonylContact O-C 3.59Å; G478-F484 PolarHBondContact O-N 2.87Å; F484-L487 HydrophobicContact CB-CD1 4.49Å; F484-L487 HydrophobicContact CB-CD2 3.72Å; F484-L487 HydrophobicContact CB-CG 4.01Å; F484-L487 HydrophobicContact CD1-CD2 3.4Å; F484-L487 VanDerWaalsContact CD1-CD2 3.4Å; F484-L487 HydrophobicContact CD1-CG 4.49Å; F484-L487 HydrophobicContact CD2-CD1 4.14Å; F484-L487 HydrophobicContact CD2-CD2 4.06Å; F484-L487 HydrophobicContact CD2-CG 4.45Å; F484-L487 HydrophobicContact CE1-CD2 3.9Å; F484-L487 HydrophobicContact CE2-CD2 4.49Å; F484-L487 HydrophobicContact CG-CD1 4.3Å; F484-L487 HydrophobicContact CG-CD2 3.47Å; F484-L487 VanDerWaalsContact CG-CD2 3.47Å; F484-L487 HydrophobicContact CG-CG 4.11Å; F484-L487 HydrophobicContact CZ-CD2 4.4Å; F484-I500 HydrophobicContact CD1-CG2 4.34Å; F484-I500 HydrophobicContact CE1-CB 4.22Å; F484-I500 HydrophobicContact CE1-CG2 3.67Å; F484-I500 HydrophobicContact CE2-CD1 4.48Å; F484-I500 HydrophobicContact CZ-CB 4.29Å; F484-I500 HydrophobicContact CZ-CD1 3.85Å; F484-I500 HydrophobicContact CZ-CG2 3.89Å; F484-D502 WeakPolarHBondContact CA-OD2 3.29Å; F484-D502 HydrophobicContact CD1-CB 4.44Å; F484-Q509 HydrophobicContact CE1-CB 4.27Å; F484-Q509 HydrophobicContact CE1-CG 4.49Å; F484-Q509 VanDerWaalsContact CE1-NE2 3.33Å; F484-F511 HydrophobicContact CE1-CE2 4.14Å; F484-F511 HydrophobicContact CE1-CZ 4.11Å; F484-F511 HydrophobicContact CE2-CZ 4.32Å; F484-F511 AromaticContact CZ-CE2 3.6Å; F484-F511 HydrophobicContact CZ-CE2 3.6Å; F484-F511 AromaticContact CZ-CZ 3.47Å; F484-F511 HydrophobicContact CZ-CZ 3.47Å; F484-F511 VanDerWaalsContact CZ-CZ 3.47Å
485	T	91.4	Very high	89.7	Confident	57 Å²	57	75 Å²	75	35%	0.35	41%	0.412	S	S	.	.	S	Bend	trans	-123.8	-30.9	173.2	48.8	0	0	0	0	114.7	G478 R479 D502 N504 N505	G478-T485 WeakPolarHBondContact O-CG2 3.19Å; R479-T485 HydrophobicContact CG-CG2 4.17Å; T485-D502 PolarHBondContact N-OD2 3.29Å; T485-D502 PolarHBondContact OG1-OD1 2.91Å; T485-N504 WeakPolarHBondContact OG1-CB 3.34Å; T485-N505 PolarHBondContact N-ND2 3.46Å; T485-N505 VanDerWaalsContact OG1-CG 3.31Å; T485-N505 PolarHBondContact OG1-N 2.86Å; T485-N505 PolarHBondContact OG1-ND2 3.42Å
486	N	91	Very high	89.6	Confident	44 Å²	44	74.7 Å²	74.7	24%	0.235	41%	0.409	C	S	.	.			trans	-151.7	86.5	174.1	-177.9	10.3	0	0	0	111.3	Q488 D502 S503 N504	N486-Q488 PolarHBondContact OD1-NE2 3.04Å; N486-D502 PolarHBondContact N-OD1 2.85Å; N486-D502 CarbonylContact O-C 3.03Å; N486-D502 WeakPolarHBondContact O-CA 3.19Å; N486-S503 PolarHBondContact O-N 2.64Å; N486-N504 HydrophobicContact CB-CB 3.58Å; N486-N504 WeakPolarHBondContact CB-OD1 3.48Å; N486-N504 PolarHBondContact ND2-OD1 3.22Å
487	L	92.9	Very high	89.6	Confident	87 Å²	87	73 Å²	73	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.3	172.6	-62	-173.7	0	0	0	110.5	F484 I500	F484-L487 HydrophobicContact CB-CD1 4.49Å; F484-L487 HydrophobicContact CB-CD2 3.72Å; F484-L487 HydrophobicContact CB-CG 4.01Å; F484-L487 HydrophobicContact CD1-CD2 3.4Å; F484-L487 VanDerWaalsContact CD1-CD2 3.4Å; F484-L487 HydrophobicContact CD1-CG 4.49Å; F484-L487 HydrophobicContact CD2-CD1 4.14Å; F484-L487 HydrophobicContact CD2-CD2 4.06Å; F484-L487 HydrophobicContact CD2-CG 4.45Å; F484-L487 HydrophobicContact CE1-CD2 3.9Å; F484-L487 HydrophobicContact CE2-CD2 4.49Å; F484-L487 HydrophobicContact CG-CD1 4.3Å; F484-L487 HydrophobicContact CG-CD2 3.47Å; F484-L487 VanDerWaalsContact CG-CD2 3.47Å; F484-L487 HydrophobicContact CG-CG 4.11Å; F484-L487 HydrophobicContact CZ-CD2 4.4Å; L487-I500 HydrophobicContact CD2-CG2 3.3Å; L487-I500 HydrophobicContact CG-CG2 4.46Å
488	Q	92.6	Very high	89.7	Confident	60 Å²	60	64.8 Å²	64.8	28%	0.28	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	-40.8	177.5	-70.5	-70.3	-72.5	0	0	112.9	N486 A501 S503 T535 F625	N486-Q488 PolarHBondContact OD1-NE2 3.04Å; Q488-A501 PolarHBondContact N-O 2.75Å; Q488-A501 VanDerWaalsContact N-O 3.14Å; Q488-S503 WeakPolarHBondContact CG-OG 3.1Å; Q488-T535 CarbonylContact C-O 3.4Å; Q488-T535 HydrophobicContact CB-CG2 4.42Å; Q488-T535 HydrophobicContact CG-CG2 4.31Å; Q488-F625 WeakPolarHBondContact O-CZ 3.36Å
489	G	92.4	Very high	89.9	Confident	9 Å²	9	64.3 Å²	64.3	9%	0.093	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.1	-176.3	0	0	0	0	0	112.4	A501 T535	G489-A501 PolarHBondContact O-N 3.3Å; G489-T535 VanDerWaalsContact CA-O 3.31Å; G489-T535 WeakPolarHBondContact CA-O 3.36Å; G489-T535 PolarHBondContact N-O 3.06Å; G489-T535 VanDerWaalsContact N-O 3.11Å
490	V	94.6	Very high	90.2	Very high	101 Å²	101	56.3 Å²	56.3	61%	0.612	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	143	177.4	59.5	0	0	0	0	109.4	V498 L499 I500	V490-V498 HydrophobicContact CG2-CG1 3.9Å; V490-L499 CarbonylContact C-O 3.54Å; V490-L499 VanDerWaalsContact CA-O 3.29Å; V490-L499 WeakPolarHBondContact CA-O 3.3Å; V490-I500 HydrophobicContact CG2-CG1 4.12Å
491	A	93.9	Very high	90.5	Very high	16 Å²	16	51.4 Å²	51.4	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.4	172.1	0	0	0	0	0	110.7	L499 V537 V539	A491-L499 PolarHBondContact N-O 3.4Å; A491-L499 PolarHBondContact O-N 3Å; A491-V537 HydrophobicContact CB-CG1 4.18Å; A491-V537 WeakPolarHBondContact CB-O 3.05Å; A491-V539 HydrophobicContact CB-CG2 4.46Å
492	A	89.9	Confident	90.8	Very high	81 Å²	81	43.7 Å²	43.7	67%	0.669	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.6	169.7	0	0	0	0	0	110.1	K497	A492-K497 CarbonylContact C-O 3.52Å; A492-K497 WeakPolarHBondContact CA-O 3.36Å
493	S	86.9	Confident	91.1	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	144.4	168.4	-178.8	0	0	0	0	109.9	Q495 G496 K497	S493-Q495 PolarHBondContact O-N 2.94Å; S493-Q495 PolarHBondContact OG-N 2.89Å; S493-G496 PolarHBondContact O-N 2.93Å; S493-K497 PolarHBondContact N-O 2.92Å
494	S	80.8	Confident	91	Very high	129 Å²	129	45.6 Å²	45.6	90%	0.902	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.4	167.7	50.7	0	0	0	0	113.6	G496	S494-G496 PolarHBondContact O-N 2.64Å
495	Q	81.9	Confident	90.9	Very high	114 Å²	114	45.8 Å²	45.8	53%	0.533	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	16.5	173.5	-59.3	-178	-5.2	0	0	114.2	S493 K497	S493-Q495 PolarHBondContact O-N 2.94Å; S493-Q495 PolarHBondContact OG-N 2.89Å; Q495-K497 HydrophobicContact CB-CD 4.36Å; Q495-K497 PolarHBondContact O-N 2.96Å
496	G	83.3	Confident	91	Very high	23 Å²	23	43.9 Å²	43.9	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	33.1	178.2	0	0	0	0	0	114.4	S493 S494 S512 N513	S493-G496 PolarHBondContact O-N 2.93Å; S494-G496 PolarHBondContact O-N 2.64Å; G496-S512 WeakPolarHBondContact O-CA 3.27Å; G496-N513 VanDerWaalsContact CA-OD1 3.28Å; G496-N513 WeakPolarHBondContact CA-OD1 3.46Å; G496-N513 PolarHBondContact O-N 3.45Å; G496-N513 PolarHBondContact O-OD1 3.21Å
497	K	89.6	Confident	91.2	Very high	61 Å²	61	41.9 Å²	41.9	27%	0.265	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.4	179.3	-62.1	166.4	-177.2	165.6	0	110	A492 S493 Q495 L499 I510 F511	A492-K497 CarbonylContact C-O 3.52Å; A492-K497 WeakPolarHBondContact CA-O 3.36Å; S493-K497 PolarHBondContact N-O 2.92Å; Q495-K497 HydrophobicContact CB-CD 4.36Å; Q495-K497 PolarHBondContact O-N 2.96Å; K497-L499 HydrophobicContact CB-CD1 4.18Å; K497-I510 HydrophobicContact CB-CG2 3.95Å; K497-I510 HydrophobicContact CD-CG2 4.49Å; K497-I510 HydrophobicContact CG-CG2 4.27Å; K497-F511 CarbonylContact C-O 3.49Å; K497-F511 WeakPolarHBondContact CA-O 3.08Å
498	V	92.9	Very high	91.3	Very high	27 Å²	27	37.8 Å²	37.8	16%	0.164	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.8	171.5	-178.2	0	0	0	0	108.5	I474 V490 I500 I510 F511	I474-V498 HydrophobicContact CD1-CG1 4.34Å; V490-V498 HydrophobicContact CG2-CG1 3.9Å; V498-I500 HydrophobicContact CG1-CD1 4.24Å; V498-I500 HydrophobicContact CG1-CG1 4.11Å; V498-I510 CarbonylContact O-C 3.55Å; V498-I510 WeakPolarHBondContact O-CA 3.35Å; V498-F511 HydrophobicContact CB-CB 4.47Å; V498-F511 PolarHBondContact N-O 3.27Å; V498-F511 PolarHBondContact O-N 2.96Å
499	L	94.8	Very high	91.4	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.5	-178.1	-61.8	87.7	0	0	0	109.4	V490 A491 K497 V508 I510 V537 V539 I545	V490-L499 CarbonylContact C-O 3.54Å; V490-L499 VanDerWaalsContact CA-O 3.29Å; V490-L499 WeakPolarHBondContact CA-O 3.3Å; A491-L499 PolarHBondContact N-O 3.4Å; A491-L499 PolarHBondContact O-N 3Å; K497-L499 HydrophobicContact CB-CD1 4.18Å; L499-V508 HydrophobicContact CB-CG1 4.33Å; L499-I510 HydrophobicContact CD2-CD1 4.25Å; L499-I510 HydrophobicContact CD2-CG1 4.36Å; L499-I510 HydrophobicContact CG-CD1 4.5Å; L499-I510 HydrophobicContact CG-CG1 4.21Å; L499-I510 HydrophobicContact CG-CG2 4.42Å; L499-V537 HydrophobicContact CB-CG2 4.13Å; L499-V537 HydrophobicContact CD2-CG2 4.46Å; L499-V539 HydrophobicContact CD1-CG2 3.66Å; L499-V539 HydrophobicContact CD2-CG2 4.16Å; L499-I545 HydrophobicContact CD2-CB 4.27Å; L499-I545 HydrophobicContact CD2-CD1 3.62Å; L499-I545 HydrophobicContact CD2-CG1 3.69Å; L499-I545 HydrophobicContact CD2-CG2 3.59Å
500	I	95.3	Very high	91.5	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.8	-172.5	-62.1	178	0	0	0	109.6	I474 F484 L487 V490 V498 V508 Q509 F511	I474-I500 HydrophobicContact CD1-CD1 4.35Å; I474-I500 HydrophobicContact CG2-CD1 4.35Å; F484-I500 HydrophobicContact CD1-CG2 4.34Å; F484-I500 HydrophobicContact CE1-CB 4.22Å; F484-I500 HydrophobicContact CE1-CG2 3.67Å; F484-I500 HydrophobicContact CE2-CD1 4.48Å; F484-I500 HydrophobicContact CZ-CB 4.29Å; F484-I500 HydrophobicContact CZ-CD1 3.85Å; F484-I500 HydrophobicContact CZ-CG2 3.89Å; L487-I500 HydrophobicContact CD2-CG2 3.3Å; L487-I500 HydrophobicContact CG-CG2 4.46Å; V490-I500 HydrophobicContact CG2-CG1 4.12Å; V498-I500 HydrophobicContact CG1-CD1 4.24Å; V498-I500 HydrophobicContact CG1-CG1 4.11Å; I500-V508 WeakPolarHBondContact O-CA 3.31Å; I500-Q509 PolarHBondContact N-O 3.4Å; I500-Q509 PolarHBondContact O-N 2.94Å; I500-F511 HydrophobicContact CB-CE2 4.44Å; I500-F511 HydrophobicContact CD1-CD2 3.93Å; I500-F511 HydrophobicContact CD1-CE2 3.92Å; I500-F511 HydrophobicContact CG1-CD2 4.4Å; I500-F511 HydrophobicContact CG1-CE2 4.43Å
501	A	95.4	Very high	91.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119	177.9	0	0	0	0	0	111.4	Q488 G489 V508 T535 V537	Q488-A501 PolarHBondContact N-O 2.75Å; Q488-A501 VanDerWaalsContact N-O 3.14Å; G489-A501 PolarHBondContact O-N 3.3Å; A501-V508 HydrophobicContact CB-CG2 4.18Å; A501-T535 WeakPolarHBondContact CB-O 3.35Å; A501-V537 HydrophobicContact CB-CB 4.3Å; A501-V537 HydrophobicContact CB-CG1 4.14Å
502	D	94.4	Very high	91.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.8	173.7	-171.1	-31.5	0	0	0	110.4	F484 T485 N486 N504 N505 Q506 C507 P534	F484-D502 WeakPolarHBondContact CA-OD2 3.29Å; F484-D502 HydrophobicContact CD1-CB 4.44Å; T485-D502 PolarHBondContact N-OD2 3.29Å; T485-D502 PolarHBondContact OG1-OD1 2.91Å; N486-D502 PolarHBondContact N-OD1 2.85Å; N486-D502 CarbonylContact O-C 3.03Å; N486-D502 WeakPolarHBondContact O-CA 3.19Å; D502-N504 VanDerWaalsContact C-N 3.32Å; D502-N504 PolarHBondContact O-N 3.12Å; D502-N504 PolarHBondContact OD1-N 3.38Å; D502-N505 HydrophobicContact CB-CB 4.1Å; D502-N505 PolarHBondContact OD1-N 3.01Å; D502-N505 PolarHBondContact OD2-ND2 3.08Å; D502-Q506 WeakPolarHBondContact O-CA 3.17Å; D502-Q506 PolarHBondContact O-N 2.94Å; D502-C507 PolarHBondContact N-O 2.94Å; D502-C507 PolarHBondContact O-N 3.34Å; D502-P534 WeakPolarHBondContact O-CG 3.45Å
503	S	93.5	Very high	91.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.5	-178.9	-106.7	0	0	0	0	113.4	N486 Q488 R533 P534	N486-S503 PolarHBondContact O-N 2.64Å; Q488-S503 WeakPolarHBondContact CG-OG 3.1Å; S503-R533 WeakPolarHBondContact OG-CG 3.35Å; S503-P534 WeakPolarHBondContact CA-O 3.37Å; S503-P534 WeakPolarHBondContact CB-O 3.42Å; S503-P534 PolarHBondContact OG-O 2.64Å
504	N	90.8	Very high	91	Very high	95 Å²	95	34.3 Å²	34.3	51%	0.508	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-29.4	-173.1	-76.9	17.6	0	0	0	112.3	T485 N486 D502 Q506	T485-N504 WeakPolarHBondContact OG1-CB 3.34Å; N486-N504 HydrophobicContact CB-CB 3.58Å; N486-N504 WeakPolarHBondContact CB-OD1 3.48Å; N486-N504 PolarHBondContact ND2-OD1 3.22Å; D502-N504 VanDerWaalsContact C-N 3.32Å; D502-N504 PolarHBondContact O-N 3.12Å; D502-N504 PolarHBondContact OD1-N 3.38Å; N504-Q506 VanDerWaalsContact C-N 3.28Å
505	N	91.4	Very high	91.2	Very high	19 Å²	19	29 Å²	29	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4	166.6	-73.7	-50.7	0	0	0	113.3	G478 R479 T485 D502 C507	G478-N505 PolarHBondContact O-ND2 2.94Å; R479-N505 WeakPolarHBondContact CA-OD1 3.26Å; R479-N505 WeakPolarHBondContact CB-OD1 3.19Å; R479-N505 VanDerWaalsContact CG-OD1 3.25Å; R479-N505 WeakPolarHBondContact CG-OD1 3.49Å; T485-N505 PolarHBondContact N-ND2 3.46Å; T485-N505 VanDerWaalsContact OG1-CG 3.31Å; T485-N505 PolarHBondContact OG1-N 2.86Å; T485-N505 PolarHBondContact OG1-ND2 3.42Å; D502-N505 HydrophobicContact CB-CB 4.1Å; D502-N505 PolarHBondContact OD1-N 3.01Å; D502-N505 PolarHBondContact OD2-ND2 3.08Å; N505-C507 VanDerWaalsContact C-N 3.27Å; N505-C507 PolarHBondContact O-N 3.39Å
506	Q	93.5	Very high	91.5	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.079	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	36.8	170.8	-52.9	-178	-70.6	0	0	113.7	D502 N504 Q532	D502-Q506 WeakPolarHBondContact O-CA 3.17Å; D502-Q506 PolarHBondContact O-N 2.94Å; N504-Q506 VanDerWaalsContact C-N 3.28Å; Q506-Q532 PolarHBondContact NE2-O 3.39Å; Q506-Q532 VanDerWaalsContact NE2-OE1 3.08Å
507	C	94.3	Very high	91.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.2	-172.2	63.6	0	0	0	0	111.9	D502 N505 R520 F521	D502-C507 PolarHBondContact N-O 2.94Å; D502-C507 PolarHBondContact O-N 3.34Å; N505-C507 VanDerWaalsContact C-N 3.27Å; N505-C507 PolarHBondContact O-N 3.39Å; C507-R520 HydrophobicContact CB-CG 4.17Å; C507-R520 PolarHBondContact SG-NE 3.21Å; C507-F521 WeakPolarHBondContact CA-O 3.33Å; C507-F521 VanDerWaalsContact CB-O 3.28Å; C507-F521 WeakPolarHBondContact CB-O 3.41Å
508	V	95.3	Very high	92	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.2	162.7	171.8	0	0	0	0	109	L499 I500 A501 R520 F521 I547	L499-V508 HydrophobicContact CB-CG1 4.33Å; I500-V508 WeakPolarHBondContact O-CA 3.31Å; A501-V508 HydrophobicContact CB-CG2 4.18Å; V508-R520 WeakPolarHBondContact O-CA 3.4Å; V508-F521 HydrophobicContact CB-CD1 4.42Å; V508-F521 HydrophobicContact CB-CE1 3.78Å; V508-F521 HydrophobicContact CB-CE2 4.45Å; V508-F521 HydrophobicContact CB-CZ 3.81Å; V508-F521 HydrophobicContact CG1-CE1 3.74Å; V508-F521 HydrophobicContact CG1-CZ 3.99Å; V508-F521 PolarHBondContact N-O 3.41Å; V508-F521 PolarHBondContact O-N 3.5Å; V508-I547 HydrophobicContact CB-CD1 4.26Å; V508-I547 HydrophobicContact CG2-CD1 3.48Å; V508-I547 VanDerWaalsContact CG2-CD1 3.48Å; V508-I547 HydrophobicContact CG2-CG1 4.08Å
509	Q	94.6	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.2	173.7	-64.3	-171	81.8	0	0	109.1	E483 F484 I500 F511 F517 S519 R520	E483-Q509 PolarHBondContact O-NE2 3.31Å; F484-Q509 HydrophobicContact CE1-CB 4.27Å; F484-Q509 HydrophobicContact CE1-CG 4.49Å; F484-Q509 VanDerWaalsContact CE1-NE2 3.33Å; I500-Q509 PolarHBondContact N-O 3.4Å; I500-Q509 PolarHBondContact O-N 2.94Å; Q509-F511 HydrophobicContact CB-CE2 3.54Å; Q509-F511 HydrophobicContact CB-CZ 3.97Å; Q509-F517 HydrophobicContact CB-CE2 4.36Å; Q509-F517 HydrophobicContact CG-CE2 4.34Å; Q509-S519 WeakPolarHBondContact CA-O 3.18Å; Q509-R520 HydrophobicContact CG-CB 4.01Å; Q509-R520 HydrophobicContact CG-CG 3.82Å
510	I	93.9	Very high	91.8	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.7	-179.3	-49.7	-174.1	0	0	0	108.9	K497 V498 L499 R518 S519 F521 I545	K497-I510 HydrophobicContact CB-CG2 3.95Å; K497-I510 HydrophobicContact CD-CG2 4.49Å; K497-I510 HydrophobicContact CG-CG2 4.27Å; V498-I510 CarbonylContact O-C 3.55Å; V498-I510 WeakPolarHBondContact O-CA 3.35Å; L499-I510 HydrophobicContact CD2-CD1 4.25Å; L499-I510 HydrophobicContact CD2-CG1 4.36Å; L499-I510 HydrophobicContact CG-CD1 4.5Å; L499-I510 HydrophobicContact CG-CG1 4.21Å; L499-I510 HydrophobicContact CG-CG2 4.42Å; I510-R518 WeakPolarHBondContact O-CA 3.28Å; I510-R518 WeakPolarHBondContact O-CB 3.49Å; I510-R518 PolarHBondContact O-N 3.18Å; I510-S519 PolarHBondContact N-O 2.89Å; I510-S519 PolarHBondContact O-N 3.19Å; I510-S519 VanDerWaalsContact O-N 3.14Å; I510-F521 HydrophobicContact CD1-CE1 4.04Å; I510-F521 HydrophobicContact CG1-CE1 4.24Å; I510-I545 HydrophobicContact CD1-CD1 3.84Å
511	F	93	Very high	91.7	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	163.2	178.3	-57.1	-99.4	0	0	0	109.7	I474 F484 K497 V498 I500 Q509 G515 Q516 F517	I474-F511 HydrophobicContact CD1-CB 4.3Å; I474-F511 HydrophobicContact CD1-CG 4.4Å; I474-F511 HydrophobicContact CG2-CD1 3.47Å; I474-F511 VanDerWaalsContact CG2-CD1 3.47Å; I474-F511 HydrophobicContact CG2-CD2 4.17Å; I474-F511 HydrophobicContact CG2-CE1 3.45Å; I474-F511 VanDerWaalsContact CG2-CE1 3.45Å; I474-F511 HydrophobicContact CG2-CE2 4.16Å; I474-F511 HydrophobicContact CG2-CG 3.86Å; I474-F511 HydrophobicContact CG2-CZ 3.83Å; F484-F511 HydrophobicContact CE1-CE2 4.14Å; F484-F511 HydrophobicContact CE1-CZ 4.11Å; F484-F511 HydrophobicContact CE2-CZ 4.32Å; F484-F511 AromaticContact CZ-CE2 3.6Å; F484-F511 HydrophobicContact CZ-CE2 3.6Å; F484-F511 AromaticContact CZ-CZ 3.47Å; F484-F511 HydrophobicContact CZ-CZ 3.47Å; F484-F511 VanDerWaalsContact CZ-CZ 3.47Å; K497-F511 CarbonylContact C-O 3.49Å; K497-F511 WeakPolarHBondContact CA-O 3.08Å; V498-F511 HydrophobicContact CB-CB 4.47Å; V498-F511 PolarHBondContact N-O 3.27Å; V498-F511 PolarHBondContact O-N 2.96Å; I500-F511 HydrophobicContact CB-CE2 4.44Å; I500-F511 HydrophobicContact CD1-CD2 3.93Å; I500-F511 HydrophobicContact CD1-CE2 3.92Å; I500-F511 HydrophobicContact CG1-CD2 4.4Å; I500-F511 HydrophobicContact CG1-CE2 4.43Å; Q509-F511 HydrophobicContact CB-CE2 3.54Å; Q509-F511 HydrophobicContact CB-CZ 3.97Å; F511-G515 WeakPolarHBondContact CD1-O 3.41Å; F511-Q516 CarbonylContact C-O 3.53Å; F511-Q516 WeakPolarHBondContact CA-O 3.48Å; F511-Q516 WeakPolarHBondContact CB-O 3.32Å; F511-F517 VanDerWaalsContact CD1-CA 3.49Å; F511-F517 HydrophobicContact CD1-CB 4.04Å; F511-F517 HydrophobicContact CE1-CB 3.85Å; F511-F517 AromaticContact CE1-CD2 3.92Å; F511-F517 HydrophobicContact CE1-CD2 3.92Å; F511-F517 HydrophobicContact CE1-CG 4.4Å; F511-F517 HydrophobicContact CZ-CD2 4.02Å
512	S	90.2	Very high	91.4	Very high	8 Å²	8	42 Å²	42	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	170.6	163.2	51.3	0	0	0	0	111.7	G496 D514 G515 Q516 R518	G496-S512 WeakPolarHBondContact O-CA 3.27Å; S512-D514 WeakPolarHBondContact CB-OD2 3.38Å; S512-D514 PolarHBondContact O-N 3Å; S512-D514 VanDerWaalsContact O-N 3.11Å; S512-D514 PolarHBondContact OG-OD2 2.98Å; S512-G515 PolarHBondContact O-N 2.98Å; S512-Q516 PolarHBondContact N-O 3.47Å; S512-R518 PolarHBondContact OG-NE 3.06Å; S512-R518 PolarHBondContact OG-NH2 3.38Å; S512-R518 VanDerWaalsContact OG-NH2 3.08Å
513	N	86.4	Confident	91.2	Very high	89 Å²	89	47.5 Å²	47.5	48%	0.476	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.8	174.4	-73.1	4	0	0	0	113.9	F472 G496 G515	F472-N513 WeakPolarHBondContact CE1-O 3.43Å; F472-N513 WeakPolarHBondContact CZ-O 3.49Å; G496-N513 VanDerWaalsContact CA-OD1 3.28Å; G496-N513 WeakPolarHBondContact CA-OD1 3.46Å; G496-N513 PolarHBondContact O-N 3.45Å; G496-N513 PolarHBondContact O-OD1 3.21Å; N513-G515 VanDerWaalsContact C-N 3.27Å
514	D	85.4	Confident	91.1	Very high	106 Å²	106	55.7 Å²	55.7	57%	0.567	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	10.8	175.9	-1.3	-99	0	0	0	112.7	S512 Q516	S512-D514 WeakPolarHBondContact CB-OD2 3.38Å; S512-D514 PolarHBondContact O-N 3Å; S512-D514 VanDerWaalsContact O-N 3.11Å; S512-D514 PolarHBondContact OG-OD2 2.98Å; D514-Q516 PolarHBondContact O-N 2.97Å
515	G	85.4	Confident	91.1	Very high	18 Å²	18	51.8 Å²	51.8	19%	0.186	26%	0.255	C	S	.	.			trans	75	2.4	177.9	0	0	0	0	0	115.7	F511 S512 N513	F511-G515 WeakPolarHBondContact CD1-O 3.41Å; S512-G515 PolarHBondContact O-N 2.98Å; N513-G515 VanDerWaalsContact C-N 3.27Å
516	Q	88.8	Confident	91.1	Very high	117 Å²	117	57.9 Å²	57.9	55%	0.547	28%	0.276	S	S	.	.			trans	-71.7	131.2	178.6	-59	-176.6	2.4	0	0	111.4	F511 S512 D514 R518	F511-Q516 CarbonylContact C-O 3.53Å; F511-Q516 WeakPolarHBondContact CA-O 3.48Å; F511-Q516 WeakPolarHBondContact CB-O 3.32Å; S512-Q516 PolarHBondContact N-O 3.47Å; D514-Q516 PolarHBondContact O-N 2.97Å; Q516-R518 PolarHBondContact O-N 3.49Å
517	F	91.8	Very high	91	Very high	65 Å²	65	60.4 Å²	60.4	29%	0.285	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.4	175.1	175.1	-89.5	0	0	0	111.3	K481 Q509 F511 S519 R520	K481-F517 HydrophobicContact CB-CD1 4.18Å; K481-F517 HydrophobicContact CB-CD2 4.29Å; K481-F517 HydrophobicContact CB-CE1 3.89Å; K481-F517 HydrophobicContact CB-CE2 3.99Å; K481-F517 HydrophobicContact CB-CG 4.38Å; K481-F517 HydrophobicContact CB-CZ 3.77Å; K481-F517 HydrophobicContact CD-CE1 3.84Å; K481-F517 HydrophobicContact CD-CZ 4.16Å; K481-F517 HydrophobicContact CG-CE1 3.96Å; K481-F517 HydrophobicContact CG-CE2 4.42Å; K481-F517 HydrophobicContact CG-CZ 3.79Å; Q509-F517 HydrophobicContact CB-CE2 4.36Å; Q509-F517 HydrophobicContact CG-CE2 4.34Å; F511-F517 VanDerWaalsContact CD1-CA 3.49Å; F511-F517 HydrophobicContact CD1-CB 4.04Å; F511-F517 HydrophobicContact CE1-CB 3.85Å; F511-F517 AromaticContact CE1-CD2 3.92Å; F511-F517 HydrophobicContact CE1-CD2 3.92Å; F511-F517 HydrophobicContact CE1-CG 4.4Å; F511-F517 HydrophobicContact CZ-CD2 4.02Å; F517-S519 VanDerWaalsContact CE2-O 3.27Å; F517-S519 WeakPolarHBondContact CE2-O 3.44Å; F517-S519 WeakPolarHBondContact CZ-O 3.48Å; F517-R520 HydrophobicContact CE2-CB 3.95Å; F517-R520 HydrophobicContact CZ-CB 3.75Å
518	R	90.9	Very high	90.8	Very high	148 Å²	148	63.6 Å²	63.6	56%	0.558	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	-50.8	178.4	-60.5	-64.1	-179.6	141.7	-2.1	112.2	I510 S512 Q516	I510-R518 WeakPolarHBondContact O-CA 3.28Å; I510-R518 WeakPolarHBondContact O-CB 3.49Å; I510-R518 PolarHBondContact O-N 3.18Å; S512-R518 PolarHBondContact OG-NE 3.06Å; S512-R518 PolarHBondContact OG-NH2 3.38Å; S512-R518 VanDerWaalsContact OG-NH2 3.08Å; Q516-R518 PolarHBondContact O-N 3.49Å
519	S	91.8	Very high	90.3	Very high	41 Å²	41	64.4 Å²	64.4	29%	0.287	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.7	-178.7	71.3	0	0	0	0	113.4	Q509 I510 F517	Q509-S519 WeakPolarHBondContact CA-O 3.18Å; I510-S519 PolarHBondContact N-O 2.89Å; I510-S519 PolarHBondContact O-N 3.19Å; I510-S519 VanDerWaalsContact O-N 3.14Å; F517-S519 VanDerWaalsContact CE2-O 3.27Å; F517-S519 WeakPolarHBondContact CE2-O 3.44Å; F517-S519 WeakPolarHBondContact CZ-O 3.48Å
520	R	92.5	Very high	90.3	Very high	91 Å²	91	66.8 Å²	66.8	34%	0.343	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.7	174.3	174.6	172.6	176.4	-177.2	-3.9	108.9	R479 N480 C507 V508 Q509 F517	R479-R520 PolarHBondContact O-NH1 3.06Å; R479-R520 PolarHBondContact O-NH2 2.76Å; N480-R520 PolarHBondContact O-NH1 3.43Å; C507-R520 HydrophobicContact CB-CG 4.17Å; C507-R520 PolarHBondContact SG-NE 3.21Å; V508-R520 WeakPolarHBondContact O-CA 3.4Å; Q509-R520 HydrophobicContact CG-CB 4.01Å; Q509-R520 HydrophobicContact CG-CG 3.82Å; F517-R520 HydrophobicContact CE2-CB 3.95Å; F517-R520 HydrophobicContact CZ-CB 3.75Å
521	F	93.4	Very high	90.2	Very high	22 Å²	22	66.5 Å²	66.5	10%	0.096	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.6	176	70.4	-81.2	0	0	0	111.4	C507 V508 I510 I545 I547 F558 G562	C507-F521 WeakPolarHBondContact CA-O 3.33Å; C507-F521 VanDerWaalsContact CB-O 3.28Å; C507-F521 WeakPolarHBondContact CB-O 3.41Å; V508-F521 HydrophobicContact CB-CD1 4.42Å; V508-F521 HydrophobicContact CB-CE1 3.78Å; V508-F521 HydrophobicContact CB-CE2 4.45Å; V508-F521 HydrophobicContact CB-CZ 3.81Å; V508-F521 HydrophobicContact CG1-CE1 3.74Å; V508-F521 HydrophobicContact CG1-CZ 3.99Å; V508-F521 PolarHBondContact N-O 3.41Å; V508-F521 PolarHBondContact O-N 3.5Å; I510-F521 HydrophobicContact CD1-CE1 4.04Å; I510-F521 HydrophobicContact CG1-CE1 4.24Å; F521-I545 HydrophobicContact CE1-CD1 3.85Å; F521-I545 HydrophobicContact CZ-CB 4.45Å; F521-I545 HydrophobicContact CZ-CD1 3.76Å; F521-I545 HydrophobicContact CZ-CG2 4.14Å; F521-I547 HydrophobicContact CE2-CD1 3.86Å; F521-I547 HydrophobicContact CZ-CD1 3.95Å; F521-F558 HydrophobicContact CD2-CD1 4.03Å; F521-F558 HydrophobicContact CD2-CE1 4.27Å; F521-F558 HydrophobicContact CD2-CG 4.38Å; F521-F558 HydrophobicContact CE2-CB 4.02Å; F521-F558 AromaticContact CE2-CD1 3.84Å; F521-F558 HydrophobicContact CE2-CD1 3.84Å; F521-F558 HydrophobicContact CE2-CD2 4.03Å; F521-F558 HydrophobicContact CE2-CE1 4.27Å; F521-F558 HydrophobicContact CE2-CE2 4.41Å; F521-F558 AromaticContact CE2-CG 3.72Å; F521-F558 HydrophobicContact CE2-CG 3.72Å; F521-G562 WeakPolarHBondContact CD2-O 3.35Å
522	G	89.2	Confident	90.3	Very high	32 Å²	32	68 Å²	68	33%	0.33	34%	0.339	S	S	.	.			trans	123.7	135.6	-172.6	0	0	0	0	0	111.8
523	I	89.4	Confident	90.5	Very high	116 Å²	116	70 Å²	70	60%	0.595	35%	0.345	S	S	*	.			trans	-124.1	131.2	177.3	-61.3	173.4	0	0	0	106.5	G525 Q530 M531	I523-G525 PolarHBondContact O-N 2.96Å; I523-Q530 HydrophobicContact CB-CG 4.31Å; I523-Q530 HydrophobicContact CG2-CG 4.19Å; I523-Q530 CarbonylContact O-C 3.14Å; I523-Q530 VanDerWaalsContact O-CA 3.25Å; I523-Q530 WeakPolarHBondContact O-CA 3.34Å; I523-Q530 WeakPolarHBondContact O-CB 3.44Å; I523-M531 PolarHBondContact O-N 3.49Å
524	R	90.3	Very high	91	Very high	175 Å²	175	65.8 Å²	65.8	66%	0.66	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-57.5	129.8	177.7	172.1	176.6	-175.5	110.3	-9.1	110.9	M531	R524-M531 CarbonylContact C-O 3.56Å; R524-M531 WeakPolarHBondContact CA-O 3.47Å
525	G	90.7	Very high	91.5	Very high	12 Å²	12	60.8 Å²	60.8	12%	0.124	30%	0.295	C	S	.	.	S	Bend	trans	147.4	-157.5	162.8	0	0	0	0	0	114.9	I523 Q530 M531 Q532 N552	I523-G525 PolarHBondContact O-N 2.96Å; G525-Q530 VanDerWaalsContact C-OE1 3.27Å; G525-Q530 VanDerWaalsContact CA-OE1 3.23Å; G525-M531 PolarHBondContact N-O 2.92Å; G525-M531 CarbonylContact O-C 3.54Å; G525-Q532 PolarHBondContact O-N 3.01Å; G525-N552 PolarHBondContact O-ND2 3.13Å
526	R	91.9	Very high	91.9	Very high	148 Å²	148	60 Å²	60	56%	0.558	29%	0.287	S	S	*	.	S	Bend	trans	-126.9	6.2	-165	-55.3	-169.5	171.6	-83.4	8.6	114.7	D551 N552 W554	R526-D551 PolarHBondContact NH1-O 2.88Å; R526-D551 VanDerWaalsContact NH1-O 3.1Å; R526-N552 WeakPolarHBondContact CA-OD1 3.37Å; R526-N552 WeakPolarHBondContact CG-OD1 3.41Å; R526-N552 PolarHBondContact NH1-OD1 2.92Å; R526-W554 VanDerWaalsContact O-CH2 3.27Å; R526-W554 WeakPolarHBondContact O-CH2 3.43Å
527	T	91.9	Very high	92.3	Very high	70 Å²	70	54.8 Å²	54.8	43%	0.429	26%	0.264	S	S	.	.	S	Bend	trans	-85.2	165	171.4	71.3	0	0	0	0	110.8	G529 Q530	T527-G529 PolarHBondContact O-N 3.33Å; T527-Q530 WeakPolarHBondContact O-CB 3.38Å; T527-Q530 PolarHBondContact O-N 2.84Å; T527-Q530 VanDerWaalsContact O-N 3.08Å; T527-Q530 VanDerWaalsContact OG1-CG 3.28Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.49Å; T527-Q530 PolarHBondContact OG1-NE2 3.44Å; T527-Q530 PolarHBondContact OG1-OE1 2.91Å
528	P	89.7	Confident	92.5	Very high	69 Å²	69	52.2 Å²	52.2	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	141.6	163	-24.2	35.3	0	0	0	110.8	Q530 F564 K567	P528-Q530 PolarHBondContact O-N 2.83Å; P528-F564 HydrophobicContact CB-CD1 4.49Å; P528-F564 HydrophobicContact CB-CE1 3.62Å; P528-F564 HydrophobicContact CB-CZ 3.66Å; P528-K567 HydrophobicContact CG-CD 4.39Å
529	G	85.8	Confident	92.7	Very high	16 Å²	16	46.8 Å²	46.8	17%	0.165	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-14.6	-173.8	0	0	0	0	0	116.4	T527 F564	T527-G529 PolarHBondContact O-N 3.33Å; G529-F564 VanDerWaalsContact CA-CD2 3.43Å
530	Q	93.1	Very high	92.8	Very high	51 Å²	51	46.2 Å²	46.2	24%	0.238	23%	0.23	C	C	.	.			trans	-90.8	159.4	169.8	-67.4	175.9	-10.6	0	0	111.2	I523 G525 T527 P528	I523-Q530 HydrophobicContact CB-CG 4.31Å; I523-Q530 HydrophobicContact CG2-CG 4.19Å; I523-Q530 CarbonylContact O-C 3.14Å; I523-Q530 VanDerWaalsContact O-CA 3.25Å; I523-Q530 WeakPolarHBondContact O-CA 3.34Å; I523-Q530 WeakPolarHBondContact O-CB 3.44Å; G525-Q530 VanDerWaalsContact C-OE1 3.27Å; G525-Q530 VanDerWaalsContact CA-OE1 3.23Å; T527-Q530 WeakPolarHBondContact O-CB 3.38Å; T527-Q530 PolarHBondContact O-N 2.84Å; T527-Q530 VanDerWaalsContact O-N 3.08Å; T527-Q530 VanDerWaalsContact OG1-CG 3.28Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.49Å; T527-Q530 PolarHBondContact OG1-NE2 3.44Å; T527-Q530 PolarHBondContact OG1-OE1 2.91Å; P528-Q530 PolarHBondContact O-N 2.83Å
531	M	92.8	Very high	92.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-128.6	141.2	175.9	-66.7	-171.3	-76.7	0	0	110.7	I523 R524 G525 P534 I547 D549 F558	I523-M531 PolarHBondContact O-N 3.49Å; R524-M531 CarbonylContact C-O 3.56Å; R524-M531 WeakPolarHBondContact CA-O 3.47Å; G525-M531 PolarHBondContact N-O 2.92Å; G525-M531 CarbonylContact O-C 3.54Å; M531-P534 HydrophobicContact CB-CG 4.46Å; M531-P534 HydrophobicContact SD-CB 3.9Å; M531-P534 HydrophobicContact SD-CG 4.3Å; M531-I547 HydrophobicContact CE-CD1 4.3Å; M531-I547 HydrophobicContact SD-CB 4.49Å; M531-I547 HydrophobicContact SD-CD1 3.8Å; M531-I547 HydrophobicContact SD-CG2 3.88Å; M531-D549 VanDerWaalsContact CA-OD2 3.29Å; M531-D549 WeakPolarHBondContact CA-OD2 3.45Å; M531-F558 HydrophobicContact CE-CZ 4.44Å; M531-F558 HydrophobicContact CG-CZ 4.38Å; M531-F558 HydrophobicContact SD-CE2 4.29Å; M531-F558 HydrophobicContact SD-CZ 4.35Å
532	Q	94.1	Very high	92.6	Very high	35 Å²	35	48.7 Å²	48.7	16%	0.164	26%	0.262	C	S	.	.	S	Bend	trans	-115.2	-45.3	178.7	176.9	56.4	27.9	0	0	111.1	Q506 G525 D549 D551 N552	Q506-Q532 PolarHBondContact NE2-O 3.39Å; Q506-Q532 VanDerWaalsContact NE2-OE1 3.08Å; G525-Q532 PolarHBondContact O-N 3.01Å; Q532-D549 PolarHBondContact N-OD2 3.11Å; Q532-D551 HydrophobicContact CB-CB 4.09Å; Q532-D551 HydrophobicContact CG-CB 3.52Å; Q532-N552 VanDerWaalsContact CB-ND2 3.34Å; Q532-N552 WeakPolarHBondContact CB-ND2 3.3Å; Q532-N552 PolarHBondContact N-ND2 3.43Å
533	R	95	Very high	92.6	Very high	50 Å²	50	47.7 Å²	47.7	19%	0.189	25%	0.251	C	S	.	.			trans	-146.3	75.2	174	-159	170.4	86	78.3	-8	111.8	S503 T535 D549 Y550 D551	S503-R533 WeakPolarHBondContact OG-CG 3.35Å; R533-T535 PolarHBondContact O-N 3.39Å; R533-D549 PolarHBondContact N-OD1 3.04Å; R533-D549 PolarHBondContact N-OD2 3.14Å; R533-D549 WeakPolarHBondContact O-CA 3.34Å; R533-Y550 PolarHBondContact O-N 3.45Å; R533-Y550 VanDerWaalsContact O-N 3.1Å; R533-D551 HydrophobicContact CB-CB 3.69Å; R533-D551 VanDerWaalsContact CB-CG 3.45Å; R533-D551 WeakPolarHBondContact CD-OD1 3.12Å; R533-D551 IonicContact NE-OD1 2.65Å; R533-D551 PolarHBondContact NE-OD1 2.98Å
534	P	96.4	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.7	176.5	28	-33.6	0	0	0	109.9	D502 S503 M531 I547 A548	D502-P534 WeakPolarHBondContact O-CG 3.45Å; S503-P534 WeakPolarHBondContact CA-O 3.37Å; S503-P534 WeakPolarHBondContact CB-O 3.42Å; S503-P534 PolarHBondContact OG-O 2.64Å; M531-P534 HydrophobicContact CB-CG 4.46Å; M531-P534 HydrophobicContact SD-CB 3.9Å; M531-P534 HydrophobicContact SD-CG 4.3Å; P534-I547 HydrophobicContact CB-CG2 3.69Å; P534-A548 WeakPolarHBondContact CA-O 3.43Å
535	T	95.9	Very high	93.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-79.8	-173.8	45.1	0	0	0	0	110.5	Q488 G489 A501 R533 A548 P576 K577	Q488-T535 CarbonylContact C-O 3.4Å; Q488-T535 HydrophobicContact CB-CG2 4.42Å; Q488-T535 HydrophobicContact CG-CG2 4.31Å; G489-T535 VanDerWaalsContact CA-O 3.31Å; G489-T535 WeakPolarHBondContact CA-O 3.36Å; G489-T535 PolarHBondContact N-O 3.06Å; G489-T535 VanDerWaalsContact N-O 3.11Å; A501-T535 WeakPolarHBondContact CB-O 3.35Å; R533-T535 PolarHBondContact O-N 3.39Å; T535-A548 PolarHBondContact N-O 3.42Å; T535-A548 PolarHBondContact OG1-O 2.97Å; T535-P576 PolarHBondContact OG1-O 3.48Å; T535-K577 PolarHBondContact OG1-O 2.76Å
536	G	95.1	Very high	93.4	Very high	1 Å²	1	34 Å²	34	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	145.2	171.3	0	0	0	0	0	112.5	I547 A548 K577	G536-I547 WeakPolarHBondContact O-CA 3.36Å; G536-A548 PolarHBondContact O-N 2.72Å; G536-K577 WeakPolarHBondContact CA-O 3.47Å; G536-K577 PolarHBondContact N-O 3.13Å
537	V	96.6	Very high	93.6	Very high	9 Å²	9	27 Å²	27	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.1	168.9	57.6	0	0	0	0	108.4	A491 L499 A501 I545 I546 I547	A491-V537 HydrophobicContact CB-CG1 4.18Å; A491-V537 WeakPolarHBondContact CB-O 3.05Å; L499-V537 HydrophobicContact CB-CG2 4.13Å; L499-V537 HydrophobicContact CD2-CG2 4.46Å; A501-V537 HydrophobicContact CB-CB 4.3Å; A501-V537 HydrophobicContact CB-CG1 4.14Å; V537-I545 HydrophobicContact CG2-CG2 3.9Å; V537-I546 CarbonylContact C-O 3.51Å; V537-I546 WeakPolarHBondContact CA-O 3.39Å; V537-I547 HydrophobicContact CG2-CG1 4.25Å
538	A	95.9	Very high	93.8	Very high	10 Å²	10	23.7 Å²	23.7	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	163.4	173.8	0	0	0	0	0	110	I546 V579 V581	A538-I546 PolarHBondContact N-O 3.02Å; A538-I546 PolarHBondContact O-N 3.2Å; A538-V579 HydrophobicContact CB-CG1 4.11Å; A538-V581 HydrophobicContact CB-CG2 4.08Å
539	V	94.8	Very high	94.1	Very high	35 Å²	35	20.4 Å²	20.4	21%	0.212	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.3	176.4	-175.3	0	0	0	0	108.4	A491 L499	A491-V539 HydrophobicContact CB-CG2 4.46Å; L499-V539 HydrophobicContact CD1-CG2 3.66Å; L499-V539 HydrophobicContact CD2-CG2 4.16Å
540	H	94.3	Very high	94.6	Very high	28 Å²	28	21 Å²	21	13%	0.13	12%	0.119	C	C	.	.			trans	-78.1	151.1	174.9	-177.4	-97.7	0	0	0	110.3	S542 G543 D544 I546 G585	H540-S542 WeakPolarHBondContact ND1-CB 3.36Å; H540-S542 PolarHBondContact ND1-N 2.86Å; H540-S542 PolarHBondContact ND1-OG 3.47Å; H540-S542 PolarHBondContact O-N 3.14Å; H540-G543 WeakPolarHBondContact O-CA 3.35Å; H540-G543 PolarHBondContact O-N 3.13Å; H540-D544 HydrophobicContact CB-CB 4.25Å; H540-D544 WeakPolarHBondContact CB-O 3.3Å; H540-D544 PolarHBondContact N-O 2.79Å; H540-I546 HydrophobicContact CB-CD1 3.92Å; H540-I546 HydrophobicContact CB-CG1 4.31Å; H540-G585 WeakPolarHBondContact NE2-CA 3.45Å; H540-G585 PolarHBondContact NE2-O 3.32Å
541	P	91	Very high	94.7	Very high	98 Å²	98	21.2 Å²	21.2	64%	0.636	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.4	178.2	-30.9	37.2	0	0	0	116	G543	P541-G543 PolarHBondContact O-N 3.01Å
542	S	90.4	Very high	94.8	Very high	68 Å²	68	21.9 Å²	21.9	48%	0.476	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.5	171.3	64.4	0	0	0	0	114.9	H540 D544	H540-S542 WeakPolarHBondContact ND1-CB 3.36Å; H540-S542 PolarHBondContact ND1-N 2.86Å; H540-S542 PolarHBondContact ND1-OG 3.47Å; H540-S542 PolarHBondContact O-N 3.14Å; S542-D544 VanDerWaalsContact C-N 3.34Å; S542-D544 WeakPolarHBondContact OG-CB 3.49Å; S542-D544 VanDerWaalsContact OG-CG 3.23Å; S542-D544 PolarHBondContact OG-N 2.82Å; S542-D544 PolarHBondContact OG-OD2 2.7Å
543	G	90	Very high	94.8	Very high	10 Å²	10	24.4 Å²	24.4	10%	0.103	14%	0.136	C	C	.	.	S	Bend	trans	86.6	-4	-168.2	0	0	0	0	0	114.6	H540 P541 N560	H540-G543 WeakPolarHBondContact O-CA 3.35Å; H540-G543 PolarHBondContact O-N 3.13Å; P541-G543 PolarHBondContact O-N 3.01Å; G543-N560 WeakPolarHBondContact O-CB 3.26Å
544	D	94.4	Very high	94.9	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.07	13%	0.131	C	C	.	.			trans	-67	140	176.6	-69.8	-47.8	0	0	0	112	H540 S542 I557 F558 K565	H540-D544 HydrophobicContact CB-CB 4.25Å; H540-D544 WeakPolarHBondContact CB-O 3.3Å; H540-D544 PolarHBondContact N-O 2.79Å; S542-D544 VanDerWaalsContact C-N 3.34Å; S542-D544 WeakPolarHBondContact OG-CB 3.49Å; S542-D544 VanDerWaalsContact OG-CG 3.23Å; S542-D544 PolarHBondContact OG-N 2.82Å; S542-D544 PolarHBondContact OG-OD2 2.7Å; D544-I557 HydrophobicContact CB-CG2 4.15Å; D544-F558 CarbonylContact C-O 3.6Å; D544-F558 WeakPolarHBondContact CA-O 3.39Å; D544-F558 WeakPolarHBondContact CB-O 3.48Å; D544-K565 WeakPolarHBondContact OD1-CD 3.28Å; D544-K565 WeakPolarHBondContact OD1-CE 3.4Å; D544-K565 IonicContact OD1-NZ 3.73Å; D544-K565 PolarHBondContact OD1-NZ 3.42Å; D544-K565 IonicContact OD2-NZ 3.55Å; D544-K565 PolarHBondContact OD2-NZ 3.3Å
545	I	95.5	Very high	94.9	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.5	-177.6	-51.1	170.6	0	0	0	108.9	L499 I510 F521 V537 I547 F558 S559	L499-I545 HydrophobicContact CD2-CB 4.27Å; L499-I545 HydrophobicContact CD2-CD1 3.62Å; L499-I545 HydrophobicContact CD2-CG1 3.69Å; L499-I545 HydrophobicContact CD2-CG2 3.59Å; I510-I545 HydrophobicContact CD1-CD1 3.84Å; F521-I545 HydrophobicContact CE1-CD1 3.85Å; F521-I545 HydrophobicContact CZ-CB 4.45Å; F521-I545 HydrophobicContact CZ-CD1 3.76Å; F521-I545 HydrophobicContact CZ-CG2 4.14Å; V537-I545 HydrophobicContact CG2-CG2 3.9Å; I545-I547 HydrophobicContact CG2-CD1 4.27Å; I545-I547 HydrophobicContact CG2-CG1 4.11Å; I545-F558 HydrophobicContact CB-CB 4.46Å; I545-F558 PolarHBondContact N-O 3.22Å; I545-F558 PolarHBondContact O-N 3.03Å; I545-S559 WeakPolarHBondContact CD1-O 3.41Å
546	I	96.6	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.8	-175.8	-56	-166	0	0	0	109.3	V537 A538 H540 V555 I557 V579 V581 V587	V537-I546 CarbonylContact C-O 3.51Å; V537-I546 WeakPolarHBondContact CA-O 3.39Å; A538-I546 PolarHBondContact N-O 3.02Å; A538-I546 PolarHBondContact O-N 3.2Å; H540-I546 HydrophobicContact CB-CD1 3.92Å; H540-I546 HydrophobicContact CB-CG1 4.31Å; I546-V555 HydrophobicContact CG2-CG1 3.26Å; I546-I557 HydrophobicContact CG1-CG1 4.36Å; I546-I557 HydrophobicContact CG1-CG2 4.44Å; I546-V579 HydrophobicContact CG2-CG2 3.76Å; I546-V581 HydrophobicContact CD1-CG2 4.04Å; I546-V587 HydrophobicContact CD1-CG1 4.31Å; I546-V587 HydrophobicContact CD1-CG2 3.57Å; I546-V587 HydrophobicContact CG2-CG1 3.78Å
547	I	96.8	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.8	-171	-56.6	167.6	0	0	0	110.7	V508 F521 M531 P534 G536 V537 I545 V555 S556 F558	V508-I547 HydrophobicContact CB-CD1 4.26Å; V508-I547 HydrophobicContact CG2-CD1 3.48Å; V508-I547 VanDerWaalsContact CG2-CD1 3.48Å; V508-I547 HydrophobicContact CG2-CG1 4.08Å; F521-I547 HydrophobicContact CE2-CD1 3.86Å; F521-I547 HydrophobicContact CZ-CD1 3.95Å; M531-I547 HydrophobicContact CE-CD1 4.3Å; M531-I547 HydrophobicContact SD-CB 4.49Å; M531-I547 HydrophobicContact SD-CD1 3.8Å; M531-I547 HydrophobicContact SD-CG2 3.88Å; P534-I547 HydrophobicContact CB-CG2 3.69Å; G536-I547 WeakPolarHBondContact O-CA 3.36Å; V537-I547 HydrophobicContact CG2-CG1 4.25Å; I545-I547 HydrophobicContact CG2-CD1 4.27Å; I545-I547 HydrophobicContact CG2-CG1 4.11Å; I547-V555 CarbonylContact O-C 3.34Å; I547-V555 WeakPolarHBondContact O-CA 3.35Å; I547-S556 PolarHBondContact N-O 2.95Å; I547-S556 PolarHBondContact O-N 3.41Å; I547-F558 HydrophobicContact CD1-CD2 3.74Å; I547-F558 HydrophobicContact CD1-CE2 3.76Å; I547-F558 HydrophobicContact CG1-CD2 4.47Å
548	A	96.8	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.2	172.1	0	0	0	0	0	111.1	P534 T535 G536 V555 P576 V579	P534-A548 WeakPolarHBondContact CA-O 3.43Å; T535-A548 PolarHBondContact N-O 3.42Å; T535-A548 PolarHBondContact OG1-O 2.97Å; G536-A548 PolarHBondContact O-N 2.72Å; A548-V555 HydrophobicContact CB-CG2 4.4Å; A548-P576 HydrophobicContact CB-CB 4.24Å; A548-V579 HydrophobicContact CB-CB 4.2Å; A548-V579 HydrophobicContact CB-CG1 4.19Å
549	D	95.9	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	106.8	175.8	-168.9	-34.2	0	0	0	110.8	M531 Q532 R533 D551 N552 K553 W554 P576	M531-D549 VanDerWaalsContact CA-OD2 3.29Å; M531-D549 WeakPolarHBondContact CA-OD2 3.45Å; Q532-D549 PolarHBondContact N-OD2 3.11Å; R533-D549 PolarHBondContact N-OD1 3.04Å; R533-D549 PolarHBondContact N-OD2 3.14Å; R533-D549 WeakPolarHBondContact O-CA 3.34Å; D549-D551 VanDerWaalsContact C-N 3.3Å; D549-D551 PolarHBondContact O-N 3.35Å; D549-D551 PolarHBondContact OD1-N 2.9Å; D549-D551 VanDerWaalsContact OD1-N 3.14Å; D549-N552 HydrophobicContact CB-CB 4.11Å; D549-N552 PolarHBondContact OD1-N 2.94Å; D549-N552 PolarHBondContact OD2-ND2 3.14Å; D549-K553 PolarHBondContact O-N 3.09Å; D549-W554 PolarHBondContact N-O 3.46Å; D549-W554 PolarHBondContact O-N 2.91Å; D549-P576 WeakPolarHBondContact O-CG 3.38Å
550	Y	95.7	Very high	94.5	Very high	30 Å²	30	24.4 Å²	24.4	12%	0.118	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.8	-172.6	-170.7	-83.4	0	0	0	113	R533 G575 P576 K577 N592 K593	R533-Y550 PolarHBondContact O-N 3.45Å; R533-Y550 VanDerWaalsContact O-N 3.1Å; Y550-G575 WeakPolarHBondContact CD2-O 3.4Å; Y550-G575 WeakPolarHBondContact CE2-O 3.48Å; Y550-P576 WeakPolarHBondContact CA-O 3.32Å; Y550-P576 WeakPolarHBondContact CB-O 3.34Å; Y550-P576 WeakPolarHBondContact CD2-O 3.29Å; Y550-K577 HydrophobicContact CD2-CB 4.12Å; Y550-K577 HydrophobicContact CE2-CB 4.39Å; Y550-K577 HydrophobicContact CE2-CD 4.46Å; Y550-N592 HydrophobicContact CE2-CB 3.97Å; Y550-N592 PolarHBondContact OH-OD1 2.81Å; Y550-K593 HydrophobicContact CE1-CD 4.31Å; Y550-K593 VanDerWaalsContact OH-CE 3.32Å; Y550-K593 WeakPolarHBondContact OH-CE 3.49Å
551	D	94.6	Very high	94.2	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-24.7	-172.9	-78.7	18.9	0	0	0	112.5	R526 Q532 R533 D549	R526-D551 PolarHBondContact NH1-O 2.88Å; R526-D551 VanDerWaalsContact NH1-O 3.1Å; Q532-D551 HydrophobicContact CB-CB 4.09Å; Q532-D551 HydrophobicContact CG-CB 3.52Å; R533-D551 HydrophobicContact CB-CB 3.69Å; R533-D551 VanDerWaalsContact CB-CG 3.45Å; R533-D551 WeakPolarHBondContact CD-OD1 3.12Å; R533-D551 IonicContact NE-OD1 2.65Å; R533-D551 PolarHBondContact NE-OD1 2.98Å; D549-D551 VanDerWaalsContact C-N 3.3Å; D549-D551 PolarHBondContact O-N 3.35Å; D549-D551 PolarHBondContact OD1-N 2.9Å; D549-D551 VanDerWaalsContact OD1-N 3.14Å
552	N	94.3	Very high	94.1	Very high	14 Å²	14	24.2 Å²	24.2	8%	0.075	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.9	167.8	-72.6	-31.4	0	0	0	113.2	G525 R526 Q532 D549 W554	G525-N552 PolarHBondContact O-ND2 3.13Å; R526-N552 WeakPolarHBondContact CA-OD1 3.37Å; R526-N552 WeakPolarHBondContact CG-OD1 3.41Å; R526-N552 PolarHBondContact NH1-OD1 2.92Å; Q532-N552 VanDerWaalsContact CB-ND2 3.34Å; Q532-N552 WeakPolarHBondContact CB-ND2 3.3Å; Q532-N552 PolarHBondContact N-ND2 3.43Å; D549-N552 HydrophobicContact CB-CB 4.11Å; D549-N552 PolarHBondContact OD1-N 2.94Å; D549-N552 PolarHBondContact OD2-ND2 3.14Å; N552-W554 VanDerWaalsContact C-N 3.34Å; N552-W554 HydrophobicContact CB-CD2 4.17Å; N552-W554 HydrophobicContact CB-CZ2 4.11Å; N552-W554 VanDerWaalsContact O-CE3 3.3Å; N552-W554 PolarHBondContact O-N 2.85Å
553	K	95.8	Very high	94.2	Very high	89 Å²	89	28 Å²	28	39%	0.387	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	41.2	175.1	-51.7	179.5	178.9	179.1	0	113.6	D549	D549-K553 PolarHBondContact O-N 3.09Å
554	W	95.4	Very high	94.4	Very high	24 Å²	24	31.1 Å²	31.1	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	166.7	171	58	59.3	0	0	0	111.1	R526 D549 N552 S556 K567 V568	R526-W554 VanDerWaalsContact O-CH2 3.27Å; R526-W554 WeakPolarHBondContact O-CH2 3.43Å; D549-W554 PolarHBondContact N-O 3.46Å; D549-W554 PolarHBondContact O-N 2.91Å; N552-W554 VanDerWaalsContact C-N 3.34Å; N552-W554 HydrophobicContact CB-CD2 4.17Å; N552-W554 HydrophobicContact CB-CZ2 4.11Å; N552-W554 VanDerWaalsContact O-CE3 3.3Å; N552-W554 PolarHBondContact O-N 2.85Å; W554-S556 VanDerWaalsContact CD1-OG 3.3Å; W554-S556 PolarHBondContact NE1-OG 3.3Å; W554-K567 HydrophobicContact CD2-CD 3.67Å; W554-K567 HydrophobicContact CE3-CD 3.84Å; W554-K567 VanDerWaalsContact CE3-NZ 3.34Å; W554-K567 HydrophobicContact CG-CB 4.39Å; W554-K567 HydrophobicContact CG-CD 4.09Å; W554-K567 HydrophobicContact CH2-CD 4.34Å; W554-K567 HydrophobicContact CZ2-CD 4.2Å; W554-K567 HydrophobicContact CZ3-CD 4.19Å; W554-V568 WeakPolarHBondContact CB-O 3.45Å
555	V	96.8	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.2	166.1	175.9	0	0	0	0	108.5	I546 I547 A548 K567 V568 L573 V579 V587 V589	I546-V555 HydrophobicContact CG2-CG1 3.26Å; I547-V555 CarbonylContact O-C 3.34Å; I547-V555 WeakPolarHBondContact O-CA 3.35Å; A548-V555 HydrophobicContact CB-CG2 4.4Å; V555-K567 CarbonylContact O-C 3.54Å; V555-K567 VanDerWaalsContact O-CA 3.28Å; V555-K567 WeakPolarHBondContact O-CA 3.4Å; V555-V568 HydrophobicContact CB-CB 4.47Å; V555-V568 PolarHBondContact N-O 3.04Å; V555-V568 PolarHBondContact O-N 3.2Å; V555-L573 HydrophobicContact CG2-CD1 4.08Å; V555-V579 HydrophobicContact CG1-CG2 4.49Å; V555-V587 HydrophobicContact CG1-CG1 4.28Å; V555-V589 HydrophobicContact CG2-CB 4.38Å; V555-V589 HydrophobicContact CG2-CG1 3.74Å; V555-V589 HydrophobicContact CG2-CG2 3.66Å
556	S	95.8	Very high	94.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.9	177.2	-59.6	0	0	0	0	109.9	I547 W554 F558	I547-S556 PolarHBondContact N-O 2.95Å; I547-S556 PolarHBondContact O-N 3.41Å; W554-S556 VanDerWaalsContact CD1-OG 3.3Å; W554-S556 PolarHBondContact NE1-OG 3.3Å; S556-F558 VanDerWaalsContact CB-CE2 3.45Å
557	I	95.7	Very high	94.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.5	179.7	-54.5	177.6	0	0	0	108	D544 I546 K565 N566 V568 V602	D544-I557 HydrophobicContact CB-CG2 4.15Å; I546-I557 HydrophobicContact CG1-CG1 4.36Å; I546-I557 HydrophobicContact CG1-CG2 4.44Å; I557-K565 PolarHBondContact O-N 3.2Å; I557-N566 PolarHBondContact N-O 3.16Å; I557-N566 PolarHBondContact O-N 3.1Å; I557-V568 HydrophobicContact CD1-CG2 3.74Å; I557-V602 HydrophobicContact CD1-CG1 3.95Å
558	F	95.4	Very high	94.1	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	159.7	178.6	-62.8	-101.1	0	0	0	110.1	F521 M531 D544 I545 I547 S556 G562 K563 F564	F521-F558 HydrophobicContact CD2-CD1 4.03Å; F521-F558 HydrophobicContact CD2-CE1 4.27Å; F521-F558 HydrophobicContact CD2-CG 4.38Å; F521-F558 HydrophobicContact CE2-CB 4.02Å; F521-F558 AromaticContact CE2-CD1 3.84Å; F521-F558 HydrophobicContact CE2-CD1 3.84Å; F521-F558 HydrophobicContact CE2-CD2 4.03Å; F521-F558 HydrophobicContact CE2-CE1 4.27Å; F521-F558 HydrophobicContact CE2-CE2 4.41Å; F521-F558 AromaticContact CE2-CG 3.72Å; F521-F558 HydrophobicContact CE2-CG 3.72Å; M531-F558 HydrophobicContact CE-CZ 4.44Å; M531-F558 HydrophobicContact CG-CZ 4.38Å; M531-F558 HydrophobicContact SD-CE2 4.29Å; M531-F558 HydrophobicContact SD-CZ 4.35Å; D544-F558 CarbonylContact C-O 3.6Å; D544-F558 WeakPolarHBondContact CA-O 3.39Å; D544-F558 WeakPolarHBondContact CB-O 3.48Å; I545-F558 HydrophobicContact CB-CB 4.46Å; I545-F558 PolarHBondContact N-O 3.22Å; I545-F558 PolarHBondContact O-N 3.03Å; I547-F558 HydrophobicContact CD1-CD2 3.74Å; I547-F558 HydrophobicContact CD1-CE2 3.76Å; I547-F558 HydrophobicContact CG1-CD2 4.47Å; S556-F558 VanDerWaalsContact CB-CE2 3.45Å; F558-G562 WeakPolarHBondContact CD1-O 3.4Å; F558-K563 CarbonylContact C-O 3.4Å; F558-K563 WeakPolarHBondContact CA-O 3.09Å; F558-K563 WeakPolarHBondContact CB-O 3.44Å; F558-F564 VanDerWaalsContact CD1-CA 3.5Å; F558-F564 HydrophobicContact CD1-CB 3.94Å; F558-F564 HydrophobicContact CD1-CD2 4.45Å; F558-F564 HydrophobicContact CE1-CB 3.84Å; F558-F564 HydrophobicContact CE1-CD2 4.12Å; F558-F564 HydrophobicContact CE1-CG 4.48Å; F558-F564 HydrophobicContact CE2-CD2 4.5Å; F558-F564 HydrophobicContact CZ-CD2 4.15Å
559	S	93.9	Very high	93.8	Very high	11 Å²	11	42 Å²	42	8%	0.077	20%	0.199	C	C	.	.			trans	-69.6	169.7	168.6	72.9	0	0	0	0	111.7	I545 E561 G562 K563	I545-S559 WeakPolarHBondContact CD1-O 3.41Å; S559-E561 WeakPolarHBondContact CB-OE2 3.34Å; S559-E561 PolarHBondContact O-N 3.09Å; S559-E561 VanDerWaalsContact O-N 3.15Å; S559-E561 PolarHBondContact OG-N 3.44Å; S559-E561 PolarHBondContact OG-OE2 3.33Å; S559-G562 PolarHBondContact O-N 3.48Å; S559-K563 PolarHBondContact N-O 3.02Å; S559-K563 PolarHBondContact OG-N 2.81Å
560	N	89.9	Confident	93.5	Very high	62 Å²	62	44.9 Å²	44.9	33%	0.332	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.6	169	52.8	-65.3	0	0	0	114.4	G543	G543-N560 WeakPolarHBondContact O-CB 3.26Å
561	E	87.2	Confident	93.1	Very high	111 Å²	111	47.2 Å²	47.2	52%	0.519	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1	169.4	-45.8	79.2	-161.8	0	0	113.9	S559	S559-E561 WeakPolarHBondContact CB-OE2 3.34Å; S559-E561 PolarHBondContact O-N 3.09Å; S559-E561 VanDerWaalsContact O-N 3.15Å; S559-E561 PolarHBondContact OG-N 3.44Å; S559-E561 PolarHBondContact OG-OE2 3.33Å
562	G	88.8	Confident	93	Very high	11 Å²	11	49.8 Å²	49.8	11%	0.113	26%	0.261	C	S	.	.	S	Bend	trans	83.4	18.8	-177.8	0	0	0	0	0	115.2	F521 F558 S559	F521-G562 WeakPolarHBondContact CD2-O 3.35Å; F558-G562 WeakPolarHBondContact CD1-O 3.4Å; S559-G562 PolarHBondContact O-N 3.48Å
563	K	92.4	Very high	93.1	Very high	149 Å²	149	49.2 Å²	49.2	65%	0.648	26%	0.258	S	S	*	.			trans	-81.9	132.9	171.8	-64.3	176.6	-179.8	172.4	0	110.1	F558 S559	F558-K563 CarbonylContact C-O 3.4Å; F558-K563 WeakPolarHBondContact CA-O 3.09Å; F558-K563 WeakPolarHBondContact CB-O 3.44Å; S559-K563 PolarHBondContact N-O 3.02Å; S559-K563 PolarHBondContact OG-N 2.81Å
564	F	94.7	Very high	93	Very high	74 Å²	74	49.8 Å²	49.8	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.1	179.8	178.4	-105.8	0	0	0	111.8	P528 G529 F558 N566 K567	P528-F564 HydrophobicContact CB-CD1 4.49Å; P528-F564 HydrophobicContact CB-CE1 3.62Å; P528-F564 HydrophobicContact CB-CZ 3.66Å; G529-F564 VanDerWaalsContact CA-CD2 3.43Å; F558-F564 VanDerWaalsContact CD1-CA 3.5Å; F558-F564 HydrophobicContact CD1-CB 3.94Å; F558-F564 HydrophobicContact CD1-CD2 4.45Å; F558-F564 HydrophobicContact CE1-CB 3.84Å; F558-F564 HydrophobicContact CE1-CD2 4.12Å; F558-F564 HydrophobicContact CE1-CG 4.48Å; F558-F564 HydrophobicContact CE2-CD2 4.5Å; F558-F564 HydrophobicContact CZ-CD2 4.15Å; F564-N566 VanDerWaalsContact CE2-C 3.5Å; F564-N566 WeakPolarHBondContact CE2-O 3.46Å; F564-N566 WeakPolarHBondContact CZ-O 3.28Å; F564-K567 HydrophobicContact CE2-CB 4.33Å; F564-K567 HydrophobicContact CZ-CB 4.1Å; F564-K567 HydrophobicContact CZ-CG 4.46Å
565	K	94	Very high	93	Very high	116 Å²	116	48.6 Å²	48.6	50%	0.504	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-55.1	178.5	-60.6	178.5	76.4	175.7	0	112.1	D544 I557	D544-K565 WeakPolarHBondContact OD1-CD 3.28Å; D544-K565 WeakPolarHBondContact OD1-CE 3.4Å; D544-K565 IonicContact OD1-NZ 3.73Å; D544-K565 PolarHBondContact OD1-NZ 3.42Å; D544-K565 IonicContact OD2-NZ 3.55Å; D544-K565 PolarHBondContact OD2-NZ 3.3Å; I557-K565 PolarHBondContact O-N 3.2Å
566	N	93.5	Very high	93	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	166.3	-175.1	-166	16.8	0	0	0	112	I557 F564	I557-N566 PolarHBondContact N-O 3.16Å; I557-N566 PolarHBondContact O-N 3.1Å; F564-N566 VanDerWaalsContact CE2-C 3.5Å; F564-N566 WeakPolarHBondContact CE2-O 3.46Å; F564-N566 WeakPolarHBondContact CZ-O 3.28Å
567	K	93.9	Very high	93	Very high	57 Å²	57	50 Å²	50	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.8	168.3	63.8	163	-177.4	164.4	0	112.4	P528 W554 V555 F564 S570	P528-K567 HydrophobicContact CG-CD 4.39Å; W554-K567 HydrophobicContact CD2-CD 3.67Å; W554-K567 HydrophobicContact CE3-CD 3.84Å; W554-K567 VanDerWaalsContact CE3-NZ 3.34Å; W554-K567 HydrophobicContact CG-CB 4.39Å; W554-K567 HydrophobicContact CG-CD 4.09Å; W554-K567 HydrophobicContact CH2-CD 4.34Å; W554-K567 HydrophobicContact CZ2-CD 4.2Å; W554-K567 HydrophobicContact CZ3-CD 4.19Å; V555-K567 CarbonylContact O-C 3.54Å; V555-K567 VanDerWaalsContact O-CA 3.28Å; V555-K567 WeakPolarHBondContact O-CA 3.4Å; F564-K567 HydrophobicContact CE2-CB 4.33Å; F564-K567 HydrophobicContact CZ-CB 4.1Å; F564-K567 HydrophobicContact CZ-CG 4.46Å; K567-S570 PolarHBondContact NZ-OG 3.45Å
568	V	95.1	Very high	93	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147	-172.2	173.3	0	0	0	0	110.5	W554 V555 I557 S570 F600	W554-V568 WeakPolarHBondContact CB-O 3.45Å; V555-V568 HydrophobicContact CB-CB 4.47Å; V555-V568 PolarHBondContact N-O 3.04Å; V555-V568 PolarHBondContact O-N 3.2Å; I557-V568 HydrophobicContact CD1-CG2 3.74Å; V568-S570 PolarHBondContact O-N 3.48Å; V568-F600 HydrophobicContact CG1-CB 3.5Å; V568-F600 VanDerWaalsContact CG1-CB 3.5Å; V568-F600 HydrophobicContact CG1-CD1 3.61Å; V568-F600 HydrophobicContact CG1-CD2 3.79Å; V568-F600 HydrophobicContact CG1-CE1 4.21Å; V568-F600 HydrophobicContact CG1-CE2 4.36Å; V568-F600 HydrophobicContact CG1-CG 3.37Å
569	G	91.2	Very high	93.1	Very high	7 Å²	7	50 Å²	50	7%	0.072	27%	0.265	C	S	.	.	S	Bend	trans	72.2	3.8	175.9	0	0	0	0	0	116.2	G571 K572 L573	G569-G571 PolarHBondContact O-N 2.98Å; G569-G571 VanDerWaalsContact O-N 3.16Å; G569-K572 PolarHBondContact O-N 2.82Å; G569-L573 PolarHBondContact O-N 3Å
570	S	90.2	Very high	93.2	Very high	59 Å²	59	49.8 Å²	49.8	41%	0.413	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	117.5	174.1	-175.2	0	0	0	0	111.2	K567 V568 K572	K567-S570 PolarHBondContact NZ-OG 3.45Å; V568-S570 PolarHBondContact O-N 3.48Å; S570-K572 VanDerWaalsContact C-N 3.3Å; S570-K572 PolarHBondContact O-N 2.9Å
571	G	87.2	Confident	93.5	Very high	79 Å²	79	48 Å²	48	81%	0.814	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-2.7	-178.2	0	0	0	0	0	115.7	G569	G569-G571 PolarHBondContact O-N 2.98Å; G569-G571 VanDerWaalsContact O-N 3.16Å
572	K	92	Very high	93.8	Very high	108 Å²	108	43 Å²	43	47%	0.47	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-31.7	171	-64.5	-179.5	178.2	179.4	0	112.3	G569 S570 F598 F600	G569-K572 PolarHBondContact O-N 2.82Å; S570-K572 VanDerWaalsContact C-N 3.3Å; S570-K572 PolarHBondContact O-N 2.9Å; K572-F598 WeakPolarHBondContact O-CZ 3.45Å; K572-F600 HydrophobicContact CD-CE1 4.2Å
573	L	95.4	Very high	93.7	Very high	3 Å²	3	50 Å²	50	2%	0.016	26%	0.255	C	S	.	.			trans	-87.1	151.9	175.9	-63.1	168.2	0	0	0	110.7	V555 G569 P576 V589 D591 F598 F600	V555-L573 HydrophobicContact CG2-CD1 4.08Å; G569-L573 PolarHBondContact O-N 3Å; L573-P576 HydrophobicContact CB-CG 4.26Å; L573-P576 HydrophobicContact CD1-CB 4.11Å; L573-P576 HydrophobicContact CD1-CG 4.22Å; L573-P576 HydrophobicContact CD2-CB 4.44Å; L573-V589 HydrophobicContact CD1-CG1 4.03Å; L573-V589 HydrophobicContact CD2-CB 4.4Å; L573-V589 HydrophobicContact CD2-CG1 3.9Å; L573-D591 WeakPolarHBondContact CA-OD2 3.47Å; L573-D591 HydrophobicContact CD2-CB 4.15Å; L573-F598 HydrophobicContact CD2-CB 4.41Å; L573-F598 HydrophobicContact CD2-CD2 3.59Å; L573-F598 HydrophobicContact CD2-CE2 3.86Å; L573-F598 HydrophobicContact CD2-CG 4.01Å; L573-F598 HydrophobicContact CD2-CZ 4.48Å; L573-F600 HydrophobicContact CD1-CE2 4.33Å; L573-F600 HydrophobicContact CD2-CE2 4.28Å; L573-F600 HydrophobicContact CG-CE2 4.44Å; L573-F600 HydrophobicContact CG-CZ 4.41Å
574	M	95.4	Very high	93.6	Very high	100 Å²	100	47.9 Å²	47.9	49%	0.493	25%	0.251	S	S	.	.	S	Bend	trans	-124.7	-29.6	-173.9	-71.9	-66.5	-82.1	0	0	113	D591 K593	M574-D591 PolarHBondContact N-OD2 3.48Å; M574-K593 HydrophobicContact CB-CB 4Å; M574-K593 WeakPolarHBondContact O-CD 3.48Å
575	G	95.1	Very high	93.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-169.8	66.7	176.8	0	0	0	0	0	110.7	Y550 K577 D591 N592	Y550-G575 WeakPolarHBondContact CD2-O 3.4Å; Y550-G575 WeakPolarHBondContact CE2-O 3.48Å; G575-K577 PolarHBondContact O-N 3.23Å; G575-D591 VanDerWaalsContact N-CG 3.35Å; G575-D591 PolarHBondContact N-OD1 3.37Å; G575-D591 VanDerWaalsContact N-OD1 3.09Å; G575-D591 PolarHBondContact N-OD2 2.85Å; G575-N592 PolarHBondContact O-N 3.44Å
576	P	96.7	Very high	93.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.9	179.4	29.5	-34.5	0	0	0	109.6	T535 A548 D549 Y550 L573 V589	T535-P576 PolarHBondContact OG1-O 3.48Å; A548-P576 HydrophobicContact CB-CB 4.24Å; D549-P576 WeakPolarHBondContact O-CG 3.38Å; Y550-P576 WeakPolarHBondContact CA-O 3.32Å; Y550-P576 WeakPolarHBondContact CB-O 3.34Å; Y550-P576 WeakPolarHBondContact CD2-O 3.29Å; L573-P576 HydrophobicContact CB-CG 4.26Å; L573-P576 HydrophobicContact CD1-CB 4.11Å; L573-P576 HydrophobicContact CD1-CG 4.22Å; L573-P576 HydrophobicContact CD2-CB 4.44Å; P576-V589 HydrophobicContact CB-CG1 3.64Å
577	K	95.8	Very high	93.7	Very high	28 Å²	28	38.1 Å²	38.1	12%	0.122	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-53.5	-173.1	-170.2	167.4	-178.7	172.1	0	112	T535 G536 Y550 G575 V590 N592 H624	T535-K577 PolarHBondContact OG1-O 2.76Å; G536-K577 WeakPolarHBondContact CA-O 3.47Å; G536-K577 PolarHBondContact N-O 3.13Å; Y550-K577 HydrophobicContact CD2-CB 4.12Å; Y550-K577 HydrophobicContact CE2-CB 4.39Å; Y550-K577 HydrophobicContact CE2-CD 4.46Å; G575-K577 PolarHBondContact O-N 3.23Å; K577-V590 PolarHBondContact N-O 3.45Å; K577-N592 HydrophobicContact CB-CB 3.98Å; K577-N592 HydrophobicContact CD-CB 4.16Å; K577-H624 PolarHBondContact NZ-CD2 3.36Å; K577-H624 VanDerWaalsContact NZ-CD2 3.35Å; K577-H624 PolarHBondContact NZ-CE1 3.46Å; K577-H624 PolarHBondContact NZ-NE2 3.05Å
578	G	95.9	Very high	93.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147	171.6	0	0	0	0	0	111.6	V590 H624	G578-V590 PolarHBondContact N-O 2.94Å; G578-V590 PolarHBondContact O-N 2.86Å; G578-H624 WeakPolarHBondContact CA-O 3.29Å; G578-H624 PolarHBondContact N-O 2.84Å
579	V	97.1	Very high	93.9	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.6	163.9	64.3	0	0	0	0	109.7	A538 I546 A548 V555 V587 I588 V589	A538-V579 HydrophobicContact CB-CG1 4.11Å; I546-V579 HydrophobicContact CG2-CG2 3.76Å; A548-V579 HydrophobicContact CB-CB 4.2Å; A548-V579 HydrophobicContact CB-CG1 4.19Å; V555-V579 HydrophobicContact CG1-CG2 4.49Å; V579-V587 HydrophobicContact CG2-CG1 3.71Å; V579-I588 CarbonylContact C-O 3.34Å; V579-I588 VanDerWaalsContact CA-O 3.28Å; V579-I588 WeakPolarHBondContact CA-O 3.25Å; V579-V589 HydrophobicContact CG2-CG2 4.43Å
580	A	96.5	Very high	94.2	Very high	7 Å²	7	35 Å²	35	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.2	174.2	0	0	0	0	0	109.5	I588 V628	A580-I588 HydrophobicContact CB-CB 4.47Å; A580-I588 PolarHBondContact N-O 3.48Å; A580-I588 PolarHBondContact O-N 3.28Å; A580-V628 HydrophobicContact CB-CG2 4.05Å
581	V	94.8	Very high	94.6	Very high	26 Å²	26	32.1 Å²	32.1	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135	176.7	-170.6	0	0	0	0	108.6	A538 I546 H586	A538-V581 HydrophobicContact CB-CG2 4.08Å; I546-V581 HydrophobicContact CD1-CG2 4.04Å; V581-H586 VanDerWaalsContact CA-O 3.28Å; V581-H586 WeakPolarHBondContact CA-O 3.39Å; V581-H586 WeakPolarHBondContact CG1-O 3.5Å
582	D	92.9	Very high	95	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.027	14%	0.14	C	C	.	.			trans	-81.8	174.6	173.5	81	-6.6	0	0	0	111.9	N584 G585 H586 I588 V628	D582-N584 PolarHBondContact O-N 2.88Å; D582-N584 VanDerWaalsContact OD1-C 3.3Å; D582-N584 VanDerWaalsContact OD1-CA 3.29Å; D582-N584 WeakPolarHBondContact OD1-CA 3.4Å; D582-N584 WeakPolarHBondContact OD1-CB 3.48Å; D582-N584 PolarHBondContact OD1-N 3.34Å; D582-N584 PolarHBondContact OD2-ND2 3.08Å; D582-G585 PolarHBondContact O-N 3.09Å; D582-G585 PolarHBondContact OD1-N 3.11Å; D582-H586 PolarHBondContact N-O 2.84Å; D582-H586 VanDerWaalsContact N-O 3.1Å; D582-H586 WeakPolarHBondContact OD1-CB 3.49Å; D582-H586 IonicContact OD1-CG 2.83Å; D582-H586 PolarHBondContact OD1-N 3Å; D582-H586 IonicContact OD1-ND1 2.64Å; D582-H586 IonicContact OD2-CE1 2.74Å; D582-H586 IonicContact OD2-CG 3.69Å; D582-H586 IonicContact OD2-ND1 3.4Å; D582-H586 PolarHBondContact OD2-ND1 3.48Å; D582-I588 HydrophobicContact CB-CD1 4Å; D582-V628 HydrophobicContact CB-CG1 4.21Å
583	R	88.6	Confident	95.1	Very high	158 Å²	158	30.1 Å²	30.1	60%	0.596	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13	177.8	-64.7	173.8	160.6	-124.6	-0.6	113.5	N630 N632	R583-N630 WeakPolarHBondContact CD-O 3.29Å; R583-N630 PolarHBondContact NE-O 2.99Å; R583-N630 VanDerWaalsContact NH2-CG 3.33Å; R583-N630 PolarHBondContact NH2-OD1 3.26Å; R583-N632 WeakPolarHBondContact CB-OD1 3.36Å; R583-N632 WeakPolarHBondContact CG-OD1 3.43Å; R583-N632 PolarHBondContact N-OD1 3.21Å
584	N	89.4	Confident	95	Very high	104 Å²	104	31.4 Å²	31.4	56%	0.556	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.5	177.8	-47.2	-58.8	0	0	0	112.6	D582 N632	D582-N584 PolarHBondContact O-N 2.88Å; D582-N584 VanDerWaalsContact OD1-C 3.3Å; D582-N584 VanDerWaalsContact OD1-CA 3.29Å; D582-N584 WeakPolarHBondContact OD1-CA 3.4Å; D582-N584 WeakPolarHBondContact OD1-CB 3.48Å; D582-N584 PolarHBondContact OD1-N 3.34Å; D582-N584 PolarHBondContact OD2-ND2 3.08Å; N584-N632 PolarHBondContact ND2-ND2 3.3Å
585	G	91.6	Very high	95	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	13%	0.133	C	C	.	.			trans	86.5	10.9	-176.2	0	0	0	0	0	114.9	H540 D582 V602	H540-G585 WeakPolarHBondContact NE2-CA 3.45Å; H540-G585 PolarHBondContact NE2-O 3.32Å; D582-G585 PolarHBondContact O-N 3.09Å; D582-G585 PolarHBondContact OD1-N 3.11Å; G585-V602 WeakPolarHBondContact O-CG2 3.48Å
586	H	95.3	Very high	95.1	Very high	43 Å²	43	27.3 Å²	27.3	20%	0.199	13%	0.134	C	C	.	.			trans	-72.7	137.2	172.3	-58.7	123.1	0	0	0	111.5	V581 D582 I599 F600	V581-H586 VanDerWaalsContact CA-O 3.28Å; V581-H586 WeakPolarHBondContact CA-O 3.39Å; V581-H586 WeakPolarHBondContact CG1-O 3.5Å; D582-H586 PolarHBondContact N-O 2.84Å; D582-H586 VanDerWaalsContact N-O 3.1Å; D582-H586 WeakPolarHBondContact OD1-CB 3.49Å; D582-H586 IonicContact OD1-CG 2.83Å; D582-H586 PolarHBondContact OD1-N 3Å; D582-H586 IonicContact OD1-ND1 2.64Å; D582-H586 IonicContact OD2-CE1 2.74Å; D582-H586 IonicContact OD2-CG 3.69Å; D582-H586 IonicContact OD2-ND1 3.4Å; D582-H586 PolarHBondContact OD2-ND1 3.48Å; H586-I599 HydrophobicContact CB-CG2 3.69Å; H586-F600 CarbonylContact C-O 3.57Å; H586-F600 WeakPolarHBondContact CA-O 3.44Å
587	V	96.6	Very high	95.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108	179	-172.5	0	0	0	0	109.1	I546 V555 V579 V589 F600 V602	I546-V587 HydrophobicContact CD1-CG1 4.31Å; I546-V587 HydrophobicContact CD1-CG2 3.57Å; I546-V587 HydrophobicContact CG2-CG1 3.78Å; V555-V587 HydrophobicContact CG1-CG1 4.28Å; V579-V587 HydrophobicContact CG2-CG1 3.71Å; V587-V589 HydrophobicContact CG1-CG2 3.98Å; V587-F600 HydrophobicContact CB-CB 4.45Å; V587-F600 PolarHBondContact N-O 3.13Å; V587-F600 PolarHBondContact O-N 2.9Å; V587-V602 HydrophobicContact CG2-CG2 4.39Å
588	I	97.3	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	179.9	-67.1	154.6	0	0	0	108.5	V579 A580 D582 V597 I599 A626 V628 I634	V579-I588 CarbonylContact C-O 3.34Å; V579-I588 VanDerWaalsContact CA-O 3.28Å; V579-I588 WeakPolarHBondContact CA-O 3.25Å; A580-I588 HydrophobicContact CB-CB 4.47Å; A580-I588 PolarHBondContact N-O 3.48Å; A580-I588 PolarHBondContact O-N 3.28Å; D582-I588 HydrophobicContact CB-CD1 4Å; I588-V597 HydrophobicContact CG2-CG1 3.75Å; I588-I599 HydrophobicContact CG1-CG1 4.17Å; I588-I599 HydrophobicContact CG1-CG2 4.27Å; I588-A626 HydrophobicContact CG2-CB 4.49Å; I588-V628 HydrophobicContact CD1-CG2 3.47Å; I588-V628 VanDerWaalsContact CD1-CG2 3.47Å; I588-I634 HydrophobicContact CD1-CD1 3.74Å; I588-I634 HydrophobicContact CD1-CG1 3.89Å; I588-I634 HydrophobicContact CG1-CD1 4.06Å; I588-I634 HydrophobicContact CG2-CD1 4.29Å; I588-I634 HydrophobicContact CG2-CG2 3.83Å
589	V	97.6	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.1	-171.7	-169.6	0	0	0	0	110	V555 L573 P576 V579 V587 V597 F598 F600	V555-V589 HydrophobicContact CG2-CB 4.38Å; V555-V589 HydrophobicContact CG2-CG1 3.74Å; V555-V589 HydrophobicContact CG2-CG2 3.66Å; L573-V589 HydrophobicContact CD1-CG1 4.03Å; L573-V589 HydrophobicContact CD2-CB 4.4Å; L573-V589 HydrophobicContact CD2-CG1 3.9Å; P576-V589 HydrophobicContact CB-CG1 3.64Å; V579-V589 HydrophobicContact CG2-CG2 4.43Å; V587-V589 HydrophobicContact CG1-CG2 3.98Å; V589-V597 WeakPolarHBondContact O-CA 3.39Å; V589-F598 PolarHBondContact N-O 3.18Å; V589-F598 PolarHBondContact O-N 2.91Å; V589-F600 HydrophobicContact CB-CE2 4.42Å; V589-F600 HydrophobicContact CG2-CD2 3.85Å; V589-F600 HydrophobicContact CG2-CE2 4.04Å
590	V	97.6	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.6	175.4	-178.6	0	0	0	0	108.7	K577 G578 V597 P623 A626 V636	K577-V590 PolarHBondContact N-O 3.45Å; G578-V590 PolarHBondContact N-O 2.94Å; G578-V590 PolarHBondContact O-N 2.86Å; V590-V597 HydrophobicContact CG2-CG2 4.46Å; V590-P623 HydrophobicContact CG1-CB 3.61Å; V590-P623 HydrophobicContact CG1-CG 3.89Å; V590-A626 HydrophobicContact CG2-CB 3.45Å; V590-A626 VanDerWaalsContact CG2-CB 3.45Å; V590-V636 HydrophobicContact CG1-CG1 4.39Å; V590-V636 HydrophobicContact CG2-CG1 4.24Å
591	D	97.1	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	106.4	176.3	-162.6	-62.5	0	0	0	111.2	L573 M574 G575 K593 A594 C595 C596 F598	L573-D591 WeakPolarHBondContact CA-OD2 3.47Å; L573-D591 HydrophobicContact CD2-CB 4.15Å; M574-D591 PolarHBondContact N-OD2 3.48Å; G575-D591 VanDerWaalsContact N-CG 3.35Å; G575-D591 PolarHBondContact N-OD1 3.37Å; G575-D591 VanDerWaalsContact N-OD1 3.09Å; G575-D591 PolarHBondContact N-OD2 2.85Å; D591-K593 VanDerWaalsContact C-N 3.34Å; D591-K593 PolarHBondContact O-N 3.17Å; D591-K593 PolarHBondContact OD1-N 2.99Å; D591-A594 HydrophobicContact CB-CB 4Å; D591-A594 WeakPolarHBondContact OD1-CB 3.17Å; D591-A594 PolarHBondContact OD1-N 3.02Å; D591-C595 WeakPolarHBondContact O-CA 3.31Å; D591-C595 PolarHBondContact O-N 2.89Å; D591-C596 PolarHBondContact N-O 3.11Å; D591-C596 PolarHBondContact O-N 2.95Å; D591-F598 HydrophobicContact CB-CD2 4.09Å; D591-F598 HydrophobicContact CB-CE2 3.79Å
592	N	95.3	Very high	94.8	Very high	23 Å²	23	30.3 Å²	30.3	12%	0.123	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.8	-176.4	172.8	-112.8	0	0	0	112.7	Y550 G575 K577 G622 P623 H624	Y550-N592 HydrophobicContact CE2-CB 3.97Å; Y550-N592 PolarHBondContact OH-OD1 2.81Å; G575-N592 PolarHBondContact O-N 3.44Å; K577-N592 HydrophobicContact CB-CB 3.98Å; K577-N592 HydrophobicContact CD-CB 4.16Å; N592-G622 PolarHBondContact ND2-O 2.91Å; N592-P623 WeakPolarHBondContact CA-O 3.44Å; N592-P623 WeakPolarHBondContact CB-O 3.4Å; N592-P623 PolarHBondContact ND2-O 2.95Å; N592-H624 PolarHBondContact ND2-CD2 3.26Å
593	K	94.5	Very high	94.6	Very high	122 Å²	122	35.1 Å²	35.1	53%	0.53	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-33.8	-179.7	-78.2	-177.9	172.3	170.7	0	112.8	Y550 M574 D591 C595	Y550-K593 HydrophobicContact CE1-CD 4.31Å; Y550-K593 VanDerWaalsContact OH-CE 3.32Å; Y550-K593 WeakPolarHBondContact OH-CE 3.49Å; M574-K593 HydrophobicContact CB-CB 4Å; M574-K593 WeakPolarHBondContact O-CD 3.48Å; D591-K593 VanDerWaalsContact C-N 3.34Å; D591-K593 PolarHBondContact O-N 3.17Å; D591-K593 PolarHBondContact OD1-N 2.99Å; K593-C595 VanDerWaalsContact C-N 3.31Å
594	A	94.4	Very high	94.6	Very high	29 Å²	29	28.8 Å²	28.8	24%	0.24	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.4	172.3	0	0	0	0	0	112.7	D591 C596 F598	D591-A594 HydrophobicContact CB-CB 4Å; D591-A594 WeakPolarHBondContact OD1-CB 3.17Å; D591-A594 PolarHBondContact OD1-N 3.02Å; A594-C596 VanDerWaalsContact C-N 3.29Å; A594-C596 HydrophobicContact CB-CB 4.12Å; A594-C596 PolarHBondContact O-SG 2.85Å; A594-F598 HydrophobicContact CB-CE2 4.27Å
595	C	95.8	Very high	94.8	Very high	10 Å²	10	30.2 Å²	30.2	7%	0.068	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	45.2	-167.9	-63	0	0	0	0	111.6	D591 K593 G611 N612 R613 F620	D591-C595 WeakPolarHBondContact O-CA 3.31Å; D591-C595 PolarHBondContact O-N 2.89Å; K593-C595 VanDerWaalsContact C-N 3.31Å; C595-G611 CarbonylContact O-C 3.56Å; C595-N612 CarbonylContact O-C 3.43Å; C595-N612 WeakPolarHBondContact O-CA 3.29Å; C595-N612 PolarHBondContact O-N 3.05Å; C595-R613 HydrophobicContact CB-CB 3.94Å; C595-F620 HydrophobicContact CB-CB 4.35Å
596	C	96.2	Very high	94.9	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.9	-176.3	-58.3	0	0	0	0	111.1	D591 A594 F598 K609 F610 G611	D591-C596 PolarHBondContact N-O 3.11Å; D591-C596 PolarHBondContact O-N 2.95Å; A594-C596 VanDerWaalsContact C-N 3.29Å; A594-C596 HydrophobicContact CB-CB 4.12Å; A594-C596 PolarHBondContact O-SG 2.85Å; C596-F598 HydrophobicContact CB-CD2 4.26Å; C596-F598 HydrophobicContact CB-CE2 3.81Å; C596-F598 HydrophobicContact CB-CZ 4.41Å; C596-K609 HydrophobicContact CB-CG 4.42Å; C596-K609 WeakPolarHBondContact SG-CE 3.12Å; C596-K609 PolarHBondContact SG-NZ 3.26Å; C596-F610 CarbonylContact C-O 3.56Å; C596-F610 VanDerWaalsContact CA-O 3.32Å; C596-F610 WeakPolarHBondContact CA-O 3.41Å; C596-F610 WeakPolarHBondContact CB-O 3.34Å; C596-G611 PolarHBondContact SG-O 3.03Å
597	V	97.3	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137	163.7	-176.6	0	0	0	0	108.6	I588 V589 V590 K609 F610 F620 V636	I588-V597 HydrophobicContact CG2-CG1 3.75Å; V589-V597 WeakPolarHBondContact O-CA 3.39Å; V590-V597 HydrophobicContact CG2-CG2 4.46Å; V597-K609 WeakPolarHBondContact O-CA 3.5Å; V597-F610 HydrophobicContact CB-CD1 4.2Å; V597-F610 HydrophobicContact CB-CD2 4.24Å; V597-F610 HydrophobicContact CB-CE1 3.76Å; V597-F610 HydrophobicContact CB-CE2 3.79Å; V597-F610 HydrophobicContact CB-CG 4.44Å; V597-F610 HydrophobicContact CB-CZ 3.55Å; V597-F610 HydrophobicContact CG1-CE1 3.73Å; V597-F610 HydrophobicContact CG1-CE2 4.37Å; V597-F610 HydrophobicContact CG1-CZ 3.64Å; V597-F610 HydrophobicContact CG2-CE2 3.87Å; V597-F610 HydrophobicContact CG2-CZ 3.96Å; V597-F610 PolarHBondContact N-O 3.27Å; V597-F610 PolarHBondContact O-N 3.43Å; V597-F620 HydrophobicContact CG2-CE2 3.94Å; V597-F620 HydrophobicContact CG2-CZ 3.96Å; V597-V636 HydrophobicContact CG2-CG1 4.44Å; V597-V636 HydrophobicContact CG2-CG2 4.15Å
598	F	97	Very high	94.7	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	176.5	-64.9	-103.6	0	0	0	109.6	K572 L573 V589 D591 A594 C596 F600 L606 K609	K572-F598 WeakPolarHBondContact O-CZ 3.45Å; L573-F598 HydrophobicContact CD2-CB 4.41Å; L573-F598 HydrophobicContact CD2-CD2 3.59Å; L573-F598 HydrophobicContact CD2-CE2 3.86Å; L573-F598 HydrophobicContact CD2-CG 4.01Å; L573-F598 HydrophobicContact CD2-CZ 4.48Å; V589-F598 PolarHBondContact N-O 3.18Å; V589-F598 PolarHBondContact O-N 2.91Å; D591-F598 HydrophobicContact CB-CD2 4.09Å; D591-F598 HydrophobicContact CB-CE2 3.79Å; A594-F598 HydrophobicContact CB-CE2 4.27Å; C596-F598 HydrophobicContact CB-CD2 4.26Å; C596-F598 HydrophobicContact CB-CE2 3.81Å; C596-F598 HydrophobicContact CB-CZ 4.41Å; F598-F600 HydrophobicContact CB-CD2 4.1Å; F598-F600 HydrophobicContact CB-CE2 3.42Å; F598-F600 VanDerWaalsContact CB-CE2 3.42Å; F598-F600 HydrophobicContact CB-CZ 3.94Å; F598-F600 HydrophobicContact CD1-CZ 4.2Å; F598-F600 HydrophobicContact CG-CE2 4.21Å; F598-F600 HydrophobicContact CG-CZ 4.34Å; F598-L606 HydrophobicContact CB-CD1 4.1Å; F598-L606 HydrophobicContact CD1-CD1 3.86Å; F598-L606 HydrophobicContact CG-CD1 4.5Å; F598-K609 HydrophobicContact CD1-CB 4.16Å; F598-K609 HydrophobicContact CD1-CD 4.17Å; F598-K609 HydrophobicContact CD1-CG 3.75Å; F598-K609 HydrophobicContact CE1-CD 3.68Å; F598-K609 HydrophobicContact CE1-CG 3.77Å; F598-K609 HydrophobicContact CG-CG 4.2Å; F598-K609 HydrophobicContact CZ-CD 4.05Å; F598-K609 HydrophobicContact CZ-CG 4.24Å
599	I	96.4	Very high	94.6	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.3	174.8	-50.9	-172.9	0	0	0	108.4	H586 I588 L606 V607 T608 F610 I634 T649	H586-I599 HydrophobicContact CB-CG2 3.69Å; I588-I599 HydrophobicContact CG1-CG1 4.17Å; I588-I599 HydrophobicContact CG1-CG2 4.27Å; I599-L606 WeakPolarHBondContact O-CD1 3.27Å; I599-V607 HydrophobicContact CB-CB 4.4Å; I599-V607 HydrophobicContact CG2-CB 4.23Å; I599-V607 HydrophobicContact CG2-CG2 4.49Å; I599-V607 PolarHBondContact O-N 3.31Å; I599-T608 PolarHBondContact N-O 2.78Å; I599-T608 PolarHBondContact O-N 2.8Å; I599-F610 HydrophobicContact CD1-CE1 4.21Å; I599-F610 HydrophobicContact CG1-CE1 4.37Å; I599-I634 HydrophobicContact CD1-CD1 3.64Å; I599-I634 HydrophobicContact CG1-CD1 4.37Å; I599-T649 VanDerWaalsContact CD1-O 3.25Å; I599-T649 WeakPolarHBondContact CD1-O 3.44Å
600	F	96	Very high	94.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.1	178.9	-62.6	-89.2	0	0	0	112	V568 K572 L573 H586 V587 V589 F598 K605 L606	V568-F600 HydrophobicContact CG1-CB 3.5Å; V568-F600 VanDerWaalsContact CG1-CB 3.5Å; V568-F600 HydrophobicContact CG1-CD1 3.61Å; V568-F600 HydrophobicContact CG1-CD2 3.79Å; V568-F600 HydrophobicContact CG1-CE1 4.21Å; V568-F600 HydrophobicContact CG1-CE2 4.36Å; V568-F600 HydrophobicContact CG1-CG 3.37Å; K572-F600 HydrophobicContact CD-CE1 4.2Å; L573-F600 HydrophobicContact CD1-CE2 4.33Å; L573-F600 HydrophobicContact CD2-CE2 4.28Å; L573-F600 HydrophobicContact CG-CE2 4.44Å; L573-F600 HydrophobicContact CG-CZ 4.41Å; H586-F600 CarbonylContact C-O 3.57Å; H586-F600 WeakPolarHBondContact CA-O 3.44Å; V587-F600 HydrophobicContact CB-CB 4.45Å; V587-F600 PolarHBondContact N-O 3.13Å; V587-F600 PolarHBondContact O-N 2.9Å; V589-F600 HydrophobicContact CB-CE2 4.42Å; V589-F600 HydrophobicContact CG2-CD2 3.85Å; V589-F600 HydrophobicContact CG2-CE2 4.04Å; F598-F600 HydrophobicContact CB-CD2 4.1Å; F598-F600 HydrophobicContact CB-CE2 3.42Å; F598-F600 VanDerWaalsContact CB-CE2 3.42Å; F598-F600 HydrophobicContact CB-CZ 3.94Å; F598-F600 HydrophobicContact CD1-CZ 4.2Å; F598-F600 HydrophobicContact CG-CE2 4.21Å; F598-F600 HydrophobicContact CG-CZ 4.34Å; F600-K605 CarbonylContact C-O 3.6Å; F600-K605 VanDerWaalsContact CA-O 3.3Å; F600-K605 WeakPolarHBondContact CA-O 3.23Å; F600-L606 HydrophobicContact CD1-CB 4.15Å; F600-L606 HydrophobicContact CD1-CD1 3.86Å; F600-L606 HydrophobicContact CE1-CB 4.13Å; F600-L606 HydrophobicContact CE1-CD1 3.6Å; F600-L606 HydrophobicContact CE1-CG 4.47Å; F600-L606 HydrophobicContact CE2-CD1 4.34Å; F600-L606 HydrophobicContact CG-CD1 4.33Å; F600-L606 HydrophobicContact CZ-CD1 3.87Å
601	Q	94.3	Very high	94.3	Very high	63 Å²	63	42.4 Å²	42.4	29%	0.294	23%	0.225	S	C	.	.			trans	-77.6	155	158.4	-73.3	176.8	-11.7	0	0	110.2	N603 G604 K605 V607	Q601-N603 VanDerWaalsContact CB-OD1 3.24Å; Q601-N603 WeakPolarHBondContact CB-OD1 3.43Å; Q601-N603 PolarHBondContact O-N 2.82Å; Q601-N603 VanDerWaalsContact O-N 3.09Å; Q601-N603 PolarHBondContact OE1-ND2 3.43Å; Q601-G604 PolarHBondContact O-N 2.93Å; Q601-K605 HydrophobicContact CB-CB 4.41Å; Q601-K605 PolarHBondContact N-O 3.14Å; Q601-V607 HydrophobicContact CG-CG2 3.8Å
602	V	89.9	Confident	94.1	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.309	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.5	177.3	-175	0	0	0	0	112.8	I557 G585 V587 G604	I557-V602 HydrophobicContact CD1-CG1 3.95Å; G585-V602 WeakPolarHBondContact O-CG2 3.48Å; V587-V602 HydrophobicContact CG2-CG2 4.39Å; V602-G604 VanDerWaalsContact C-N 3.25Å; V602-G604 PolarHBondContact O-N 3.39Å
603	N	88.6	Confident	94.1	Very high	107 Å²	107	55 Å²	55	57%	0.572	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.5	174.1	63.9	27.8	0	0	0	114.5	Q601 K605	Q601-N603 VanDerWaalsContact CB-OD1 3.24Å; Q601-N603 WeakPolarHBondContact CB-OD1 3.43Å; Q601-N603 PolarHBondContact O-N 2.82Å; Q601-N603 VanDerWaalsContact O-N 3.09Å; Q601-N603 PolarHBondContact OE1-ND2 3.43Å; N603-K605 WeakPolarHBondContact OD1-CB 3.29Å; N603-K605 PolarHBondContact OD1-N 2.92Å
604	G	88.8	Confident	93.9	Very high	24 Å²	24	49.9 Å²	49.9	25%	0.247	26%	0.259	C	S	.	.	S	Bend	trans	95	-5.3	-178.9	0	0	0	0	0	116	Q601 V602	Q601-G604 PolarHBondContact O-N 2.93Å; V602-G604 VanDerWaalsContact C-N 3.25Å; V602-G604 PolarHBondContact O-N 3.39Å
605	K	92.6	Very high	93.6	Very high	134 Å²	134	53.7 Å²	53.7	58%	0.583	28%	0.275	S	S	*	.			trans	-63.9	133.3	172	-173.9	-179.3	176.8	-174.4	0	109.5	F600 Q601 N603	F600-K605 CarbonylContact C-O 3.6Å; F600-K605 VanDerWaalsContact CA-O 3.3Å; F600-K605 WeakPolarHBondContact CA-O 3.23Å; Q601-K605 HydrophobicContact CB-CB 4.41Å; Q601-K605 PolarHBondContact N-O 3.14Å; N603-K605 WeakPolarHBondContact OD1-CB 3.29Å; N603-K605 PolarHBondContact OD1-N 2.92Å
606	L	94.3	Very high	93.3	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.277	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.5	170.2	-176	72.3	0	0	0	108.3	F598 I599 F600 K609	F598-L606 HydrophobicContact CB-CD1 4.1Å; F598-L606 HydrophobicContact CD1-CD1 3.86Å; F598-L606 HydrophobicContact CG-CD1 4.5Å; I599-L606 WeakPolarHBondContact O-CD1 3.27Å; F600-L606 HydrophobicContact CD1-CB 4.15Å; F600-L606 HydrophobicContact CD1-CD1 3.86Å; F600-L606 HydrophobicContact CE1-CB 4.13Å; F600-L606 HydrophobicContact CE1-CD1 3.6Å; F600-L606 HydrophobicContact CE1-CG 4.47Å; F600-L606 HydrophobicContact CE2-CD1 4.34Å; F600-L606 HydrophobicContact CG-CD1 4.33Å; F600-L606 HydrophobicContact CZ-CD1 3.87Å; L606-K609 HydrophobicContact CD2-CB 4.48Å
607	V	93.5	Very high	93	Very high	69 Å²	69	57.8 Å²	57.8	42%	0.418	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-64.5	173.1	-172.6	0	0	0	0	108.5	I599 Q601	I599-V607 HydrophobicContact CB-CB 4.4Å; I599-V607 HydrophobicContact CG2-CB 4.23Å; I599-V607 HydrophobicContact CG2-CG2 4.49Å; I599-V607 PolarHBondContact O-N 3.31Å; Q601-V607 HydrophobicContact CG-CG2 3.8Å
608	T	93.5	Very high	92.7	Very high	34 Å²	34	63.8 Å²	63.8	21%	0.209	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.2	-172.2	-50.8	0	0	0	0	110.2	I599 F610 E650	I599-T608 PolarHBondContact N-O 2.78Å; I599-T608 PolarHBondContact O-N 2.8Å; T608-F610 HydrophobicContact CG2-CD1 4.35Å; T608-E650 WeakPolarHBondContact CG2-O 3.42Å
609	K	95.2	Very high	92.5	Very high	115 Å²	115	66.2 Å²	66.2	50%	0.5	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129	166.7	-177.6	-154.6	172.4	-161.7	0	108.8	C596 V597 F598 L606	C596-K609 HydrophobicContact CB-CG 4.42Å; C596-K609 WeakPolarHBondContact SG-CE 3.12Å; C596-K609 PolarHBondContact SG-NZ 3.26Å; V597-K609 WeakPolarHBondContact O-CA 3.5Å; F598-K609 HydrophobicContact CD1-CB 4.16Å; F598-K609 HydrophobicContact CD1-CD 4.17Å; F598-K609 HydrophobicContact CD1-CG 3.75Å; F598-K609 HydrophobicContact CE1-CD 3.68Å; F598-K609 HydrophobicContact CE1-CG 3.77Å; F598-K609 HydrophobicContact CG-CG 4.2Å; F598-K609 HydrophobicContact CZ-CD 4.05Å; F598-K609 HydrophobicContact CZ-CG 4.24Å; L606-K609 HydrophobicContact CD2-CB 4.48Å
610	F	96.1	Very high	92.5	Very high	19 Å²	19	66 Å²	66	8%	0.083	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	170.3	176.4	63.7	-87.1	0	0	0	111.8	C596 V597 I599 T608 F620 I634 F647 G651	C596-F610 CarbonylContact C-O 3.56Å; C596-F610 VanDerWaalsContact CA-O 3.32Å; C596-F610 WeakPolarHBondContact CA-O 3.41Å; C596-F610 WeakPolarHBondContact CB-O 3.34Å; V597-F610 HydrophobicContact CB-CD1 4.2Å; V597-F610 HydrophobicContact CB-CD2 4.24Å; V597-F610 HydrophobicContact CB-CE1 3.76Å; V597-F610 HydrophobicContact CB-CE2 3.79Å; V597-F610 HydrophobicContact CB-CG 4.44Å; V597-F610 HydrophobicContact CB-CZ 3.55Å; V597-F610 HydrophobicContact CG1-CE1 3.73Å; V597-F610 HydrophobicContact CG1-CE2 4.37Å; V597-F610 HydrophobicContact CG1-CZ 3.64Å; V597-F610 HydrophobicContact CG2-CE2 3.87Å; V597-F610 HydrophobicContact CG2-CZ 3.96Å; V597-F610 PolarHBondContact N-O 3.27Å; V597-F610 PolarHBondContact O-N 3.43Å; I599-F610 HydrophobicContact CD1-CE1 4.21Å; I599-F610 HydrophobicContact CG1-CE1 4.37Å; T608-F610 HydrophobicContact CG2-CD1 4.35Å; F610-F620 HydrophobicContact CD2-CE2 4.43Å; F610-F620 HydrophobicContact CE2-CE2 4.48Å; F610-F620 HydrophobicContact CE2-CZ 4.32Å; F610-I634 HydrophobicContact CE1-CD1 4.19Å; F610-I634 HydrophobicContact CZ-CD1 4.17Å; F610-F647 AromaticContact CD2-CD1 3.78Å; F610-F647 HydrophobicContact CD2-CD1 3.78Å; F610-F647 AromaticContact CD2-CE1 3.98Å; F610-F647 HydrophobicContact CD2-CE1 3.98Å; F610-F647 HydrophobicContact CD2-CG 4.18Å; F610-F647 HydrophobicContact CE2-CB 3.88Å; F610-F647 AromaticContact CE2-CD1 3.54Å; F610-F647 HydrophobicContact CE2-CD1 3.54Å; F610-F647 AromaticContact CE2-CD2 3.75Å; F610-F647 HydrophobicContact CE2-CD2 3.75Å; F610-F647 AromaticContact CE2-CE1 3.96Å; F610-F647 HydrophobicContact CE2-CE1 3.96Å; F610-F647 HydrophobicContact CE2-CE2 4.15Å; F610-F647 AromaticContact CE2-CG 3.44Å; F610-F647 HydrophobicContact CE2-CG 3.44Å; F610-F647 VanDerWaalsContact CE2-CG 3.44Å; F610-F647 HydrophobicContact CE2-CZ 4.26Å; F610-F647 HydrophobicContact CZ-CB 3.98Å; F610-F647 HydrophobicContact CZ-CD1 4.45Å; F610-F647 HydrophobicContact CZ-CD2 4.41Å; F610-F647 HydrophobicContact CZ-CG 4.06Å; F610-G651 VanDerWaalsContact CG-CA 3.48Å
611	G	93.3	Very high	92.4	Very high	17 Å²	17	66.6 Å²	66.6	18%	0.175	35%	0.345	C	S	.	.			trans	83.8	149.3	-173.2	0	0	0	0	0	114.3	C595 C596 K618	C595-G611 CarbonylContact O-C 3.56Å; C596-G611 PolarHBondContact SG-O 3.03Å; G611-K618 WeakPolarHBondContact CA-O 3.37Å
612	N	93.1	Very high	92.3	Very high	77 Å²	77	63.9 Å²	63.9	41%	0.412	33%	0.334	S	S	.	.			trans	-144.1	167.2	165.6	66.4	-95.2	0	0	0	109.4	C595 G614 Q619 F620	C595-N612 CarbonylContact O-C 3.43Å; C595-N612 WeakPolarHBondContact O-CA 3.29Å; C595-N612 PolarHBondContact O-N 3.05Å; N612-G614 PolarHBondContact O-N 2.72Å; N612-Q619 PolarHBondContact ND2-NE2 2.79Å; N612-Q619 VanDerWaalsContact ND2-NE2 3.17Å; N612-Q619 CarbonylContact O-C 3.51Å; N612-Q619 VanDerWaalsContact O-CA 3.29Å; N612-Q619 WeakPolarHBondContact O-CA 3.3Å; N612-Q619 WeakPolarHBondContact O-CB 3.34Å; N612-F620 PolarHBondContact O-N 3.4Å
613	R	94.6	Very high	92.7	Very high	209 Å²	209	61.5 Å²	61.5	79%	0.789	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-60.9	128.1	175.1	-175.4	175.1	178.5	168	-0.4	111.3	C595 F620	C595-R613 HydrophobicContact CB-CB 3.94Å; R613-F620 CarbonylContact C-O 3.53Å; R613-F620 VanDerWaalsContact CA-O 3.31Å; R613-F620 WeakPolarHBondContact CA-O 3.43Å
614	G	91	Very high	93	Very high	15 Å²	15	57 Å²	57	16%	0.155	30%	0.295	C	S	.	.	S	Bend	trans	152.3	-175.3	174.1	0	0	0	0	0	113.3	N612 F620 A621 N641	N612-G614 PolarHBondContact O-N 2.72Å; G614-F620 PolarHBondContact N-O 3.5Å; G614-F620 CarbonylContact O-C 3.6Å; G614-F620 WeakPolarHBondContact O-CA 3.36Å; G614-F620 PolarHBondContact O-N 3.11Å; G614-A621 PolarHBondContact O-N 3.25Å; G614-N641 PolarHBondContact O-ND2 3.4Å
615	N	89.3	Confident	93.3	Very high	110 Å²	110	57 Å²	57	59%	0.588	29%	0.289	S	S	*	.	S	Bend	trans	-107	-12.6	-169.3	-60.7	15.4	0	0	0	113.3	N641	N615-N641 WeakPolarHBondContact CB-OD1 3.43Å; N615-N641 PolarHBondContact OD1-OD1 3.01Å
616	G	88.6	Confident	93.5	Very high	31 Å²	31	51 Å²	51	32%	0.32	26%	0.264	S	S	.	.	S	Bend	trans	-65.6	171.1	175.7	0	0	0	0	0	113.3	K618 Q619 K645	G616-K618 PolarHBondContact O-N 3.33Å; G616-Q619 VanDerWaalsContact N-OE1 3.15Å; G616-Q619 CarbonylContact O-C 3.54Å; G616-Q619 WeakPolarHBondContact O-CA 3.29Å; G616-Q619 WeakPolarHBondContact O-CB 3.38Å; G616-Q619 PolarHBondContact O-N 2.99Å; G616-K645 PolarHBondContact O-NZ 3.31Å
617	D	89.3	Confident	93.6	Very high	69 Å²	69	49 Å²	49	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.8	-165.4	-55.2	-50.2	0	0	0	113.7	Q619 F653 K656	D617-Q619 PolarHBondContact O-N 3.29Å; D617-F653 HydrophobicContact CB-CD1 3.99Å; D617-F653 HydrophobicContact CB-CD2 3.99Å; D617-F653 HydrophobicContact CB-CE1 3.76Å; D617-F653 HydrophobicContact CB-CE2 3.76Å; D617-F653 HydrophobicContact CB-CG 4.09Å; D617-F653 HydrophobicContact CB-CZ 3.63Å; D617-F653 WeakPolarHBondContact O-CD2 3.27Å; D617-K656 WeakPolarHBondContact OD1-CD 3.49Å; D617-K656 IonicContact OD1-NZ 3.77Å; D617-K656 PolarHBondContact OD1-NZ 2.92Å
618	K	91.3	Very high	93.6	Very high	126 Å²	126	47 Å²	47	55%	0.548	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	10.6	167.9	-63.2	-171.9	179.9	-169	0	113.6	G611 G616 F653	G611-K618 WeakPolarHBondContact CA-O 3.37Å; G616-K618 PolarHBondContact O-N 3.33Å; K618-F653 HydrophobicContact CG-CB 3.73Å
619	Q	94	Very high	93.5	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.29	24%	0.236	S	C	.	.			trans	-120.1	166.8	-176.5	-50.3	-173.1	-32.8	0	0	111	N612 G616 D617 K645	N612-Q619 PolarHBondContact ND2-NE2 2.79Å; N612-Q619 VanDerWaalsContact ND2-NE2 3.17Å; N612-Q619 CarbonylContact O-C 3.51Å; N612-Q619 VanDerWaalsContact O-CA 3.29Å; N612-Q619 WeakPolarHBondContact O-CA 3.3Å; N612-Q619 WeakPolarHBondContact O-CB 3.34Å; G616-Q619 VanDerWaalsContact N-OE1 3.15Å; G616-Q619 CarbonylContact O-C 3.54Å; G616-Q619 WeakPolarHBondContact O-CA 3.29Å; G616-Q619 WeakPolarHBondContact O-CB 3.38Å; G616-Q619 PolarHBondContact O-N 2.99Å; D617-Q619 PolarHBondContact O-N 3.29Å; Q619-K645 PolarHBondContact O-NZ 2.91Å
620	F	96.1	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-137.6	147.9	175.8	-58.1	-78.9	0	0	0	112.6	C595 V597 F610 N612 R613 G614 P623 V636 D638 K645 F647	C595-F620 HydrophobicContact CB-CB 4.35Å; V597-F620 HydrophobicContact CG2-CE2 3.94Å; V597-F620 HydrophobicContact CG2-CZ 3.96Å; F610-F620 HydrophobicContact CD2-CE2 4.43Å; F610-F620 HydrophobicContact CE2-CE2 4.48Å; F610-F620 HydrophobicContact CE2-CZ 4.32Å; N612-F620 PolarHBondContact O-N 3.4Å; R613-F620 CarbonylContact C-O 3.53Å; R613-F620 VanDerWaalsContact CA-O 3.31Å; R613-F620 WeakPolarHBondContact CA-O 3.43Å; G614-F620 PolarHBondContact N-O 3.5Å; G614-F620 CarbonylContact O-C 3.6Å; G614-F620 WeakPolarHBondContact O-CA 3.36Å; G614-F620 PolarHBondContact O-N 3.11Å; F620-P623 HydrophobicContact CB-CB 3.91Å; F620-P623 HydrophobicContact CB-CG 3.71Å; F620-P623 HydrophobicContact CD1-CB 3.88Å; F620-P623 HydrophobicContact CD1-CG 4.46Å; F620-P623 HydrophobicContact CD2-CG 4.42Å; F620-P623 HydrophobicContact CG-CB 3.92Å; F620-P623 HydrophobicContact CG-CG 3.99Å; F620-V636 HydrophobicContact CD1-CG1 4.4Å; F620-V636 HydrophobicContact CE1-CB 4.02Å; F620-V636 HydrophobicContact CE1-CG1 3.73Å; F620-V636 HydrophobicContact CZ-CB 4.39Å; F620-V636 HydrophobicContact CZ-CG1 4.17Å; F620-V636 HydrophobicContact CZ-CG2 4.44Å; F620-D638 WeakPolarHBondContact CA-OD2 3.33Å; F620-D638 HydrophobicContact CD1-CB 4.24Å; F620-K645 HydrophobicContact CD1-CD 4.25Å; F620-K645 HydrophobicContact CE1-CB 4.44Å; F620-K645 HydrophobicContact CE1-CD 4.14Å; F620-F647 AromaticContact CE1-CE2 3.78Å; F620-F647 HydrophobicContact CE1-CE2 3.78Å; F620-F647 AromaticContact CE1-CZ 3.96Å; F620-F647 HydrophobicContact CE1-CZ 3.96Å; F620-F647 HydrophobicContact CE2-CZ 4.27Å; F620-F647 HydrophobicContact CZ-CD2 4.4Å; F620-F647 HydrophobicContact CZ-CE1 4.45Å; F620-F647 AromaticContact CZ-CE2 3.44Å; F620-F647 HydrophobicContact CZ-CE2 3.44Å; F620-F647 VanDerWaalsContact CZ-CE2 3.44Å; F620-F647 AromaticContact CZ-CZ 3.48Å; F620-F647 HydrophobicContact CZ-CZ 3.48Å; F620-F647 VanDerWaalsContact CZ-CZ 3.48Å
621	A	92.9	Very high	92.8	Very high	13 Å²	13	47 Å²	47	11%	0.107	25%	0.248	C	C	.	.	S	Bend	trans	-117.7	81.3	172.6	0	0	0	0	0	109	G614 D638 H640 N641	G614-A621 PolarHBondContact O-N 3.25Å; A621-D638 PolarHBondContact N-OD1 3.49Å; A621-H640 HydrophobicContact CB-CB 3.86Å; A621-H640 VanDerWaalsContact O-CB 3.27Å; A621-H640 WeakPolarHBondContact O-CB 3.37Å; A621-H640 PolarHBondContact O-CD2 3.42Å; A621-H640 VanDerWaalsContact O-CD2 3.22Å; A621-H640 PolarHBondContact O-N 3.15Å; A621-N641 HydrophobicContact CB-CB 4.49Å; A621-N641 VanDerWaalsContact CB-ND2 3.27Å; A621-N641 WeakPolarHBondContact CB-ND2 3.19Å; A621-N641 PolarHBondContact N-ND2 3.37Å
622	G	93.1	Very high	92.7	Very high	7 Å²	7	47.7 Å²	47.7	7%	0.072	25%	0.248	C	C	.	.	S	Bend	trans	70.8	61.4	-177.9	0	0	0	0	0	113.2	N592 H624 F639	N592-G622 PolarHBondContact ND2-O 2.91Å; G622-H624 PolarHBondContact O-CD2 2.86Å; G622-H624 VanDerWaalsContact O-CD2 3.31Å; G622-F639 VanDerWaalsContact O-CB 3.25Å; G622-F639 WeakPolarHBondContact O-CB 3.48Å; G622-F639 PolarHBondContact O-N 2.82Å
623	P	96.7	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	148.6	-179.6	32.1	-35.1	0	0	0	110.5	V590 N592 F620 V636 T637	V590-P623 HydrophobicContact CG1-CB 3.61Å; V590-P623 HydrophobicContact CG1-CG 3.89Å; N592-P623 WeakPolarHBondContact CA-O 3.44Å; N592-P623 WeakPolarHBondContact CB-O 3.4Å; N592-P623 PolarHBondContact ND2-O 2.95Å; F620-P623 HydrophobicContact CB-CB 3.91Å; F620-P623 HydrophobicContact CB-CG 3.71Å; F620-P623 HydrophobicContact CD1-CB 3.88Å; F620-P623 HydrophobicContact CD1-CG 4.46Å; F620-P623 HydrophobicContact CD2-CG 4.42Å; F620-P623 HydrophobicContact CG-CB 3.92Å; F620-P623 HydrophobicContact CG-CG 3.99Å; P623-V636 HydrophobicContact CB-CG1 4.14Å; P623-T637 CarbonylContact C-O 3.52Å; P623-T637 VanDerWaalsContact CA-O 3.3Å; P623-T637 WeakPolarHBondContact CA-O 3.42Å
624	H	95.1	Very high	92.8	Very high	13 Å²	13	36 Å²	36	6%	0.06	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-68.1	-166	-95.1	-165.1	0	0	0	114.1	K577 G578 N592 G622 T637 F639	K577-H624 PolarHBondContact NZ-CD2 3.36Å; K577-H624 VanDerWaalsContact NZ-CD2 3.35Å; K577-H624 PolarHBondContact NZ-CE1 3.46Å; K577-H624 PolarHBondContact NZ-NE2 3.05Å; G578-H624 WeakPolarHBondContact CA-O 3.29Å; G578-H624 PolarHBondContact N-O 2.84Å; N592-H624 PolarHBondContact ND2-CD2 3.26Å; G622-H624 PolarHBondContact O-CD2 2.86Å; G622-H624 VanDerWaalsContact O-CD2 3.31Å; H624-T637 PolarHBondContact N-O 3.34Å; H624-F639 AromaticContact CE1-CD1 3.79Å; H624-F639 AromaticContact CE1-CD2 3.07Å; H624-F639 WeakPolarHBondContact CE1-CD2 3.29Å; H624-F639 AromaticContact CE1-CE2 3.48Å; H624-F639 VanDerWaalsContact CE1-CE2 3.48Å; H624-F639 WeakPolarHBondContact CE1-CE2 3.35Å; H624-F639 AromaticContact CE1-CG 3.23Å; H624-F639 WeakPolarHBondContact CE1-CG 3.36Å; H624-F639 AromaticContact ND1-CD2 3.3Å; H624-F639 VanDerWaalsContact ND1-CD2 3.3Å; H624-F639 WeakPolarHBondContact ND1-CD2 3.41Å; H624-F639 AromaticContact ND1-CE2 3.97Å; H624-F639 AromaticContact ND1-CG 3.67Å; H624-F639 AromaticContact NE2-CD1 4Å; H624-F639 AromaticContact NE2-CD2 3.98Å; H624-F639 AromaticContact NE2-CG 3.68Å
625	F	96.4	Very high	93.1	Very high	24 Å²	24	35.3 Å²	35.3	11%	0.105	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	162.8	-179.5	-77.9	-92.3	0	0	0	111	Q488 V636 T637 T671 V673	Q488-F625 WeakPolarHBondContact O-CZ 3.36Å; F625-V636 WeakPolarHBondContact O-CA 3.27Å; F625-T637 PolarHBondContact N-OG1 2.92Å; F625-T637 PolarHBondContact O-N 2.92Å; F625-T637 PolarHBondContact O-OG1 3.36Å; F625-T671 WeakPolarHBondContact CB-O 3.21Å; F625-T671 WeakPolarHBondContact CD2-O 3.21Å; F625-V673 HydrophobicContact CB-CG1 4.16Å
626	A	96.3	Very high	93.4	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.6	168.1	0	0	0	0	0	110.6	I588 V590 I634 V635 V636	I588-A626 HydrophobicContact CG2-CB 4.49Å; V590-A626 HydrophobicContact CG2-CB 3.45Å; V590-A626 VanDerWaalsContact CG2-CB 3.45Å; A626-I634 HydrophobicContact CB-CG2 4.29Å; A626-V635 CarbonylContact C-O 3.52Å; A626-V635 WeakPolarHBondContact CA-O 3.48Å; A626-V635 WeakPolarHBondContact CB-O 3.32Å; A626-V636 HydrophobicContact CB-CG2 4.22Å
627	A	95.8	Very high	93.8	Very high	11 Å²	11	28.6 Å²	28.6	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.3	165.9	0	0	0	0	0	108.6	V635 V673 V675	A627-V635 PolarHBondContact N-O 3.44Å; A627-V635 PolarHBondContact O-N 3.03Å; A627-V673 HydrophobicContact CB-CG1 4.21Å; A627-V673 HydrophobicContact CB-CG2 4.43Å; A627-V675 HydrophobicContact CB-CG2 3.91Å
628	V	94.3	Very high	94.1	Very high	29 Å²	29	25.3 Å²	25.3	18%	0.176	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	179	-174.2	0	0	0	0	108.4	A580 D582 I588 N632 E633	A580-V628 HydrophobicContact CB-CG2 4.05Å; D582-V628 HydrophobicContact CB-CG1 4.21Å; I588-V628 HydrophobicContact CD1-CG2 3.47Å; I588-V628 VanDerWaalsContact CD1-CG2 3.47Å; V628-N632 HydrophobicContact CG1-CB 4.46Å; V628-E633 WeakPolarHBondContact CA-O 3.47Å
629	N	91.6	Very high	94.3	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.048	11%	0.112	C	C	.	.			trans	-91.2	-174.7	178.2	77.2	5.6	0	0	0	112.5	N631 N632 E633 V675 L696	N629-N631 PolarHBondContact O-N 3.09Å; N629-N631 WeakPolarHBondContact OD1-CA 3.29Å; N629-N631 WeakPolarHBondContact OD1-CB 3.45Å; N629-N631 PolarHBondContact OD1-N 2.93Å; N629-N632 PolarHBondContact O-N 3.33Å; N629-N632 PolarHBondContact OD1-N 2.95Å; N629-E633 PolarHBondContact N-O 2.95Å; N629-E633 VanDerWaalsContact N-O 3.12Å; N629-E633 PolarHBondContact ND2-OE2 3.47Å; N629-E633 WeakPolarHBondContact OD1-CB 3.39Å; N629-E633 PolarHBondContact OD1-N 2.89Å; N629-V675 HydrophobicContact CB-CB 4.44Å; N629-V675 HydrophobicContact CB-CG1 3.81Å; N629-V675 HydrophobicContact CB-CG2 4.37Å; N629-L696 VanDerWaalsContact ND2-CD1 3.32Å; N629-L696 WeakPolarHBondContact ND2-CD1 3.42Å
630	N	87.9	Confident	94.3	Very high	64 Å²	64	23.9 Å²	23.9	34%	0.342	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.7	-179.1	-69.8	-20.7	0	0	0	114.4	R583 N632 I677	R583-N630 WeakPolarHBondContact CD-O 3.29Å; R583-N630 PolarHBondContact NE-O 2.99Å; R583-N630 VanDerWaalsContact NH2-CG 3.33Å; R583-N630 PolarHBondContact NH2-OD1 3.26Å; N630-N632 VanDerWaalsContact C-N 3.33Å; N630-I677 PolarHBondContact ND2-O 3.28Å
631	N	88.3	Confident	94.1	Very high	95 Å²	95	25 Å²	25	51%	0.508	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.4	-178	-57.9	-5.9	0	0	0	112.6	N629 E633	N629-N631 PolarHBondContact O-N 3.09Å; N629-N631 WeakPolarHBondContact OD1-CA 3.29Å; N629-N631 WeakPolarHBondContact OD1-CB 3.45Å; N629-N631 PolarHBondContact OD1-N 2.93Å; N631-E633 HydrophobicContact CB-CG 3.91Å; N631-E633 VanDerWaalsContact CB-OE1 3.27Å; N631-E633 WeakPolarHBondContact CB-OE1 3.42Å; N631-E633 PolarHBondContact ND2-OE1 3.07Å; N631-E633 PolarHBondContact O-N 2.92Å
632	N	90.2	Very high	94.2	Very high	30 Å²	30	26.4 Å²	26.4	16%	0.16	14%	0.136	C	C	.	.			trans	63.6	15.2	-166.1	-64.7	-44.1	0	0	0	115.3	R583 N584 V628 N629 N630 T649	R583-N632 WeakPolarHBondContact CB-OD1 3.36Å; R583-N632 WeakPolarHBondContact CG-OD1 3.43Å; R583-N632 PolarHBondContact N-OD1 3.21Å; N584-N632 PolarHBondContact ND2-ND2 3.3Å; V628-N632 HydrophobicContact CG1-CB 4.46Å; N629-N632 PolarHBondContact O-N 3.33Å; N629-N632 PolarHBondContact OD1-N 2.95Å; N630-N632 VanDerWaalsContact C-N 3.33Å; N632-T649 HydrophobicContact CB-CG2 3.89Å
633	E	94.4	Very high	94.3	Very high	42 Å²	42	26.1 Å²	26.1	20%	0.196	13%	0.133	C	C	.	.			trans	-71.6	135.3	174.6	-57.9	157.2	-158	0	0	110.3	V628 N629 N631 V646 F647 L654	V628-E633 WeakPolarHBondContact CA-O 3.47Å; N629-E633 PolarHBondContact N-O 2.95Å; N629-E633 VanDerWaalsContact N-O 3.12Å; N629-E633 PolarHBondContact ND2-OE2 3.47Å; N629-E633 WeakPolarHBondContact OD1-CB 3.39Å; N629-E633 PolarHBondContact OD1-N 2.89Å; N631-E633 HydrophobicContact CB-CG 3.91Å; N631-E633 VanDerWaalsContact CB-OE1 3.27Å; N631-E633 WeakPolarHBondContact CB-OE1 3.42Å; N631-E633 PolarHBondContact ND2-OE1 3.07Å; N631-E633 PolarHBondContact O-N 2.92Å; E633-V646 HydrophobicContact CB-CG1 3.85Å; E633-F647 CarbonylContact C-O 3.55Å; E633-F647 WeakPolarHBondContact CA-O 3.43Å; E633-L654 HydrophobicContact CB-CD1 4.37Å; E633-L654 HydrophobicContact CG-CD1 3.81Å
634	I	95.8	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.7	-174	-51	178.9	0	0	0	108.9	I588 I599 F610 A626 V636 V646 F647	I588-I634 HydrophobicContact CD1-CD1 3.74Å; I588-I634 HydrophobicContact CD1-CG1 3.89Å; I588-I634 HydrophobicContact CG1-CD1 4.06Å; I588-I634 HydrophobicContact CG2-CD1 4.29Å; I588-I634 HydrophobicContact CG2-CG2 3.83Å; I599-I634 HydrophobicContact CD1-CD1 3.64Å; I599-I634 HydrophobicContact CG1-CD1 4.37Å; F610-I634 HydrophobicContact CE1-CD1 4.19Å; F610-I634 HydrophobicContact CZ-CD1 4.17Å; A626-I634 HydrophobicContact CB-CG2 4.29Å; I634-V636 HydrophobicContact CG2-CG2 3.87Å; I634-V646 WeakPolarHBondContact O-CA 3.49Å; I634-F647 PolarHBondContact N-O 2.97Å; I634-F647 PolarHBondContact O-N 3.3Å
635	V	96.8	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121	177.6	-176	0	0	0	0	108.9	A626 A627 V644 V646 V673 V675 I681	A626-V635 CarbonylContact C-O 3.52Å; A626-V635 WeakPolarHBondContact CA-O 3.48Å; A626-V635 WeakPolarHBondContact CB-O 3.32Å; A627-V635 PolarHBondContact N-O 3.44Å; A627-V635 PolarHBondContact O-N 3.03Å; V635-V644 HydrophobicContact CG1-CG1 3.43Å; V635-V644 VanDerWaalsContact CG1-CG1 3.43Å; V635-V646 HydrophobicContact CB-CG2 4.49Å; V635-V646 HydrophobicContact CG1-CG2 4.29Å; V635-V646 HydrophobicContact CG2-CG1 4.22Å; V635-V646 HydrophobicContact CG2-CG2 4.11Å; V635-V673 HydrophobicContact CG1-CG2 3.83Å; V635-V675 HydrophobicContact CG2-CG2 4.07Å; V635-I681 HydrophobicContact CG1-CD1 3.77Å; V635-I681 HydrophobicContact CG1-CG1 4.25Å; V635-I681 HydrophobicContact CG1-CG2 3.94Å; V635-I681 HydrophobicContact CG2-CD1 3.97Å; V635-I681 HydrophobicContact CG2-CG1 4.31Å
636	V	97.3	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.4	-173.4	-171.2	0	0	0	0	111.4	V590 V597 F620 P623 F625 A626 I634 V644 K645 F647	V590-V636 HydrophobicContact CG1-CG1 4.39Å; V590-V636 HydrophobicContact CG2-CG1 4.24Å; V597-V636 HydrophobicContact CG2-CG1 4.44Å; V597-V636 HydrophobicContact CG2-CG2 4.15Å; F620-V636 HydrophobicContact CD1-CG1 4.4Å; F620-V636 HydrophobicContact CE1-CB 4.02Å; F620-V636 HydrophobicContact CE1-CG1 3.73Å; F620-V636 HydrophobicContact CZ-CB 4.39Å; F620-V636 HydrophobicContact CZ-CG1 4.17Å; F620-V636 HydrophobicContact CZ-CG2 4.44Å; P623-V636 HydrophobicContact CB-CG1 4.14Å; F625-V636 WeakPolarHBondContact O-CA 3.27Å; A626-V636 HydrophobicContact CB-CG2 4.22Å; I634-V636 HydrophobicContact CG2-CG2 3.87Å; V636-V644 WeakPolarHBondContact O-CA 3.08Å; V636-K645 PolarHBondContact N-O 3.2Å; V636-K645 PolarHBondContact O-N 2.93Å; V636-F647 HydrophobicContact CG2-CD2 4.26Å; V636-F647 HydrophobicContact CG2-CE2 4.42Å
637	T	96.8	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132	171.6	47.6	0	0	0	0	111.8	P623 H624 F625 V644 P670 T671 V673 V683	P623-T637 CarbonylContact C-O 3.52Å; P623-T637 VanDerWaalsContact CA-O 3.3Å; P623-T637 WeakPolarHBondContact CA-O 3.42Å; H624-T637 PolarHBondContact N-O 3.34Å; F625-T637 PolarHBondContact N-OG1 2.92Å; F625-T637 PolarHBondContact O-N 2.92Å; F625-T637 PolarHBondContact O-OG1 3.36Å; T637-V644 HydrophobicContact CG2-CG2 4.16Å; T637-P670 HydrophobicContact CG2-CB 4.29Å; T637-T671 WeakPolarHBondContact CB-O 3.31Å; T637-T671 PolarHBondContact OG1-O 3.28Å; T637-V673 HydrophobicContact CG2-CB 3.75Å; T637-V673 HydrophobicContact CG2-CG1 3.93Å; T637-V683 HydrophobicContact CG2-CG1 4.31Å
638	D	95.9	Very high	94.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	94.9	-175.7	-161.8	4.3	0	0	0	110.3	F620 A621 N641 H642 S643 K645	F620-D638 WeakPolarHBondContact CA-OD2 3.33Å; F620-D638 HydrophobicContact CD1-CB 4.24Å; A621-D638 PolarHBondContact N-OD1 3.49Å; D638-N641 HydrophobicContact CB-CB 4.16Å; D638-N641 CarbonylContact O-C 3.6Å; D638-N641 PolarHBondContact O-N 3.49Å; D638-N641 WeakPolarHBondContact OD2-CB 3.31Å; D638-N641 PolarHBondContact OD2-ND2 3.4Å; D638-H642 PolarHBondContact O-N 3.49Å; D638-H642 VanDerWaalsContact O-N 3.15Å; D638-S643 PolarHBondContact N-O 2.98Å; D638-S643 PolarHBondContact O-N 2.91Å; D638-K645 WeakPolarHBondContact OD2-CE 3.48Å; D638-K645 IonicContact OD2-NZ 2.64Å; D638-K645 PolarHBondContact OD2-NZ 3.01Å
639	F	95.1	Very high	93.8	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.145	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.8	-53.5	-160.3	-176.8	-106.1	0	0	0	113.2	G622 H624 N641 H642 A669 T671 W686	G622-F639 VanDerWaalsContact O-CB 3.25Å; G622-F639 WeakPolarHBondContact O-CB 3.48Å; G622-F639 PolarHBondContact O-N 2.82Å; H624-F639 AromaticContact CE1-CD1 3.79Å; H624-F639 AromaticContact CE1-CD2 3.07Å; H624-F639 WeakPolarHBondContact CE1-CD2 3.29Å; H624-F639 AromaticContact CE1-CE2 3.48Å; H624-F639 VanDerWaalsContact CE1-CE2 3.48Å; H624-F639 WeakPolarHBondContact CE1-CE2 3.35Å; H624-F639 AromaticContact CE1-CG 3.23Å; H624-F639 WeakPolarHBondContact CE1-CG 3.36Å; H624-F639 AromaticContact ND1-CD2 3.3Å; H624-F639 VanDerWaalsContact ND1-CD2 3.3Å; H624-F639 WeakPolarHBondContact ND1-CD2 3.41Å; H624-F639 AromaticContact ND1-CE2 3.97Å; H624-F639 AromaticContact ND1-CG 3.67Å; H624-F639 AromaticContact NE2-CD1 4Å; H624-F639 AromaticContact NE2-CD2 3.98Å; H624-F639 AromaticContact NE2-CG 3.68Å; F639-N641 VanDerWaalsContact C-N 3.3Å; F639-N641 PolarHBondContact O-N 2.87Å; F639-H642 PolarHBondContact O-N 3.14Å; F639-A669 HydrophobicContact CD1-CB 4.38Å; F639-A669 HydrophobicContact CD2-CB 3.61Å; F639-A669 VanDerWaalsContact CD2-O 3.24Å; F639-A669 WeakPolarHBondContact CD2-O 3.17Å; F639-A669 HydrophobicContact CE1-CB 4.15Å; F639-A669 HydrophobicContact CE2-CB 3.35Å; F639-A669 VanDerWaalsContact CE2-O 3.25Å; F639-A669 WeakPolarHBondContact CE2-O 3.19Å; F639-A669 HydrophobicContact CG-CB 4.15Å; F639-A669 HydrophobicContact CZ-CB 3.64Å; F639-A669 WeakPolarHBondContact O-CA 3.48Å; F639-T671 HydrophobicContact CD2-CG2 4.01Å; F639-T671 HydrophobicContact CE2-CG2 3.85Å; F639-W686 HydrophobicContact CE2-CE3 4.04Å; F639-W686 HydrophobicContact CZ-CE3 4.15Å; F639-W686 HydrophobicContact CZ-CZ3 4.17Å
640	H	93.4	Very high	93.6	Very high	125 Å²	125	30.3 Å²	30.3	58%	0.579	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-81	-8.9	-179.4	-56.8	-70.8	0	0	0	113.5	A621 H642	A621-H640 HydrophobicContact CB-CB 3.86Å; A621-H640 VanDerWaalsContact O-CB 3.27Å; A621-H640 WeakPolarHBondContact O-CB 3.37Å; A621-H640 PolarHBondContact O-CD2 3.42Å; A621-H640 VanDerWaalsContact O-CD2 3.22Å; A621-H640 PolarHBondContact O-N 3.15Å; H640-H642 PolarHBondContact O-CD2 3.3Å
641	N	92.9	Very high	93.7	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.128	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-96.8	7.1	173	-75.9	-36	0	0	0	112.7	G614 N615 A621 D638 F639 S643	G614-N641 PolarHBondContact O-ND2 3.4Å; N615-N641 WeakPolarHBondContact CB-OD1 3.43Å; N615-N641 PolarHBondContact OD1-OD1 3.01Å; A621-N641 HydrophobicContact CB-CB 4.49Å; A621-N641 VanDerWaalsContact CB-ND2 3.27Å; A621-N641 WeakPolarHBondContact CB-ND2 3.19Å; A621-N641 PolarHBondContact N-ND2 3.37Å; D638-N641 HydrophobicContact CB-CB 4.16Å; D638-N641 CarbonylContact O-C 3.6Å; D638-N641 PolarHBondContact O-N 3.49Å; D638-N641 WeakPolarHBondContact OD2-CB 3.31Å; D638-N641 PolarHBondContact OD2-ND2 3.4Å; F639-N641 VanDerWaalsContact C-N 3.3Å; F639-N641 PolarHBondContact O-N 2.87Å; N641-S643 WeakPolarHBondContact O-CB 3.44Å; N641-S643 PolarHBondContact O-N 2.89Å; N641-S643 PolarHBondContact O-OG 3.18Å
642	H	94.9	Very high	93.8	Very high	42 Å²	42	28.3 Å²	28.3	19%	0.194	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	30.8	173.6	-67	-104	0	0	0	114.3	D638 F639 H640 G658 S659 N660 F667 A669	D638-H642 PolarHBondContact O-N 3.49Å; D638-H642 VanDerWaalsContact O-N 3.15Å; F639-H642 PolarHBondContact O-N 3.14Å; H640-H642 PolarHBondContact O-CD2 3.3Å; H642-G658 CarbonylContact O-C 3.54Å; H642-S659 PolarHBondContact O-N 3.33Å; H642-N660 HydrophobicContact CB-CB 4.05Å; H642-N660 PolarHBondContact CE1-OD1 3.08Å; H642-N660 PolarHBondContact ND1-OD1 3.15Å; H642-F667 WeakPolarHBondContact CB-O 3.35Å; H642-F667 PolarHBondContact ND1-O 3.31Å; H642-A669 PolarHBondContact ND1-N 3.47Å
643	S	94.8	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.3	-167.5	46.6	0	0	0	0	113.9	D638 N641 F657	D638-S643 PolarHBondContact N-O 2.98Å; D638-S643 PolarHBondContact O-N 2.91Å; N641-S643 WeakPolarHBondContact O-CB 3.44Å; N641-S643 PolarHBondContact O-N 2.89Å; N641-S643 PolarHBondContact O-OG 3.18Å; S643-F657 WeakPolarHBondContact CA-O 3.4Å; S643-F657 VanDerWaalsContact CB-O 3.28Å; S643-F657 WeakPolarHBondContact CB-O 3.29Å
644	V	96	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.4	172.1	-177.2	0	0	0	0	107.7	V635 V636 T637 K656 F657 F667 V683	V635-V644 HydrophobicContact CG1-CG1 3.43Å; V635-V644 VanDerWaalsContact CG1-CG1 3.43Å; V636-V644 WeakPolarHBondContact O-CA 3.08Å; T637-V644 HydrophobicContact CG2-CG2 4.16Å; V644-K656 WeakPolarHBondContact O-CA 3.2Å; V644-F657 HydrophobicContact CB-CD1 4.45Å; V644-F657 HydrophobicContact CB-CD2 4.33Å; V644-F657 HydrophobicContact CB-CE1 3.94Å; V644-F657 HydrophobicContact CB-CE2 3.82Å; V644-F657 HydrophobicContact CB-CZ 3.6Å; V644-F657 HydrophobicContact CG1-CE1 3.87Å; V644-F657 HydrophobicContact CG1-CE2 4.3Å; V644-F657 HydrophobicContact CG1-CZ 3.6Å; V644-F657 HydrophobicContact CG2-CE2 4.09Å; V644-F657 HydrophobicContact CG2-CZ 4.22Å; V644-F657 PolarHBondContact N-O 2.8Å; V644-F657 PolarHBondContact O-N 3.2Å; V644-F657 VanDerWaalsContact O-O 3.12Å; V644-F667 HydrophobicContact CG2-CD2 4.48Å; V644-F667 HydrophobicContact CG2-CE2 3.94Å; V644-F667 HydrophobicContact CG2-CZ 4.27Å; V644-V683 HydrophobicContact CG2-CG1 4.18Å; V644-V683 HydrophobicContact CG2-CG2 4Å
645	K	95.3	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	-176.6	-67.6	170.7	172.9	169.4	0	109.3	G616 Q619 F620 V636 D638 F647 F653 K656	G616-K645 PolarHBondContact O-NZ 3.31Å; Q619-K645 PolarHBondContact O-NZ 2.91Å; F620-K645 HydrophobicContact CD1-CD 4.25Å; F620-K645 HydrophobicContact CE1-CB 4.44Å; F620-K645 HydrophobicContact CE1-CD 4.14Å; V636-K645 PolarHBondContact N-O 3.2Å; V636-K645 PolarHBondContact O-N 2.93Å; D638-K645 WeakPolarHBondContact OD2-CE 3.48Å; D638-K645 IonicContact OD2-NZ 2.64Å; D638-K645 PolarHBondContact OD2-NZ 3.01Å; K645-F647 HydrophobicContact CB-CD2 4.46Å; K645-F647 HydrophobicContact CB-CE2 3.52Å; K645-F647 HydrophobicContact CB-CZ 4.02Å; K645-F653 HydrophobicContact CB-CE2 4.37Å; K645-F653 HydrophobicContact CG-CE2 4.34Å; K645-K656 HydrophobicContact CG-CB 4.2Å; K645-K656 HydrophobicContact CG-CD 4.43Å; K645-K656 HydrophobicContact CG-CG 4.05Å
646	V	95.4	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.1	-175.4	-171.8	0	0	0	0	109.7	E633 I634 V635 L654 L655 F657 I681	E633-V646 HydrophobicContact CB-CG1 3.85Å; I634-V646 WeakPolarHBondContact O-CA 3.49Å; V635-V646 HydrophobicContact CB-CG2 4.49Å; V635-V646 HydrophobicContact CG1-CG2 4.29Å; V635-V646 HydrophobicContact CG2-CG1 4.22Å; V635-V646 HydrophobicContact CG2-CG2 4.11Å; V646-L654 HydrophobicContact CG1-CD1 4.42Å; V646-L654 WeakPolarHBondContact O-CB 3.37Å; V646-L654 PolarHBondContact O-N 3.16Å; V646-L655 HydrophobicContact CB-CD1 4Å; V646-L655 HydrophobicContact CB-CG 4.1Å; V646-L655 HydrophobicContact CG2-CD1 3.59Å; V646-L655 HydrophobicContact CG2-CG 4.24Å; V646-L655 PolarHBondContact N-O 3.06Å; V646-L655 PolarHBondContact O-N 3.09Å; V646-F657 HydrophobicContact CG2-CE1 4.29Å; V646-I681 HydrophobicContact CG2-CD1 4.45Å
647	F	95.3	Very high	93.3	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.5	-174.3	-60	-100.7	0	0	0	111.4	F610 F620 E633 I634 V636 K645 E652 F653	F610-F647 AromaticContact CD2-CD1 3.78Å; F610-F647 HydrophobicContact CD2-CD1 3.78Å; F610-F647 AromaticContact CD2-CE1 3.98Å; F610-F647 HydrophobicContact CD2-CE1 3.98Å; F610-F647 HydrophobicContact CD2-CG 4.18Å; F610-F647 HydrophobicContact CE2-CB 3.88Å; F610-F647 AromaticContact CE2-CD1 3.54Å; F610-F647 HydrophobicContact CE2-CD1 3.54Å; F610-F647 AromaticContact CE2-CD2 3.75Å; F610-F647 HydrophobicContact CE2-CD2 3.75Å; F610-F647 AromaticContact CE2-CE1 3.96Å; F610-F647 HydrophobicContact CE2-CE1 3.96Å; F610-F647 HydrophobicContact CE2-CE2 4.15Å; F610-F647 AromaticContact CE2-CG 3.44Å; F610-F647 HydrophobicContact CE2-CG 3.44Å; F610-F647 VanDerWaalsContact CE2-CG 3.44Å; F610-F647 HydrophobicContact CE2-CZ 4.26Å; F610-F647 HydrophobicContact CZ-CB 3.98Å; F610-F647 HydrophobicContact CZ-CD1 4.45Å; F610-F647 HydrophobicContact CZ-CD2 4.41Å; F610-F647 HydrophobicContact CZ-CG 4.06Å; F620-F647 AromaticContact CE1-CE2 3.78Å; F620-F647 HydrophobicContact CE1-CE2 3.78Å; F620-F647 AromaticContact CE1-CZ 3.96Å; F620-F647 HydrophobicContact CE1-CZ 3.96Å; F620-F647 HydrophobicContact CE2-CZ 4.27Å; F620-F647 HydrophobicContact CZ-CD2 4.4Å; F620-F647 HydrophobicContact CZ-CE1 4.45Å; F620-F647 AromaticContact CZ-CE2 3.44Å; F620-F647 HydrophobicContact CZ-CE2 3.44Å; F620-F647 VanDerWaalsContact CZ-CE2 3.44Å; F620-F647 AromaticContact CZ-CZ 3.48Å; F620-F647 HydrophobicContact CZ-CZ 3.48Å; F620-F647 VanDerWaalsContact CZ-CZ 3.48Å; E633-F647 CarbonylContact C-O 3.55Å; E633-F647 WeakPolarHBondContact CA-O 3.43Å; I634-F647 PolarHBondContact N-O 2.97Å; I634-F647 PolarHBondContact O-N 3.3Å; V636-F647 HydrophobicContact CG2-CD2 4.26Å; V636-F647 HydrophobicContact CG2-CE2 4.42Å; K645-F647 HydrophobicContact CB-CD2 4.46Å; K645-F647 HydrophobicContact CB-CE2 3.52Å; K645-F647 HydrophobicContact CB-CZ 4.02Å; F647-E652 CarbonylContact C-O 3.57Å; F647-E652 WeakPolarHBondContact CA-O 3.45Å; F647-E652 VanDerWaalsContact CB-O 3.31Å; F647-E652 WeakPolarHBondContact CB-O 3.47Å; F647-E652 WeakPolarHBondContact CD1-O 3.47Å; F647-F653 HydrophobicContact CD1-CB 4.06Å; F647-F653 HydrophobicContact CE1-CB 3.83Å; F647-F653 HydrophobicContact CE1-CD2 4.07Å; F647-F653 HydrophobicContact CE1-CG 4.48Å; F647-F653 HydrophobicContact CZ-CD2 4.08Å
648	N	92.7	Very high	92.9	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.15	21%	0.21	C	C	.	.			trans	-80.2	177.8	167.2	65.6	7.7	0	0	0	111.8	E650 G651 E652 L654	N648-E650 WeakPolarHBondContact CB-OE2 3.41Å; N648-E650 PolarHBondContact ND2-OE2 2.99Å; N648-E650 PolarHBondContact O-N 2.85Å; N648-E650 PolarHBondContact OD1-N 3.27Å; N648-G651 PolarHBondContact O-N 2.93Å; N648-G651 VanDerWaalsContact O-N 3.12Å; N648-G651 PolarHBondContact OD1-N 3.33Å; N648-G651 VanDerWaalsContact OD1-N 3.11Å; N648-E652 PolarHBondContact N-O 3.49Å; N648-E652 PolarHBondContact ND2-OE2 3.18Å; N648-E652 WeakPolarHBondContact OD1-CA 3.39Å; N648-E652 WeakPolarHBondContact OD1-CB 3.03Å; N648-E652 PolarHBondContact OD1-N 3.37Å; N648-E652 PolarHBondContact OD1-O 3.4Å; N648-L654 HydrophobicContact CB-CD1 4.3Å; N648-L654 HydrophobicContact CB-CD2 4.41Å
649	T	88.7	Confident	92.6	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.6	177.9	33.3	0	0	0	0	113.4	I599 N632 G651	I599-T649 VanDerWaalsContact CD1-O 3.25Å; I599-T649 WeakPolarHBondContact CD1-O 3.44Å; N632-T649 HydrophobicContact CB-CG2 3.89Å; T649-G651 VanDerWaalsContact C-N 3.32Å
650	E	88.6	Confident	92.4	Very high	114 Å²	114	48.6 Å²	48.6	53%	0.533	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.8	179.9	-61.4	59.1	-120.9	0	0	111.5	T608 N648 E652	T608-E650 WeakPolarHBondContact CG2-O 3.42Å; N648-E650 WeakPolarHBondContact CB-OE2 3.41Å; N648-E650 PolarHBondContact ND2-OE2 2.99Å; N648-E650 PolarHBondContact O-N 2.85Å; N648-E650 PolarHBondContact OD1-N 3.27Å; E650-E652 HydrophobicContact CB-CG 4.38Å
651	G	88.5	Confident	92.2	Very high	11 Å²	11	43.5 Å²	43.5	11%	0.113	23%	0.232	C	C	.	.			trans	84.2	14.7	-179.4	0	0	0	0	0	114.3	F610 N648 T649	F610-G651 VanDerWaalsContact CG-CA 3.48Å; N648-G651 PolarHBondContact O-N 2.93Å; N648-G651 VanDerWaalsContact O-N 3.12Å; N648-G651 PolarHBondContact OD1-N 3.33Å; N648-G651 VanDerWaalsContact OD1-N 3.11Å; T649-G651 VanDerWaalsContact C-N 3.32Å
652	E	92.1	Very high	91.9	Very high	106 Å²	106	49.7 Å²	49.7	50%	0.495	26%	0.26	S	S	.	.			trans	-77.7	141.6	170.3	-51	-172.3	108.2	0	0	110.6	F647 N648 E650	F647-E652 CarbonylContact C-O 3.57Å; F647-E652 WeakPolarHBondContact CA-O 3.45Å; F647-E652 VanDerWaalsContact CB-O 3.31Å; F647-E652 WeakPolarHBondContact CB-O 3.47Å; F647-E652 WeakPolarHBondContact CD1-O 3.47Å; N648-E652 PolarHBondContact N-O 3.49Å; N648-E652 PolarHBondContact ND2-OE2 3.18Å; N648-E652 WeakPolarHBondContact OD1-CA 3.39Å; N648-E652 WeakPolarHBondContact OD1-CB 3.03Å; N648-E652 PolarHBondContact OD1-N 3.37Å; N648-E652 PolarHBondContact OD1-O 3.4Å; E650-E652 HydrophobicContact CB-CG 4.38Å
653	F	93.8	Very high	91.2	Very high	54 Å²	54	49 Å²	49	24%	0.237	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.7	179.6	170	-95.5	0	0	0	110.5	D617 K618 K645 F647 L655 K656	D617-F653 HydrophobicContact CB-CD1 3.99Å; D617-F653 HydrophobicContact CB-CD2 3.99Å; D617-F653 HydrophobicContact CB-CE1 3.76Å; D617-F653 HydrophobicContact CB-CE2 3.76Å; D617-F653 HydrophobicContact CB-CG 4.09Å; D617-F653 HydrophobicContact CB-CZ 3.63Å; D617-F653 WeakPolarHBondContact O-CD2 3.27Å; K618-F653 HydrophobicContact CG-CB 3.73Å; K645-F653 HydrophobicContact CB-CE2 4.37Å; K645-F653 HydrophobicContact CG-CE2 4.34Å; F647-F653 HydrophobicContact CD1-CB 4.06Å; F647-F653 HydrophobicContact CE1-CB 3.83Å; F647-F653 HydrophobicContact CE1-CD2 4.07Å; F647-F653 HydrophobicContact CE1-CG 4.48Å; F647-F653 HydrophobicContact CZ-CD2 4.08Å; F653-L655 WeakPolarHBondContact CE2-O 3.47Å; F653-K656 HydrophobicContact CE2-CB 3.75Å; F653-K656 HydrophobicContact CZ-CB 3.58Å
654	L	91.8	Very high	90.6	Very high	84 Å²	84	55.6 Å²	55.6	44%	0.44	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-56.8	178.6	-59.3	178.3	0	0	0	111.2	E633 V646 N648	E633-L654 HydrophobicContact CB-CD1 4.37Å; E633-L654 HydrophobicContact CG-CD1 3.81Å; V646-L654 HydrophobicContact CG1-CD1 4.42Å; V646-L654 WeakPolarHBondContact O-CB 3.37Å; V646-L654 PolarHBondContact O-N 3.16Å; N648-L654 HydrophobicContact CB-CD1 4.3Å; N648-L654 HydrophobicContact CB-CD2 4.41Å
655	L	92	Very high	90	Very high	53 Å²	53	57.3 Å²	57.3	28%	0.277	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	163.7	-178.8	62.9	82.2	0	0	0	113.1	V646 F653 F657 L696	V646-L655 HydrophobicContact CB-CD1 4Å; V646-L655 HydrophobicContact CB-CG 4.1Å; V646-L655 HydrophobicContact CG2-CD1 3.59Å; V646-L655 HydrophobicContact CG2-CG 4.24Å; V646-L655 PolarHBondContact N-O 3.06Å; V646-L655 PolarHBondContact O-N 3.09Å; F653-L655 WeakPolarHBondContact CE2-O 3.47Å; L655-F657 HydrophobicContact CD1-CD1 3.76Å; L655-F657 HydrophobicContact CD1-CE1 4.12Å; L655-L696 HydrophobicContact CD1-CD2 4.4Å; L655-L696 HydrophobicContact CD2-CD2 4.22Å
656	K	92.5	Very high	89.9	Confident	87 Å²	87	60.6 Å²	60.6	38%	0.378	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.2	177.2	172.2	-176.9	175.9	-170.5	0	109	D617 V644 K645 F653	D617-K656 WeakPolarHBondContact OD1-CD 3.49Å; D617-K656 IonicContact OD1-NZ 3.77Å; D617-K656 PolarHBondContact OD1-NZ 2.92Å; V644-K656 WeakPolarHBondContact O-CA 3.2Å; K645-K656 HydrophobicContact CG-CB 4.2Å; K645-K656 HydrophobicContact CG-CD 4.43Å; K645-K656 HydrophobicContact CG-CG 4.05Å; F653-K656 HydrophobicContact CE2-CB 3.75Å; F653-K656 HydrophobicContact CZ-CB 3.58Å
657	F	92.8	Very high	89.8	Confident	66 Å²	66	60.8 Å²	60.8	29%	0.289	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161	168.8	60.7	-84.1	0	0	0	109.5	S643 V644 V646 L655 F667 I681	S643-F657 WeakPolarHBondContact CA-O 3.4Å; S643-F657 VanDerWaalsContact CB-O 3.28Å; S643-F657 WeakPolarHBondContact CB-O 3.29Å; V644-F657 HydrophobicContact CB-CD1 4.45Å; V644-F657 HydrophobicContact CB-CD2 4.33Å; V644-F657 HydrophobicContact CB-CE1 3.94Å; V644-F657 HydrophobicContact CB-CE2 3.82Å; V644-F657 HydrophobicContact CB-CZ 3.6Å; V644-F657 HydrophobicContact CG1-CE1 3.87Å; V644-F657 HydrophobicContact CG1-CE2 4.3Å; V644-F657 HydrophobicContact CG1-CZ 3.6Å; V644-F657 HydrophobicContact CG2-CE2 4.09Å; V644-F657 HydrophobicContact CG2-CZ 4.22Å; V644-F657 PolarHBondContact N-O 2.8Å; V644-F657 PolarHBondContact O-N 3.2Å; V644-F657 VanDerWaalsContact O-O 3.12Å; V646-F657 HydrophobicContact CG2-CE1 4.29Å; L655-F657 HydrophobicContact CD1-CD1 3.76Å; L655-F657 HydrophobicContact CD1-CE1 4.12Å; F657-F667 AromaticContact CD2-CE2 3.97Å; F657-F667 HydrophobicContact CD2-CE2 3.97Å; F657-F667 HydrophobicContact CD2-CZ 4.2Å; F657-F667 HydrophobicContact CE2-CE2 4.11Å; F657-F667 HydrophobicContact CE2-CZ 4.01Å; F657-I681 HydrophobicContact CE1-CD1 3.69Å; F657-I681 HydrophobicContact CZ-CB 4.4Å; F657-I681 HydrophobicContact CZ-CD1 3.55Å; F657-I681 HydrophobicContact CZ-CG2 4.26Å
658	G	89.2	Confident	89.7	Confident	21 Å²	21	63.3 Å²	63.3	22%	0.216	35%	0.348	C	S	.	.			trans	101.3	134.5	-169.7	0	0	0	0	0	113.7	H642 G665	H642-G658 CarbonylContact O-C 3.54Å; G658-G665 VanDerWaalsContact CA-O 3.26Å; G658-G665 WeakPolarHBondContact CA-O 3.29Å
659	S	89.1	Confident	89.8	Confident	64 Å²	64	62.4 Å²	62.4	45%	0.448	34%	0.344	S	S	.	.			trans	-142.1	167.2	165	58.4	0	0	0	0	108.2	H642 G661 Q666 F667	H642-S659 PolarHBondContact O-N 3.33Å; S659-G661 PolarHBondContact O-N 3.21Å; S659-Q666 CarbonylContact O-C 3.59Å; S659-Q666 VanDerWaalsContact O-CA 3.28Å; S659-Q666 WeakPolarHBondContact O-CA 3.34Å; S659-Q666 WeakPolarHBondContact O-CB 3.29Å; S659-F667 PolarHBondContact O-N 2.92Å
660	N	91.6	Very high	90.1	Very high	101 Å²	101	60.5 Å²	60.5	54%	0.54	33%	0.333	S	S	.	.	S	Bend	trans	-66.3	133.2	179	-175.1	37.7	0	0	0	111.7	H642 F667	H642-N660 HydrophobicContact CB-CB 4.05Å; H642-N660 PolarHBondContact CE1-OD1 3.08Å; H642-N660 PolarHBondContact ND1-OD1 3.15Å; N660-F667 WeakPolarHBondContact CA-O 3.46Å
661	G	87.6	Confident	90.4	Very high	19 Å²	19	56.5 Å²	56.5	20%	0.196	32%	0.316	C	S	.	.	S	Bend	trans	149.4	-175.1	174.3	0	0	0	0	0	114.1	S659 N688	S659-G661 PolarHBondContact O-N 3.21Å; G661-N688 PolarHBondContact O-ND2 3.02Å
662	E	87	Confident	90.6	Very high	153 Å²	153	57 Å²	57	72%	0.715	32%	0.321	S	S	*	.	S	Bend	trans	-106	-2.1	-176.9	-62.9	-174.4	-175.7	0	0	113.7	R690	E662-R690 VanDerWaalsContact O-CZ 3.3Å; E662-R690 PolarHBondContact O-NH1 3.18Å; E662-R690 PolarHBondContact O-NH2 3.29Å
663	G	80.1	Confident	90.8	Very high	29 Å²	29	52.9 Å²	52.9	30%	0.299	30%	0.303	S	S	.	.	S	Bend	trans	-69.8	171.6	177.6	0	0	0	0	0	114	G665 Q666 R690	G663-G665 PolarHBondContact O-N 3.37Å; G663-Q666 WeakPolarHBondContact O-CB 3.48Å; G663-Q666 PolarHBondContact O-N 2.67Å; G663-Q666 VanDerWaalsContact O-N 3.16Å; G663-R690 PolarHBondContact O-NH2 2.53Å
664	N	82.7	Confident	90.8	Very high	137 Å²	137	52.6 Å²	52.6	73%	0.733	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	131.1	171.4	-78.1	7.3	0	0	0	110	Q666	N664-Q666 PolarHBondContact O-N 2.68Å
665	G	83.8	Confident	90.9	Very high	36 Å²	36	50.2 Å²	50.2	37%	0.371	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	5.7	-176.3	0	0	0	0	0	114.3	G658 G663	G658-G665 VanDerWaalsContact CA-O 3.26Å; G658-G665 WeakPolarHBondContact CA-O 3.29Å; G663-G665 PolarHBondContact O-N 3.37Å
666	Q	91.7	Very high	90.7	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	30%	0.295	S	S	.	.			trans	-97.6	148.6	164.2	-61.2	-179.5	-20.3	0	0	109.2	S659 G663 N664 R690 Q692	S659-Q666 CarbonylContact O-C 3.59Å; S659-Q666 VanDerWaalsContact O-CA 3.28Å; S659-Q666 WeakPolarHBondContact O-CA 3.34Å; S659-Q666 WeakPolarHBondContact O-CB 3.29Å; G663-Q666 WeakPolarHBondContact O-CB 3.48Å; G663-Q666 PolarHBondContact O-N 2.67Å; G663-Q666 VanDerWaalsContact O-N 3.16Å; N664-Q666 PolarHBondContact O-N 2.68Å; Q666-R690 PolarHBondContact O-NH2 3.12Å; Q666-Q692 PolarHBondContact O-NE2 3.45Å
667	F	93.9	Very high	90.3	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.018	31%	0.311	C	S	.	.			trans	-133.6	144.4	-179	-53.4	-71	0	0	0	111.5	H642 V644 F657 S659 N660 P670 V683 D685 Q692	H642-F667 WeakPolarHBondContact CB-O 3.35Å; H642-F667 PolarHBondContact ND1-O 3.31Å; V644-F667 HydrophobicContact CG2-CD2 4.48Å; V644-F667 HydrophobicContact CG2-CE2 3.94Å; V644-F667 HydrophobicContact CG2-CZ 4.27Å; F657-F667 AromaticContact CD2-CE2 3.97Å; F657-F667 HydrophobicContact CD2-CE2 3.97Å; F657-F667 HydrophobicContact CD2-CZ 4.2Å; F657-F667 HydrophobicContact CE2-CE2 4.11Å; F657-F667 HydrophobicContact CE2-CZ 4.01Å; S659-F667 PolarHBondContact O-N 2.92Å; N660-F667 WeakPolarHBondContact CA-O 3.46Å; F667-P670 HydrophobicContact CB-CB 4.03Å; F667-P670 HydrophobicContact CB-CG 3.91Å; F667-P670 HydrophobicContact CD1-CB 4.46Å; F667-P670 HydrophobicContact CG-CB 4.18Å; F667-P670 HydrophobicContact CG-CG 4.27Å; F667-V683 HydrophobicContact CD1-CG1 4.04Å; F667-V683 HydrophobicContact CE1-CB 3.8Å; F667-V683 HydrophobicContact CE1-CG1 3.74Å; F667-V683 HydrophobicContact CE1-CG2 4.11Å; F667-V683 HydrophobicContact CZ-CB 4.25Å; F667-V683 HydrophobicContact CZ-CG1 4.23Å; F667-V683 HydrophobicContact CZ-CG2 4.03Å; F667-D685 WeakPolarHBondContact CA-OD1 3.43Å; F667-D685 HydrophobicContact CD1-CB 4.1Å; F667-Q692 VanDerWaalsContact CD1-NE2 3.28Å; F667-Q692 HydrophobicContact CE1-CB 4.29Å; F667-Q692 VanDerWaalsContact CE1-NE2 3.32Å
668	N	93.9	Very high	89.7	Confident	54 Å²	54	54.6 Å²	54.6	29%	0.289	33%	0.329	S	S	.	.	S	Bend	trans	-107.9	98.2	167.3	-171.1	-5.5	0	0	0	108.5	D685 G687 N688	N668-D685 PolarHBondContact N-OD1 3.38Å; N668-G687 WeakPolarHBondContact O-CA 3.34Å; N668-G687 PolarHBondContact O-N 3.41Å; N668-N688 HydrophobicContact CB-CB 4.44Å; N668-N688 VanDerWaalsContact CB-CG 3.42Å; N668-N688 WeakPolarHBondContact CB-OD1 3.29Å; N668-N688 PolarHBondContact N-ND2 3.21Å
669	A	93.9	Very high	89.5	Confident	9 Å²	9	54.1 Å²	54.1	7%	0.074	32%	0.324	C	S	.	.	S	Bend	trans	52.4	67.6	179.3	0	0	0	0	0	114.2	F639 H642 W686	F639-A669 HydrophobicContact CD1-CB 4.38Å; F639-A669 HydrophobicContact CD2-CB 3.61Å; F639-A669 VanDerWaalsContact CD2-O 3.24Å; F639-A669 WeakPolarHBondContact CD2-O 3.17Å; F639-A669 HydrophobicContact CE1-CB 4.15Å; F639-A669 HydrophobicContact CE2-CB 3.35Å; F639-A669 VanDerWaalsContact CE2-O 3.25Å; F639-A669 WeakPolarHBondContact CE2-O 3.19Å; F639-A669 HydrophobicContact CG-CB 4.15Å; F639-A669 HydrophobicContact CZ-CB 3.64Å; F639-A669 WeakPolarHBondContact O-CA 3.48Å; H642-A669 PolarHBondContact ND1-N 3.47Å; A669-W686 HydrophobicContact CB-CE3 4.36Å
670	P	96.2	Very high	89.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	144.5	-173.6	27	-33.8	0	0	0	112.5	T637 F667 V683	T637-P670 HydrophobicContact CG2-CB 4.29Å; F667-P670 HydrophobicContact CB-CB 4.03Å; F667-P670 HydrophobicContact CB-CG 3.91Å; F667-P670 HydrophobicContact CD1-CB 4.46Å; F667-P670 HydrophobicContact CG-CB 4.18Å; F667-P670 HydrophobicContact CG-CG 4.27Å; P670-V683 HydrophobicContact CB-CG1 3.81Å
671	T	94.8	Very high	89.6	Confident	29 Å²	29	47.8 Å²	47.8	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-91.3	-169.8	56.7	0	0	0	0	113.2	F625 T637 F639 A684 W686	F625-T671 WeakPolarHBondContact CB-O 3.21Å; F625-T671 WeakPolarHBondContact CD2-O 3.21Å; T637-T671 WeakPolarHBondContact CB-O 3.31Å; T637-T671 PolarHBondContact OG1-O 3.28Å; F639-T671 HydrophobicContact CD2-CG2 4.01Å; F639-T671 HydrophobicContact CE2-CG2 3.85Å; T671-A684 PolarHBondContact N-O 3.4Å; T671-A684 PolarHBondContact OG1-O 2.93Å; T671-W686 HydrophobicContact CG2-CB 3.46Å; T671-W686 VanDerWaalsContact CG2-CB 3.46Å; T671-W686 HydrophobicContact CG2-CG 3.93Å
672	G	93.1	Very high	89.9	Confident	22 Å²	22	49.6 Å²	49.6	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.2	176.6	0	0	0	0	0	112.1	A684	G672-A684 PolarHBondContact O-N 2.94Å
673	V	95.7	Very high	90.3	Very high	20 Å²	20	42.5 Å²	42.5	12%	0.121	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.7	170.8	59.1	0	0	0	0	110	F625 A627 V635 T637 I681 I682	F625-V673 HydrophobicContact CB-CG1 4.16Å; A627-V673 HydrophobicContact CB-CG1 4.21Å; A627-V673 HydrophobicContact CB-CG2 4.43Å; V635-V673 HydrophobicContact CG1-CG2 3.83Å; T637-V673 HydrophobicContact CG2-CB 3.75Å; T637-V673 HydrophobicContact CG2-CG1 3.93Å; V673-I681 HydrophobicContact CG2-CG2 3.55Å; V673-I682 CarbonylContact C-O 3.57Å; V673-I682 VanDerWaalsContact CA-O 3.3Å; V673-I682 WeakPolarHBondContact CA-O 3.37Å
674	A	94.3	Very high	91	Very high	48 Å²	48	42.3 Å²	42.3	40%	0.397	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	163.7	171.2	0	0	0	0	0	109.3	I682	A674-I682 PolarHBondContact N-O 3.39Å; A674-I682 PolarHBondContact O-N 2.88Å
675	V	92.6	Very high	91.6	Very high	33 Å²	33	35.8 Å²	35.8	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.6	172.1	-171.6	0	0	0	0	108.3	A627 N629 V635 N680 I681	A627-V675 HydrophobicContact CB-CG2 3.91Å; N629-V675 HydrophobicContact CB-CB 4.44Å; N629-V675 HydrophobicContact CB-CG1 3.81Å; N629-V675 HydrophobicContact CB-CG2 4.37Å; V635-V675 HydrophobicContact CG2-CG2 4.07Å; V675-N680 CarbonylContact C-O 3.55Å; V675-N680 VanDerWaalsContact CA-O 3.31Å; V675-N680 WeakPolarHBondContact CA-O 3.09Å; V675-I681 HydrophobicContact CG2-CG1 4.28Å
676	D	87.2	Confident	92	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	23%	0.23	C	C	.	.			trans	-85.8	171.3	175.1	78.4	13.8	0	0	0	112.8	N678 G679 N680 K693	D676-N678 PolarHBondContact O-N 3.47Å; D676-N678 VanDerWaalsContact O-N 3.1Å; D676-N678 WeakPolarHBondContact OD1-CA 3.36Å; D676-N678 WeakPolarHBondContact OD1-CB 3.49Å; D676-N678 PolarHBondContact OD1-N 3.22Å; D676-G679 PolarHBondContact O-N 2.85Å; D676-G679 PolarHBondContact OD1-N 3.26Å; D676-N680 VanDerWaalsContact CG-ND2 3.35Å; D676-N680 PolarHBondContact N-O 3.46Å; D676-N680 WeakPolarHBondContact OD1-CB 3.45Å; D676-N680 PolarHBondContact OD1-N 2.94Å; D676-N680 PolarHBondContact OD1-ND2 3.12Å; D676-N680 PolarHBondContact OD2-ND2 3.32Å; D676-K693 WeakPolarHBondContact OD2-CE 3.38Å; D676-K693 IonicContact OD2-NZ 2.73Å; D676-K693 PolarHBondContact OD2-NZ 2.85Å
677	I	84.4	Confident	92	Very high	139 Å²	139	40.2 Å²	40.2	71%	0.713	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.8	-176.3	-166.2	165.2	0	0	0	113.6	N630	N630-I677 PolarHBondContact ND2-O 3.28Å
678	N	81.6	Confident	91.9	Very high	123 Å²	123	41.4 Å²	41.4	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	176.1	-60.9	-10.6	0	0	0	112.2	D676	D676-N678 PolarHBondContact O-N 3.47Å; D676-N678 VanDerWaalsContact O-N 3.1Å; D676-N678 WeakPolarHBondContact OD1-CA 3.36Å; D676-N678 WeakPolarHBondContact OD1-CB 3.49Å; D676-N678 PolarHBondContact OD1-N 3.22Å
679	G	84.2	Confident	91.8	Very high	11 Å²	11	44.3 Å²	44.3	11%	0.113	26%	0.261	C	S	.	.			trans	84.3	8.3	-179.4	0	0	0	0	0	114.9	D676	D676-G679 PolarHBondContact O-N 2.85Å; D676-G679 PolarHBondContact OD1-N 3.26Å
680	N	89.2	Confident	91.7	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.15	27%	0.27	C	S	.	.			trans	-73.9	132.7	176.3	-55.8	-82.1	0	0	0	110.5	V675 D676 K693 G694 A695	V675-N680 CarbonylContact C-O 3.55Å; V675-N680 VanDerWaalsContact CA-O 3.31Å; V675-N680 WeakPolarHBondContact CA-O 3.09Å; D676-N680 VanDerWaalsContact CG-ND2 3.35Å; D676-N680 PolarHBondContact N-O 3.46Å; D676-N680 WeakPolarHBondContact OD1-CB 3.45Å; D676-N680 PolarHBondContact OD1-N 2.94Å; D676-N680 PolarHBondContact OD1-ND2 3.12Å; D676-N680 PolarHBondContact OD2-ND2 3.32Å; N680-K693 HydrophobicContact CB-CD 4.38Å; N680-K693 HydrophobicContact CB-CG 4.13Å; N680-K693 VanDerWaalsContact CG-CE 3.44Å; N680-G694 CarbonylContact C-O 3.59Å; N680-G694 WeakPolarHBondContact CA-O 3.46Å; N680-A695 WeakPolarHBondContact OD1-CA 3.48Å; N680-A695 WeakPolarHBondContact OD1-CB 3.14Å
681	I	92.7	Very high	91.4	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.7	175.6	-57.1	171.1	0	0	0	108.9	V635 V646 F657 V673 V675 V683 K693 G694 L696	V635-I681 HydrophobicContact CG1-CD1 3.77Å; V635-I681 HydrophobicContact CG1-CG1 4.25Å; V635-I681 HydrophobicContact CG1-CG2 3.94Å; V635-I681 HydrophobicContact CG2-CD1 3.97Å; V635-I681 HydrophobicContact CG2-CG1 4.31Å; V646-I681 HydrophobicContact CG2-CD1 4.45Å; F657-I681 HydrophobicContact CE1-CD1 3.69Å; F657-I681 HydrophobicContact CZ-CB 4.4Å; F657-I681 HydrophobicContact CZ-CD1 3.55Å; F657-I681 HydrophobicContact CZ-CG2 4.26Å; V673-I681 HydrophobicContact CG2-CG2 3.55Å; V675-I681 HydrophobicContact CG2-CG1 4.28Å; I681-V683 HydrophobicContact CG2-CG2 3.76Å; I681-K693 WeakPolarHBondContact O-CA 3.21Å; I681-G694 PolarHBondContact N-O 3.49Å; I681-G694 PolarHBondContact O-N 3.17Å; I681-L696 HydrophobicContact CD1-CD1 3.92Å; I681-L696 HydrophobicContact CD1-CD2 3.86Å; I681-L696 HydrophobicContact CD1-CG 3.63Å; I681-L696 HydrophobicContact CG1-CD1 4.11Å; I681-L696 HydrophobicContact CG1-CG 4.01Å
682	I	94.4	Very high	91.2	Very high	57 Å²	57	52.6 Å²	52.6	29%	0.292	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.9	175.7	-56.8	173.7	0	0	0	107.6	V673 A674 I691 Q692 K693	V673-I682 CarbonylContact C-O 3.57Å; V673-I682 VanDerWaalsContact CA-O 3.3Å; V673-I682 WeakPolarHBondContact CA-O 3.37Å; A674-I682 PolarHBondContact N-O 3.39Å; A674-I682 PolarHBondContact O-N 2.88Å; I682-I691 HydrophobicContact CG2-CG2 3.5Å; I682-Q692 CarbonylContact C-O 3.56Å; I682-Q692 WeakPolarHBondContact CA-O 3.34Å; I682-K693 HydrophobicContact CG1-CB 4.42Å; I682-K693 HydrophobicContact CG1-CD 4.48Å; I682-K693 HydrophobicContact CG1-CG 4.14Å
683	V	95.5	Very high	91	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.8	-172.7	-171.6	0	0	0	0	110.5	T637 V644 F667 P670 I681 D685 I691 Q692	T637-V683 HydrophobicContact CG2-CG1 4.31Å; V644-V683 HydrophobicContact CG2-CG1 4.18Å; V644-V683 HydrophobicContact CG2-CG2 4Å; F667-V683 HydrophobicContact CD1-CG1 4.04Å; F667-V683 HydrophobicContact CE1-CB 3.8Å; F667-V683 HydrophobicContact CE1-CG1 3.74Å; F667-V683 HydrophobicContact CE1-CG2 4.11Å; F667-V683 HydrophobicContact CZ-CB 4.25Å; F667-V683 HydrophobicContact CZ-CG1 4.23Å; F667-V683 HydrophobicContact CZ-CG2 4.03Å; P670-V683 HydrophobicContact CB-CG1 3.81Å; I681-V683 HydrophobicContact CG2-CG2 3.76Å; V683-D685 PolarHBondContact O-N 2.99Å; V683-I691 WeakPolarHBondContact O-CA 3.38Å; V683-Q692 PolarHBondContact N-O 3.1Å; V683-Q692 PolarHBondContact O-N 3.45Å
684	A	95.1	Very high	90.3	Very high	26 Å²	26	58.6 Å²	58.6	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	100.8	171.8	0	0	0	0	0	110.5	T671 G672 W686 I691	T671-A684 PolarHBondContact N-O 3.4Å; T671-A684 PolarHBondContact OG1-O 2.93Å; G672-A684 PolarHBondContact O-N 2.94Å; A684-W686 PolarHBondContact O-N 3.27Å; A684-I691 HydrophobicContact CB-CD1 3.82Å
685	D	94.6	Very high	89.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	85	-174.2	-173.8	7.8	0	0	0	109.6	F667 N668 V683 N688 S689 R690 Q692	F667-D685 WeakPolarHBondContact CA-OD1 3.43Å; F667-D685 HydrophobicContact CD1-CB 4.1Å; N668-D685 PolarHBondContact N-OD1 3.38Å; V683-D685 PolarHBondContact O-N 2.99Å; D685-N688 CarbonylContact O-C 3.43Å; D685-N688 PolarHBondContact O-N 2.86Å; D685-N688 PolarHBondContact OD1-ND2 3.03Å; D685-N688 WeakPolarHBondContact OD2-CB 3.27Å; D685-N688 PolarHBondContact OD2-ND2 3.07Å; D685-S689 PolarHBondContact O-N 2.98Å; D685-S689 VanDerWaalsContact O-N 3.09Å; D685-R690 HydrophobicContact CB-CG 3.8Å; D685-R690 WeakPolarHBondContact CB-O 3.49Å; D685-R690 PolarHBondContact N-O 3.39Å; D685-R690 PolarHBondContact O-N 2.88Å; D685-R690 VanDerWaalsContact O-N 3.17Å; D685-R690 IonicContact OD2-CZ 2.78Å; D685-R690 IonicContact OD2-NE 3.89Å; D685-R690 PolarHBondContact OD2-NE 3.1Å; D685-R690 IonicContact OD2-NH2 2.64Å; D685-R690 PolarHBondContact OD2-NH2 3.22Å; D685-R690 VanDerWaalsContact OD2-NH2 3.13Å; D685-Q692 PolarHBondContact OD2-NE2 3.16Å
686	W	93.6	Very high	87.6	Confident	168 Å²	168	59.2 Å²	59.2	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-44.9	-160.8	172.1	80.3	0	0	0	113.7	F639 A669 T671 A684 N688 S689	F639-W686 HydrophobicContact CE2-CE3 4.04Å; F639-W686 HydrophobicContact CZ-CE3 4.15Å; F639-W686 HydrophobicContact CZ-CZ3 4.17Å; A669-W686 HydrophobicContact CB-CE3 4.36Å; T671-W686 HydrophobicContact CG2-CB 3.46Å; T671-W686 VanDerWaalsContact CG2-CB 3.46Å; T671-W686 HydrophobicContact CG2-CG 3.93Å; A684-W686 PolarHBondContact O-N 3.27Å; W686-N688 VanDerWaalsContact C-N 3.27Å; W686-N688 PolarHBondContact O-N 3.07Å; W686-S689 PolarHBondContact O-N 2.74Å; W686-S689 VanDerWaalsContact O-N 3.12Å
687	G	91.2	Very high	85.5	Confident	30 Å²	30	66 Å²	66	31%	0.309	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.9	179	0	0	0	0	0	112.6	N668 S689	N668-G687 WeakPolarHBondContact O-CA 3.34Å; N668-G687 PolarHBondContact O-N 3.41Å; G687-S689 VanDerWaalsContact C-N 3.33Å
688	N	91.4	Very high	83.1	Confident	29 Å²	29	67 Å²	67	16%	0.155	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.2	176.1	-64	-24.7	0	0	0	113.3	G661 N668 D685 W686 R690	G661-N688 PolarHBondContact O-ND2 3.02Å; N668-N688 HydrophobicContact CB-CB 4.44Å; N668-N688 VanDerWaalsContact CB-CG 3.42Å; N668-N688 WeakPolarHBondContact CB-OD1 3.29Å; N668-N688 PolarHBondContact N-ND2 3.21Å; D685-N688 CarbonylContact O-C 3.43Å; D685-N688 PolarHBondContact O-N 2.86Å; D685-N688 PolarHBondContact OD1-ND2 3.03Å; D685-N688 WeakPolarHBondContact OD2-CB 3.27Å; D685-N688 PolarHBondContact OD2-ND2 3.07Å; W686-N688 VanDerWaalsContact C-N 3.27Å; W686-N688 PolarHBondContact O-N 3.07Å; N688-R690 VanDerWaalsContact C-N 3.26Å; N688-R690 HydrophobicContact CB-CG 3.97Å; N688-R690 PolarHBondContact ND2-NH2 3.26Å; N688-R690 PolarHBondContact O-N 3.18Å
689	S	92.5	Very high	80.8	Confident	115 Å²	115	69.2 Å²	69.2	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35	179	-59.1	0	0	0	0	115.2	D685 W686 G687	D685-S689 PolarHBondContact O-N 2.98Å; D685-S689 VanDerWaalsContact O-N 3.09Å; W686-S689 PolarHBondContact O-N 2.74Å; W686-S689 VanDerWaalsContact O-N 3.12Å; G687-S689 VanDerWaalsContact C-N 3.33Å
690	R	90.9	Very high	78.1	Confident	69 Å²	69	76.3 Å²	76.3	26%	0.26	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	166	-174.2	69.2	-176	178.4	174.2	-3	113.6	E662 G663 Q666 D685 N688 Q692	E662-R690 VanDerWaalsContact O-CZ 3.3Å; E662-R690 PolarHBondContact O-NH1 3.18Å; E662-R690 PolarHBondContact O-NH2 3.29Å; G663-R690 PolarHBondContact O-NH2 2.53Å; Q666-R690 PolarHBondContact O-NH2 3.12Å; D685-R690 HydrophobicContact CB-CG 3.8Å; D685-R690 WeakPolarHBondContact CB-O 3.49Å; D685-R690 PolarHBondContact N-O 3.39Å; D685-R690 PolarHBondContact O-N 2.88Å; D685-R690 VanDerWaalsContact O-N 3.17Å; D685-R690 IonicContact OD2-CZ 2.78Å; D685-R690 IonicContact OD2-NE 3.89Å; D685-R690 PolarHBondContact OD2-NE 3.1Å; D685-R690 IonicContact OD2-NH2 2.64Å; D685-R690 PolarHBondContact OD2-NH2 3.22Å; D685-R690 VanDerWaalsContact OD2-NH2 3.13Å; N688-R690 VanDerWaalsContact C-N 3.26Å; N688-R690 HydrophobicContact CB-CG 3.97Å; N688-R690 PolarHBondContact ND2-NH2 3.26Å; N688-R690 PolarHBondContact O-N 3.18Å; R690-Q692 HydrophobicContact CG-CG 4.48Å
691	I	91.3	Very high	75.4	Confident	116 Å²	116	80.6 Å²	80.6	60%	0.595	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	140	163.7	-53.5	-57.2	0	0	0	107.9	I682 V683 A684	I682-I691 HydrophobicContact CG2-CG2 3.5Å; V683-I691 WeakPolarHBondContact O-CA 3.38Å; A684-I691 HydrophobicContact CB-CD1 3.82Å
692	Q	90.1	Very high	72.5	Confident	26 Å²	26	89.3 Å²	89.3	12%	0.121	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.2	168.9	-71.7	-175.7	75.9	0	0	110	Q666 F667 I682 V683 D685 R690	Q666-Q692 PolarHBondContact O-NE2 3.45Å; F667-Q692 VanDerWaalsContact CD1-NE2 3.28Å; F667-Q692 HydrophobicContact CE1-CB 4.29Å; F667-Q692 VanDerWaalsContact CE1-NE2 3.32Å; I682-Q692 CarbonylContact C-O 3.56Å; I682-Q692 WeakPolarHBondContact CA-O 3.34Å; V683-Q692 PolarHBondContact N-O 3.1Å; V683-Q692 PolarHBondContact O-N 3.45Å; D685-Q692 PolarHBondContact OD2-NE2 3.16Å; R690-Q692 HydrophobicContact CG-CG 4.48Å
693	K	88.1	Confident	69.4	Low	130 Å²	130	91.4 Å²	91.4	57%	0.565	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.3	169.6	-179.2	176.6	-174.8	175.3	0	108.7	D676 N680 I681 I682	D676-K693 WeakPolarHBondContact OD2-CE 3.38Å; D676-K693 IonicContact OD2-NZ 2.73Å; D676-K693 PolarHBondContact OD2-NZ 2.85Å; N680-K693 HydrophobicContact CB-CD 4.38Å; N680-K693 HydrophobicContact CB-CG 4.13Å; N680-K693 VanDerWaalsContact CG-CE 3.44Å; I681-K693 WeakPolarHBondContact O-CA 3.21Å; I682-K693 HydrophobicContact CG1-CB 4.42Å; I682-K693 HydrophobicContact CG1-CD 4.48Å; I682-K693 HydrophobicContact CG1-CG 4.14Å
694	G	81.6	Confident	66.5	Low	38 Å²	38	98.2 Å²	98.2	39%	0.392	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.1	173.3	0	0	0	0	0	111.7	N680 I681	N680-G694 CarbonylContact C-O 3.59Å; N680-G694 WeakPolarHBondContact CA-O 3.46Å; I681-G694 PolarHBondContact N-O 3.49Å; I681-G694 PolarHBondContact O-N 3.17Å
695	A	71.6	Confident	63.3	Low	66 Å²	66	100.5 Å²	100.5	55%	0.545	56%	0.561	S	S	.	*			trans	-72.7	142.3	174	0	0	0	0	0	110.9	N680 F697	N680-A695 WeakPolarHBondContact OD1-CA 3.48Å; N680-A695 WeakPolarHBondContact OD1-CB 3.14Å; A695-F697 PolarHBondContact O-N 3.21Å
696	L	58.5	Low	60	Low	29 Å²	29	106.7 Å²	106.7	15%	0.152	60%	0.604	C	S	.	*			trans	-73.3	120.2	161.2	-93.6	167.9	0	0	0	108.7	N629 L655 I681 Q698	N629-L696 VanDerWaalsContact ND2-CD1 3.32Å; N629-L696 WeakPolarHBondContact ND2-CD1 3.42Å; L655-L696 HydrophobicContact CD1-CD2 4.4Å; L655-L696 HydrophobicContact CD2-CD2 4.22Å; I681-L696 HydrophobicContact CD1-CD1 3.92Å; I681-L696 HydrophobicContact CD1-CD2 3.86Å; I681-L696 HydrophobicContact CD1-CG 3.63Å; I681-L696 HydrophobicContact CG1-CD1 4.11Å; I681-L696 HydrophobicContact CG1-CG 4.01Å; L696-Q698 PolarHBondContact O-N 3.47Å
697	F	42.7	Very low	56.9	Low	178 Å²	178	109.8 Å²	109.8	78%	0.781	62%	0.615	S	S	*	*			trans	-65.2	106.8	163.7	-70.5	-77.9	0	0	0	108.4	A695 H699	A695-F697 PolarHBondContact O-N 3.21Å; F697-H699 VanDerWaalsContact C-N 3.34Å; F697-H699 PolarHBondContact O-N 3.43Å
698	Q	34.4	Very low	53.7	Low	160 Å²	160	114.8 Å²	114.8	75%	0.748	64%	0.644	S	S	*	*			trans	-69.2	90.4	174.7	-70.5	-173.9	-8.3	0	0	109.8	L696 Q700	L696-Q698 PolarHBondContact O-N 3.47Å; Q698-Q700 PolarHBondContact O-N 3.31Å
699	H	33.9	Very low	50.6	Low	169 Å²	169	120.8 Å²	120.8	78%	0.782	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-67.8	120.9	162.7	-87.4	-80.1	0	0	0	109	F697 S701	F697-H699 VanDerWaalsContact C-N 3.34Å; F697-H699 PolarHBondContact O-N 3.43Å; H699-S701 PolarHBondContact O-N 2.9Å
700	Q	27.5	Very low	47.4	Very low	161 Å²	161	123.5 Å²	123.5	75%	0.752	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-57.4	134.3	171.6	-67.2	177.6	-9.3	0	0	109.7	Q698 Q702	Q698-Q700 PolarHBondContact O-N 3.31Å; Q700-Q702 PolarHBondContact O-N 3.26Å
701	S	32.3	Very low	44.3	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.3	-178.8	53.1	0	0	0	0	111.3	H699 A703	H699-S701 PolarHBondContact O-N 2.9Å; S701-A703 PolarHBondContact O-N 3.35Å
702	Q	31.9	Very low	41.2	Very low	188 Å²	188	126.9 Å²	126.9	88%	0.879	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.2	130.9	172.1	-72.7	-174.2	-19.3	0	0	110.7	Q700	Q700-Q702 PolarHBondContact O-N 3.26Å
703	A	29.5	Very low	38.2	Very low	101 Å²	101	131.4 Å²	131.4	84%	0.835	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-66	135.9	169.2	0	0	0	0	0	110.3	S701	S701-A703 PolarHBondContact O-N 3.35Å
704	T	34.3	Very low	35.3	Very low	145 Å²	145	131.1 Å²	131.1	89%	0.89	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-70.7	143.1	179.5	53.4	0	0	0	0	112.2
705	G	28.2	Very low	32.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	77%	0.774	S	S	*	*			trans	140.2	41	145.4	0	0	0	0	0	121.3
706	C	24.6	Very low	30.2	Very low	131 Å²	131	137 Å²	137	89%	0.885	78%	0.784	S	S	*	*			trans	-117	101.4	160.2	-77.5	0	0	0	0	111.7
707	R	28.7	Very low	28.8	Very low	233 Å²	233	141.5 Å²	141.5	88%	0.879	82%	0.815	S	S	*	*			trans	-74.2	124.6	161.8	-80.6	-177.3	169.8	-173.4	-2.7	108.7	L709	R707-L709 VanDerWaalsContact C-N 3.26Å; R707-L709 PolarHBondContact O-N 3.24Å
708	C	24.5	Very low	27.9	Very low	135 Å²	135	139.7 Å²	139.7	91%	0.912	82%	0.819	S	S	*	*			trans	-70.2	82.8	167.1	-61.3	0	0	0	0	110.4
709	L	26.5	Very low	27.4	Very low	154 Å²	154	137.9 Å²	137.9	81%	0.806	82%	0.824	S	S	*	*			trans	-74.7	124.5	158.9	-73	171.1	0	0	0	107.9	R707	R707-L709 VanDerWaalsContact C-N 3.26Å; R707-L709 PolarHBondContact O-N 3.24Å
710	M	24.4	Very low	27	Very low	172 Å²	172	135.7 Å²	135.7	85%	0.847	82%	0.823	S	S	*	*			trans	-63.6	142.9	172.2	-71.8	-178.8	166.2	0	0	110	V712	M710-V712 PolarHBondContact O-N 3.31Å
711	P	26.7	Very low	26.8	Very low	124 Å²	124	138.5 Å²	138.5	81%	0.805	83%	0.826	S	S	*	*			trans	-66.3	106.5	175.6	27.1	-33.4	0	0	0	110.1	V713	P711-V713 PolarHBondContact O-N 3.35Å
712	V	24.7	Very low	26.4	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	83%	0.83	S	S	*	*			trans	-68.7	123	171	175.4	0	0	0	0	108.5	M710 P714	M710-V712 PolarHBondContact O-N 3.31Å; V712-P714 WeakPolarHBondContact O-CD 3.39Å
713	V	26.9	Very low	26	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	83%	0.827	S	S	*	*			trans	-63.7	125.8	176.3	178.9	0	0	0	0	109.6	P711 S715	P711-V713 PolarHBondContact O-N 3.35Å; V713-S715 PolarHBondContact O-N 3.28Å
714	P	27.3	Very low	25.8	Very low	123 Å²	123	145.1 Å²	145.1	80%	0.799	83%	0.826	S	S	*	*			trans	-69.2	103.4	175.1	-19.1	32.7	0	0	0	111.2	V712 S716	V712-P714 WeakPolarHBondContact O-CD 3.39Å; P714-S716 PolarHBondContact O-N 3.3Å
715	S	22.5	Very low	25.3	Very low	119 Å²	119	149.5 Å²	149.5	83%	0.832	83%	0.826	S	S	*	*			trans	-78.6	105	172.7	58	0	0	0	0	110.9	V713	V713-S715 PolarHBondContact O-N 3.28Å
716	S	25.2	Very low	25.1	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.4	151.7	161.8	58.4	0	0	0	0	110.4	P714	P714-S716 PolarHBondContact O-N 3.3Å
717	P	28.2	Very low	25.2	Very low	124 Å²	124	150.3 Å²	150.3	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-83.6	152	-150	30.7	-36.6	0	0	0	115.4	S719	P717-S719 PolarHBondContact O-N 2.99Å
718	T	23.3	Very low	25	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.7	116.2	172.2	49.3	0	0	0	0	112.1
719	S	25	Very low	25.1	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-99	150.2	158.7	-171.7	0	0	0	0	110.2	P717	P717-S719 PolarHBondContact O-N 2.99Å
720	T	24.9	Very low	25.1	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-99.3	139.7	-163.4	54	0	0	0	0	114.8
721	R	22.9	Very low	25.1	Very low	220 Å²	220	143.9 Å²	143.9	83%	0.83	78%	0.784	S	S	*	*			trans	66.9	99.8	136.1	-171.7	-169.9	-170.5	-176.8	5	119.4
722	R	24.5	Very low	25	Very low	241 Å²	241	148.8 Å²	148.8	91%	0.909	79%	0.786	S	S	*	*			trans	-166.1	118.3	134.4	-98.2	157.2	-168.1	-161.6	3.2	106.8
723	Q	22.6	Very low	25	Very low	171 Å²	171	150.6 Å²	150.6	80%	0.799	79%	0.786	S	S	*	*				55.5	87	68.2	-80.5	-167.2	-34.9	0	0	115.7
724	T	26.5	Very low	24.9	Very low	134 Å²	134	150.2 Å²	150.2	82%	0.822	79%	0.788	S	S	*	*				-172	138.6	123.6	29.3	0	0	0	0	107.7
725	R	23.1	Very low	25.3	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	79%	0.785	S	S	*	*				42.9	133.5	86.4	-77.8	-172.4	172.8	-177.7	-2.6	114.2
726	S	24.1	Very low	25.5	Very low	89 Å²	89	151.9 Å²	151.9	62%	0.622	79%	0.786	S	S	*	*			cis	-171.7	171.6	-7.3	53.2	0	0	0	0	110.5
727	T	26.3	Very low	25.5	Very low	134 Å²	134	153.8 Å²	153.8	82%	0.822	79%	0.794	S	S	*	*			trans	61.9	152.8	152.5	45.9	0	0	0	0	119.2
728	A	26.1	Very low	25.3	Very low	73 Å²	73	155.8 Å²	155.8	60%	0.603	80%	0.798	S	S	*	*			cis	-171.9	171.9	-23.6	0	0	0	0	0	109.3
729	H	26.3	Very low	25.5	Very low	166 Å²	166	157 Å²	157	77%	0.769	80%	0.796	S	S	*	*			trans	68.4	143.2	173.5	-70	-92.2	0	0	0	115.7
730	R	25	Very low	25.5	Very low	208 Å²	208	159.5 Å²	159.5	79%	0.785	79%	0.786	S	S	*	*			cis	72.9	133.6	41.6	-72.5	-160	-177.6	-164	3.7	112.4
731	D	25.1	Very low	25.4	Very low	112 Å²	112	164 Å²	164	60%	0.599	79%	0.79	S	S	*	*			cis	-151	-172.3	4.9	-86.3	-38.1	0	0	0	109.9
732	W	25.4	Very low	25.5	Very low	227 Å²	227	156.7 Å²	156.7	86%	0.86	77%	0.773	S	S	*	*			trans	88.9	105.1	156.9	-64.2	97.6	0	0	0	121.9
733	H	24.1	Very low	25.5	Very low	170 Å²	170	154.5 Å²	154.5	79%	0.787	77%	0.773	S	S	*	*			trans	-26	132.8	148	-64.7	-104.2	0	0	0	117.5
734	S	25.6	Very low	25.6	Very low	113 Å²	113	153.5 Å²	153.5	79%	0.79	77%	0.771	S	S	*	*				171	155.1	104.7	-72.4	0	0	0	0	111.9
735	P	35	Very low	25.6	Very low	114 Å²	114	155.2 Å²	155.2	74%	0.74	77%	0.774	S	S	*	*			trans	-100.1	-178.8	-172.4	39.5	-36.4	0	0	0	115
736	L	25.8	Very low	25.7	Very low	163 Å²	163	147.4 Å²	147.4	85%	0.853	76%	0.761	S	S	*	*			trans	87.1	101	170.6	-56.8	169.6	0	0	0	117.6
737	T	25.3	Very low	25.8	Very low	149 Å²	149	149.4 Å²	149.4	91%	0.914	77%	0.769	S	S	*	*			trans	-167.8	105.9	130.1	34.3	0	0	0	0	109.8
738	D	25.4	Very low	25.7	Very low	166 Å²	166	149.5 Å²	149.5	89%	0.888	77%	0.77	S	S	*	*			trans	-96.7	128.2	159.3	-87.2	-49.7	0	0	0	108.6
739	M	25.9	Very low	25.7	Very low	166 Å²	166	150.5 Å²	150.5	82%	0.818	78%	0.778	S	S	*	*			trans	-168	137.4	161.2	-110.1	-164.7	168.1	0	0	115.2
740	W	25.3	Very low	25.6	Very low	173 Å²	173	147 Å²	147	66%	0.655	77%	0.773	S	S	*	*			trans	76.6	144.8	158.7	-60.3	19.6	0	0	0	117.3
741	W	23.1	Very low	25.7	Very low	217 Å²	217	146.8 Å²	146.8	82%	0.822	78%	0.777	S	S	*	*			cis	-120.3	157.5	5.9	-74.3	73.5	0	0	0	112.4
742	S	24.8	Very low	25.6	Very low	68 Å²	68	147 Å²	147	48%	0.476	79%	0.787	S	S	.	*			cis	114.8	65.4	0.7	-59.5	0	0	0	0	117.7
743	Q	25.1	Very low	25.6	Very low	194 Å²	194	143.4 Å²	143.4	91%	0.907	79%	0.791	S	S	*	*			trans	-141	111.1	158.4	-95.7	173.2	-5.1	0	0	109.5
744	I	25	Very low	25.6	Very low	150 Å²	150	139.6 Å²	139.6	77%	0.769	79%	0.789	S	S	*	*				80.9	104.7	54.1	-61	168.5	0	0	0	113
745	L	26.7	Very low	25.4	Very low	170 Å²	170	142.5 Å²	142.5	89%	0.89	79%	0.793	S	S	*	*			trans	-148.7	140.9	138.7	-110.1	171.7	0	0	0	110.5
746	A	25.2	Very low	24.7	Very low	74 Å²	74	142.5 Å²	142.5	61%	0.612	80%	0.795	S	S	*	*			trans	-20.4	131.2	179.4	0	0	0	0	0	118.2
747	T	24.4	Very low	24.5	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	79%	0.79	S	S	*	*				54.5	130.7	68.7	70.2	0	0	0	0	113.2
748	T	25.2	Very low	24.4	Very low	137 Å²	137	137.8 Å²	137.8	84%	0.84	78%	0.782	S	S	*	*				-143.9	165.9	50.9	43.5	0	0	0	0	115.7
749	A	25.9	Very low	24.4	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	78%	0.776	S	S	*	*			trans	-101.1	-176.7	165.1	0	0	0	0	0	109.3
750	S	25	Very low	24.6	Very low	94 Å²	94	132.4 Å²	132.4	66%	0.657	77%	0.771	S	S	*	*			cis	-170.3	178.6	22.9	64.1	0	0	0	0	112.2
751	K	26.5	Very low	24.5	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	78%	0.775	S	S	*	*			trans	79.1	138.1	155.3	-72.5	173.8	-179.3	179.6	0	119.5
752	S	23.7	Very low	24.5	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	77%	0.772	S	S	*	*			trans	-105.9	149	-178.1	31.4	0	0	0	0	112.3
753	T	24.8	Very low	24.3	Very low	153 Å²	153	133.3 Å²	133.3	94%	0.939	78%	0.783	S	S	*	*			trans	-157.8	160.4	144.3	15.2	0	0	0	0	109.1
754	A	23.8	Very low	24.1	Very low	89 Å²	89	129.8 Å²	129.8	74%	0.736	78%	0.778	S	S	*	*			trans	-93	157.5	-177.1	0	0	0	0	0	112.6
755	I	22	Very low	24.1	Very low	174 Å²	174	129.7 Å²	129.7	89%	0.892	78%	0.778	S	S	*	*			trans	-173.5	165.1	132.7	-97.9	156.4	0	0	0	110.7
756	C	20.8	Very low	24.1	Very low	114 Å²	114	129.7 Å²	129.7	77%	0.77	78%	0.778	S	S	*	*			trans	-67.4	-176.7	-171.7	-153.1	0	0	0	0	115.8
757	S	21.4	Very low	24.4	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	79%	0.788	S	S	*	*			trans	76.4	147.9	178.8	79.5	0	0	0	0	115.7
758	S	22.8	Very low	24.4	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	78%	0.78	S	S	*	*			cis	-160.4	158.7	-10.3	36.3	0	0	0	0	111.5
759	S	24.5	Very low	24.4	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	79%	0.785	S	S	*	*			trans	-90.4	147.5	166.7	-47.6	0	0	0	0	111.8
760	P	30.4	Very low	24.3	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	78%	0.784	S	S	*	*				-128.4	147.6	129.9	8.8	13.4	0	0	0	110.8
761	F	22.9	Very low	24.2	Very low	167 Å²	167	137.2 Å²	137.2	73%	0.732	80%	0.798	S	S	*	*			cis	64.6	134.6	49.2	-74.3	-69	0	0	0	113.4
762	Y	22.9	Very low	24.1	Very low	196 Å²	196	134.9 Å²	134.9	77%	0.769	79%	0.794	S	S	*	*			cis	-129.4	-164.2	3.1	-62.5	-89.5	0	0	0	108.9
763	T	22	Very low	24.1	Very low	114 Å²	114	138.9 Å²	138.9	70%	0.699	80%	0.8	S	S	*	*			cis	-159	139.2	8	-30.7	0	0	0	0	111.1
764	C	21.4	Very low	23.9	Very low	120 Å²	120	142 Å²	142	81%	0.811	80%	0.795	S	S	*	*			trans	175.5	95.5	141.8	-93.6	0	0	0	0	108.8
765	L	23.7	Very low	23.9	Very low	148 Å²	148	144.5 Å²	144.5	78%	0.775	80%	0.795	S	S	*	*				75.1	96.1	83.5	-76.2	171	0	0	0	115
766	L	26.6	Very low	24	Very low	170 Å²	170	144 Å²	144	89%	0.89	79%	0.789	S	S	*	*			trans	-135.5	139.6	150	-76.1	176.4	0	0	0	107.6
767	P	32.7	Very low	24.1	Very low	126 Å²	126	146.8 Å²	146.8	82%	0.818	79%	0.79	S	S	*	*				-138.2	166.2	111.5	38.1	-27.2	0	0	0	112
768	G	24	Very low	24.2	Very low	60 Å²	60	147 Å²	147	62%	0.619	79%	0.792	S	S	*	*			cis	174.6	-165.8	0.8	0	0	0	0	0	110.9
769	N	24.8	Very low	24.5	Very low	176 Å²	176	145.3 Å²	145.3	94%	0.941	78%	0.784	S	S	*	*			trans	66.7	131.8	-175	-54.1	-24.8	0	0	0	115.1
770	G	23.7	Very low	24.4	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	79%	0.786	S	S	*	*			cis	135.6	106.1	-14.6	0	0	0	0	0	114.3
771	R	23.4	Very low	24.2	Very low	249 Å²	249	149 Å²	149	94%	0.94	78%	0.78	S	S	*	*			trans	-158.3	144.3	149.9	-120.5	176.2	-175	177.6	0.4	110.8
772	L	23.1	Very low	24.3	Very low	154 Å²	154	147.3 Å²	147.3	81%	0.806	78%	0.779	S	S	*	*			trans	-80.2	150.3	161.7	-72.5	73.8	0	0	0	108.1
773	E	24.1	Very low	24.3	Very low	199 Å²	199	142.7 Å²	142.7	93%	0.93	78%	0.775	S	S	*	*			trans	-139.9	168.6	130.3	-134.4	151.9	-129	0	0	109.3
774	R	21.4	Very low	24.4	Very low	218 Å²	218	142.1 Å²	142.1	82%	0.823	78%	0.775	S	S	*	*			trans	-139.6	-178.4	-161	-145.5	-175.5	-163.7	-176.3	5.8	109.4
775	L	23.7	Very low	24.5	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	77%	0.769	S	S	*	*			trans	76.1	144.1	179.9	-41.7	168	0	0	0	112.7
776	E	23.4	Very low	24.6	Very low	163 Å²	163	143.2 Å²	143.2	76%	0.762	77%	0.767	S	S	*	*			cis	-152	131	-16.9	-116.5	161.8	-173.8	0	0	106.4
777	H	23.1	Very low	24.5	Very low	173 Å²	173	139.8 Å²	139.8	80%	0.801	76%	0.757	S	S	*	*				65.9	54.7	69.5	-100	-83.2	0	0	0	117.3
778	S	24.7	Very low	24.1	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	76%	0.76	S	S	*	*			trans	-141.2	104.7	133.6	48.9	0	0	0	0	108.3
779	A	27.6	Very low	24.1	Very low	71 Å²	71	148.3 Å²	148.3	59%	0.587	77%	0.767	S	S	*	*			cis	62.4	137.2	49.4	0	0	0	0	0	111.6
780	F	23.8	Very low	24.1	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.794	76%	0.759	S	S	*	*			cis	-171.5	164.5	3.8	-122.8	-159.2	0	0	0	105.3
781	I	26	Very low	24.2	Very low	114 Å²	114	145.4 Å²	145.4	59%	0.585	75%	0.752	S	S	*	*			cis	-154.9	176.2	-9.4	-149.8	-176.4	0	0	0	108.6
782	N	23.5	Very low	24.4	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	75%	0.748	S	S	*	*			trans	-23.5	166.3	152.2	-52.5	-22.8	0	0	0	115.5
783	S	24	Very low	24.7	Very low	99 Å²	99	143.5 Å²	143.5	69%	0.692	77%	0.773	S	S	*	*				-177.3	140.8	52.1	76.9	0	0	0	0	110.4
784	S	23.6	Very low	24.7	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	77%	0.765	S	S	*	*				84	157.3	102.4	-71.9	0	0	0	0	113.6
785	I	24.3	Very low	24.9	Very low	131 Å²	131	136.7 Å²	136.7	67%	0.672	76%	0.762	S	S	*	*			cis	-158.5	173.9	1.5	-126.6	165.7	0	0	0	111
786	H	24.2	Very low	25	Very low	161 Å²	161	136.3 Å²	136.3	75%	0.745	76%	0.763	S	S	*	*			trans	65.5	126.7	173.4	-64.6	-44.3	0	0	0	116.9
787	S	25.4	Very low	25.1	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	76%	0.763	S	S	*	*			cis	87.9	121.8	25.5	86.8	0	0	0	0	116.1
788	F	23.7	Very low	25.2	Very low	197 Å²	197	132.4 Å²	132.4	86%	0.864	76%	0.761	S	S	*	*			trans	-47.3	144.7	173	-79.2	-113.8	0	0	0	114.6
789	H	24.5	Very low	25.2	Very low	168 Å²	168	133.7 Å²	133.7	78%	0.778	76%	0.759	S	S	*	*				-171.3	136.5	107.7	-118.3	-76.6	0	0	0	114.5
790	C	25.3	Very low	25.1	Very low	115 Å²	115	138.2 Å²	138.2	78%	0.777	77%	0.772	S	S	*	*			trans	60.3	156.6	149.7	-81.1	0	0	0	0	120.2
791	A	24.8	Very low	25.2	Very low	74 Å²	74	134.9 Å²	134.9	61%	0.612	77%	0.77	S	S	*	*			cis	-158.1	157.9	-1.5	0	0	0	0	0	112.6
792	I	28.5	Very low	25.1	Very low	167 Å²	167	136.7 Å²	136.7	86%	0.856	79%	0.785	S	S	*	*			trans	55.9	110.7	149.9	-60.3	159.5	0	0	0	117.6
793	C	29.4	Very low	25.2	Very low	197 Å²	197	137 Å²	137	100%	1.331	79%	0.792	S	S	*	*				-144.5	0	111.5	-151.2	0	0	0	0	109.9

Retrieved 793 of 793 residues in 1338.3 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).