A0A093HZQ3_STRCA Loading...

B-cell lymphoma 6 protein

AlphaFold DB , UniProt , Accession A0A093HZQ3, Species STRCA (Struthio camelus australis), Gene n/a, Length 709 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	28.6	Very low	29.7	Very low	245 Å²	245	99.5 Å²	99.5	100%	1.207	57%	0.57	S	S	*	*				0	115.6	0	-65.7	-52.9	-171.8	0	0	108.3
2	A	22.8	Very low	29.9	Very low	77 Å²	77	95.9 Å²	95.9	64%	0.636	55%	0.551	S	S	*	*			trans	-116.1	158.5	161.8	0	0	0	0	0	106.7	D6	A2-D6 HydrophobicContact CB-CB 4.42Å
3	S	26.9	Very low	30.1	Very low	56 Å²	56	102.2 Å²	102.2	39%	0.392	56%	0.56	S	S	.	*			trans	-68.2	147.7	-176.4	-176	0	0	0	0	110.8	A5 D6 S7	S3-A5 PolarHBondContact O-N 3.41Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 WeakPolarHBondContact OG-CB 3.47Å; S3-A5 PolarHBondContact OG-N 3.39Å; S3-D6 VanDerWaalsContact CB-OD2 3.25Å; S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact N-OD2 3.47Å; S3-D6 WeakPolarHBondContact O-CB 3.45Å; S3-D6 PolarHBondContact O-N 3.43Å; S3-S7 PolarHBondContact O-N 2.96Å
4	P	34.1	Very low	30.4	Very low	104 Å²	104	104.2 Å²	104.2	68%	0.675	56%	0.563	S	S	*	*	H	α-helix	trans	-51.4	-30.9	164.2	-26.3	35.6	0	0	0	112.3	S7 C8	P4-S7 PolarHBondContact O-N 3.33Å; P4-C8 WeakPolarHBondContact O-CB 3.32Å; P4-C8 PolarHBondContact O-N 3.21Å
5	A	31.2	Very low	30.9	Very low	52 Å²	52	99.7 Å²	99.7	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-62.2	-39.1	172.9	0	0	0	0	0	113	S3 C8 I9	S3-A5 PolarHBondContact O-N 3.41Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 WeakPolarHBondContact OG-CB 3.47Å; S3-A5 PolarHBondContact OG-N 3.39Å; A5-C8 CarbonylContact O-C 3.57Å; A5-C8 PolarHBondContact O-N 3.2Å; A5-I9 WeakPolarHBondContact O-CB 3.3Å; A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.22Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.07Å
6	D	28.2	Very low	31.4	Very low	74 Å²	74	97.3 Å²	97.3	40%	0.396	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-43.2	179	-61.7	-53.7	0	0	0	111.1	A2 S3 C8 I9 Q10	A2-D6 HydrophobicContact CB-CB 4.42Å; S3-D6 VanDerWaalsContact CB-OD2 3.25Å; S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact N-OD2 3.47Å; S3-D6 WeakPolarHBondContact O-CB 3.45Å; S3-D6 PolarHBondContact O-N 3.43Å; D6-C8 VanDerWaalsContact C-N 3.3Å; D6-C8 PolarHBondContact O-N 3.29Å; D6-I9 PolarHBondContact O-N 2.94Å; D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 WeakPolarHBondContact O-CG 3.47Å; D6-Q10 PolarHBondContact O-N 2.93Å
7	S	31.9	Very low	31.9	Very low	76 Å²	76	96.3 Å²	96.3	53%	0.531	53%	0.532	S	S	.	.	H	α-helix	trans	-61.8	-38.2	172.1	-66.2	0	0	0	0	111.6	S3 P4 Q10 F11	S3-S7 PolarHBondContact O-N 2.96Å; P4-S7 PolarHBondContact O-N 3.33Å; S7-Q10 PolarHBondContact O-N 2.88Å; S7-F11 VanDerWaalsContact O-CB 3.26Å; S7-F11 WeakPolarHBondContact O-CB 3.3Å; S7-F11 PolarHBondContact O-N 3.38Å
8	C	30.4	Very low	32.3	Very low	40 Å²	40	94.7 Å²	94.7	27%	0.27	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-35.5	176.2	-159.4	0	0	0	0	112.6	P4 A5 D6 F11 T12 I85	P4-C8 WeakPolarHBondContact O-CB 3.32Å; P4-C8 PolarHBondContact O-N 3.21Å; A5-C8 CarbonylContact O-C 3.57Å; A5-C8 PolarHBondContact O-N 3.2Å; D6-C8 VanDerWaalsContact C-N 3.3Å; D6-C8 PolarHBondContact O-N 3.29Å; C8-F11 PolarHBondContact O-N 2.86Å; C8-T12 WeakPolarHBondContact O-CB 3.49Å; C8-T12 WeakPolarHBondContact O-CG2 3.4Å; C8-T12 PolarHBondContact O-N 3.32Å; C8-T12 PolarHBondContact O-OG1 2.88Å; C8-I85 WeakPolarHBondContact SG-CD1 3.42Å
9	I	31.4	Very low	32.9	Very low	86 Å²	86	95.9 Å²	95.9	44%	0.441	53%	0.53	S	S	.	.	H	α-helix	trans	-68.6	-38	173.6	-71.1	162.6	0	0	0	110.7	A5 D6 T12 R13	A5-I9 WeakPolarHBondContact O-CB 3.3Å; A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.22Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.07Å; D6-I9 PolarHBondContact O-N 2.94Å; I9-T12 WeakPolarHBondContact CA-OG1 3.24Å; I9-T12 PolarHBondContact O-OG1 2.89Å; I9-R13 VanDerWaalsContact O-CB 3.32Å; I9-R13 WeakPolarHBondContact O-CB 3.46Å; I9-R13 VanDerWaalsContact O-CG 3.32Å; I9-R13 WeakPolarHBondContact O-CG 3.49Å; I9-R13 PolarHBondContact O-N 3.34Å
10	Q	30.8	Very low	33.5	Very low	141 Å²	141	95.4 Å²	95.4	66%	0.659	53%	0.526	S	S	*	.	H	α-helix	trans	-68.9	-41.5	172.5	-71.2	-178.9	20.3	0	0	111.7	D6 S7 R13 H14	D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 WeakPolarHBondContact O-CG 3.47Å; D6-Q10 PolarHBondContact O-N 2.93Å; S7-Q10 PolarHBondContact O-N 2.88Å; Q10-R13 PolarHBondContact O-N 3.22Å; Q10-H14 VanDerWaalsContact O-CB 3.29Å; Q10-H14 WeakPolarHBondContact O-CB 3.25Å; Q10-H14 PolarHBondContact O-N 3.19Å
11	F	30.3	Very low	33.8	Very low	143 Å²	143	94.2 Å²	94.2	63%	0.627	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-44.2	175.9	-174.2	-95.1	0	0	0	112	S7 C8 H14 A15	S7-F11 VanDerWaalsContact O-CB 3.26Å; S7-F11 WeakPolarHBondContact O-CB 3.3Å; S7-F11 PolarHBondContact O-N 3.38Å; C8-F11 PolarHBondContact O-N 2.86Å; F11-H14 PolarHBondContact O-N 3.39Å; F11-A15 VanDerWaalsContact O-CB 3.22Å; F11-A15 WeakPolarHBondContact O-CB 3.22Å; F11-A15 PolarHBondContact O-N 3.23Å
12	T	32.8	Very low	34.3	Very low	57 Å²	57	85.5 Å²	85.5	35%	0.35	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-34.5	176.8	50.4	0	0	0	0	112.5	C8 I9 S16	C8-T12 WeakPolarHBondContact O-CB 3.49Å; C8-T12 WeakPolarHBondContact O-CG2 3.4Å; C8-T12 PolarHBondContact O-N 3.32Å; C8-T12 PolarHBondContact O-OG1 2.88Å; I9-T12 WeakPolarHBondContact CA-OG1 3.24Å; I9-T12 PolarHBondContact O-OG1 2.89Å; T12-S16 WeakPolarHBondContact O-CB 3.4Å; T12-S16 PolarHBondContact O-N 3.1Å; T12-S16 PolarHBondContact O-OG 3.23Å
13	R	32.3	Very low	35.2	Very low	178 Å²	178	86.5 Å²	86.5	67%	0.672	47%	0.472	S	S	*	.	H	α-helix	trans	-62	-49.8	166.1	-79.8	-177.2	179.1	-178.6	2.3	111.5	I9 Q10 A15 S16 D17	I9-R13 VanDerWaalsContact O-CB 3.32Å; I9-R13 WeakPolarHBondContact O-CB 3.46Å; I9-R13 VanDerWaalsContact O-CG 3.32Å; I9-R13 WeakPolarHBondContact O-CG 3.49Å; I9-R13 PolarHBondContact O-N 3.34Å; Q10-R13 PolarHBondContact O-N 3.22Å; R13-A15 VanDerWaalsContact C-N 3.33Å; R13-A15 PolarHBondContact O-N 3.09Å; R13-S16 PolarHBondContact O-N 2.75Å; R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 2.92Å
14	H	34.6	Very low	35.9	Very low	130 Å²	130	89.8 Å²	89.8	60%	0.602	48%	0.475	S	S	*	.	H	α-helix	trans	-65	-36.9	-178.9	-163.5	-38.9	0	0	0	111.9	Q10 F11 V18	Q10-H14 VanDerWaalsContact O-CB 3.29Å; Q10-H14 WeakPolarHBondContact O-CB 3.25Å; Q10-H14 PolarHBondContact O-N 3.19Å; F11-H14 PolarHBondContact O-N 3.39Å; H14-V18 VanDerWaalsContact O-CB 3.3Å; H14-V18 WeakPolarHBondContact O-CB 3.48Å; H14-V18 WeakPolarHBondContact O-CG2 3.22Å; H14-V18 PolarHBondContact O-N 3.15Å
15	A	37.1	Very low	36.1	Very low	36 Å²	36	87.5 Å²	87.5	30%	0.298	46%	0.457	S	S	.	.	H	α-helix	trans	-69.7	-41.1	173.7	0	0	0	0	0	111.7	F11 R13 V18 L19	F11-A15 VanDerWaalsContact O-CB 3.22Å; F11-A15 WeakPolarHBondContact O-CB 3.22Å; F11-A15 PolarHBondContact O-N 3.23Å; R13-A15 VanDerWaalsContact C-N 3.33Å; R13-A15 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 2.98Å; A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 VanDerWaalsContact O-CG 3.23Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.34Å
16	S	38.6	Very low	36.4	Very low	61 Å²	61	92.9 Å²	92.9	43%	0.427	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-42.4	174.1	-61.6	0	0	0	0	111.5	T12 R13 L19 L20	T12-S16 WeakPolarHBondContact O-CB 3.4Å; T12-S16 PolarHBondContact O-N 3.1Å; T12-S16 PolarHBondContact O-OG 3.23Å; R13-S16 PolarHBondContact O-N 2.75Å; S16-L19 PolarHBondContact O-N 2.92Å; S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 WeakPolarHBondContact O-CG 3.49Å; S16-L20 PolarHBondContact O-N 3.48Å
17	D	40.1	Very low	37	Very low	81 Å²	81	93.7 Å²	93.7	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-69.8	-35	175.3	-91	-41.9	0	0	0	112.3	R13 N21	R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 2.92Å; D17-N21 WeakPolarHBondContact O-CB 3.4Å; D17-N21 PolarHBondContact O-N 2.92Å; D17-N21 PolarHBondContact O-ND2 2.75Å
18	V	39.8	Very low	37.4	Very low	67 Å²	67	97.7 Å²	97.7	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-47.9	170.7	163.4	0	0	0	0	110.2	H14 A15 N21 L22	H14-V18 VanDerWaalsContact O-CB 3.3Å; H14-V18 WeakPolarHBondContact O-CB 3.48Å; H14-V18 WeakPolarHBondContact O-CG2 3.22Å; H14-V18 PolarHBondContact O-N 3.15Å; A15-V18 PolarHBondContact O-N 2.98Å; V18-N21 PolarHBondContact O-N 3.36Å; V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.34Å; V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.41Å
19	L	43.1	Very low	37.8	Very low	119 Å²	119	100.8 Å²	100.8	62%	0.623	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-42.8	177.4	-71.5	169.2	0	0	0	112.1	A15 S16 L22 N23	A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 VanDerWaalsContact O-CG 3.23Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.34Å; S16-L19 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.45Å; L19-N23 VanDerWaalsContact O-CB 3.25Å; L19-N23 WeakPolarHBondContact O-CB 3.44Å; L19-N23 PolarHBondContact O-N 2.77Å
20	L	45.6	Very low	38.2	Very low	85 Å²	85	101.7 Å²	101.7	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-38.3	175.6	-76.1	169.2	0	0	0	111.6	S16 N23 R24	S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 WeakPolarHBondContact O-CG 3.49Å; S16-L20 PolarHBondContact O-N 3.48Å; L20-N23 PolarHBondContact O-N 3.31Å; L20-R24 VanDerWaalsContact O-CB 3.28Å; L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 WeakPolarHBondContact O-CD 3.32Å; L20-R24 WeakPolarHBondContact O-CG 3.45Å; L20-R24 PolarHBondContact O-N 2.88Å
21	N	39.3	Very low	38.3	Very low	71 Å²	71	98.4 Å²	98.4	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-74.5	-37.8	176.6	-72.7	-46.9	0	0	0	112	D17 V18 N23 R24 L25	D17-N21 WeakPolarHBondContact O-CB 3.4Å; D17-N21 PolarHBondContact O-N 2.92Å; D17-N21 PolarHBondContact O-ND2 2.75Å; V18-N21 PolarHBondContact O-N 3.36Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact O-N 3.47Å; N21-R24 CarbonylContact O-C 3.5Å; N21-R24 PolarHBondContact O-N 2.91Å; N21-R24 PolarHBondContact OD1-NH1 2.9Å; N21-L25 WeakPolarHBondContact O-CB 3.37Å; N21-L25 WeakPolarHBondContact O-CG 3.42Å; N21-L25 PolarHBondContact O-N 3.13Å
22	L	40.1	Very low	38.4	Very low	61 Å²	61	98 Å²	98	32%	0.319	50%	0.496	S	S	.	.	H	α-helix	trans	-59.1	-43.2	168.4	-73.2	170.7	0	0	0	110.8	V18 L19 L25 R26 L31 V34	V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.34Å; V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.41Å; L19-L22 PolarHBondContact O-N 3.45Å; L22-L25 PolarHBondContact O-N 2.78Å; L22-R26 VanDerWaalsContact O-CB 3.23Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 PolarHBondContact O-N 2.9Å; L22-L31 HydrophobicContact CD2-CD1 3.62Å; L22-V34 HydrophobicContact CD2-CG2 4.3Å
23	N	40.4	Very low	38.2	Very low	99 Å²	99	101.4 Å²	101.4	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-69.9	-35.1	177.1	-152.3	-0	0	0	0	112.3	L19 L20 N21 S27	L19-N23 VanDerWaalsContact O-CB 3.25Å; L19-N23 WeakPolarHBondContact O-CB 3.44Å; L19-N23 PolarHBondContact O-N 2.77Å; L20-N23 PolarHBondContact O-N 3.31Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact O-N 3.47Å; N23-S27 WeakPolarHBondContact O-CB 3.42Å; N23-S27 PolarHBondContact O-N 3.32Å; N23-S27 PolarHBondContact O-OG 3.04Å
24	R	41.8	Very low	38.1	Very low	124 Å²	124	97.1 Å²	97.1	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-68.2	-30.2	170.7	-75.1	163.9	176	169.9	1.6	113.2	L20 N21 S27 R28	L20-R24 VanDerWaalsContact O-CB 3.28Å; L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 WeakPolarHBondContact O-CD 3.32Å; L20-R24 WeakPolarHBondContact O-CG 3.45Å; L20-R24 PolarHBondContact O-N 2.88Å; N21-R24 CarbonylContact O-C 3.5Å; N21-R24 PolarHBondContact O-N 2.91Å; N21-R24 PolarHBondContact OD1-NH1 2.9Å; R24-S27 VanDerWaalsContact CA-OG 3.32Å; R24-S27 WeakPolarHBondContact CA-OG 3.41Å; R24-S27 PolarHBondContact O-OG 3.2Å; R24-R28 VanDerWaalsContact O-CD 3.24Å; R24-R28 WeakPolarHBondContact O-CD 3.32Å; R24-R28 WeakPolarHBondContact O-CG 3.34Å
25	L	37.5	Very low	37.8	Very low	56 Å²	56	96.9 Å²	96.9	29%	0.293	51%	0.513	S	S	.	.	H	α-helix	trans	-82.3	-37.2	176.6	-70.8	166.8	0	0	0	111.2	N21 L22 R28 D29 I30 L31	N21-L25 WeakPolarHBondContact O-CB 3.37Å; N21-L25 WeakPolarHBondContact O-CG 3.42Å; N21-L25 PolarHBondContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 2.78Å; L25-R28 PolarHBondContact O-N 3.49Å; L25-D29 PolarHBondContact O-N 3.3Å; L25-I30 HydrophobicContact CD2-CB 4.25Å; L25-I30 HydrophobicContact CD2-CD1 4.05Å; L25-I30 HydrophobicContact CD2-CG2 4.08Å; L25-I30 PolarHBondContact O-N 3.23Å; L25-L31 HydrophobicContact CB-CD1 3.76Å; L25-L31 HydrophobicContact CB-CG 4.07Å; L25-L31 HydrophobicContact CD1-CD1 3.85Å; L25-L31 HydrophobicContact CD1-CG 4.49Å; L25-L31 HydrophobicContact CG-CD1 4.45Å
26	R	38.2	Very low	37.5	Very low	165 Å²	165	97.4 Å²	97.4	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-45.7	170.9	-171.5	179.5	-174.3	-176.2	2.7	111.8	L22 R28 D29	L22-R26 VanDerWaalsContact O-CB 3.23Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 PolarHBondContact O-N 2.9Å; R26-R28 PolarHBondContact O-N 2.77Å; R26-R28 VanDerWaalsContact O-N 3.1Å; R26-D29 PolarHBondContact O-N 3.14Å; R26-D29 VanDerWaalsContact O-N 3.08Å
27	S	40.5	Very low	37	Very low	92 Å²	92	101 Å²	101	64%	0.643	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.1	174.4	53.9	0	0	0	0	114.7	N23 R24	N23-S27 WeakPolarHBondContact O-CB 3.42Å; N23-S27 PolarHBondContact O-N 3.32Å; N23-S27 PolarHBondContact O-OG 3.04Å; R24-S27 VanDerWaalsContact CA-OG 3.32Å; R24-S27 WeakPolarHBondContact CA-OG 3.41Å; R24-S27 PolarHBondContact O-OG 3.2Å
28	R	39.9	Very low	36.5	Very low	159 Å²	159	99.1 Å²	99.1	60%	0.6	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	5	172.4	-70.3	172.4	176.9	164.8	-3	113.5	R24 L25 R26 I30	R24-R28 VanDerWaalsContact O-CD 3.24Å; R24-R28 WeakPolarHBondContact O-CD 3.32Å; R24-R28 WeakPolarHBondContact O-CG 3.34Å; L25-R28 PolarHBondContact O-N 3.49Å; R26-R28 PolarHBondContact O-N 2.77Å; R26-R28 VanDerWaalsContact O-N 3.1Å; R28-I30 VanDerWaalsContact C-N 3.27Å; R28-I30 HydrophobicContact CB-CD1 3.62Å; R28-I30 HydrophobicContact CB-CG1 3.8Å; R28-I30 HydrophobicContact CG-CD1 4.48Å; R28-I30 PolarHBondContact O-N 3.45Å
29	D	38.9	Very low	36.1	Very low	105 Å²	105	101 Å²	101	56%	0.561	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	31.3	-173.3	-61.8	-31.7	0	0	0	114.1	L25 R26 R677	L25-D29 PolarHBondContact O-N 3.3Å; R26-D29 PolarHBondContact O-N 3.14Å; R26-D29 VanDerWaalsContact O-N 3.08Å; D29-R677 IonicContact OD2-CZ 3.67Å; D29-R677 IonicContact OD2-NH1 3.36Å; D29-R677 PolarHBondContact OD2-NH1 2.79Å; D29-R677 IonicContact OD2-NH2 2.71Å; D29-R677 PolarHBondContact OD2-NH2 2.81Å
30	I	40.9	Very low	35.5	Very low	106 Å²	106	104.5 Å²	104.5	54%	0.544	53%	0.527	S	S	.	.			trans	-93.1	-27.1	-173.7	-64.9	173.9	0	0	0	113.7	L25 R28	L25-I30 HydrophobicContact CD2-CB 4.25Å; L25-I30 HydrophobicContact CD2-CD1 4.05Å; L25-I30 HydrophobicContact CD2-CG2 4.08Å; L25-I30 PolarHBondContact O-N 3.23Å; R28-I30 VanDerWaalsContact C-N 3.27Å; R28-I30 HydrophobicContact CB-CD1 3.62Å; R28-I30 HydrophobicContact CB-CG1 3.8Å; R28-I30 HydrophobicContact CG-CD1 4.48Å; R28-I30 PolarHBondContact O-N 3.45Å
31	L	31.8	Very low	35	Very low	71 Å²	71	108 Å²	108	37%	0.372	54%	0.541	S	S	.	.			trans	-115.7	127.9	-179.7	-68.1	174.2	0	0	0	110.5	L22 L25	L22-L31 HydrophobicContact CD2-CD1 3.62Å; L25-L31 HydrophobicContact CB-CD1 3.76Å; L25-L31 HydrophobicContact CB-CG 4.07Å; L25-L31 HydrophobicContact CD1-CD1 3.85Å; L25-L31 HydrophobicContact CD1-CG 4.49Å; L25-L31 HydrophobicContact CG-CD1 4.45Å
32	T	34.3	Very low	34.8	Very low	134 Å²	134	109.9 Å²	109.9	82%	0.822	55%	0.548	S	S	*	.	S	Bend	trans	-99	-42.2	171.3	52.7	0	0	0	0	111.9
33	D	27.9	Very low	34.7	Very low	130 Å²	130	111.2 Å²	111.2	70%	0.695	55%	0.551	S	S	*	*			trans	-133.8	138.8	-168.9	-56	-84.1	0	0	0	111.2
34	V	29.9	Very low	34.5	Very low	87 Å²	87	114.9 Å²	114.9	53%	0.527	56%	0.557	S	S	.	*			trans	-137.3	119.2	173.4	179.2	0	0	0	0	107.6	L22 I36	L22-V34 HydrophobicContact CD2-CG2 4.3Å; V34-I36 HydrophobicContact CG1-CD1 4.33Å; V34-I36 HydrophobicContact CG1-CG1 4.28Å
35	V	28	Very low	34.3	Very low	125 Å²	125	110.6 Å²	110.6	76%	0.758	55%	0.549	S	S	*	.			trans	-107	130.3	177.9	-178.3	0	0	0	0	108.6	I37	V35-I37 HydrophobicContact CG1-CG1 4.43Å
36	I	31	Very low	34.5	Very low	48 Å²	48	110.7 Å²	110.7	25%	0.246	55%	0.548	C	S	.	.			trans	-127	146.5	174.9	-63	167.8	0	0	0	107	V34 V38 N73	V34-I36 HydrophobicContact CG1-CD1 4.33Å; V34-I36 HydrophobicContact CG1-CG1 4.28Å; I36-V38 HydrophobicContact CG2-CG2 4.35Å; I36-N73 HydrophobicContact CB-CB 3.93Å; I36-N73 HydrophobicContact CD1-CB 4.29Å; I36-N73 WeakPolarHBondContact CD1-O 3.22Å; I36-N73 PolarHBondContact N-ND2 3.36Å; I36-N73 PolarHBondContact O-ND2 2.9Å
37	I	27.5	Very low	34.6	Very low	137 Å²	137	108.4 Å²	108.4	70%	0.703	54%	0.542	S	S	*	.			trans	-124	113.9	-166.2	-58.3	177.4	0	0	0	108.7	V35	V35-I37 HydrophobicContact CG1-CG1 4.43Å
38	V	30.8	Very low	34.6	Very low	41 Å²	41	107.4 Å²	107.4	25%	0.248	53%	0.532	C	S	.	.			trans	-120.2	141.6	-169.5	-158	0	0	0	0	110.4	I36 F43 N73 L74 P76	I36-V38 HydrophobicContact CG2-CG2 4.35Å; V38-F43 HydrophobicContact CB-CD2 4Å; V38-F43 HydrophobicContact CG1-CB 4.35Å; V38-F43 HydrophobicContact CG1-CD2 4.13Å; V38-F43 HydrophobicContact CG2-CD2 4.35Å; V38-N73 WeakPolarHBondContact CG2-OD1 3.23Å; V38-L74 WeakPolarHBondContact CG2-O 3.34Å; V38-P76 HydrophobicContact CG1-CB 4.11Å
39	N	30.4	Very low	34.7	Very low	107 Å²	107	100.7 Å²	100.7	57%	0.572	51%	0.509	S	S	*	.			trans	-72.1	137.7	-175	-158	-3.9	0	0	0	112.3	E41 F43	N39-E41 VanDerWaalsContact C-N 3.3Å; N39-E41 PolarHBondContact O-N 3.1Å; N39-E41 VanDerWaalsContact O-N 3.13Å; N39-F43 VanDerWaalsContact O-CB 3.23Å; N39-F43 WeakPolarHBondContact O-CB 3.47Å; N39-F43 PolarHBondContact O-N 3.43Å
40	R	30.9	Very low	35	Very low	192 Å²	192	99.2 Å²	99.2	73%	0.725	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.3	-156.8	176.4	173.3	161.7	177.8	-7.3	115.2
41	E	36.2	Very low	35.1	Very low	158 Å²	158	99.7 Å²	99.7	74%	0.738	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-49.7	-172.9	-68.2	172.7	174.1	0	0	111.6	N39 F43 R44	N39-E41 VanDerWaalsContact C-N 3.3Å; N39-E41 PolarHBondContact O-N 3.1Å; N39-E41 VanDerWaalsContact O-N 3.13Å; E41-F43 PolarHBondContact O-N 2.81Å; E41-R44 WeakPolarHBondContact O-CB 3.48Å; E41-R44 PolarHBondContact O-N 3.12Å
42	Q	34.6	Very low	35.6	Very low	111 Å²	111	98 Å²	98	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-58	-35.5	169.5	-70.3	176	-17.4	0	0	111.8	R44 A45 H46	Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 3.12Å; Q42-A45 PolarHBondContact O-N 3.23Å; Q42-H46 WeakPolarHBondContact O-CB 3.28Å; Q42-H46 PolarHBondContact O-N 3.01Å; Q42-H46 PolarHBondContact O-ND1 3.3Å
43	F	37	Very low	36	Very low	88 Å²	88	92.3 Å²	92.3	39%	0.386	46%	0.464	S	S	.	.	H	α-helix	trans	-63.9	-25.8	174.1	-173.1	-100.4	0	0	0	113.2	V38 N39 E41 K47	V38-F43 HydrophobicContact CB-CD2 4Å; V38-F43 HydrophobicContact CG1-CB 4.35Å; V38-F43 HydrophobicContact CG1-CD2 4.13Å; V38-F43 HydrophobicContact CG2-CD2 4.35Å; N39-F43 VanDerWaalsContact O-CB 3.23Å; N39-F43 WeakPolarHBondContact O-CB 3.47Å; N39-F43 PolarHBondContact O-N 3.43Å; E41-F43 PolarHBondContact O-N 2.81Å; F43-K47 HydrophobicContact CE1-CD 4.16Å; F43-K47 WeakPolarHBondContact O-CA 3.26Å; F43-K47 WeakPolarHBondContact O-CB 3.33Å; F43-K47 PolarHBondContact O-N 2.85Å
44	R	35.7	Very low	36.8	Very low	176 Å²	176	88.4 Å²	88.4	66%	0.664	45%	0.447	S	S	*	.	H	α-helix	trans	-69.4	-52.1	174.8	-91.3	-180	165.5	169.6	-7.6	111.9	E41 Q42 K47 T48	E41-R44 WeakPolarHBondContact O-CB 3.48Å; E41-R44 PolarHBondContact O-N 3.12Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 3.12Å; R44-K47 PolarHBondContact O-N 3.22Å; R44-T48 PolarHBondContact O-N 3.07Å; R44-T48 PolarHBondContact O-OG1 3.47Å; R44-T48 VanDerWaalsContact O-OG1 3.13Å
45	A	38.3	Very low	37.3	Very low	35 Å²	35	86.3 Å²	86.3	29%	0.289	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-47	179.2	0	0	0	0	0	111.3	Q42 K47 T48 V49	Q42-A45 PolarHBondContact O-N 3.23Å; A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.9Å; A45-T48 PolarHBondContact O-N 3.16Å; A45-T48 PolarHBondContact O-OG1 2.86Å; A45-V49 WeakPolarHBondContact O-CG2 3.15Å; A45-V49 PolarHBondContact O-N 2.95Å; A45-V49 VanDerWaalsContact O-N 3.08Å
46	H	41.4	Very low	37.8	Very low	57 Å²	57	81.6 Å²	81.6	26%	0.264	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-37.4	173.6	-77.9	92.1	0	0	0	112	Q42 V49 L50	Q42-H46 WeakPolarHBondContact O-CB 3.28Å; Q42-H46 PolarHBondContact O-N 3.01Å; Q42-H46 PolarHBondContact O-ND1 3.3Å; H46-V49 PolarHBondContact O-N 3.22Å; H46-L50 HydrophobicContact CB-CD1 4.4Å; H46-L50 WeakPolarHBondContact O-CA 3.46Å; H46-L50 WeakPolarHBondContact O-CB 3.46Å; H46-L50 WeakPolarHBondContact O-CD1 3.42Å; H46-L50 WeakPolarHBondContact O-CG 3.31Å; H46-L50 PolarHBondContact O-N 3.26Å
47	K	39.9	Very low	38.2	Very low	117 Å²	117	83 Å²	83	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.2	178	177.2	178.1	-180	0	112.2	F43 R44 A45 M51	F43-K47 HydrophobicContact CE1-CD 4.16Å; F43-K47 WeakPolarHBondContact O-CA 3.26Å; F43-K47 WeakPolarHBondContact O-CB 3.33Å; F43-K47 PolarHBondContact O-N 2.85Å; R44-K47 PolarHBondContact O-N 3.22Å; A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.9Å; K47-M51 HydrophobicContact CG-CG 4.13Å; K47-M51 WeakPolarHBondContact O-CB 3.43Å; K47-M51 WeakPolarHBondContact O-CG 3.31Å; K47-M51 PolarHBondContact O-N 2.87Å
48	T	41.7	Very low	38.6	Very low	71 Å²	71	82.8 Å²	82.8	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-65	-43.2	177.1	31.3	0	0	0	0	112	R44 A45 M51 A52 L112	R44-T48 PolarHBondContact O-N 3.07Å; R44-T48 PolarHBondContact O-OG1 3.47Å; R44-T48 VanDerWaalsContact O-OG1 3.13Å; A45-T48 PolarHBondContact O-N 3.16Å; A45-T48 PolarHBondContact O-OG1 2.86Å; T48-M51 PolarHBondContact O-N 3.49Å; T48-A52 PolarHBondContact O-N 3.31Å; T48-L112 WeakPolarHBondContact OG1-CD1 3.09Å
49	V	42.2	Very low	38.9	Very low	18 Å²	18	84 Å²	84	11%	0.109	42%	0.419	C	S	.	.	H	α-helix	trans	-67.7	-46.9	176.9	177.8	0	0	0	0	110.9	A45 H46 M51 A52 C53 F83 L112	A45-V49 WeakPolarHBondContact O-CG2 3.15Å; A45-V49 PolarHBondContact O-N 2.95Å; A45-V49 VanDerWaalsContact O-N 3.08Å; H46-V49 PolarHBondContact O-N 3.22Å; V49-M51 VanDerWaalsContact C-N 3.26Å; V49-M51 PolarHBondContact O-N 2.85Å; V49-A52 PolarHBondContact O-N 2.74Å; V49-C53 WeakPolarHBondContact O-CB 3.41Å; V49-C53 PolarHBondContact O-N 2.95Å; V49-C53 PolarHBondContact O-SG 3.36Å; V49-C53 VanDerWaalsContact O-SG 3.34Å; V49-F83 HydrophobicContact CG1-CE1 4.22Å; V49-F83 HydrophobicContact CG1-CE2 3.91Å; V49-F83 HydrophobicContact CG1-CZ 3.43Å; V49-F83 VanDerWaalsContact CG1-CZ 3.43Å; V49-L112 HydrophobicContact CG2-CD1 3.97Å
50	L	44.9	Very low	39	Very low	74 Å²	74	81.1 Å²	81.1	39%	0.387	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-27.7	175	-73.6	167.9	0	0	0	112.8	H46 S54 L74	H46-L50 HydrophobicContact CB-CD1 4.4Å; H46-L50 WeakPolarHBondContact O-CA 3.46Å; H46-L50 WeakPolarHBondContact O-CB 3.46Å; H46-L50 WeakPolarHBondContact O-CD1 3.42Å; H46-L50 WeakPolarHBondContact O-CG 3.31Å; H46-L50 PolarHBondContact O-N 3.26Å; L50-S54 WeakPolarHBondContact O-CA 3.35Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.79Å; L50-L74 HydrophobicContact CD1-CD1 4.37Å
51	M	42.5	Very low	39.2	Very low	117 Å²	117	76.1 Å²	76.1	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-76.1	-40.8	173	-74.5	-67.2	-58.4	0	0	111.8	K47 T48 V49 S54 G55	K47-M51 HydrophobicContact CG-CG 4.13Å; K47-M51 WeakPolarHBondContact O-CB 3.43Å; K47-M51 WeakPolarHBondContact O-CG 3.31Å; K47-M51 PolarHBondContact O-N 2.87Å; T48-M51 PolarHBondContact O-N 3.49Å; V49-M51 VanDerWaalsContact C-N 3.26Å; V49-M51 PolarHBondContact O-N 2.85Å; M51-S54 WeakPolarHBondContact CA-OG 3.3Å; M51-S54 WeakPolarHBondContact O-CB 3.45Å; M51-S54 PolarHBondContact O-N 3.12Å; M51-S54 VanDerWaalsContact O-N 3.12Å; M51-S54 PolarHBondContact O-OG 2.78Å; M51-G55 PolarHBondContact O-N 3.46Å
52	A	42.2	Very low	39.2	Very low	36 Å²	36	71 Å²	71	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-48.6	172.4	0	0	0	0	0	110.9	T48 V49 S54 G55	T48-A52 PolarHBondContact O-N 3.31Å; V49-A52 PolarHBondContact O-N 2.74Å; A52-S54 VanDerWaalsContact C-N 3.28Å; A52-S54 PolarHBondContact O-N 3.12Å; A52-G55 PolarHBondContact O-N 2.81Å
53	C	43.9	Very low	39.1	Very low	13 Å²	13	72.8 Å²	72.8	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-34.9	169.5	-66.3	0	0	0	0	112	V49 G55 L56 F57	V49-C53 WeakPolarHBondContact O-CB 3.41Å; V49-C53 PolarHBondContact O-N 2.95Å; V49-C53 PolarHBondContact O-SG 3.36Å; V49-C53 VanDerWaalsContact O-SG 3.34Å; C53-G55 VanDerWaalsContact C-N 3.28Å; C53-G55 PolarHBondContact O-N 3.3Å; C53-L56 CarbonylContact O-C 3.52Å; C53-L56 WeakPolarHBondContact O-CA 3.49Å; C53-L56 WeakPolarHBondContact O-CB 3.27Å; C53-L56 PolarHBondContact O-N 2.88Å; C53-F57 HydrophobicContact CB-CD2 4.2Å; C53-F57 HydrophobicContact CB-CE2 4.38Å; C53-F57 WeakPolarHBondContact O-CB 3.44Å; C53-F57 WeakPolarHBondContact O-CD2 3.22Å; C53-F57 PolarHBondContact O-N 3.21Å
54	S	44.2	Very low	39	Very low	49 Å²	49	76.3 Å²	76.3	34%	0.343	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-35	-178.9	76.8	0	0	0	0	112.3	L50 M51 A52 L56 Y58	L50-S54 WeakPolarHBondContact O-CA 3.35Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.79Å; M51-S54 WeakPolarHBondContact CA-OG 3.3Å; M51-S54 WeakPolarHBondContact O-CB 3.45Å; M51-S54 PolarHBondContact O-N 3.12Å; M51-S54 VanDerWaalsContact O-N 3.12Å; M51-S54 PolarHBondContact O-OG 2.78Å; A52-S54 VanDerWaalsContact C-N 3.28Å; A52-S54 PolarHBondContact O-N 3.12Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 3.17Å; S54-Y58 WeakPolarHBondContact O-CA 3.17Å; S54-Y58 WeakPolarHBondContact O-CB 3.35Å; S54-Y58 PolarHBondContact O-N 3.47Å
55	G	39.3	Very low	38.8	Very low	42 Å²	42	73.5 Å²	73.5	43%	0.433	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-35.3	174.3	0	0	0	0	0	112.7	M51 A52 C53 Y58 S59	M51-G55 PolarHBondContact O-N 3.46Å; A52-G55 PolarHBondContact O-N 2.81Å; C53-G55 VanDerWaalsContact C-N 3.28Å; C53-G55 PolarHBondContact O-N 3.3Å; G55-Y58 PolarHBondContact O-N 2.79Å; G55-S59 PolarHBondContact O-N 3.42Å; G55-S59 PolarHBondContact O-OG 2.87Å
56	L	39.6	Very low	38.4	Very low	27 Å²	27	80.6 Å²	80.6	14%	0.141	42%	0.419	C	S	.	.	H	α-helix	trans	-77.4	-42	178.5	-56.7	178.8	0	0	0	112	C53 S54 Y58 S59 I60 N101 V105	C53-L56 CarbonylContact O-C 3.52Å; C53-L56 WeakPolarHBondContact O-CA 3.49Å; C53-L56 WeakPolarHBondContact O-CB 3.27Å; C53-L56 PolarHBondContact O-N 2.88Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 3.17Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.12Å; L56-S59 PolarHBondContact O-N 3.41Å; L56-S59 PolarHBondContact O-OG 3.18Å; L56-S59 VanDerWaalsContact O-OG 3.12Å; L56-I60 WeakPolarHBondContact O-CB 3.22Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 2.82Å; L56-N101 HydrophobicContact CD1-CB 3.84Å; L56-N101 HydrophobicContact CD2-CB 3.6Å; L56-N101 VanDerWaalsContact CD2-CG 3.41Å; L56-N101 HydrophobicContact CG-CB 4.36Å; L56-V105 HydrophobicContact CD1-CG2 3.95Å
57	F	39.8	Very low	37.7	Very low	77 Å²	77	81.8 Å²	81.8	34%	0.338	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-40.7	166.8	-88.3	-107.9	0	0	0	110.3	C53 F61 M90	C53-F57 HydrophobicContact CB-CD2 4.2Å; C53-F57 HydrophobicContact CB-CE2 4.38Å; C53-F57 WeakPolarHBondContact O-CB 3.44Å; C53-F57 WeakPolarHBondContact O-CD2 3.22Å; C53-F57 PolarHBondContact O-N 3.21Å; F57-F61 HydrophobicContact CB-CD2 4.33Å; F57-F61 AromaticContact CD1-CD2 3.84Å; F57-F61 HydrophobicContact CD1-CD2 3.84Å; F57-F61 AromaticContact CD1-CE2 3.54Å; F57-F61 HydrophobicContact CD1-CE2 3.54Å; F57-F61 AromaticContact CE1-CE2 3.9Å; F57-F61 HydrophobicContact CE1-CE2 3.9Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CG-CE2 4.36Å; F57-F61 WeakPolarHBondContact O-CA 3.4Å; F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 WeakPolarHBondContact O-CD2 3.16Å; F57-F61 PolarHBondContact O-N 3.14Å; F57-M90 HydrophobicContact CD2-CE 4.3Å; F57-M90 HydrophobicContact CE2-CE 3.64Å; F57-M90 HydrophobicContact CE2-SD 3.64Å; F57-M90 HydrophobicContact CZ-CE 4.04Å; F57-M90 HydrophobicContact CZ-SD 3.75Å
58	Y	35.7	Very low	37.4	Very low	133 Å²	133	82.3 Å²	82.3	52%	0.522	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-42.5	179.1	-151.1	-106.3	0	0	0	111.1	S54 G55 L56 T62	S54-Y58 WeakPolarHBondContact O-CA 3.17Å; S54-Y58 WeakPolarHBondContact O-CB 3.35Å; S54-Y58 PolarHBondContact O-N 3.47Å; G55-Y58 PolarHBondContact O-N 2.79Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.12Å; Y58-T62 HydrophobicContact CD1-CG2 3.6Å; Y58-T62 HydrophobicContact CD2-CG2 4.26Å; Y58-T62 HydrophobicContact CE1-CG2 3.52Å; Y58-T62 HydrophobicContact CE2-CG2 4.18Å; Y58-T62 HydrophobicContact CG-CG2 3.97Å; Y58-T62 WeakPolarHBondContact O-CA 3.44Å; Y58-T62 WeakPolarHBondContact O-CB 3.34Å; Y58-T62 WeakPolarHBondContact O-CG2 3.29Å; Y58-T62 PolarHBondContact O-N 3.05Å; Y58-T62 PolarHBondContact O-OG1 2.87Å
59	S	35.9	Very low	37	Very low	66 Å²	66	85 Å²	85	46%	0.462	45%	0.452	S	S	.	.	H	α-helix	trans	-68.5	-44.4	176.1	62.5	0	0	0	0	112.8	G55 L56	G55-S59 PolarHBondContact O-N 3.42Å; G55-S59 PolarHBondContact O-OG 2.87Å; L56-S59 PolarHBondContact O-N 3.41Å; L56-S59 PolarHBondContact O-OG 3.18Å; L56-S59 VanDerWaalsContact O-OG 3.12Å
60	I	34.3	Very low	36.5	Very low	46 Å²	46	91.7 Å²	91.7	24%	0.236	49%	0.487	C	S	.	.	H	α-helix	trans	-68.5	-38.2	-179.7	-67.2	169.5	0	0	0	111.7	L56 L95 L97	L56-I60 WeakPolarHBondContact O-CB 3.22Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 2.82Å; I60-L95 HydrophobicContact CG2-CD2 4.16Å; I60-L97 HydrophobicContact CD1-CD2 3.8Å
61	F	34.8	Very low	35.7	Very low	87 Å²	87	94.1 Å²	94.1	38%	0.382	51%	0.505	S	S	.	.	H	α-helix	trans	-91.3	-17.7	179.2	-72.4	-89.2	0	0	0	114.7	F57 D63 Q64 L65	F57-F61 HydrophobicContact CB-CD2 4.33Å; F57-F61 AromaticContact CD1-CD2 3.84Å; F57-F61 HydrophobicContact CD1-CD2 3.84Å; F57-F61 AromaticContact CD1-CE2 3.54Å; F57-F61 HydrophobicContact CD1-CE2 3.54Å; F57-F61 AromaticContact CE1-CE2 3.9Å; F57-F61 HydrophobicContact CE1-CE2 3.9Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CG-CE2 4.36Å; F57-F61 WeakPolarHBondContact O-CA 3.4Å; F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 WeakPolarHBondContact O-CD2 3.16Å; F57-F61 PolarHBondContact O-N 3.14Å; F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.36Å; F61-Q64 CarbonylContact O-C 3.47Å; F61-Q64 PolarHBondContact O-N 3.33Å; F61-L65 HydrophobicContact CD1-CD1 4Å; F61-L65 CarbonylContact O-C 3.57Å; F61-L65 WeakPolarHBondContact O-CA 3.5Å; F61-L65 WeakPolarHBondContact O-CB 3.42Å; F61-L65 PolarHBondContact O-N 3.08Å
62	T	34.6	Very low	35.2	Very low	51 Å²	51	94.6 Å²	94.6	31%	0.313	51%	0.509	S	S	.	.	H	α-helix	trans	-71.3	-26.1	178	43.4	0	0	0	0	114	Y58 Q64	Y58-T62 HydrophobicContact CD1-CG2 3.6Å; Y58-T62 HydrophobicContact CD2-CG2 4.26Å; Y58-T62 HydrophobicContact CE1-CG2 3.52Å; Y58-T62 HydrophobicContact CE2-CG2 4.18Å; Y58-T62 HydrophobicContact CG-CG2 3.97Å; Y58-T62 WeakPolarHBondContact O-CA 3.44Å; Y58-T62 WeakPolarHBondContact O-CB 3.34Å; Y58-T62 WeakPolarHBondContact O-CG2 3.29Å; Y58-T62 PolarHBondContact O-N 3.05Å; Y58-T62 PolarHBondContact O-OG1 2.87Å; T62-Q64 PolarHBondContact O-N 3.2Å
63	D	33.1	Very low	34.5	Very low	149 Å²	149	95.1 Å²	95.1	80%	0.797	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.2	173.8	-121.9	14.8	0	0	0	112.7	F61	F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.36Å
64	Q	35.2	Very low	33.7	Very low	162 Å²	162	98 Å²	98	76%	0.757	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-22.6	179.7	-68.1	-63.6	-29.7	0	0	114.5	F61 T62	F61-Q64 CarbonylContact O-C 3.47Å; F61-Q64 PolarHBondContact O-N 3.33Å; T62-Q64 PolarHBondContact O-N 3.2Å
65	L	31.5	Very low	32.8	Very low	116 Å²	116	101 Å²	101	61%	0.607	53%	0.533	S	S	*	.			trans	-140.9	91.8	-175.6	-68.3	-179.9	0	0	0	110.8	F61 C67	F61-L65 HydrophobicContact CD1-CD1 4Å; F61-L65 CarbonylContact O-C 3.57Å; F61-L65 WeakPolarHBondContact O-CA 3.5Å; F61-L65 WeakPolarHBondContact O-CB 3.42Å; F61-L65 PolarHBondContact O-N 3.08Å; L65-C67 PolarHBondContact O-N 3.38Å
66	K	29.8	Very low	32.7	Very low	185 Å²	185	101.6 Å²	101.6	80%	0.804	53%	0.529	S	S	*	.			trans	-65.7	125.3	168	-92.8	170.4	176	156.7	0	111.3
67	C	27.4	Very low	32.3	Very low	81 Å²	81	109 Å²	109	55%	0.547	56%	0.562	S	S	.	*	S	Bend	trans	87.7	106.3	163	-55.8	0	0	0	0	119	L65	L65-C67 PolarHBondContact O-N 3.38Å
68	N	33.5	Very low	32.1	Very low	128 Å²	128	108.4 Å²	108.4	68%	0.684	56%	0.562	S	S	*	*				71.6	94.9	129.6	-54.3	-0.9	0	0	0	118.4
69	L	33.3	Very low	32.3	Very low	128 Å²	128	106.9 Å²	106.9	67%	0.67	56%	0.563	S	S	*	*			trans	-121	107.3	158.2	-89.4	156.5	0	0	0	108.8
70	N	30.2	Very low	32.5	Very low	159 Å²	159	107.2 Å²	107.2	85%	0.85	56%	0.564	S	S	*	*			trans	-104.4	135.5	165.4	-85.9	-10.2	0	0	0	108.8
71	V	28.9	Very low	32.7	Very low	125 Å²	125	111 Å²	111	76%	0.758	58%	0.58	S	S	*	*			trans	62.9	83.3	179.5	-166.2	0	0	0	0	114.1	N73	V71-N73 HydrophobicContact CG1-CB 4.34Å
72	I	31.5	Very low	33	Very low	127 Å²	127	108.4 Å²	108.4	65%	0.651	58%	0.579	S	S	*	*			trans	-77.6	146.5	145.9	-61.7	171.8	0	0	0	107	L74	I72-L74 HydrophobicContact CG2-CG 4.44Å
73	N	27.1	Very low	33.5	Very low	46 Å²	46	107.1 Å²	107.1	25%	0.246	57%	0.569	C	S	.	*			trans	-141.2	136	-172.6	-153.4	-4.9	0	0	0	107.8	I36 V38 V71	I36-N73 HydrophobicContact CB-CB 3.93Å; I36-N73 HydrophobicContact CD1-CB 4.29Å; I36-N73 WeakPolarHBondContact CD1-O 3.22Å; I36-N73 PolarHBondContact N-ND2 3.36Å; I36-N73 PolarHBondContact O-ND2 2.9Å; V38-N73 WeakPolarHBondContact CG2-OD1 3.23Å; V71-N73 HydrophobicContact CG1-CB 4.34Å
74	L	27.6	Very low	34.1	Very low	75 Å²	75	101.9 Å²	101.9	39%	0.393	54%	0.543	S	S	.	.			trans	-136.2	130.2	-162.1	-72.5	166.4	0	0	0	109.9	V38 L50 I72 I78	V38-L74 WeakPolarHBondContact CG2-O 3.34Å; L50-L74 HydrophobicContact CD1-CD1 4.37Å; I72-L74 HydrophobicContact CG2-CG 4.44Å; L74-I78 HydrophobicContact CB-CD1 4.05Å; L74-I78 HydrophobicContact CD1-CD1 4.01Å; L74-I78 HydrophobicContact CD2-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 4.39Å
75	D	25.9	Very low	34.6	Very low	112 Å²	112	97.6 Å²	97.6	60%	0.599	53%	0.525	S	S	*	.			trans	-65.7	148.6	-176.3	-91.7	-47.6	0	0	0	113.1	E77	D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 2.93Å
76	P	36.1	Very low	35.2	Very low	54 Å²	54	95.7 Å²	95.7	35%	0.351	52%	0.515	S	S	.	.	S	Bend	trans	-85.1	51.9	-158.8	35.6	-39.1	0	0	0	114.9	V38	V38-P76 HydrophobicContact CG1-CB 4.11Å
77	E	32.3	Very low	36.1	Very low	181 Å²	181	88.8 Å²	88.8	85%	0.846	49%	0.487	S	S	*	.			trans	-145.3	35.3	174.5	-131.4	163.8	-117.2	0	0	113.3	D75 N79	D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 2.93Å; E77-N79 PolarHBondContact O-N 3.21Å; E77-N79 VanDerWaalsContact O-N 3.13Å
78	I	36.2	Very low	36.9	Very low	65 Å²	65	89.4 Å²	89.4	33%	0.333	49%	0.485	S	S	.	.			trans	-76	98.2	172.4	-59.9	178.9	0	0	0	109.5	L74	L74-I78 HydrophobicContact CB-CD1 4.05Å; L74-I78 HydrophobicContact CD1-CD1 4.01Å; L74-I78 HydrophobicContact CD2-CD1 4.42Å; L74-I78 HydrophobicContact CG-CD1 4.39Å
79	N	38.7	Very low	37.3	Very low	101 Å²	101	89.6 Å²	89.6	54%	0.54	48%	0.48	S	S	.	.			trans	-56.1	150.8	162.3	-85.9	-2.9	0	0	0	110.7	E77 E81 G82	E77-N79 PolarHBondContact O-N 3.21Å; E77-N79 VanDerWaalsContact O-N 3.13Å; N79-E81 PolarHBondContact O-N 3.43Å; N79-E81 VanDerWaalsContact O-N 3.1Å; N79-G82 PolarHBondContact O-N 2.94Å
80	P	39.9	Very low	37.8	Very low	74 Å²	74	84.2 Å²	84.2	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-57.1	-30.5	-179.1	22.6	-33.7	0	0	0	113.2	G82 F83 C84	P80-G82 VanDerWaalsContact C-N 3.27Å; P80-G82 PolarHBondContact O-N 3.01Å; P80-F83 WeakPolarHBondContact O-CB 3.3Å; P80-F83 PolarHBondContact O-N 3.04Å; P80-C84 PolarHBondContact O-N 2.87Å; P80-C84 VanDerWaalsContact O-N 3.08Å; P80-C84 PolarHBondContact O-SG 3.38Å
81	E	40.2	Very low	38.3	Very low	124 Å²	124	81.3 Å²	81.3	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-57.5	-36.5	172.9	-61.6	171.1	125.5	0	0	112.7	N79 F83 C84 I85	N79-E81 PolarHBondContact O-N 3.43Å; N79-E81 VanDerWaalsContact O-N 3.1Å; E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 3.13Å; E81-C84 WeakPolarHBondContact O-CB 3.36Å; E81-C84 PolarHBondContact O-N 2.79Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.2Å; E81-I85 PolarHBondContact O-N 3.4Å
82	G	39.5	Very low	38.7	Very low	34 Å²	34	79.9 Å²	79.9	35%	0.351	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-26.7	175.9	0	0	0	0	0	113.3	N79 P80 L86	N79-G82 PolarHBondContact O-N 2.94Å; P80-G82 VanDerWaalsContact C-N 3.27Å; P80-G82 PolarHBondContact O-N 3.01Å; G82-L86 PolarHBondContact O-N 2.88Å
83	F	46.5	Very low	38.9	Very low	23 Å²	23	76.6 Å²	76.6	10%	0.101	41%	0.409	C	S	.	.	H	α-helix	trans	-79.2	-37.5	171.5	-172.8	-101.4	0	0	0	111.8	V49 P80 E81 I85 L86 L87 V117	V49-F83 HydrophobicContact CG1-CE1 4.22Å; V49-F83 HydrophobicContact CG1-CE2 3.91Å; V49-F83 HydrophobicContact CG1-CZ 3.43Å; V49-F83 VanDerWaalsContact CG1-CZ 3.43Å; P80-F83 WeakPolarHBondContact O-CB 3.3Å; P80-F83 PolarHBondContact O-N 3.04Å; E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 3.13Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.09Å; F83-L86 HydrophobicContact CD2-CD2 4.35Å; F83-L86 HydrophobicContact CE2-CD2 4.37Å; F83-L86 WeakPolarHBondContact O-CB 3.3Å; F83-L86 PolarHBondContact O-N 3.43Å; F83-L87 HydrophobicContact CD1-CD1 4.13Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.21Å; F83-L87 HydrophobicContact CZ-CD1 4.43Å; F83-L87 PolarHBondContact O-N 3.17Å; F83-L87 VanDerWaalsContact O-N 3.12Å; F83-V117 HydrophobicContact CD1-CG2 4.27Å; F83-V117 HydrophobicContact CE1-CG1 4.03Å
84	C	44.3	Very low	39.5	Very low	39 Å²	39	85 Å²	85	26%	0.264	44%	0.437	S	S	.	.	H	α-helix	trans	-59.9	-42.9	170.7	-62.5	0	0	0	0	111.5	P80 E81 L86 L87 D88	P80-C84 PolarHBondContact O-N 2.87Å; P80-C84 VanDerWaalsContact O-N 3.08Å; P80-C84 PolarHBondContact O-SG 3.38Å; E81-C84 WeakPolarHBondContact O-CB 3.36Å; E81-C84 PolarHBondContact O-N 2.79Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 2.87Å; C84-L87 PolarHBondContact O-N 2.94Å; C84-D88 WeakPolarHBondContact O-CB 3.48Å; C84-D88 PolarHBondContact O-N 2.99Å
85	I	45.4	Very low	40.2	Very low	72 Å²	72	84.2 Å²	84.2	37%	0.369	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-30.9	176	-68.8	165.9	0	0	0	111.8	C8 E81 F83 F89	C8-I85 WeakPolarHBondContact SG-CD1 3.42Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.2Å; E81-I85 PolarHBondContact O-N 3.4Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.09Å; I85-F89 WeakPolarHBondContact O-CB 3.49Å; I85-F89 PolarHBondContact O-N 3.19Å
86	L	45.2	Very low	40.8	Very low	77 Å²	77	86.3 Å²	86.3	40%	0.403	44%	0.444	S	S	.	.	H	α-helix	trans	-66.5	-40.6	172.3	-170.6	73.2	0	0	0	111.9	G82 F83 C84 M90	G82-L86 PolarHBondContact O-N 2.88Å; F83-L86 HydrophobicContact CD2-CD2 4.35Å; F83-L86 HydrophobicContact CE2-CD2 4.37Å; F83-L86 WeakPolarHBondContact O-CB 3.3Å; F83-L86 PolarHBondContact O-N 3.43Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 2.87Å; L86-M90 WeakPolarHBondContact O-CG 3.34Å; L86-M90 PolarHBondContact O-N 3.01Å; L86-M90 VanDerWaalsContact O-N 3.12Å
87	L	49.1	Very low	41.3	Very low	40 Å²	40	85.5 Å²	85.5	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-68.8	-41.3	175.3	-69.5	171.3	0	0	0	111.8	F83 C84 F89 M90 Y91	F83-L87 HydrophobicContact CD1-CD1 4.13Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.21Å; F83-L87 HydrophobicContact CZ-CD1 4.43Å; F83-L87 PolarHBondContact O-N 3.17Å; F83-L87 VanDerWaalsContact O-N 3.12Å; C84-L87 PolarHBondContact O-N 2.94Å; L87-F89 VanDerWaalsContact C-N 3.33Å; L87-F89 PolarHBondContact O-N 3.16Å; L87-M90 WeakPolarHBondContact O-CB 3.48Å; L87-M90 PolarHBondContact O-N 3.24Å; L87-M90 VanDerWaalsContact O-N 3.12Å; L87-Y91 PolarHBondContact O-N 3.3Å
88	D	44.6	Very low	42.2	Very low	93 Å²	93	86.3 Å²	86.3	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-33.8	176.7	-165.2	40	0	0	0	112	C84 Y91 T92	C84-D88 WeakPolarHBondContact O-CB 3.48Å; C84-D88 PolarHBondContact O-N 2.99Å; D88-Y91 PolarHBondContact O-N 3.49Å; D88-T92 WeakPolarHBondContact O-CB 3.34Å; D88-T92 WeakPolarHBondContact O-CG2 3.13Å; D88-T92 PolarHBondContact O-N 3.28Å; D88-T92 PolarHBondContact O-OG1 3.35Å
89	F	41	Very low	43	Very low	132 Å²	132	88.3 Å²	88.3	58%	0.579	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-38.6	168.6	179	-100.7	0	0	0	112.6	I85 L87 T92 S93	I85-F89 WeakPolarHBondContact O-CB 3.49Å; I85-F89 PolarHBondContact O-N 3.19Å; L87-F89 VanDerWaalsContact C-N 3.33Å; L87-F89 PolarHBondContact O-N 3.16Å; F89-T92 WeakPolarHBondContact CA-OG1 3.37Å; F89-T92 PolarHBondContact O-OG1 2.83Å; F89-S93 VanDerWaalsContact O-CB 3.22Å; F89-S93 WeakPolarHBondContact O-CB 3.06Å; F89-S93 PolarHBondContact O-N 3.27Å; F89-S93 VanDerWaalsContact O-N 3.07Å; F89-S93 PolarHBondContact O-OG 2.86Å
90	M	44.4	Very low	43.4	Very low	15 Å²	15	89.7 Å²	89.7	7%	0.074	45%	0.448	C	S	.	.	H	α-helix	trans	-67.4	-36	173.8	-69.8	177.4	70.1	0	0	112.3	F57 L86 L87 L95 L97	F57-M90 HydrophobicContact CD2-CE 4.3Å; F57-M90 HydrophobicContact CE2-CE 3.64Å; F57-M90 HydrophobicContact CE2-SD 3.64Å; F57-M90 HydrophobicContact CZ-CE 4.04Å; F57-M90 HydrophobicContact CZ-SD 3.75Å; L86-M90 WeakPolarHBondContact O-CG 3.34Å; L86-M90 PolarHBondContact O-N 3.01Å; L86-M90 VanDerWaalsContact O-N 3.12Å; L87-M90 WeakPolarHBondContact O-CB 3.48Å; L87-M90 PolarHBondContact O-N 3.24Å; L87-M90 VanDerWaalsContact O-N 3.12Å; M90-L95 HydrophobicContact CB-CD1 4.4Å; M90-L95 HydrophobicContact CE-CD1 4.44Å; M90-L95 HydrophobicContact CG-CD1 4.42Å; M90-L95 PolarHBondContact O-N 2.69Å; M90-L97 HydrophobicContact CE-CD1 4.34Å; M90-L97 HydrophobicContact CE-CD2 4.35Å
91	Y	40.3	Very low	44.1	Very low	99 Å²	99	88.2 Å²	88.2	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-69.1	-52.3	176.6	177.8	-114.2	0	0	0	112.3	L87 D88 S93 R94 F124 E131	L87-Y91 PolarHBondContact O-N 3.3Å; D88-Y91 PolarHBondContact O-N 3.49Å; Y91-S93 PolarHBondContact O-N 2.68Å; Y91-R94 WeakPolarHBondContact O-CA 3.5Å; Y91-R94 PolarHBondContact O-N 3.25Å; Y91-F124 AromaticContact CD2-CE2 3.81Å; Y91-F124 HydrophobicContact CD2-CE2 3.81Å; Y91-F124 HydrophobicContact CD2-CZ 4.31Å; Y91-F124 HydrophobicContact CE2-CE2 4.43Å; Y91-F124 HydrophobicContact CG-CE2 4.37Å; Y91-E131 PolarHBondContact OH-OE1 2.99Å
92	T	38	Very low	44.8	Very low	95 Å²	95	82.9 Å²	82.9	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-25.9	176.4	50.1	0	0	0	0	112.9	D88 F89 R94	D88-T92 WeakPolarHBondContact O-CB 3.34Å; D88-T92 WeakPolarHBondContact O-CG2 3.13Å; D88-T92 PolarHBondContact O-N 3.28Å; D88-T92 PolarHBondContact O-OG1 3.35Å; F89-T92 WeakPolarHBondContact CA-OG1 3.37Å; F89-T92 PolarHBondContact O-OG1 2.83Å; T92-R94 PolarHBondContact O-N 2.75Å
93	S	35.6	Very low	45.6	Very low	57 Å²	57	85.7 Å²	85.7	40%	0.399	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2.3	169.7	-60.7	0	0	0	0	114.7	F89 Y91 L95	F89-S93 VanDerWaalsContact O-CB 3.22Å; F89-S93 WeakPolarHBondContact O-CB 3.06Å; F89-S93 PolarHBondContact O-N 3.27Å; F89-S93 VanDerWaalsContact O-N 3.07Å; F89-S93 PolarHBondContact O-OG 2.86Å; Y91-S93 PolarHBondContact O-N 2.68Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 3.49Å
94	R	38.5	Very low	46	Very low	223 Å²	223	87.2 Å²	87.2	84%	0.842	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.2	-177.5	-66.2	-168.9	173.2	-156.5	-2.5	114.6	Y91 T92 N96	Y91-R94 WeakPolarHBondContact O-CA 3.5Å; Y91-R94 PolarHBondContact O-N 3.25Å; T92-R94 PolarHBondContact O-N 2.75Å; R94-N96 PolarHBondContact O-N 3.34Å
95	L	42.7	Very low	46.3	Very low	59 Å²	59	86 Å²	86	31%	0.309	42%	0.424	S	S	.	.			trans	-79.8	109.3	172.7	-62	178.9	0	0	0	110	I60 M90 S93 L97	I60-L95 HydrophobicContact CG2-CD2 4.16Å; M90-L95 HydrophobicContact CB-CD1 4.4Å; M90-L95 HydrophobicContact CE-CD1 4.44Å; M90-L95 HydrophobicContact CG-CD1 4.42Å; M90-L95 PolarHBondContact O-N 2.69Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 3.49Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.09Å
96	N	38.6	Very low	47	Very low	156 Å²	156	83.3 Å²	83.3	83%	0.834	41%	0.41	S	S	*	.			trans	-65.6	80.5	-180	-80.3	-13.6	0	0	0	112.8	R94 R98	R94-N96 PolarHBondContact O-N 3.34Å; N96-R98 PolarHBondContact O-N 3.4Å
97	L	45.6	Very low	47.3	Very low	37 Å²	37	82.4 Å²	82.4	19%	0.194	41%	0.413	C	S	.	.			trans	-70.3	107.9	168.2	-70.3	166.9	0	0	0	109.1	I60 M90 L95 I102	I60-L97 HydrophobicContact CD1-CD2 3.8Å; M90-L97 HydrophobicContact CE-CD1 4.34Å; M90-L97 HydrophobicContact CE-CD2 4.35Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.09Å; L97-I102 HydrophobicContact CB-CD1 3.82Å; L97-I102 HydrophobicContact CB-CG1 4.31Å; L97-I102 VanDerWaalsContact O-CD1 3.31Å; L97-I102 WeakPolarHBondContact O-CD1 3.48Å
98	R	51.4	Low	47.3	Very low	198 Å²	198	82.9 Å²	82.9	75%	0.747	42%	0.418	S	S	*	.			trans	-60.9	139.2	173.3	-60.9	-178.6	-175.1	168.9	1.7	110.3	N96 N100 N101	N96-R98 PolarHBondContact O-N 3.4Å; R98-N100 VanDerWaalsContact C-N 3.31Å; R98-N100 PolarHBondContact O-N 2.94Å; R98-N100 VanDerWaalsContact O-N 3.14Å; R98-N101 WeakPolarHBondContact O-CA 3.18Å; R98-N101 WeakPolarHBondContact O-CB 3.42Å; R98-N101 PolarHBondContact O-N 3.5Å
99	E	53	Low	47.8	Very low	106 Å²	106	78.5 Å²	78.5	50%	0.495	40%	0.395	S	S	.	.	H	α-helix	trans	-45.8	-47.2	-175	-170.7	177.7	-174.8	0	0	114.4	N101 I102 M103	E99-N101 PolarHBondContact O-N 2.84Å; E99-I102 PolarHBondContact O-N 3.03Å; E99-M103 HydrophobicContact CG-CG 4.49Å; E99-M103 PolarHBondContact O-N 3.4Å
100	N	48.1	Very low	48.5	Very low	131 Å²	131	76.7 Å²	76.7	70%	0.701	39%	0.391	S	S	*	.	H	α-helix	trans	-50.2	-32.8	176.1	-57.7	13.4	0	0	0	113.3	R98 A104	R98-N100 VanDerWaalsContact C-N 3.31Å; R98-N100 PolarHBondContact O-N 2.94Å; R98-N100 VanDerWaalsContact O-N 3.14Å; N100-A104 PolarHBondContact O-N 3.08Å
101	N	53.7	Low	48.8	Very low	42 Å²	42	85.7 Å²	85.7	23%	0.225	43%	0.425	C	S	.	.	H	α-helix	trans	-76.1	-39.3	-179.9	-57.1	-18.2	0	0	0	111.4	L56 R98 E99 M103 A104 V105	L56-N101 HydrophobicContact CD1-CB 3.84Å; L56-N101 HydrophobicContact CD2-CB 3.6Å; L56-N101 VanDerWaalsContact CD2-CG 3.41Å; L56-N101 HydrophobicContact CG-CB 4.36Å; R98-N101 WeakPolarHBondContact O-CA 3.18Å; R98-N101 WeakPolarHBondContact O-CB 3.42Å; R98-N101 PolarHBondContact O-N 3.5Å; E99-N101 PolarHBondContact O-N 2.84Å; N101-M103 VanDerWaalsContact C-N 3.34Å; N101-A104 PolarHBondContact O-N 3.07Å; N101-V105 WeakPolarHBondContact O-CG2 3.23Å; N101-V105 PolarHBondContact O-N 3.03Å; N101-V105 VanDerWaalsContact O-N 3.09Å
102	I	55.8	Low	49	Very low	13 Å²	13	83.5 Å²	83.5	7%	0.067	42%	0.42	C	S	.	.	H	α-helix	trans	-65.7	-40.6	172.3	-62.7	111.8	0	0	0	109.8	L97 E99 A104 V105 M106 C121 F124 V125	L97-I102 HydrophobicContact CB-CD1 3.82Å; L97-I102 HydrophobicContact CB-CG1 4.31Å; L97-I102 VanDerWaalsContact O-CD1 3.31Å; L97-I102 WeakPolarHBondContact O-CD1 3.48Å; E99-I102 PolarHBondContact O-N 3.03Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.96Å; I102-V105 PolarHBondContact O-N 3.13Å; I102-M106 WeakPolarHBondContact O-CB 3.09Å; I102-M106 PolarHBondContact O-N 3.27Å; I102-C121 HydrophobicContact CG2-CB 4.08Å; I102-F124 HydrophobicContact CD1-CD1 4.05Å; I102-F124 HydrophobicContact CD1-CE1 3.51Å; I102-F124 HydrophobicContact CD1-CZ 4.39Å; I102-F124 HydrophobicContact CG1-CD1 3.92Å; I102-F124 HydrophobicContact CG1-CE1 3.77Å; I102-F124 HydrophobicContact CG2-CD1 4.13Å; I102-V125 HydrophobicContact CG2-CG2 3.87Å
103	M	55.9	Low	49.4	Very low	93 Å²	93	87.2 Å²	87.2	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-37.3	176	-66.3	-60.7	-76.7	0	0	112.5	E99 N101 M106 A107 V125	E99-M103 HydrophobicContact CG-CG 4.49Å; E99-M103 PolarHBondContact O-N 3.4Å; N101-M103 VanDerWaalsContact C-N 3.34Å; M103-M106 PolarHBondContact O-N 3.23Å; M103-M106 HydrophobicContact SD-CE 3.65Å; M103-M106 HydrophobicContact SD-SD 4.47Å; M103-A107 VanDerWaalsContact O-CB 3.3Å; M103-A107 WeakPolarHBondContact O-CB 3.08Å; M103-A107 PolarHBondContact O-N 2.75Å; M103-V125 HydrophobicContact SD-CG2 4.28Å
104	A	54	Low	49.9	Very low	54 Å²	54	88.4 Å²	88.4	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-39.1	173.1	0	0	0	0	0	113.1	N100 N101 I102 T108	N100-A104 PolarHBondContact O-N 3.08Å; N101-A104 PolarHBondContact O-N 3.07Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.96Å; A104-T108 PolarHBondContact O-N 3.42Å; A104-T108 VanDerWaalsContact O-N 3.07Å; A104-T108 PolarHBondContact O-OG1 2.82Å
105	V	51.8	Low	50.5	Low	13 Å²	13	85.1 Å²	85.1	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-67.5	-39.8	173.3	173.5	0	0	0	0	111.1	L56 N101 I102 T108 A109	L56-V105 HydrophobicContact CD1-CG2 3.95Å; N101-V105 WeakPolarHBondContact O-CG2 3.23Å; N101-V105 PolarHBondContact O-N 3.03Å; N101-V105 VanDerWaalsContact O-N 3.09Å; I102-V105 PolarHBondContact O-N 3.13Å; V105-T108 WeakPolarHBondContact CA-OG1 3.21Å; V105-T108 PolarHBondContact O-N 3.2Å; V105-T108 PolarHBondContact O-OG1 3.41Å; V105-T108 VanDerWaalsContact O-OG1 3.09Å; V105-A109 VanDerWaalsContact O-CB 3.31Å; V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 2.79Å
106	M	58.8	Low	50.7	Low	17 Å²	17	89.2 Å²	89.2	8%	0.084	44%	0.443	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176.9	-163.9	-169	-46.4	0	0	111.9	I102 M103 A109 L110 V118 C121 R122 V125	I102-M106 WeakPolarHBondContact O-CB 3.09Å; I102-M106 PolarHBondContact O-N 3.27Å; M103-M106 PolarHBondContact O-N 3.23Å; M103-M106 HydrophobicContact SD-CE 3.65Å; M103-M106 HydrophobicContact SD-SD 4.47Å; M106-A109 PolarHBondContact O-N 3.36Å; M106-L110 WeakPolarHBondContact O-CB 2.97Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 2.85Å; M106-V118 HydrophobicContact CG-CG1 3.99Å; M106-C121 HydrophobicContact CB-CB 3.94Å; M106-C121 HydrophobicContact CE-CB 3.96Å; M106-C121 HydrophobicContact CG-CB 3.91Å; M106-R122 HydrophobicContact SD-CB 4.44Å; M106-V125 HydrophobicContact CE-CG2 3.83Å
107	A	52.8	Low	51.3	Low	57 Å²	57	82.4 Å²	82.4	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-39.1	176.2	0	0	0	0	0	112.5	M103 L110 Y111	M103-A107 VanDerWaalsContact O-CB 3.3Å; M103-A107 WeakPolarHBondContact O-CB 3.08Å; M103-A107 PolarHBondContact O-N 2.75Å; A107-L110 PolarHBondContact O-N 3.49Å; A107-Y111 WeakPolarHBondContact O-CB 3.42Å; A107-Y111 PolarHBondContact O-N 3.42Å
108	T	49.9	Very low	51.8	Low	50 Å²	50	81 Å²	81	31%	0.307	40%	0.4	S	S	.	.	H	α-helix	trans	-73.2	-32.8	174.9	46.8	0	0	0	0	112.7	A104 V105 L112	A104-T108 PolarHBondContact O-N 3.42Å; A104-T108 VanDerWaalsContact O-N 3.07Å; A104-T108 PolarHBondContact O-OG1 2.82Å; V105-T108 WeakPolarHBondContact CA-OG1 3.21Å; V105-T108 PolarHBondContact O-N 3.2Å; V105-T108 PolarHBondContact O-OG1 3.41Å; V105-T108 VanDerWaalsContact O-OG1 3.09Å; T108-L112 WeakPolarHBondContact O-CB 3.49Å; T108-L112 VanDerWaalsContact O-CG 3.27Å; T108-L112 WeakPolarHBondContact O-CG 3.35Å; T108-L112 PolarHBondContact O-N 3.41Å; T108-L112 VanDerWaalsContact O-N 3.16Å
109	A	53.2	Low	51.9	Low	2 Å²	2	74.9 Å²	74.9	2%	0.017	38%	0.382	C	S	.	.	H	α-helix	trans	-66.7	-40.3	170.4	0	0	0	0	0	112.5	V105 M106 L112 Q113 M114 V117 V118	V105-A109 VanDerWaalsContact O-CB 3.31Å; V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 2.79Å; M106-A109 PolarHBondContact O-N 3.36Å; A109-L112 CarbonylContact O-C 3.52Å; A109-L112 PolarHBondContact O-N 2.95Å; A109-Q113 PolarHBondContact O-N 2.76Å; A109-M114 HydrophobicContact CB-CB 4.38Å; A109-M114 PolarHBondContact O-N 2.99Å; A109-V117 HydrophobicContact CB-CB 4.06Å; A109-V117 HydrophobicContact CB-CG1 3.87Å; A109-V118 HydrophobicContact CB-CG2 3.64Å
110	L	55.7	Low	51.9	Low	94 Å²	94	72 Å²	72	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-48.6	172.6	-85.2	166.8	0	0	0	111.5	M106 A107 L112 Q113 V118	M106-L110 WeakPolarHBondContact O-CB 2.97Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 2.85Å; A107-L110 PolarHBondContact O-N 3.49Å; L110-L112 PolarHBondContact O-N 3.12Å; L110-Q113 PolarHBondContact O-N 3.46Å; L110-V118 HydrophobicContact CB-CG2 4.25Å; L110-V118 HydrophobicContact CD1-CG1 4.37Å; L110-V118 HydrophobicContact CD2-CB 4.47Å; L110-V118 HydrophobicContact CD2-CG1 3.76Å; L110-V118 HydrophobicContact CD2-CG2 3.96Å; L110-V118 HydrophobicContact CG-CB 4.4Å; L110-V118 HydrophobicContact CG-CG1 3.77Å; L110-V118 HydrophobicContact CG-CG2 3.67Å
111	Y	51.5	Low	52.3	Low	203 Å²	203	66.1 Å²	66.1	80%	0.796	34%	0.341	S	S	*	.	H	α-helix	trans	-60	-30	177.8	-178.9	-99	0	0	0	113	A107	A107-Y111 WeakPolarHBondContact O-CB 3.42Å; A107-Y111 PolarHBondContact O-N 3.42Å
112	L	45.3	Very low	52.7	Low	54 Å²	54	70.3 Å²	70.3	28%	0.283	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.4	177.1	-64.2	171.2	0	0	0	113.7	T48 V49 T108 A109 L110 M114	T48-L112 WeakPolarHBondContact OG1-CD1 3.09Å; V49-L112 HydrophobicContact CG2-CD1 3.97Å; T108-L112 WeakPolarHBondContact O-CB 3.49Å; T108-L112 VanDerWaalsContact O-CG 3.27Å; T108-L112 WeakPolarHBondContact O-CG 3.35Å; T108-L112 PolarHBondContact O-N 3.41Å; T108-L112 VanDerWaalsContact O-N 3.16Å; A109-L112 CarbonylContact O-C 3.52Å; A109-L112 PolarHBondContact O-N 2.95Å; L110-L112 PolarHBondContact O-N 3.12Å; L112-M114 HydrophobicContact CB-CG 4Å; L112-M114 PolarHBondContact O-N 3.44Å; L112-M114 VanDerWaalsContact O-N 3.17Å
113	Q	45.7	Very low	52.9	Low	173 Å²	173	77.3 Å²	77.3	81%	0.808	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	25.7	-178.5	-59.5	179.7	-16.4	0	0	114.2	A109 L110 E115	A109-Q113 PolarHBondContact O-N 2.76Å; L110-Q113 PolarHBondContact O-N 3.46Å; Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 2.73Å
114	M	45.3	Very low	52.9	Low	82 Å²	82	75.7 Å²	75.7	40%	0.404	37%	0.369	S	S	.	.			trans	-85.2	64.2	-178	-67.2	-65.2	-65.6	0	0	111.1	A109 L112 H116 V117 V118	A109-M114 HydrophobicContact CB-CB 4.38Å; A109-M114 PolarHBondContact O-N 2.99Å; L112-M114 HydrophobicContact CB-CG 4Å; L112-M114 PolarHBondContact O-N 3.44Å; L112-M114 VanDerWaalsContact O-N 3.17Å; M114-H116 VanDerWaalsContact C-N 3.31Å; M114-H116 PolarHBondContact O-N 3.01Å; M114-H116 VanDerWaalsContact O-N 3.16Å; M114-V117 HydrophobicContact CB-CB 4.21Å; M114-V117 HydrophobicContact CB-CG2 4.17Å; M114-V117 HydrophobicContact CE-CG2 4.27Å; M114-V117 WeakPolarHBondContact O-CB 3.19Å; M114-V117 PolarHBondContact O-N 3.48Å; M114-V118 PolarHBondContact O-N 3.38Å; M114-V118 VanDerWaalsContact O-N 3.12Å
115	E	51	Low	53.2	Low	153 Å²	153	74 Å²	74	72%	0.715	35%	0.353	S	S	*	.	H	α-helix	trans	-51.3	-43.5	-169.8	-63.6	-168.7	153.3	0	0	113.6	Q113 V117 V118 D119	Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 2.73Å; E115-V117 VanDerWaalsContact C-N 3.26Å; E115-V117 PolarHBondContact O-N 3.28Å; E115-V118 WeakPolarHBondContact O-CB 3.38Å; E115-V118 PolarHBondContact O-N 3.33Å; E115-V118 VanDerWaalsContact O-N 3.12Å; E115-D119 WeakPolarHBondContact O-CB 3.49Å; E115-D119 PolarHBondContact O-N 3.39Å
116	H	48.2	Very low	53.6	Low	145 Å²	145	79.8 Å²	79.8	67%	0.671	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-30.2	177.6	-55.6	-48.6	0	0	0	114.4	M114 T120	M114-H116 VanDerWaalsContact C-N 3.31Å; M114-H116 PolarHBondContact O-N 3.01Å; M114-H116 VanDerWaalsContact O-N 3.16Å; H116-T120 WeakPolarHBondContact O-CB 3.48Å; H116-T120 PolarHBondContact O-N 2.83Å; H116-T120 VanDerWaalsContact O-N 3.14Å; H116-T120 PolarHBondContact O-OG1 3.21Å
117	V	50.4	Low	53.5	Low	13 Å²	13	81.5 Å²	81.5	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-77.8	-41.6	175.5	-178	0	0	0	0	109.8	F83 A109 M114 E115 D119 T120 C121	F83-V117 HydrophobicContact CD1-CG2 4.27Å; F83-V117 HydrophobicContact CE1-CG1 4.03Å; A109-V117 HydrophobicContact CB-CB 4.06Å; A109-V117 HydrophobicContact CB-CG1 3.87Å; M114-V117 HydrophobicContact CB-CB 4.21Å; M114-V117 HydrophobicContact CB-CG2 4.17Å; M114-V117 HydrophobicContact CE-CG2 4.27Å; M114-V117 WeakPolarHBondContact O-CB 3.19Å; M114-V117 PolarHBondContact O-N 3.48Å; E115-V117 VanDerWaalsContact C-N 3.26Å; E115-V117 PolarHBondContact O-N 3.28Å; V117-D119 VanDerWaalsContact C-N 3.3Å; V117-D119 PolarHBondContact O-N 3.12Å; V117-T120 PolarHBondContact O-N 3.36Å; V117-C121 PolarHBondContact O-N 2.98Å; V117-C121 PolarHBondContact O-SG 3.04Å; V117-C121 VanDerWaalsContact O-SG 3.38Å
118	V	56.8	Low	53.6	Low	8 Å²	8	80.6 Å²	80.6	5%	0.048	38%	0.381	C	S	.	.	H	α-helix	trans	-58	-44.8	173.4	177.9	0	0	0	0	110.8	M106 A109 L110 M114 E115 C121 R122	M106-V118 HydrophobicContact CG-CG1 3.99Å; A109-V118 HydrophobicContact CB-CG2 3.64Å; L110-V118 HydrophobicContact CB-CG2 4.25Å; L110-V118 HydrophobicContact CD1-CG1 4.37Å; L110-V118 HydrophobicContact CD2-CB 4.47Å; L110-V118 HydrophobicContact CD2-CG1 3.76Å; L110-V118 HydrophobicContact CD2-CG2 3.96Å; L110-V118 HydrophobicContact CG-CB 4.4Å; L110-V118 HydrophobicContact CG-CG1 3.77Å; L110-V118 HydrophobicContact CG-CG2 3.67Å; M114-V118 PolarHBondContact O-N 3.38Å; M114-V118 VanDerWaalsContact O-N 3.12Å; E115-V118 WeakPolarHBondContact O-CB 3.38Å; E115-V118 PolarHBondContact O-N 3.33Å; E115-V118 VanDerWaalsContact O-N 3.12Å; V118-C121 PolarHBondContact O-N 3.13Å; V118-R122 VanDerWaalsContact O-CB 3.24Å; V118-R122 WeakPolarHBondContact O-CB 3.14Å; V118-R122 PolarHBondContact O-N 2.85Å
119	D	52.3	Low	53.8	Low	69 Å²	69	83.3 Å²	83.3	37%	0.369	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-41	179.7	-126.5	34.5	0	0	0	111.7	E115 V117 R122 R123	E115-D119 WeakPolarHBondContact O-CB 3.49Å; E115-D119 PolarHBondContact O-N 3.39Å; V117-D119 VanDerWaalsContact C-N 3.3Å; V117-D119 PolarHBondContact O-N 3.12Å; D119-R122 PolarHBondContact O-N 2.8Å; D119-R123 WeakPolarHBondContact O-CB 3.39Å; D119-R123 WeakPolarHBondContact O-CG 3.12Å; D119-R123 PolarHBondContact O-N 3.3Å; D119-R123 IonicContact OD2-CZ 3.64Å; D119-R123 IonicContact OD2-NE 3.71Å; D119-R123 IonicContact OD2-NH2 2.75Å; D119-R123 PolarHBondContact OD2-NH2 2.95Å
120	T	54.5	Low	53.8	Low	46 Å²	46	86.1 Å²	86.1	28%	0.282	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-46.6	173.5	-58.1	0	0	0	0	111.1	H116 V117 R122 R123 F124	H116-T120 WeakPolarHBondContact O-CB 3.48Å; H116-T120 PolarHBondContact O-N 2.83Å; H116-T120 VanDerWaalsContact O-N 3.14Å; H116-T120 PolarHBondContact O-OG1 3.21Å; V117-T120 PolarHBondContact O-N 3.36Å; T120-R122 VanDerWaalsContact C-N 3.34Å; T120-R122 PolarHBondContact O-N 2.75Å; T120-R123 PolarHBondContact O-N 3.18Å; T120-F124 WeakPolarHBondContact O-CB 3.28Å; T120-F124 PolarHBondContact O-N 3.28Å
121	C	55.4	Low	53.5	Low	8 Å²	8	86.9 Å²	86.9	5%	0.054	42%	0.415	C	S	.	.	H	α-helix	trans	-64.8	-34.6	174.5	-67.3	0	0	0	0	112.9	I102 M106 V117 V118 F124 V125	I102-C121 HydrophobicContact CG2-CB 4.08Å; M106-C121 HydrophobicContact CB-CB 3.94Å; M106-C121 HydrophobicContact CE-CB 3.96Å; M106-C121 HydrophobicContact CG-CB 3.91Å; V117-C121 PolarHBondContact O-N 2.98Å; V117-C121 PolarHBondContact O-SG 3.04Å; V117-C121 VanDerWaalsContact O-SG 3.38Å; V118-C121 PolarHBondContact O-N 3.13Å; C121-F124 WeakPolarHBondContact O-CB 3.17Å; C121-F124 PolarHBondContact O-N 2.99Å; C121-V125 WeakPolarHBondContact O-CG2 3.13Å; C121-V125 PolarHBondContact O-N 2.81Å
122	R	62.6	Low	52.9	Low	130 Å²	130	83 Å²	83	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-71	-34.9	177.2	-176.6	-179.1	-67.9	-133.8	0.1	112.1	M106 V118 D119 T120 K126	M106-R122 HydrophobicContact SD-CB 4.44Å; V118-R122 VanDerWaalsContact O-CB 3.24Å; V118-R122 WeakPolarHBondContact O-CB 3.14Å; V118-R122 PolarHBondContact O-N 2.85Å; D119-R122 PolarHBondContact O-N 2.8Å; T120-R122 VanDerWaalsContact C-N 3.34Å; T120-R122 PolarHBondContact O-N 2.75Å; R122-K126 WeakPolarHBondContact O-CG 3.14Å; R122-K126 PolarHBondContact O-N 3.25Å
123	R	59.8	Low	53	Low	160 Å²	160	85.5 Å²	85.5	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-66.7	-43.8	169.2	-68.1	166.5	-154.4	-168.9	6.9	110.4	D119 T120 V125 K126 S127	D119-R123 WeakPolarHBondContact O-CB 3.39Å; D119-R123 WeakPolarHBondContact O-CG 3.12Å; D119-R123 PolarHBondContact O-N 3.3Å; D119-R123 IonicContact OD2-CZ 3.64Å; D119-R123 IonicContact OD2-NE 3.71Å; D119-R123 IonicContact OD2-NH2 2.75Å; D119-R123 PolarHBondContact OD2-NH2 2.95Å; T120-R123 PolarHBondContact O-N 3.18Å; R123-V125 PolarHBondContact O-N 3.47Å; R123-K126 PolarHBondContact O-N 3.36Å; R123-S127 PolarHBondContact O-N 2.59Å; R123-S127 PolarHBondContact O-OG 2.96Å; R123-S127 VanDerWaalsContact O-OG 3.09Å
124	F	55.3	Low	52.9	Low	59 Å²	59	81.2 Å²	81.2	26%	0.259	41%	0.412	S	S	.	.	H	α-helix	trans	-55.7	-50.7	178.3	-173.1	-79.5	0	0	0	112.7	Y91 I102 T120 C121 K126 S127 S128	Y91-F124 AromaticContact CD2-CE2 3.81Å; Y91-F124 HydrophobicContact CD2-CE2 3.81Å; Y91-F124 HydrophobicContact CD2-CZ 4.31Å; Y91-F124 HydrophobicContact CE2-CE2 4.43Å; Y91-F124 HydrophobicContact CG-CE2 4.37Å; I102-F124 HydrophobicContact CD1-CD1 4.05Å; I102-F124 HydrophobicContact CD1-CE1 3.51Å; I102-F124 HydrophobicContact CD1-CZ 4.39Å; I102-F124 HydrophobicContact CG1-CD1 3.92Å; I102-F124 HydrophobicContact CG1-CE1 3.77Å; I102-F124 HydrophobicContact CG2-CD1 4.13Å; T120-F124 WeakPolarHBondContact O-CB 3.28Å; T120-F124 PolarHBondContact O-N 3.28Å; C121-F124 WeakPolarHBondContact O-CB 3.17Å; C121-F124 PolarHBondContact O-N 2.99Å; F124-K126 VanDerWaalsContact C-N 3.33Å; F124-K126 PolarHBondContact O-N 2.85Å; F124-S127 WeakPolarHBondContact CA-OG 3.12Å; F124-S127 PolarHBondContact O-N 3.03Å; F124-S127 PolarHBondContact O-OG 3.14Å; F124-S128 PolarHBondContact O-N 2.87Å; F124-S128 PolarHBondContact O-OG 3.22Å
125	V	60.8	Low	52.6	Low	17 Å²	17	80.4 Å²	80.4	10%	0.103	42%	0.419	C	S	.	.	H	α-helix	trans	-58.5	-45.9	178.2	172.8	0	0	0	0	110.8	I102 M103 M106 C121 R123 S127 S128 E129	I102-V125 HydrophobicContact CG2-CG2 3.87Å; M103-V125 HydrophobicContact SD-CG2 4.28Å; M106-V125 HydrophobicContact CE-CG2 3.83Å; C121-V125 WeakPolarHBondContact O-CG2 3.13Å; C121-V125 PolarHBondContact O-N 2.81Å; R123-V125 PolarHBondContact O-N 3.47Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.49Å; V125-S128 WeakPolarHBondContact CA-OG 3.31Å; V125-S128 PolarHBondContact O-N 2.76Å; V125-S128 VanDerWaalsContact O-N 3.15Å; V125-S128 PolarHBondContact O-OG 2.86Å; V125-E129 WeakPolarHBondContact O-CG 3.2Å; V125-E129 PolarHBondContact O-N 2.86Å
126	K	59.8	Low	51.8	Low	135 Å²	135	80.4 Å²	80.4	59%	0.587	42%	0.42	S	S	*	.	H	α-helix	trans	-63.5	-34.4	177.6	-71	-178.8	173.7	-165.3	0	113.8	R122 R123 F124 A130	R122-K126 WeakPolarHBondContact O-CG 3.14Å; R122-K126 PolarHBondContact O-N 3.25Å; R123-K126 PolarHBondContact O-N 3.36Å; F124-K126 VanDerWaalsContact C-N 3.33Å; F124-K126 PolarHBondContact O-N 2.85Å; K126-A130 WeakPolarHBondContact O-CB 3.48Å; K126-A130 PolarHBondContact O-N 3.12Å; K126-A130 VanDerWaalsContact O-N 3.1Å
127	S	56.5	Low	51.5	Low	54 Å²	54	81.1 Å²	81.1	38%	0.378	42%	0.422	S	S	.	.	H	α-helix	trans	-69.8	-39.3	172.3	41.3	0	0	0	0	112.2	R123 F124 V125 A130 E131	R123-S127 PolarHBondContact O-N 2.59Å; R123-S127 PolarHBondContact O-OG 2.96Å; R123-S127 VanDerWaalsContact O-OG 3.09Å; F124-S127 WeakPolarHBondContact CA-OG 3.12Å; F124-S127 PolarHBondContact O-N 3.03Å; F124-S127 PolarHBondContact O-OG 3.14Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.49Å; S127-A130 PolarHBondContact O-N 2.88Å; S127-E131 WeakPolarHBondContact O-CG 3.44Å; S127-E131 PolarHBondContact O-N 2.67Å
128	S	55.5	Low	51.2	Low	37 Å²	37	85 Å²	85	26%	0.259	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	-34.3	175.1	47.6	0	0	0	0	113.1	F124 V125 M132	F124-S128 PolarHBondContact O-N 2.87Å; F124-S128 PolarHBondContact O-OG 3.22Å; V125-S128 WeakPolarHBondContact CA-OG 3.31Å; V125-S128 PolarHBondContact O-N 2.76Å; V125-S128 VanDerWaalsContact O-N 3.15Å; V125-S128 PolarHBondContact O-OG 2.86Å; S128-M132 WeakPolarHBondContact O-CB 3.25Å; S128-M132 PolarHBondContact O-N 3.22Å
129	E	53.5	Low	50.3	Low	107 Å²	107	90.2 Å²	90.2	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-46.2	169.6	-71.5	176.8	129.9	0	0	110.9	V125 M132 V133	V125-E129 WeakPolarHBondContact O-CG 3.2Å; V125-E129 PolarHBondContact O-N 2.86Å; E129-M132 PolarHBondContact O-N 2.84Å; E129-V133 WeakPolarHBondContact O-CB 3.22Å; E129-V133 VanDerWaalsContact O-CG2 3.3Å; E129-V133 WeakPolarHBondContact O-CG2 3.49Å; E129-V133 PolarHBondContact O-N 2.24Å
130	A	53.2	Low	49.4	Very low	62 Å²	62	97 Å²	97	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-64	-40.8	178.2	0	0	0	0	0	112.8	K126 S127 S134	K126-A130 WeakPolarHBondContact O-CB 3.48Å; K126-A130 PolarHBondContact O-N 3.12Å; K126-A130 VanDerWaalsContact O-N 3.1Å; S127-A130 PolarHBondContact O-N 2.88Å; A130-S134 VanDerWaalsContact O-CB 3.32Å; A130-S134 WeakPolarHBondContact O-CB 3.16Å; A130-S134 PolarHBondContact O-N 3.23Å
131	E	50.7	Low	48.8	Very low	109 Å²	109	102.1 Å²	102.1	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-38.3	175	-72.7	-171	153.9	0	0	112.3	Y91 S127 S134 A135	Y91-E131 PolarHBondContact OH-OE1 2.99Å; S127-E131 WeakPolarHBondContact O-CG 3.44Å; S127-E131 PolarHBondContact O-N 2.67Å; E131-S134 WeakPolarHBondContact O-CB 3.17Å; E131-S134 PolarHBondContact O-N 3.03Å; E131-A135 VanDerWaalsContact O-CB 3.3Å; E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.45Å
132	M	38.8	Very low	47.8	Very low	121 Å²	121	109.1 Å²	109.1	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-68.2	-40.8	173.9	-83	-167.7	59.2	0	0	113	S128 E129 S134 A135 M136	S128-M132 WeakPolarHBondContact O-CB 3.25Å; S128-M132 PolarHBondContact O-N 3.22Å; E129-M132 PolarHBondContact O-N 2.84Å; M132-S134 VanDerWaalsContact C-N 3.28Å; M132-S134 PolarHBondContact O-N 3.34Å; M132-A135 PolarHBondContact O-N 2.69Å; M132-M136 WeakPolarHBondContact O-CB 3.16Å; M132-M136 PolarHBondContact O-N 3.37Å
133	V	46.9	Very low	46.5	Very low	107 Å²	107	112.4 Å²	112.4	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-66.6	-32.6	175.7	170	0	0	0	0	111.2	E129	E129-V133 WeakPolarHBondContact O-CB 3.22Å; E129-V133 VanDerWaalsContact O-CG2 3.3Å; E129-V133 WeakPolarHBondContact O-CG2 3.49Å; E129-V133 PolarHBondContact O-N 2.24Å
134	S	43.3	Very low	45.5	Very low	83 Å²	83	111.9 Å²	111.9	58%	0.58	58%	0.579	S	S	*	*	H	α-helix	trans	-65.9	-53	169.4	-172.4	0	0	0	0	111.4	A130 E131 M132 M136 K137	A130-S134 VanDerWaalsContact O-CB 3.32Å; A130-S134 WeakPolarHBondContact O-CB 3.16Å; A130-S134 PolarHBondContact O-N 3.23Å; E131-S134 WeakPolarHBondContact O-CB 3.17Å; E131-S134 PolarHBondContact O-N 3.03Å; M132-S134 VanDerWaalsContact C-N 3.28Å; M132-S134 PolarHBondContact O-N 3.34Å; S134-M136 VanDerWaalsContact C-N 3.33Å; S134-M136 PolarHBondContact O-N 2.8Å; S134-K137 WeakPolarHBondContact O-CB 3.5Å; S134-K137 PolarHBondContact O-N 2.82Å
135	A	38.7	Very low	44.8	Very low	66 Å²	66	113.2 Å²	113.2	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-63.9	-32.4	-177.3	0	0	0	0	0	113.8	E131 M132 K137	E131-A135 VanDerWaalsContact O-CB 3.3Å; E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.45Å; M132-A135 PolarHBondContact O-N 2.69Å; A135-K137 PolarHBondContact O-N 3.2Å
136	M	35.1	Very low	43.5	Very low	153 Å²	153	116 Å²	116	75%	0.754	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-15.5	172.9	-80.8	-167.2	165.7	0	0	113.8	M132 S134	M132-M136 WeakPolarHBondContact O-CB 3.16Å; M132-M136 PolarHBondContact O-N 3.37Å; S134-M136 VanDerWaalsContact C-N 3.33Å; S134-M136 PolarHBondContact O-N 2.8Å
137	K	42.5	Very low	42.2	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-6.8	-174.8	-136	178.5	-179.6	-171.6	0	114.7	S134 A135	S134-K137 WeakPolarHBondContact O-CB 3.5Å; S134-K137 PolarHBondContact O-N 2.82Å; A135-K137 PolarHBondContact O-N 3.2Å
138	T	42.3	Very low	40.8	Very low	94 Å²	94	124.6 Å²	124.6	58%	0.577	66%	0.662	S	S	*	*			trans	-126	97.8	171.6	52.6	0	0	0	0	108.7
139	P	38.1	Very low	39.6	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	69%	0.686	S	S	*	*	S	Bend		-147.9	89.2	80	36	-16	0	0	0	113.3
140	R	34.2	Very low	38.5	Very low	213 Å²	213	129.9 Å²	129.9	80%	0.804	70%	0.698	S	S	*	*	S	Bend	trans	-142.5	-24	170.7	-149.4	171.8	-173.5	174	1.6	115.7
141	E	41.3	Very low	37.3	Very low	153 Å²	153	134.5 Å²	134.5	72%	0.715	71%	0.709	S	S	*	*	S	Bend	trans	-91.7	-35	-177.2	-64.4	-179.6	163.2	0	0	112.7	F143 L144	E141-F143 PolarHBondContact O-N 2.8Å; E141-L144 PolarHBondContact O-N 3.32Å
142	E	35	Very low	36.9	Very low	154 Å²	154	134 Å²	134	72%	0.72	72%	0.715	S	S	*	*	H	α-helix	trans	-61.4	-27.5	174.7	-64.9	-174.8	136.3	0	0	113.1	L144 A145	E142-L144 PolarHBondContact O-N 2.85Å; E142-A145 PolarHBondContact O-N 3.48Å
143	F	36.3	Very low	36.4	Very low	200 Å²	200	136.5 Å²	136.5	88%	0.877	73%	0.725	S	S	*	*	H	α-helix	trans	-71.8	-7.3	178	-136.8	-88.3	0	0	0	113.7	E141	E141-F143 PolarHBondContact O-N 2.8Å
144	L	38.4	Very low	35.5	Very low	149 Å²	149	137 Å²	137	78%	0.78	73%	0.729	S	S	*	*	H	α-helix	trans	-108.4	-13.1	178	-66.4	174.2	0	0	0	113.6	E141 E142	E141-L144 PolarHBondContact O-N 3.32Å; E142-L144 PolarHBondContact O-N 2.85Å
145	A	39.7	Very low	34.9	Very low	87 Å²	87	141.2 Å²	141.2	72%	0.719	74%	0.741	S	S	*	*	H	α-helix	trans	-89.4	-15.4	179.7	0	0	0	0	0	114.1	E142 R147	E142-A145 PolarHBondContact O-N 3.48Å; A145-R147 PolarHBondContact O-N 2.78Å
146	G	33	Very low	34.4	Very low	74 Å²	74	142.2 Å²	142.2	76%	0.763	75%	0.749	S	S	*	*	S	Bend	trans	-88.1	16.7	-171.9	0	0	0	0	0	116.9
147	R	33.2	Very low	33.9	Very low	215 Å²	215	145.5 Å²	145.5	81%	0.811	75%	0.754	S	S	*	*			trans	-150.1	149.3	-176.9	-139.2	175.7	-172.2	-175.8	1.9	111.8	A145	A145-R147 PolarHBondContact O-N 2.78Å
148	M	26.5	Very low	33.2	Very low	156 Å²	156	148.2 Å²	148.2	77%	0.768	76%	0.76	S	S	*	*			trans	75.6	134	-163.2	-50.7	-67.5	91.1	0	0	111.6
149	L	31.9	Very low	32.4	Very low	146 Å²	146	148.3 Å²	148.3	76%	0.764	77%	0.765	S	S	*	*			cis	-120	167.3	1	-63.8	164	0	0	0	108.6
150	S	28.6	Very low	31.9	Very low	109 Å²	109	153 Å²	153	76%	0.762	77%	0.768	S	S	*	*			cis	-166.6	168.2	34.4	63.5	0	0	0	0	108.7
151	H	28.1	Very low	31.6	Very low	159 Å²	159	148 Å²	148	74%	0.736	76%	0.757	S	S	*	*			cis	-164	-158.4	-19.7	-132.7	-33	0	0	0	107.4
152	P	43.7	Very low	31	Very low	99 Å²	99	148 Å²	148	64%	0.643	76%	0.76	S	S	*	*				-87.3	-160.7	-79.2	35.5	-17	0	0	0	110.9
153	E	27.3	Very low	30.7	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	76%	0.758	S	S	*	*			cis	-164.4	-179.3	19.1	-159.7	164.8	-113.1	0	0	111.9
154	V	29.1	Very low	30.2	Very low	119 Å²	119	143.6 Å²	143.6	72%	0.721	75%	0.753	S	S	*	*			trans	85.8	105.4	160.4	-173.6	0	0	0	0	120.5
155	M	30.9	Very low	29.7	Very low	171 Å²	171	142.5 Å²	142.5	84%	0.842	75%	0.748	S	S	*	*			trans	73.4	98.1	143.9	-61.6	-66.2	171.9	0	0	124.8
156	A	27.3	Very low	29.1	Very low	86 Å²	86	143.6 Å²	143.6	71%	0.711	75%	0.751	S	S	*	*				53.4	121.8	115.3	0	0	0	0	0	124.1
157	Y	25.7	Very low	28.9	Very low	222 Å²	222	146.9 Å²	146.9	87%	0.871	75%	0.748	S	S	*	*				-158.2	176.7	111.5	-139	-111.8	0	0	0	113.5
158	R	26.8	Very low	28.7	Very low	217 Å²	217	144 Å²	144	82%	0.819	74%	0.743	S	S	*	*			trans	-83.9	171	179.2	-54.7	176	177.3	172.9	-1.8	111.3
159	S	25.1	Very low	28.8	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	74%	0.742	S	S	*	*			cis	-167.3	165.3	31.5	-43.9	0	0	0	0	113.3
160	R	28.9	Very low	28.7	Very low	217 Å²	217	146.6 Å²	146.6	82%	0.819	74%	0.744	S	S	*	*				41.2	149.9	128	-66.6	-173.4	125.4	146.3	5.7	121.6
161	D	26.3	Very low	28.6	Very low	108 Å²	108	147.5 Å²	147.5	58%	0.578	74%	0.74	S	S	*	*			cis	-167.9	179.8	-0.4	-105.9	-15.1	0	0	0	109.9
162	I	29.6	Very low	28.5	Very low	151 Å²	151	142.5 Å²	142.5	77%	0.774	73%	0.732	S	S	*	*			trans	72.2	120.7	159.1	-70.5	148.8	0	0	0	116
163	S	29.3	Very low	28	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	74%	0.74	S	S	*	*			cis	79.6	142.2	40.8	88.7	0	0	0	0	113.4
164	E	25.3	Very low	28.1	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.762	74%	0.74	S	S	*	*			cis	-144.9	166.8	4.6	-86.7	-141.1	86.6	0	0	110.2
165	N	26.6	Very low	28.1	Very low	126 Å²	126	141.5 Å²	141.5	67%	0.674	74%	0.738	S	S	*	*			cis	121.7	65.6	2.4	-177	49.9	0	0	0	115.6
166	S	27.1	Very low	28.1	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	73%	0.734	S	S	*	*			trans	-159.3	125.4	165.4	-164.6	0	0	0	0	109.8
167	M	29.3	Very low	28	Very low	142 Å²	142	138.7 Å²	138.7	70%	0.7	73%	0.728	S	S	*	*				79.6	146.1	51.7	-64.4	-65.6	175.9	0	0	113.2
168	H	30.4	Very low	28.3	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.718	73%	0.73	S	S	*	*			cis	-161.4	-179.5	22.1	-139.8	3.3	0	0	0	114.8
169	L	28.4	Very low	28.3	Very low	143 Å²	143	133.1 Å²	133.1	75%	0.749	72%	0.722	S	S	*	*			trans	69.5	134.6	167.2	-60	154.9	0	0	0	116.2
170	R	29.4	Very low	28.3	Very low	214 Å²	214	138.3 Å²	138.3	81%	0.808	73%	0.733	S	S	*	*			cis	-163.7	162.6	-4.3	-145.7	-174.8	167.4	136.5	1.4	106.8
171	N	26	Very low	28.5	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	73%	0.729	S	S	*	*			cis	-133	-160	4.2	-151.2	50.6	0	0	0	106.3
172	G	25.9	Very low	29.3	Very low	55 Å²	55	133.1 Å²	133.1	57%	0.567	74%	0.74	S	S	*	*			cis	94.8	114.4	6.4	0	0	0	0	0	113.1
173	S	33.9	Very low	29.2	Very low	116 Å²	116	129 Å²	129	81%	0.811	74%	0.736	S	S	*	*			cis	-146.4	-156.4	-0.7	-148.1	0	0	0	0	108.4
174	L	29.3	Very low	29.1	Very low	152 Å²	152	131.8 Å²	131.8	80%	0.796	74%	0.742	S	S	*	*			cis	-156.7	-176.7	17.1	-164.3	52.2	0	0	0	111.2
175	C	29.5	Very low	29.2	Very low	101 Å²	101	132.3 Å²	132.3	68%	0.682	74%	0.742	S	S	*	*			trans	-49.3	163.4	174.3	-61	0	0	0	0	117.4
176	D	29.4	Very low	29.3	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	74%	0.744	S	S	*	*			cis	-164.8	179.3	-12.1	-117.3	-111.9	0	0	0	107
177	G	26.1	Very low	29.2	Very low	57 Å²	57	131.8 Å²	131.8	59%	0.588	74%	0.738	S	S	*	*			cis	148.5	142	-4.6	0	0	0	0	0	113.7
178	R	31.4	Very low	29.4	Very low	244 Å²	244	132.7 Å²	132.7	92%	0.921	74%	0.744	S	S	*	*			trans	68.3	156.6	175.7	-53.5	-178.1	-172.8	-164.2	1.2	117
179	A	27.1	Very low	29.3	Very low	78 Å²	78	130.7 Å²	130.7	65%	0.645	75%	0.748	S	S	*	*			cis	-170.7	178.1	-27.7	0	0	0	0	0	110.6
180	F	25.7	Very low	29.2	Very low	205 Å²	205	127.7 Å²	127.7	90%	0.899	75%	0.751	S	S	*	*			trans	83.7	121.2	166	-72.7	-84.1	0	0	0	122
181	A	33.3	Very low	29.2	Very low	89 Å²	89	123.1 Å²	123.1	74%	0.736	75%	0.752	S	S	*	*			trans	-114.7	166.7	134.7	0	0	0	0	0	107.2
182	P	41.8	Very low	29.4	Very low	126 Å²	126	121.5 Å²	121.5	82%	0.818	75%	0.751	S	S	*	*				-160	172.6	85.4	41.8	-22.1	0	0	0	118.2
183	G	28.4	Very low	29.5	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	76%	0.762	S	S	*	*			trans	102.3	152.1	149	0	0	0	0	0	117.5
184	L	27.3	Very low	29	Very low	156 Å²	156	126 Å²	126	82%	0.817	76%	0.76	S	S	*	*			cis	-148.4	143.3	5.5	-70.6	173.8	0	0	0	113
185	F	26.9	Very low	28.9	Very low	175 Å²	175	129.3 Å²	129.3	77%	0.768	76%	0.763	S	S	*	*			trans	48.2	120.3	142.8	-74.1	-106.1	0	0	0	121.4
186	N	28.5	Very low	29.6	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	77%	0.768	S	S	*	*				82.1	140.8	83.3	-121.5	18.5	0	0	0	113.3
187	S	26.1	Very low	29.4	Very low	92 Å²	92	126.5 Å²	126.5	64%	0.643	76%	0.763	S	S	*	*			cis	-152.6	162.8	20.8	-58.9	0	0	0	0	114.7
188	L	33.1	Very low	29.5	Very low	160 Å²	160	135.3 Å²	135.3	84%	0.838	78%	0.78	S	S	*	*			trans	-3.1	155.5	139.7	-64.7	163.9	0	0	0	119.3
189	S	28.6	Very low	29.4	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	77%	0.771	S	S	*	*			cis	179.3	165.3	-1.8	47.9	0	0	0	0	110.7
190	G	25.9	Very low	29.7	Very low	79 Å²	79	130.8 Å²	130.8	81%	0.814	78%	0.778	S	S	*	*			trans	160.1	87.6	160.8	0	0	0	0	0	119.5
191	S	29.1	Very low	30.1	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	78%	0.776	S	S	*	*			trans	-81.4	173.9	169.2	-26.4	0	0	0	0	111.7
192	S	29.2	Very low	30.1	Very low	93 Å²	93	130.2 Å²	130.2	65%	0.65	78%	0.778	S	S	*	*			cis	177	-174.7	-17.2	48.9	0	0	0	0	109.7
193	I	28.9	Very low	29.4	Very low	155 Å²	155	131.3 Å²	131.3	80%	0.795	78%	0.776	S	S	*	*			trans	78.4	146.7	162	-62.6	157.6	0	0	0	113.8
194	S	24	Very low	29.3	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	78%	0.781	S	S	*	*			cis	-150.3	165	27	-2	0	0	0	0	116.3
195	Y	26.3	Very low	29.2	Very low	222 Å²	222	131.1 Å²	131.1	87%	0.871	78%	0.777	S	S	*	*			trans	-87.5	-171.8	159.4	-114.6	-115.8	0	0	0	110.3
196	P	44	Very low	29.2	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	78%	0.779	S	S	*	*			cis	-134.4	-169.9	-2.8	43.1	-26.1	0	0	0	115.1
197	G	25.7	Very low	29.2	Very low	63 Å²	63	131.7 Å²	131.7	65%	0.649	78%	0.779	S	S	*	*			trans	149.1	91	143	0	0	0	0	0	121.8
198	Y	27.2	Very low	29.4	Very low	243 Å²	243	132.4 Å²	132.4	95%	0.953	78%	0.779	S	S	*	*			trans	55.8	163.9	146.9	-81.6	-90.9	0	0	0	123.6
199	S	29.2	Very low	29.1	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	77%	0.769	S	S	*	*			trans	-128.9	165.2	-176	63.4	0	0	0	0	110.5
200	P	34.8	Very low	29.3	Very low	122 Å²	122	129.9 Å²	129.9	79%	0.792	76%	0.757	S	S	*	*				-150.7	-174.4	75.8	40.5	-20	0	0	0	116.5
201	L	33.3	Very low	29.4	Very low	164 Å²	164	133 Å²	133	86%	0.859	75%	0.751	S	S	*	*			trans	-84.6	163.6	170.4	-66.8	166.6	0	0	0	112.3
202	P	33.4	Very low	29.7	Very low	119 Å²	119	133.5 Å²	133.5	77%	0.773	74%	0.743	S	S	*	*				-150.3	154.1	108.3	38.2	-21.4	0	0	0	118.9
203	L	26.7	Very low	30	Very low	148 Å²	148	136.7 Å²	136.7	78%	0.775	74%	0.741	S	S	*	*			trans	19.1	132.6	151.1	-83.4	74.4	0	0	0	125.8
204	N	26.1	Very low	30.2	Very low	148 Å²	148	134.5 Å²	134.5	79%	0.791	73%	0.728	S	S	*	*				65.3	133.5	126.8	-67.8	7.4	0	0	0	125.8
205	G	25.7	Very low	30.2	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	74%	0.737	S	S	*	*			trans	96	155	137.1	0	0	0	0	0	116.5
206	F	28.1	Very low	30.4	Very low	186 Å²	186	136.5 Å²	136.5	82%	0.816	73%	0.727	S	S	*	*			cis	-133.4	150.6	-4	-97.8	-110.9	0	0	0	107.4
207	L	28.5	Very low	29.9	Very low	136 Å²	136	137.6 Å²	137.6	71%	0.712	72%	0.724	S	S	*	*				63.1	151.1	65.5	-81.3	-172.5	0	0	0	115.3
208	V	30	Very low	30.5	Very low	107 Å²	107	140.8 Å²	140.8	65%	0.648	73%	0.733	S	S	*	*			cis	-107	-102.1	-9.1	-165.4	0	0	0	0	109.1
209	D	27.3	Very low	30.8	Very low	118 Å²	118	136.2 Å²	136.2	63%	0.631	72%	0.724	S	S	*	*			cis	-151	148.1	-47.3	-115.3	-28.9	0	0	0	104.1
210	D	31.3	Very low	30.9	Very low	102 Å²	102	136.2 Å²	136.2	55%	0.545	72%	0.724	S	S	.	*			cis	78.5	133	15.2	-149.9	-31.2	0	0	0	116	L212 R213	D210-L212 WeakPolarHBondContact OD1-CG 3.34Å; D210-L212 PolarHBondContact OD1-N 2.81Å; D210-R213 IonicContact OD1-NH1 3.6Å
211	E	28.2	Very low	30.6	Very low	145 Å²	145	138.4 Å²	138.4	68%	0.678	72%	0.724	S	S	*	*			trans	-164.9	88.3	154.5	-107.2	-65.9	81.4	0	0	108.7	R213	E211-R213 WeakPolarHBondContact OE1-CD 3.43Å; E211-R213 IonicContact OE1-CZ 4Å; E211-R213 IonicContact OE1-NE 3.73Å; E211-R213 PolarHBondContact OE1-NE 3.43Å; E211-R213 IonicContact OE1-NH1 3.62Å; E211-R213 PolarHBondContact OE1-NH1 2.81Å; E211-R213 IonicContact OE1-NH2 2.7Å
212	L	35	Very low	30.4	Very low	128 Å²	128	137.2 Å²	137.2	67%	0.67	72%	0.718	S	S	*	*			trans	-61.6	-155.9	159.1	-69.9	147.3	0	0	0	112.6	D210	D210-L212 WeakPolarHBondContact OD1-CG 3.34Å; D210-L212 PolarHBondContact OD1-N 2.81Å
213	R	37	Very low	30	Very low	161 Å²	161	135.3 Å²	135.3	61%	0.608	71%	0.707	S	S	*	*			trans	91.3	146	158.8	-55.4	144	-179.1	89.3	-9.5	115.1	D210 E211	D210-R213 IonicContact OD1-NH1 3.6Å; E211-R213 WeakPolarHBondContact OE1-CD 3.43Å; E211-R213 IonicContact OE1-CZ 4Å; E211-R213 IonicContact OE1-NE 3.73Å; E211-R213 PolarHBondContact OE1-NE 3.43Å; E211-R213 IonicContact OE1-NH1 3.62Å; E211-R213 PolarHBondContact OE1-NH1 2.81Å; E211-R213 IonicContact OE1-NH2 2.7Å
214	E	33	Very low	30.1	Very low	109 Å²	109	138.4 Å²	138.4	51%	0.509	71%	0.709	S	S	.	*			cis	-166	169.7	-30.9	-152.6	-169.5	-115.2	0	0	109.1	R216	E214-R216 IonicContact OE1-CZ 2.67Å; E214-R216 IonicContact OE1-NE 2.63Å; E214-R216 IonicContact OE1-NH1 3.04Å; E214-R216 PolarHBondContact OE1-NH1 2.74Å; E214-R216 IonicContact OE1-NH2 2.67Å; E214-R216 WeakPolarHBondContact OE2-CB 3.47Å; E214-R216 WeakPolarHBondContact OE2-CD 3.44Å; E214-R216 WeakPolarHBondContact OE2-CG 3.17Å; E214-R216 IonicContact OE2-CZ 3.54Å; E214-R216 VanDerWaalsContact OE2-CZ 3.3Å; E214-R216 IonicContact OE2-NE 3.74Å; E214-R216 PolarHBondContact OE2-NE 2.6Å; E214-R216 IonicContact OE2-NH1 3.5Å; E214-R216 PolarHBondContact OE2-NH1 2.67Å
215	M	24	Very low	30	Very low	196 Å²	196	135.7 Å²	135.7	97%	0.966	71%	0.706	S	S	*	*			trans	-155.1	161.9	131.5	-114.1	-175.3	-170.4	0	0	113.4
216	R	29.8	Very low	30	Very low	178 Å²	178	137.5 Å²	137.5	67%	0.672	71%	0.708	S	S	*	*			trans	-149.7	144.9	-145.9	-132.7	-169.8	-161.1	117	-4.2	113.7	E214	E214-R216 IonicContact OE1-CZ 2.67Å; E214-R216 IonicContact OE1-NE 2.63Å; E214-R216 IonicContact OE1-NH1 3.04Å; E214-R216 PolarHBondContact OE1-NH1 2.74Å; E214-R216 IonicContact OE1-NH2 2.67Å; E214-R216 WeakPolarHBondContact OE2-CB 3.47Å; E214-R216 WeakPolarHBondContact OE2-CD 3.44Å; E214-R216 WeakPolarHBondContact OE2-CG 3.17Å; E214-R216 IonicContact OE2-CZ 3.54Å; E214-R216 VanDerWaalsContact OE2-CZ 3.3Å; E214-R216 IonicContact OE2-NE 3.74Å; E214-R216 PolarHBondContact OE2-NE 2.6Å; E214-R216 IonicContact OE2-NH1 3.5Å; E214-R216 PolarHBondContact OE2-NH1 2.67Å
217	M	32.8	Very low	29.8	Very low	143 Å²	143	133.3 Å²	133.3	70%	0.704	71%	0.708	S	S	*	*			trans	48.7	171.9	145.3	-72.2	-176.7	168.2	0	0	120.5
218	P	38.1	Very low	29.8	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	72%	0.716	S	S	*	*				-135.4	172.9	89.4	37.5	-23.5	0	0	0	114.6
219	L	34.8	Very low	30.3	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	72%	0.723	S	S	*	*			trans	-155.9	163.4	-179.3	-124.6	-178.8	0	0	0	112.3
220	S	31.6	Very low	30.4	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	73%	0.73	S	S	*	*			trans	-172.9	147.2	-178.2	46.9	0	0	0	0	108.7
221	E	27.9	Very low	30	Very low	169 Å²	169	141.5 Å²	141.5	79%	0.79	73%	0.733	S	S	*	*			cis	-141.8	-161.1	-12.3	-55.2	-163	136.1	0	0	107.7
222	L	28.4	Very low	29.9	Very low	139 Å²	139	143.8 Å²	143.8	73%	0.728	74%	0.736	S	S	*	*			cis	-147.6	-90.7	-3.6	-173.9	54.1	0	0	0	112.2
223	S	26	Very low	29.4	Very low	79 Å²	79	144.3 Å²	144.3	55%	0.552	74%	0.738	S	S	*	*			trans	-166.1	167.3	-173.9	62.5	0	0	0	0	109.7
224	R	28.1	Very low	29	Very low	213 Å²	213	144.2 Å²	144.2	80%	0.804	75%	0.748	S	S	*	*			cis	-173.9	139.1	43.7	-173	174.5	-66.7	145.7	0.7	113.7
225	A	24.6	Very low	29.8	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	76%	0.76	S	S	*	*			trans	61.2	162.3	153.3	0	0	0	0	0	121.2
226	S	25.1	Very low	29.8	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	76%	0.757	S	S	*	*			cis	-176.1	161.6	-35.8	60.4	0	0	0	0	112.3
227	A	25.1	Very low	29.5	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	76%	0.76	S	S	*	*			trans	95.7	147.5	153.3	0	0	0	0	0	121.6
228	F	26.7	Very low	29.3	Very low	202 Å²	202	137.6 Å²	137.6	89%	0.886	76%	0.76	S	S	*	*			trans	-134.9	156.1	176.1	-99.1	-75.7	0	0	0	107.1
229	P	40.7	Very low	28.9	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	76%	0.757	S	S	*	*				-155.1	-175.9	98.2	40.2	-19.7	0	0	0	117.9
230	K	29.1	Very low	28.8	Very low	180 Å²	180	141.6 Å²	141.6	78%	0.783	77%	0.765	S	S	*	*			trans	-64	-179.3	177.6	-36.1	167.1	-175.6	172.4	0	112.9
231	E	24.7	Very low	28.5	Very low	130 Å²	130	140.1 Å²	140.1	61%	0.607	76%	0.759	S	S	*	*			cis	-166.9	-168.1	16.7	-136.8	166.2	-107.4	0	0	107.9
232	R	26.3	Very low	28.5	Very low	193 Å²	193	139.8 Å²	139.8	73%	0.728	76%	0.761	S	S	*	*			cis	-162.4	124.4	-0.8	172.1	175.4	-71.4	-119.3	-0.4	112.2
233	I	24.2	Very low	29.3	Very low	139 Å²	139	137.7 Å²	137.7	71%	0.713	76%	0.756	S	S	*	*			trans	33.4	117	138.9	-58	176.4	0	0	0	123
234	L	28.2	Very low	29.5	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	76%	0.764	S	S	*	*			trans	58.9	175.9	143.2	-66.2	176.6	0	0	0	122.1
235	P	49.1	Very low	29.5	Very low	115 Å²	115	137 Å²	137	75%	0.747	76%	0.761	S	S	*	*			cis	-133.6	-176.6	-41	36	-18.8	0	0	0	114
236	C	23.7	Very low	29.6	Very low	135 Å²	135	141.7 Å²	141.7	91%	0.912	76%	0.761	S	S	*	*				172.8	-167.3	120.7	-144.8	0	0	0	0	113.6
237	D	25.1	Very low	29.9	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	75%	0.751	S	S	*	*			trans	-133.4	159.6	-144.2	-139.2	-43	0	0	0	118.2
238	S	27.9	Very low	30.2	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	76%	0.755	S	S	*	*			trans	24.4	136.7	154.1	-67.3	0	0	0	0	125.3
239	S	29.6	Very low	30.3	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	75%	0.752	S	S	*	*				168.1	146.9	117.3	51.4	0	0	0	0	118.4
240	R	32.2	Very low	29.7	Very low	250 Å²	250	145.8 Å²	145.8	94%	0.943	75%	0.752	S	S	*	*			trans	36.9	157.7	142.1	-70	-177.3	169.3	156.8	-3.1	123.6
241	A	26.7	Very low	29.7	Very low	71 Å²	71	142.6 Å²	142.6	59%	0.587	75%	0.748	S	S	*	*			cis	178.7	152.2	-20.7	0	0	0	0	0	114.2
242	I	27.9	Very low	29.9	Very low	162 Å²	162	143.3 Å²	143.3	83%	0.831	76%	0.756	S	S	*	*			trans	68.2	162.6	142.5	-70.6	167.1	0	0	0	118
243	P	45.2	Very low	30	Very low	96 Å²	96	142.1 Å²	142.1	62%	0.623	76%	0.762	S	S	*	*			cis	-128.9	-169.1	-13.7	38.1	-19.3	0	0	0	116.7
244	T	28.7	Very low	30.1	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	76%	0.764	S	S	*	*			trans	69.6	135.8	154.9	54.3	0	0	0	0	121.4
245	E	28.1	Very low	30.2	Very low	159 Å²	159	137.3 Å²	137.3	74%	0.743	76%	0.76	S	S	*	*			cis	-166.3	-157.6	-34.3	-122.2	163.6	92.6	0	0	109.4
246	Y	28.2	Very low	29.3	Very low	189 Å²	189	139.3 Å²	139.3	74%	0.741	76%	0.764	S	S	*	*			cis	-153.1	-86.1	18.3	-166.6	-142.1	0	0	0	115.1
247	T	29.4	Very low	29.7	Very low	92 Å²	92	140.1 Å²	140.1	56%	0.564	76%	0.756	S	S	*	*			trans	-152.2	151.7	-158.5	50.4	0	0	0	0	115.2
248	R	32.7	Very low	29.8	Very low	235 Å²	235	139.7 Å²	139.7	89%	0.887	76%	0.763	S	S	*	*			cis	-164.7	-169.8	-15.3	-119.7	175.4	-170.8	-120.4	0.3	109.5
249	T	28.4	Very low	29.8	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	77%	0.765	S	S	*	*			trans	-126	161	-175.9	50.6	0	0	0	0	113.8
250	I	27.4	Very low	29.5	Very low	156 Å²	156	143.1 Å²	143.1	80%	0.8	76%	0.764	S	S	*	*			trans	-132.3	112.5	165.4	-80.3	-177.9	0	0	0	109.9
251	T	30.3	Very low	29.2	Very low	113 Å²	113	136.5 Å²	136.5	69%	0.693	75%	0.751	S	S	*	*			trans	43.6	144.2	148.1	65.8	0	0	0	0	122.5
252	D	27.9	Very low	29.3	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	76%	0.755	S	S	*	*			cis	-177.3	-172.1	-23.3	-115.8	-53.9	0	0	0	109.3
253	I	29.8	Very low	29.4	Very low	168 Å²	168	142 Å²	142	86%	0.862	76%	0.756	S	S	*	*			trans	85.8	151.6	165.3	-54.1	175.5	0	0	0	116.2
254	S	25.3	Very low	28.7	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	76%	0.76	S	S	*	*			trans	-130.3	156.3	-156.2	55.4	0	0	0	0	116.4
255	A	29.4	Very low	29.1	Very low	90 Å²	90	141.1 Å²	141.1	74%	0.744	76%	0.76	S	S	*	*			trans	17.3	126.6	155.6	0	0	0	0	0	121.6
256	N	31	Very low	29.1	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	76%	0.763	S	S	*	*				-163.1	178	109.9	-124.9	-37.5	0	0	0	115.8
257	M	32.3	Very low	29	Very low	151 Å²	151	142 Å²	142	74%	0.744	77%	0.768	S	S	*	*			trans	-67.5	164.6	179	-54.5	165.5	60	0	0	114.9
258	C	26.8	Very low	28.8	Very low	129 Å²	129	142.5 Å²	142.5	87%	0.872	78%	0.782	S	S	*	*				-178.6	171.9	117.2	-101.5	0	0	0	0	115.8
259	H	27.8	Very low	28.4	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.745	78%	0.775	S	S	*	*			trans	-97.1	-177.6	-177.6	-87.7	-114.8	0	0	0	113.4
260	T	23.5	Very low	28.3	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	77%	0.772	S	S	*	*			trans	76.7	164.9	143	28.3	0	0	0	0	118.4
261	T	27.3	Very low	28.2	Very low	110 Å²	110	134.7 Å²	134.7	68%	0.675	77%	0.774	S	S	*	*			cis	-157.2	158.9	10.4	1.6	0	0	0	0	112.6
262	I	28.7	Very low	28.1	Very low	132 Å²	132	137.2 Å²	137.2	68%	0.677	78%	0.777	S	S	*	*			trans	35.7	122.4	145.6	-44.4	154.7	0	0	0	120.7
263	Y	29.4	Very low	28.2	Very low	216 Å²	216	133.9 Å²	133.9	85%	0.847	77%	0.77	S	S	*	*				178.8	146.2	108	-109.9	-73.9	0	0	0	114
264	A	29.4	Very low	28.1	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	77%	0.774	S	S	*	*			trans	-135.3	140.4	157.7	0	0	0	0	0	107.3
265	P	38.3	Very low	28.3	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	77%	0.771	S	S	*	*				-155.2	-175.4	107.9	38.1	-18.7	0	0	0	115.9
266	K	27.2	Very low	28.3	Very low	183 Å²	183	140 Å²	140	80%	0.796	77%	0.773	S	S	*	*			trans	85.9	95.2	161.7	-63.5	-172.1	175	-172.4	0	120.1
267	E	27.6	Very low	28.3	Very low	184 Å²	184	141.7 Å²	141.7	86%	0.86	78%	0.778	S	S	*	*				31.3	144	109.7	-58.6	179.9	133.6	0	0	122.4
268	A	25.3	Very low	28.3	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	78%	0.776	S	S	*	*			trans	71.4	154.7	160.1	0	0	0	0	0	118.1
269	A	24.1	Very low	28.3	Very low	90 Å²	90	145.8 Å²	145.8	74%	0.744	77%	0.774	S	S	*	*			cis	-172.9	167.6	-27.3	0	0	0	0	0	108.2
270	A	24.9	Very low	28.5	Very low	91 Å²	91	142.1 Å²	142.1	75%	0.752	77%	0.767	S	S	*	*			trans	66.1	144.4	178.4	0	0	0	0	0	114.4
271	E	24.9	Very low	28.8	Very low	179 Å²	179	142.9 Å²	142.9	84%	0.836	77%	0.771	S	S	*	*				68.8	135.5	51.7	-51.2	-119.3	114.9	0	0	112
272	E	28.7	Very low	28.8	Very low	165 Å²	165	141.4 Å²	141.4	77%	0.771	77%	0.77	S	S	*	*			cis	-158.6	171.8	15.4	-144.3	-161.1	146.6	0	0	114.4
273	A	30.9	Very low	28.6	Very low	75 Å²	75	140.4 Å²	140.4	62%	0.62	78%	0.775	S	S	*	*			trans	60.9	111.9	141.5	0	0	0	0	0	124.1
274	R	27.9	Very low	28.6	Very low	249 Å²	249	133.5 Å²	133.5	94%	0.94	77%	0.769	S	S	*	*				179.4	140.1	128	-98.5	171.8	178.1	174.2	0.7	108.9
275	S	29.2	Very low	29.1	Very low	99 Å²	99	135 Å²	135	69%	0.692	77%	0.771	S	S	*	*			cis	-163.4	142.7	-8	47.3	0	0	0	0	111.1
276	D	28.5	Very low	28.7	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	78%	0.778	S	S	*	*			trans	19.6	127.7	158.6	-50.4	-44.2	0	0	0	123.1
277	M	30.5	Very low	29.4	Very low	193 Å²	193	135.8 Å²	135.8	95%	0.951	78%	0.775	S	S	*	*				-157.5	163.7	106.5	-133	-162.2	170.3	0	0	113.5
278	H	32.2	Very low	29.3	Very low	151 Å²	151	133.6 Å²	133.6	70%	0.699	77%	0.774	S	S	*	*			trans	-100.8	145.7	-165.9	-71.6	-95.9	0	0	0	116
279	Y	27.5	Very low	29.3	Very low	214 Å²	214	134.8 Å²	134.8	84%	0.839	77%	0.771	S	S	*	*				-176.6	108.5	102.7	-130.6	-111.1	0	0	0	109.4
280	S	31.7	Very low	30.1	Very low	84 Å²	84	136.1 Å²	136.1	59%	0.587	77%	0.772	S	S	*	*				62.4	136.2	90.6	-51.9	0	0	0	0	114.9
281	V	29.9	Very low	30.1	Very low	139 Å²	139	136.7 Å²	136.7	84%	0.842	77%	0.77	S	S	*	*			cis	-169	166.5	-14.8	77.3	0	0	0	0	105.3
282	A	27.8	Very low	30.2	Very low	80 Å²	80	134 Å²	134	66%	0.661	77%	0.766	S	S	*	*			cis	-148.7	163.8	16	0	0	0	0	0	107.7
283	S	25.3	Very low	30.2	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	77%	0.769	S	S	*	*			cis	87.3	110.8	25	80.1	0	0	0	0	117.4
284	G	28.5	Very low	30	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	77%	0.773	S	S	*	*			trans	-80.3	-158.8	173.9	0	0	0	0	0	114.3
285	P	39.4	Very low	29.9	Very low	117 Å²	117	134 Å²	134	76%	0.76	76%	0.763	S	S	*	*				-165	-175.2	74.3	45.6	-24.4	0	0	0	119.9
286	K	30.3	Very low	29.9	Very low	198 Å²	198	133.9 Å²	133.9	86%	0.861	76%	0.762	S	S	*	*			trans	81	161	147.2	-82.3	172.3	179.5	179.6	0	121.6
287	P	42.1	Very low	29.8	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	76%	0.761	S	S	*	*			trans	-132.7	174.2	-147.6	45.4	-30.8	0	0	0	117.9
288	V	25.7	Very low	29.7	Very low	139 Å²	139	135 Å²	135	84%	0.842	75%	0.751	S	S	*	*			trans	-143.4	154.5	160.5	-177.5	0	0	0	0	110.7
289	V	25.7	Very low	29.2	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	75%	0.752	S	S	*	*			trans	-137.7	135.8	178.1	175.5	0	0	0	0	105.5
290	P	41.3	Very low	29	Very low	118 Å²	118	128.3 Å²	128.3	77%	0.766	75%	0.751	S	S	*	*				-154.5	174.5	63.2	41.5	-20.2	0	0	0	120
291	S	25.1	Very low	28.6	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	76%	0.757	S	S	*	*			trans	116.7	97.1	130.2	-144.5	0	0	0	0	121.3
292	V	26.7	Very low	28.5	Very low	123 Å²	123	132.5 Å²	132.5	75%	0.745	75%	0.754	S	S	*	*				70.1	128	125	178.9	0	0	0	0	122.7
293	R	28.3	Very low	28.4	Very low	218 Å²	218	135 Å²	135	82%	0.823	76%	0.761	S	S	*	*			trans	87.9	102.9	152.9	-90.7	174.3	-179.7	-175.7	0.9	122.7
294	N	26.1	Very low	28.4	Very low	133 Å²	133	134 Å²	134	71%	0.711	76%	0.759	S	S	*	*				59.4	127.6	115.1	-69.8	27.9	0	0	0	123.6
295	N	26.5	Very low	28.3	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	76%	0.759	S	S	*	*				87.8	121.6	128.8	-83.9	18.1	0	0	0	122.5
296	S	28	Very low	27.5	Very low	95 Å²	95	140 Å²	140	66%	0.664	76%	0.755	S	S	*	*				92.4	122.7	121.1	-69.1	0	0	0	0	122.4
297	Y	27.9	Very low	27.3	Very low	194 Å²	194	138.6 Å²	138.6	76%	0.761	75%	0.752	S	S	*	*			trans	82.8	158.3	131.4	-104.1	-96.8	0	0	0	122.1
298	F	27.1	Very low	26.6	Very low	169 Å²	169	140 Å²	140	74%	0.741	75%	0.748	S	S	*	*			trans	65.3	133.7	174.4	-60.8	-74	0	0	0	116.2
299	S	23.3	Very low	26.6	Very low	103 Å²	103	142.1 Å²	142.1	72%	0.72	74%	0.741	S	S	*	*			cis	83.9	154.5	15.1	-39.1	0	0	0	0	117
300	C	21.7	Very low	26.5	Very low	122 Å²	122	142.4 Å²	142.4	82%	0.824	74%	0.743	S	S	*	*			trans	80.3	121.1	-157	-62.3	0	0	0	0	113
301	D	24.2	Very low	25.7	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	74%	0.739	S	S	*	*			cis	83.3	137.2	22.4	-163.3	29.7	0	0	0	115.2
302	K	26.8	Very low	25.9	Very low	177 Å²	177	141 Å²	141	77%	0.77	74%	0.736	S	S	*	*			trans	71	158.2	178.1	-60.2	173.3	-170.7	176.2	0	117.8
303	V	26.4	Very low	26	Very low	133 Å²	133	143.5 Å²	143.5	81%	0.806	74%	0.74	S	S	*	*			cis	-178.6	149.2	-44.3	130.1	0	0	0	0	108.9
304	A	26.2	Very low	26	Very low	88 Å²	88	140 Å²	140	73%	0.727	74%	0.738	S	S	*	*			trans	66.6	120.4	162.7	0	0	0	0	0	121.7
305	K	24.8	Very low	26.4	Very low	171 Å²	171	141.6 Å²	141.6	74%	0.743	74%	0.741	S	S	*	*				-171.5	138.3	117.4	-97.2	-178.9	169.3	-75.9	0	107.7
306	E	23.1	Very low	26.6	Very low	143 Å²	143	140.9 Å²	140.9	67%	0.668	74%	0.736	S	S	*	*				59.6	130.4	78.4	-61.1	167.8	-176.4	0	0	111.3
307	E	27.2	Very low	26.7	Very low	169 Å²	169	141.3 Å²	141.3	79%	0.79	74%	0.739	S	S	*	*			cis	-163	164.1	23.9	-138.1	167	-172.9	0	0	112.9
308	E	25.7	Very low	26.9	Very low	142 Å²	142	141.2 Å²	141.2	66%	0.664	75%	0.745	S	S	*	*			trans	60	160.6	162.9	-69.7	-150.6	127.7	0	0	120.8
309	R	26.4	Very low	26.9	Very low	184 Å²	184	141.2 Å²	141.2	69%	0.694	75%	0.747	S	S	*	*			cis	-156.9	147.2	4.6	-141.2	171.2	169.9	116.1	0.2	113.9
310	T	24.1	Very low	27	Very low	133 Å²	133	145.8 Å²	145.8	82%	0.816	75%	0.754	S	S	*	*			trans	61.4	153.6	154.3	36.7	0	0	0	0	120.9
311	S	24.7	Very low	27.6	Very low	98 Å²	98	146.7 Å²	146.7	69%	0.685	75%	0.746	S	S	*	*			cis	-149.6	164	8.1	57.8	0	0	0	0	114.1
312	S	29	Very low	28.2	Very low	94 Å²	94	146.5 Å²	146.5	66%	0.657	75%	0.752	S	S	*	*			trans	55.7	122.7	155.8	53.5	0	0	0	0	118.9
313	E	28.9	Very low	28.2	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	74%	0.743	S	S	*	*			cis	67.7	133.3	47.2	-52.1	-176.7	128.2	0	0	111.6
314	D	27.6	Very low	28.3	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	74%	0.741	S	S	*	*			cis	-137.4	156.4	41.2	-67.9	-49.8	0	0	0	117.1
315	E	34	Very low	28.3	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	74%	0.737	S	S	*	*			trans	46	153	135.5	-63.6	-153.4	127.9	0	0	123.9
316	I	32.1	Very low	29.9	Very low	123 Å²	123	140.7 Å²	140.7	63%	0.631	74%	0.739	S	S	*	*			cis	-153.1	146.4	6.3	-133.6	165.8	0	0	0	113.2
317	S	28.7	Very low	30.3	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	75%	0.751	S	S	*	*			trans	50.2	151.3	153.4	-54.2	0	0	0	0	121.9
318	Q	32.3	Very low	30.6	Very low	192 Å²	192	138.8 Å²	138.8	90%	0.897	74%	0.738	S	S	*	*			cis	-142.5	154.1	25.6	-70.3	176.3	-11.1	0	0	113.7
319	H	28.2	Very low	30.8	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	75%	0.746	S	S	*	*			trans	-93.9	154.9	166.2	-88.6	-103.5	0	0	0	111.7
320	F	25.1	Very low	31.1	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.873	75%	0.748	S	S	*	*				174.9	159.7	101.5	-105.5	-79.1	0	0	0	114.2
321	E	33.9	Very low	31.2	Very low	141 Å²	141	139.1 Å²	139.1	66%	0.659	75%	0.746	S	S	*	*			trans	-77.1	-175	168.2	-56.8	-168.1	152.1	0	0	112.2	T323	E321-T323 PolarHBondContact OE2-OG1 2.79Å
322	P	36.5	Very low	31.4	Very low	130 Å²	130	142.3 Å²	142.3	84%	0.844	75%	0.754	S	S	*	*				-139	140	88.7	36	-21.7	0	0	0	117.2
323	T	27.6	Very low	31.3	Very low	93 Å²	93	145.2 Å²	145.2	57%	0.571	76%	0.761	S	S	*	*			trans	-57.6	164.3	162.5	-7.6	0	0	0	0	114.1	E321	E321-T323 PolarHBondContact OE2-OG1 2.79Å
324	N	27.3	Very low	31.4	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	76%	0.757	S	S	*	*				156.8	151.6	121.8	-84.9	-64.3	0	0	0	113
325	S	26.4	Very low	32.3	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	76%	0.756	S	S	*	*			cis	149	-175.8	-14.3	78.6	0	0	0	0	108.1
326	P	58.8	Low	32	Very low	120 Å²	120	141.9 Å²	141.9	78%	0.779	76%	0.762	S	S	*	*			trans	-135.6	-146.2	-131.9	40.7	-15.8	0	0	0	115.7
327	L	32.1	Very low	31.9	Very low	176 Å²	176	141.5 Å²	141.5	92%	0.921	77%	0.77	S	S	*	*			trans	-157.4	178.4	171.4	-118.8	173.4	0	0	0	113.4
328	D	32.6	Very low	32.5	Very low	96 Å²	96	141.9 Å²	141.9	51%	0.513	77%	0.77	S	S	.	*			trans	-118	145.5	-178.5	165.6	55.4	0	0	0	112.8	K330	D328-K330 PolarHBondContact OD1-N 3.02Å; D328-K330 WeakPolarHBondContact OD2-CE 3.26Å
329	R	30.4	Very low	32.3	Very low	221 Å²	221	141 Å²	141	83%	0.834	77%	0.766	S	S	*	*				-174.8	104.7	123.6	-98.9	172.2	-172.6	-159.1	0.9	117
330	K	33	Very low	32.1	Very low	170 Å²	170	142.5 Å²	142.5	74%	0.739	77%	0.771	S	S	*	*				42.5	124.9	126.1	-55.7	179.2	-174	-174	0	121.3	D328	D328-K330 PolarHBondContact OD1-N 3.02Å; D328-K330 WeakPolarHBondContact OD2-CE 3.26Å
331	G	25.8	Very low	32.2	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	76%	0.762	S	S	*	*			trans	-113.7	-159	170.4	0	0	0	0	0	114.5
332	L	30.2	Very low	31.8	Very low	165 Å²	165	138 Å²	138	86%	0.864	77%	0.768	S	S	*	*			trans	-170.8	150.9	168.9	-104.7	167.6	0	0	0	114.6
333	I	26.8	Very low	31.3	Very low	155 Å²	155	137.6 Å²	137.6	80%	0.795	77%	0.767	S	S	*	*			trans	77.4	145.4	154.3	-64.1	159.5	0	0	0	120.8
334	S	29.9	Very low	31.5	Very low	105 Å²	105	142 Å²	142	73%	0.734	78%	0.781	S	S	*	*			trans	-146	159.3	171.2	174.5	0	0	0	0	108.7
335	P	46.1	Very low	32.3	Very low	117 Å²	117	140.6 Å²	140.6	76%	0.76	78%	0.779	S	S	*	*				-146.9	152.1	123.5	36.8	-21.1	0	0	0	118.2
336	Q	28.2	Very low	32.2	Very low	194 Å²	194	143.1 Å²	143.1	91%	0.907	79%	0.786	S	S	*	*			trans	-0.4	154.8	154.2	-66.2	170.9	-15.3	0	0	124.1
337	S	29.4	Very low	30.8	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	78%	0.778	S	S	*	*			trans	-85.7	-177.7	175.6	-37.4	0	0	0	0	114.5
338	P	41.8	Very low	31.1	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	77%	0.766	S	S	*	*				-146.6	145	114.8	36.3	-21.2	0	0	0	117.7
339	Q	27.3	Very low	30.7	Very low	173 Å²	173	139 Å²	139	81%	0.808	78%	0.775	S	S	*	*			trans	63.4	131.9	142.1	-62.6	-177	25.1	0	0	119.4
340	K	25.5	Very low	30.3	Very low	202 Å²	202	136.7 Å²	136.7	88%	0.878	77%	0.774	S	S	*	*				65.4	137.5	65.5	-67.8	-174.4	176.9	-175.4	0	112.9
341	S	27.4	Very low	30	Very low	98 Å²	98	134 Å²	134	69%	0.685	78%	0.777	S	S	*	*			cis	-135.2	-179.7	6	50.2	0	0	0	0	111.4
342	D	25.5	Very low	29.9	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	78%	0.781	S	S	*	*				-154.1	160	71.1	-83.5	-17.3	0	0	0	116.7
343	C	26.2	Very low	29.7	Very low	120 Å²	120	133.9 Å²	133.9	81%	0.811	78%	0.778	S	S	*	*			trans	-32.7	123.4	-176.4	-59.6	0	0	0	0	121.1
344	Q	30.5	Very low	29.8	Very low	185 Å²	185	131.8 Å²	131.8	86%	0.864	78%	0.777	S	S	*	*				-71.1	161.9	127.1	-93.3	-169.2	-23.3	0	0	109.8
345	P	44.5	Very low	29.8	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	77%	0.767	S	S	*	*			cis	-131.9	-164.4	39.8	42.4	-22.7	0	0	0	112.8
346	N	24.6	Very low	28.8	Very low	146 Å²	146	134.4 Å²	134.4	78%	0.781	77%	0.77	S	S	*	*			cis	-150.6	-177.8	11.4	-155.9	6.1	0	0	0	114.1
347	S	28.6	Very low	28.8	Very low	88 Å²	88	129.4 Å²	129.4	62%	0.615	76%	0.762	S	S	*	*			trans	-115.1	-179.2	168.8	71.2	0	0	0	0	108.8
348	P	38.9	Very low	28.7	Very low	104 Å²	104	134.9 Å²	134.9	68%	0.675	77%	0.765	S	S	*	*			cis	-145.3	-157	21.9	42.1	-18.9	0	0	0	116.1
349	T	23.1	Very low	27.9	Very low	114 Å²	114	136 Å²	136	70%	0.699	76%	0.763	S	S	*	*			trans	76	121.2	153.5	42.4	0	0	0	0	121.5
350	E	22.4	Very low	27.9	Very low	172 Å²	172	133 Å²	133	80%	0.804	76%	0.762	S	S	*	*			trans	69.9	94.4	130.1	-62.7	-171.4	159.1	0	0	121.8
351	S	27.5	Very low	28.3	Very low	115 Å²	115	131.7 Å²	131.7	80%	0.804	76%	0.759	S	S	*	*				42.1	106.7	122.3	58.2	0	0	0	0	120.4
352	S	23.5	Very low	28.2	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	77%	0.767	S	S	*	*			trans	-146.9	159.8	149	72.1	0	0	0	0	109
353	S	26.5	Very low	28.4	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	77%	0.769	S	S	*	*			cis	-144.6	173	-3.7	-159.5	0	0	0	0	112.3
354	S	27.3	Very low	28.4	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	77%	0.765	S	S	*	*			trans	-67.4	170.1	-170.6	-62.5	0	0	0	0	117.1
355	K	30.4	Very low	28.2	Very low	120 Å²	120	126.7 Å²	126.7	52%	0.522	76%	0.757	S	S	.	*			trans	-47.4	152.4	159.4	-48.4	170.5	177.1	-178.1	0	112.2	D373	K355-D373 IonicContact NZ-OD1 2.69Å; K355-D373 PolarHBondContact NZ-OD1 3.04Å; K355-D373 IonicContact NZ-OD2 3.97Å; K355-D373 PolarHBondContact NZ-OD2 3.04Å
356	N	26.2	Very low	27.5	Very low	157 Å²	157	129.2 Å²	129.2	84%	0.84	76%	0.764	S	S	*	*				-167.5	-179.9	103.9	-97.5	-31	0	0	0	112.1
357	A	27.6	Very low	27.6	Very low	89 Å²	89	128.6 Å²	128.6	74%	0.736	77%	0.765	S	S	*	*			trans	-140.6	-174.7	-164.9	0	0	0	0	0	112.4
358	R	26.3	Very low	27.5	Very low	229 Å²	229	129.6 Å²	129.6	86%	0.864	77%	0.767	S	S	*	*			trans	78.3	154.3	171.4	-70.5	-166	174.8	-166.5	-0.5	116.7
359	I	26.7	Very low	26.9	Very low	134 Å²	134	134.1 Å²	134.1	69%	0.687	78%	0.777	S	S	*	*			cis	-163.4	154.1	-33.3	-126.9	172.5	0	0	0	109
360	S	26.1	Very low	26.9	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	78%	0.781	S	S	*	*			trans	55.3	168	161.9	67.5	0	0	0	0	121.3
361	Q	34.3	Very low	27.9	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	78%	0.777	S	S	*	*			trans	-80.9	177.2	175.9	-62	165.5	-45.4	0	0	112.2
362	S	25.3	Very low	27.8	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	78%	0.778	S	S	*	*			trans	69.9	147.4	160.7	75.1	0	0	0	0	119
363	S	29	Very low	27.9	Very low	119 Å²	119	131.5 Å²	131.5	83%	0.832	77%	0.765	S	S	*	*			trans	-113.5	100.8	-171.4	53.2	0	0	0	0	111.8
364	S	26.8	Very low	29.2	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	75%	0.753	S	S	*	*			trans	-161.1	106.6	159.5	56.9	0	0	0	0	113.6
365	S	27.5	Very low	29.1	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	76%	0.758	S	S	*	*			trans	57.8	111.5	146.9	58.4	0	0	0	0	123.4
366	L	28.4	Very low	29.1	Very low	167 Å²	167	133.5 Å²	133.5	87%	0.874	77%	0.773	S	S	*	*				85.1	135.9	126.9	-64.8	169.3	0	0	0	123.1
367	V	27.3	Very low	29.1	Very low	132 Å²	132	132 Å²	132	80%	0.8	77%	0.774	S	S	*	*			trans	80.9	151	158.5	171.1	0	0	0	0	119.5
368	T	26.5	Very low	29	Very low	109 Å²	109	134.2 Å²	134.2	67%	0.669	77%	0.773	S	S	*	*				-154.4	160.4	-75.7	51.6	0	0	0	0	112.6
369	K	27	Very low	28.9	Very low	200 Å²	200	135.4 Å²	135.4	87%	0.87	78%	0.778	S	S	*	*			trans	76.5	158.7	156.8	-71.2	166.8	-177.6	-180	0	119.5
370	S	22.4	Very low	28.9	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	78%	0.783	S	S	*	*			trans	-165.1	-166.9	-153.8	58.4	0	0	0	0	111.4
371	P	43	Very low	28.9	Very low	109 Å²	109	141.6 Å²	141.6	71%	0.708	79%	0.785	S	S	*	*			cis	-126.8	-178.7	-23.6	32.2	-10.5	0	0	0	114
372	T	25.6	Very low	28.4	Very low	136 Å²	136	144.2 Å²	144.2	83%	0.834	79%	0.789	S	S	*	*				170.4	149.7	90.4	-52.7	0	0	0	0	112.3
373	D	26.1	Very low	28.3	Very low	110 Å²	110	146.7 Å²	146.7	59%	0.588	79%	0.785	S	S	*	*			trans	-156.8	176.6	177.1	120	118.6	0	0	0	110.6	K355	K355-D373 IonicContact NZ-OD1 2.69Å; K355-D373 PolarHBondContact NZ-OD1 3.04Å; K355-D373 IonicContact NZ-OD2 3.97Å; K355-D373 PolarHBondContact NZ-OD2 3.04Å
374	P	52.8	Low	28	Very low	84 Å²	84	150.9 Å²	150.9	55%	0.545	79%	0.789	S	S	.	*			cis	-135.9	-174.4	12.8	45.8	-30.3	0	0	0	118.5
375	K	26.9	Very low	27.8	Very low	201 Å²	201	152.5 Å²	152.5	87%	0.874	79%	0.788	S	S	*	*				-176.8	121.6	128.1	-105.2	175.1	-176.4	178.3	0	118.3
376	A	28.4	Very low	27.6	Very low	101 Å²	101	154 Å²	154	84%	0.835	79%	0.792	S	S	*	*			trans	53.2	153.9	151.7	0	0	0	0	0	122.2
377	C	27.2	Very low	27.4	Very low	127 Å²	127	153.6 Å²	153.6	86%	0.858	79%	0.79	S	S	*	*			cis	-147.9	-172.2	2.4	-151.1	0	0	0	0	113.8
378	N	25.4	Very low	27.4	Very low	135 Å²	135	153.6 Å²	153.6	72%	0.722	79%	0.786	S	S	*	*			trans	-105.2	155	-162.2	-85.7	-84.2	0	0	0	117.7
379	W	23.8	Very low	27.3	Very low	254 Å²	254	153.7 Å²	153.7	96%	0.962	79%	0.791	S	S	*	*				-148.9	155.1	129.7	47.8	-72.8	0	0	0	111.6
380	K	28	Very low	27.4	Very low	186 Å²	186	150.4 Å²	150.4	81%	0.809	78%	0.782	S	S	*	*			trans	-97.9	158.2	-164.1	-77.3	-175.9	177	178.7	0	114.6
381	K	25.1	Very low	27.6	Very low	188 Å²	188	153 Å²	153	82%	0.817	79%	0.787	S	S	*	*			trans	-121	139	-171.9	179.6	178.6	-175.1	173	0	110.2
382	Y	23.6	Very low	27	Very low	229 Å²	229	155.5 Å²	155.5	90%	0.898	79%	0.789	S	S	*	*			trans	-124.6	158.4	163.1	-85	-70.2	0	0	0	110.9
383	K	23.2	Very low	26.9	Very low	175 Å²	175	153.9 Å²	153.9	76%	0.761	78%	0.784	S	S	*	*			trans	-133.5	124.4	-156.9	174.9	-171.6	178.2	-171.8	0	108.7
384	F	22.4	Very low	26.9	Very low	208 Å²	208	154.2 Å²	154.2	91%	0.912	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.9	145.6	166.7	-81.2	-82.4	0	0	0	110.5
385	I	23.1	Very low	25.6	Very low	137 Å²	137	158.9 Å²	158.9	70%	0.703	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-102.1	130.9	176.1	-65.3	171.6	0	0	0	107	L387	I385-L387 HydrophobicContact CG2-CG 4.48Å
386	V	24.5	Very low	25.5	Very low	132 Å²	132	156 Å²	156	80%	0.8	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.4	123.6	166.4	178.3	0	0	0	0	107.4	N388	V386-N388 HydrophobicContact CG1-CB 4.49Å
387	L	23.7	Very low	25.2	Very low	158 Å²	158	157.2 Å²	157.2	83%	0.827	78%	0.783	S	S	*	*			trans	-105.9	131.2	160.5	-80.4	168.5	0	0	0	107.6	I385	I385-L387 HydrophobicContact CG2-CG 4.48Å
388	N	26.6	Very low	25	Very low	133 Å²	133	156.6 Å²	156.6	71%	0.711	78%	0.781	S	S	*	*			trans	-143.5	124.4	175.6	-173.2	15.2	0	0	0	107.8	V386	V386-N388 HydrophobicContact CG1-CB 4.49Å
389	S	24.8	Very low	25	Very low	111 Å²	111	154.3 Å²	154.3	78%	0.776	78%	0.78	S	S	*	*			trans	-142.5	95.2	-173.9	-60.1	0	0	0	0	109.9
390	L	29.1	Very low	25.1	Very low	131 Å²	131	148.4 Å²	148.4	69%	0.686	77%	0.768	S	S	*	*			trans	-82.5	146.8	153.5	-88.4	80.2	0	0	0	108.5
391	N	25.9	Very low	25.1	Very low	168 Å²	168	146.6 Å²	146.6	90%	0.898	76%	0.762	S	S	*	*				-158.9	165.4	120.7	-103.5	-17.4	0	0	0	111.6
392	Q	30.3	Very low	25.1	Very low	162 Å²	162	143.4 Å²	143.4	76%	0.757	75%	0.754	S	S	*	*			trans	-114.1	164.7	-170.4	-58.1	166.3	-17.2	0	0	110.2
393	S	24.8	Very low	25.3	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	75%	0.746	S	S	*	*				161.4	164.2	103.2	58.2	0	0	0	0	115.7
394	T	25	Very low	25.4	Very low	116 Å²	116	139.9 Å²	139.9	71%	0.712	75%	0.751	S	S	*	*			trans	64.5	114.1	159.3	56.2	0	0	0	0	122.9
395	K	26.4	Very low	25.6	Very low	183 Å²	183	132.8 Å²	132.8	80%	0.796	74%	0.736	S	S	*	*				58.9	152.4	122.5	-67.7	-176.5	170.8	-165.1	0	120.1
396	Q	24.2	Very low	25.7	Very low	140 Å²	140	132.5 Å²	132.5	65%	0.654	74%	0.741	S	S	*	*			cis	-159.8	163	14.7	-132.5	168.5	-96.2	0	0	113.4
397	D	23.1	Very low	25.7	Very low	126 Å²	126	134.4 Å²	134.4	67%	0.674	75%	0.745	S	S	*	*			trans	64.9	152.6	149.3	-59	-27.4	0	0	0	127
398	S	22.5	Very low	25.6	Very low	115 Å²	115	131.7 Å²	131.7	80%	0.804	74%	0.74	S	S	*	*			trans	65.2	124.7	171.1	34.2	0	0	0	0	118.1
399	A	25.4	Very low	26.7	Very low	87 Å²	87	129.8 Å²	129.8	72%	0.719	74%	0.735	S	S	*	*				77.4	134.4	59.8	0	0	0	0	0	112.2
400	D	25.1	Very low	26.7	Very low	130 Å²	130	132.5 Å²	132.5	70%	0.695	74%	0.735	S	S	*	*			cis	-152.9	160.7	22.8	-111	-56.3	0	0	0	112.9
401	Q	27.8	Very low	26.4	Very low	147 Å²	147	131.8 Å²	131.8	69%	0.687	74%	0.736	S	S	*	*			trans	47.6	151.7	141.9	-67.6	170	61.7	0	0	122.3
402	N	25.3	Very low	26.3	Very low	121 Å²	121	133.8 Å²	133.8	65%	0.647	73%	0.733	S	S	*	*			cis	-155.9	158.9	1.6	-108.7	-17.7	0	0	0	113.2
403	E	28	Very low	26.1	Very low	156 Å²	156	132.7 Å²	132.7	73%	0.729	73%	0.729	S	S	*	*			trans	24.9	124.4	144.9	-54.8	-156.9	136.5	0	0	121.9
404	M	25.9	Very low	27	Very low	175 Å²	175	132.5 Å²	132.5	86%	0.862	73%	0.726	S	S	*	*				84.8	134.5	84.1	-163.8	-175.1	-83.6	0	0	113.8
405	G	25.6	Very low	27.1	Very low	59 Å²	59	134.3 Å²	134.3	61%	0.608	73%	0.729	S	S	*	*			cis	178.5	177.7	-8.2	0	0	0	0	0	114
406	T	25.3	Very low	27.2	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	73%	0.726	S	S	*	*			trans	60.3	129.8	147.1	50.4	0	0	0	0	124.8
407	L	24.8	Very low	27.3	Very low	172 Å²	172	129.6 Å²	129.6	90%	0.901	73%	0.73	S	S	*	*			trans	93.9	152.7	139.2	-71.2	164.3	0	0	0	123.5
408	S	22.3	Very low	27.4	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	73%	0.733	S	S	*	*			trans	179.4	170.6	-175.4	-173	0	0	0	0	106.8
409	P	49	Very low	27.7	Very low	93 Å²	93	130.1 Å²	130.1	60%	0.604	73%	0.726	S	S	*	*			cis	-126.1	-176.7	-15.2	23.6	0.2	0	0	0	113.9
410	H	25.7	Very low	27.9	Very low	167 Å²	167	134 Å²	134	77%	0.773	73%	0.73	S	S	*	*				157.4	136.1	122.5	-90.4	-68	0	0	0	119.7
411	T	22.3	Very low	27.8	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	73%	0.727	S	S	*	*			trans	57.5	100.3	132.8	-44	0	0	0	0	125.4
412	Y	23.1	Very low	27.6	Very low	209 Å²	209	132.8 Å²	132.8	82%	0.82	73%	0.732	S	S	*	*				54.3	113.6	112.2	-126.6	-120	0	0	0	125.2
413	M	26.8	Very low	27.6	Very low	139 Å²	139	135.3 Å²	135.3	69%	0.685	74%	0.74	S	S	*	*				71.2	171.7	122.2	-80	-54.7	104.2	0	0	123.9
414	P	42.4	Very low	28.7	Very low	99 Å²	99	132.7 Å²	132.7	64%	0.643	74%	0.736	S	S	*	*			cis	-146.1	-164.5	-15.6	34.2	-9.9	0	0	0	118.4
415	I	27.9	Very low	28.6	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	74%	0.735	S	S	*	*			trans	83.4	138.8	154.9	-74.4	162.8	0	0	0	117.3
416	S	29.4	Very low	28.7	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	74%	0.74	S	S	*	*			cis	-151	-164.7	32.2	-13.9	0	0	0	0	112.9
417	T	25.8	Very low	28.8	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	74%	0.735	S	S	*	*			cis	-172.1	169.6	-46.3	38.8	0	0	0	0	111.9
418	C	25.6	Very low	28.8	Very low	110 Å²	110	136 Å²	136	74%	0.743	73%	0.728	S	S	*	*			trans	80.5	151.3	157.7	-69.2	0	0	0	0	122
419	Q	27.9	Very low	29.1	Very low	141 Å²	141	136.3 Å²	136.3	66%	0.659	73%	0.725	S	S	*	*			cis	-178.1	136.9	-15.5	172.1	171.4	-19.2	0	0	115.5
420	Q	29	Very low	28	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	74%	0.736	S	S	*	*			trans	62.5	163.8	154.8	-74.5	168.1	-17.5	0	0	122.3
421	S	24.6	Very low	28	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	73%	0.733	S	S	*	*			cis	-175.7	170	-26.3	-168.4	0	0	0	0	113.6
422	M	23.4	Very low	28.9	Very low	161 Å²	161	136.8 Å²	136.8	79%	0.793	73%	0.732	S	S	*	*			trans	87.8	108.1	157.1	-53.5	-51.1	-172.8	0	0	124.3
423	E	24.6	Very low	29	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	73%	0.73	S	S	*	*				24.5	168.3	117.4	-72.6	-148.5	120.1	0	0	125.2
424	P	51	Low	29	Very low	100 Å²	100	134.9 Å²	134.9	65%	0.649	74%	0.735	S	S	*	*			cis	-144.3	-144.8	-43.4	44.9	-24.9	0	0	0	114.1
425	E	24.5	Very low	28.2	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	75%	0.745	S	S	*	*			trans	98.2	148.1	171.3	-67	-161	-171.4	0	0	119.7
426	H	26.6	Very low	28	Very low	156 Å²	156	135.2 Å²	135.2	72%	0.722	74%	0.737	S	S	*	*			cis	-167.6	163.5	-43	-128.5	-82.1	0	0	0	111
427	L	27.9	Very low	27.9	Very low	133 Å²	133	137 Å²	137	70%	0.696	74%	0.743	S	S	*	*			trans	70	114.1	157.3	-70.4	165.6	0	0	0	120.1
428	N	25.6	Very low	27.9	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	74%	0.744	S	S	*	*				84.9	149	100.3	-92.7	5.8	0	0	0	117
429	V	27.9	Very low	27.9	Very low	107 Å²	107	134.6 Å²	134.6	65%	0.648	74%	0.744	S	S	*	*			cis	-165.7	174.9	-18.6	79.4	0	0	0	0	110.5
430	Q	25.7	Very low	27.9	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	75%	0.75	S	S	*	*			trans	75.3	123.1	161.9	-84.3	163	7	0	0	121.8
431	S	26.6	Very low	27.8	Very low	103 Å²	103	135 Å²	135	72%	0.72	75%	0.75	S	S	*	*			trans	-96.6	-171.5	150.3	62.9	0	0	0	0	108.3
432	P	40.5	Very low	27.9	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	76%	0.762	S	S	*	*			cis	-147.1	-173.6	13.9	35.8	-11.2	0	0	0	117.7
433	T	25.2	Very low	28.2	Very low	124 Å²	124	135 Å²	135	76%	0.761	76%	0.761	S	S	*	*			trans	132.9	142	132.7	-46.9	0	0	0	0	116.5
434	K	27.3	Very low	28.4	Very low	183 Å²	183	133.8 Å²	133.8	80%	0.796	76%	0.758	S	S	*	*			trans	-49.5	154.4	-179.3	-49.6	164	-178.4	173.7	0	116.1
435	M	25.1	Very low	27.5	Very low	172 Å²	172	135 Å²	135	85%	0.847	77%	0.766	S	S	*	*				-158.1	-179.3	117.5	-105.4	-76.1	82.7	0	0	111.2
436	S	24.3	Very low	27.7	Very low	89 Å²	89	135.4 Å²	135.4	62%	0.622	77%	0.768	S	S	*	*			trans	-136.2	154.5	-167.7	53.6	0	0	0	0	112.4
437	V	27.4	Very low	27.8	Very low	139 Å²	139	132.5 Å²	132.5	84%	0.842	77%	0.771	S	S	*	*			trans	169.6	161.5	138.7	149.5	0	0	0	0	110.5
438	S	24.8	Very low	27.9	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	77%	0.773	S	S	*	*			trans	-79	161.6	-180	49.5	0	0	0	0	115
439	G	26.5	Very low	28.1	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	78%	0.778	S	S	*	*			trans	-170.2	135.6	161.4	0	0	0	0	0	110.9
440	E	28	Very low	28	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	78%	0.781	S	S	*	*			trans	-95.7	175.8	-176	55.9	-98.8	72.9	0	0	115.3
441	D	25.3	Very low	28.1	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	78%	0.781	S	S	*	*			trans	61	129.5	167.1	-71.7	-12.9	0	0	0	120.9
442	S	28	Very low	28.2	Very low	128 Å²	128	138 Å²	138	90%	0.895	79%	0.786	S	S	*	*			trans	-159	104.1	164.2	-77.8	0	0	0	0	110
443	T	29.1	Very low	27.7	Very low	127 Å²	127	141.2 Å²	141.2	78%	0.779	80%	0.795	S	S	*	*			trans	-109.1	124.3	174.1	38.6	0	0	0	0	110.9
444	I	29.6	Very low	27.9	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	79%	0.792	S	S	*	*			trans	61.3	117.2	157	-51.3	164.2	0	0	0	117.5
445	P	32.3	Very low	27.9	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-98	137.8	147	33.9	-28	0	0	0	111.4
446	Q	28.2	Very low	28	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.874	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82.7	156.4	168.6	-67.6	-179.9	-71	0	0	111.3
447	A	27.6	Very low	28.1	Very low	95 Å²	95	142 Å²	142	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.7	158.6	176	0	0	0	0	0	112.9
448	S	31.6	Very low	28.3	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	79%	0.789	S	S	*	*				177	167.9	125.5	51.5	0	0	0	0	112.8
449	R	28.1	Very low	28.4	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	79%	0.792	S	S	*	*			trans	81.3	138.8	168.4	-54.7	-178.6	-178.7	-175.9	-0.9	117
450	L	27.1	Very low	28.2	Very low	137 Å²	137	144.6 Å²	144.6	72%	0.717	79%	0.794	S	S	*	*			cis	-172.1	143	-28.1	-123.6	171.2	0	0	0	108.4
451	N	27.8	Very low	28.2	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	80%	0.797	S	S	*	*			trans	176.5	149	132.9	-92.3	-18.6	0	0	0	112.3
452	N	28.8	Very low	29	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	79%	0.792	S	S	*	*			trans	-145.8	120.5	-178.7	-96.7	-28.9	0	0	0	110.6
453	I	29.3	Very low	28.9	Very low	175 Å²	175	145 Å²	145	90%	0.897	79%	0.79	S	S	*	*			trans	-154.5	142.7	164.7	-52.7	-178.4	0	0	0	107
454	V	30.7	Very low	28.7	Very low	112 Å²	112	144.3 Å²	144.3	68%	0.679	79%	0.79	S	S	*	*			cis	-170.9	141.4	-48.8	134.1	0	0	0	0	107.7
455	N	27.1	Very low	28.6	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	79%	0.788	S	S	*	*			trans	68.6	120.7	164.7	-68.4	-11.1	0	0	0	124.1
456	R	26.8	Very low	28.4	Very low	234 Å²	234	145.7 Å²	145.7	88%	0.883	79%	0.794	S	S	*	*				2.8	156.4	116.5	-76.6	-170.7	173.5	-179.7	-3.3	119.3
457	S	26.7	Very low	28.3	Very low	91 Å²	91	140.3 Å²	140.3	64%	0.636	79%	0.788	S	S	*	*			cis	-174.4	164.3	1.1	-108.6	0	0	0	0	113.6
458	L	30.6	Very low	28.3	Very low	146 Å²	146	145.3 Å²	145.3	76%	0.764	80%	0.796	S	S	*	*			trans	85.7	144.7	143.2	-79.6	163	0	0	0	124.1
459	D	26.3	Very low	28.1	Very low	154 Å²	154	145.8 Å²	145.8	82%	0.824	80%	0.799	S	S	*	*			trans	67.4	132.1	155.7	-60	-35.3	0	0	0	124.4
460	G	23.8	Very low	28.6	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	79%	0.792	S	S	*	*			trans	158.4	121.1	169.8	0	0	0	0	0	115.8
461	S	26.8	Very low	28.8	Very low	121 Å²	121	141 Å²	141	85%	0.846	80%	0.797	S	S	*	*			trans	-167.4	164.8	170.9	-115	0	0	0	0	110.4
462	P	42	Very low	28.9	Very low	105 Å²	105	144.4 Å²	144.4	68%	0.682	80%	0.799	S	S	*	*			cis	-137.3	-170.7	-5.4	31.2	-7.6	0	0	0	115.2
463	R	26.8	Very low	29	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	80%	0.797	S	S	*	*			trans	98.1	136.7	154.8	-59.9	-175.2	169.8	-135.5	-3.3	121.3
464	S	24.8	Very low	29	Very low	112 Å²	112	145 Å²	145	78%	0.783	80%	0.796	S	S	*	*			trans	62.7	144	155.8	35	0	0	0	0	119.1
465	S	27.4	Very low	29.1	Very low	101 Å²	101	144.1 Å²	144.1	71%	0.706	80%	0.795	S	S	*	*			cis	-167.3	151.7	-7.1	42.4	0	0	0	0	111.8
466	E	27.6	Very low	29.8	Very low	199 Å²	199	142.8 Å²	142.8	93%	0.93	80%	0.797	S	S	*	*			trans	61.5	138	161.2	-64.4	-180	164.4	0	0	120
467	G	26.5	Very low	30.5	Very low	74 Å²	74	138 Å²	138	76%	0.763	78%	0.783	S	S	*	*			trans	157.5	63.1	174.4	0	0	0	0	0	118.8
468	Q	27.4	Very low	31.4	Very low	201 Å²	201	135.7 Å²	135.7	94%	0.939	77%	0.766	S	S	*	*			trans	47.9	132.2	154.2	-64.5	178	-10.1	0	0	122.7
469	S	27.4	Very low	32	Very low	114 Å²	114	135 Å²	135	80%	0.797	77%	0.774	S	S	*	*			trans	-67	172	168.2	-52.5	0	0	0	0	113.1
470	P	39.2	Very low	32.7	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	76%	0.764	S	S	*	*			cis	-148.9	170.8	24.9	43.7	-22.9	0	0	0	120.5
471	L	30.3	Very low	34.4	Very low	156 Å²	156	131 Å²	131	82%	0.817	75%	0.745	S	S	*	*			trans	47.9	118.4	148	-68.5	166.5	0	0	0	120.7
472	Y	29.8	Very low	35.7	Very low	226 Å²	226	127.3 Å²	127.3	89%	0.886	73%	0.726	S	S	*	*				-154.2	158.9	126.2	-123.1	-83.8	0	0	0	111.9
473	I	31.5	Very low	35.8	Very low	152 Å²	152	125 Å²	125	78%	0.779	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-86.5	130	-170.9	-62.1	165.7	0	0	0	111.4	S475	I473-S475 PolarHBondContact O-N 3.06Å
474	H	29.2	Very low	36.7	Very low	188 Å²	188	120.5 Å²	120.5	87%	0.87	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-71.7	119.3	168.6	-76	-70.7	0	0	0	111.4
475	S	33.2	Very low	37.5	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-78.8	121.3	171.9	46	0	0	0	0	111.4	I473	I473-S475 PolarHBondContact O-N 3.06Å
476	S	42	Very low	38.4	Very low	118 Å²	118	119.7 Å²	119.7	83%	0.825	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-73.8	133.6	174.4	45.9	0	0	0	0	111.2
477	K	41.8	Very low	39.4	Very low	133 Å²	133	118.1 Å²	118.1	58%	0.578	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-72.5	141.8	175.2	-59.4	176.2	-175.1	174.6	0	109.5	S479 Q484	K477-S479 PolarHBondContact O-N 3.39Å; K477-Q484 HydrophobicContact CG-CG 3.97Å
478	C	44.3	Very low	40.4	Very low	43 Å²	43	118 Å²	118	29%	0.291	66%	0.664	S	S	.	*			trans	-72.8	110.9	175.9	-176.9	0	0	0	0	110.7	S480 C481 G482	C478-S480 PolarHBondContact O-N 3.49Å; C478-S480 PolarHBondContact SG-OG 3.01Å; C478-C481 PolarHBondContact O-N 3.38Å; C478-G482 PolarHBondContact O-N 3.41Å
479	S	43	Very low	41.1	Very low	132 Å²	132	112.4 Å²	112.4	92%	0.923	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-18.1	-169.6	-46.2	0	0	0	0	115.7	K477	K477-S479 PolarHBondContact O-N 3.39Å
480	S	41.9	Very low	42	Very low	87 Å²	87	115.6 Å²	115.6	61%	0.608	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-7.2	178.9	53.8	0	0	0	0	114.8	C478	C478-S480 PolarHBondContact O-N 3.49Å; C478-S480 PolarHBondContact SG-OG 3.01Å
481	C	59.2	Low	42.1	Very low	58 Å²	58	118 Å²	118	39%	0.392	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-149.6	-6.6	-178.6	62.8	0	0	0	0	116.1	C478 C483 H488	C478-C481 PolarHBondContact O-N 3.38Å; C481-C483 PolarHBondContact O-N 3.26Å; C481-H488 PolarHBondContact SG-CE1 3.36Å
482	G	53.7	Low	42.6	Very low	44 Å²	44	112.8 Å²	112.8	45%	0.454	63%	0.634	S	S	.	*			trans	72.9	-13.4	176.1	0	0	0	0	0	116.5	C478	C478-G482 PolarHBondContact O-N 3.41Å
483	C	45.2	Very low	43.1	Very low	57 Å²	57	109.6 Å²	109.6	39%	0.385	63%	0.632	S	S	.	*			trans	-56.4	138.1	-176.1	-69.7	0	0	0	0	113.8	C481 H488	C481-C483 PolarHBondContact O-N 3.26Å; C483-H488 HydrophobicContact CB-CB 4.45Å
484	Q	46	Very low	43.3	Very low	132 Å²	132	109.5 Å²	109.5	62%	0.617	63%	0.628	S	S	*	*			trans	-111.1	7.8	175.2	-71.5	176.6	72.4	0	0	113.3	K477	K477-Q484 HydrophobicContact CG-CG 3.97Å
485	S	40.6	Very low	43.3	Very low	72 Å²	72	107.3 Å²	107.3	50%	0.503	63%	0.628	S	S	.	*			trans	-75.1	125.2	179	-180	0	0	0	0	111.3	Q487 H488	S485-Q487 PolarHBondContact O-N 3.25Å; S485-H488 WeakPolarHBondContact O-CB 3.14Å; S485-H488 PolarHBondContact O-N 3.17Å
486	P	46.2	Very low	43.3	Very low	124 Å²	124	108.9 Å²	108.9	81%	0.805	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-22.8	-179.3	-27.2	35.5	0	0	0	114.8
487	Q	48.6	Very low	42.6	Very low	167 Å²	167	107 Å²	107	78%	0.78	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-7.3	-178.6	-60.6	-179	8.1	0	0	113.4	S485	S485-Q487 PolarHBondContact O-N 3.25Å
488	H	48.4	Very low	42	Very low	71 Å²	71	106.1 Å²	106.1	33%	0.329	65%	0.646	S	S	.	*	S	Bend	trans	-80.4	-22.2	-176.9	-166	-94.6	0	0	0	113.7	C481 C483 S485 E490 M491	C481-H488 PolarHBondContact SG-CE1 3.36Å; C483-H488 HydrophobicContact CB-CB 4.45Å; S485-H488 WeakPolarHBondContact O-CB 3.14Å; S485-H488 PolarHBondContact O-N 3.17Å; H488-E490 VanDerWaalsContact C-N 3.32Å; H488-E490 PolarHBondContact O-N 3.22Å; H488-M491 PolarHBondContact O-N 3.04Å
489	A	42	Very low	41.3	Very low	83 Å²	83	110 Å²	110	69%	0.686	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-61.7	-37.9	-177.8	0	0	0	0	0	112.9	M491	A489-M491 PolarHBondContact O-N 3.08Å; A489-M491 VanDerWaalsContact O-N 3.17Å
490	E	46.3	Very low	40.4	Very low	181 Å²	181	113.5 Å²	113.5	85%	0.846	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-70.8	-5.3	-177.2	-71.4	-75.4	122.1	0	0	114.7	H488	H488-E490 VanDerWaalsContact C-N 3.32Å; H488-E490 PolarHBondContact O-N 3.22Å
491	M	41.9	Very low	39.8	Very low	159 Å²	159	112.1 Å²	112.1	78%	0.783	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-127.1	-2.8	-171.6	-79.2	-179.2	47.9	0	0	115.6	H488 A489	H488-M491 PolarHBondContact O-N 3.04Å; A489-M491 PolarHBondContact O-N 3.08Å; A489-M491 VanDerWaalsContact O-N 3.17Å
492	C	39.4	Very low	38.6	Very low	48 Å²	48	118.6 Å²	118.6	32%	0.324	69%	0.691	S	S	.	*			trans	-82.2	125.1	178.2	-160.9	0	0	0	0	111.3	H494	C492-H494 VanDerWaalsContact C-N 3.3Å; C492-H494 PolarHBondContact O-N 2.84Å
493	L	41.3	Very low	37.4	Very low	158 Å²	158	124.6 Å²	124.6	83%	0.827	71%	0.708	S	S	*	*			trans	-89	28.6	-172.9	-72.3	173.4	0	0	0	114.7
494	H	34.6	Very low	36.9	Very low	151 Å²	151	130.3 Å²	130.3	70%	0.699	73%	0.731	S	S	*	*			trans	-122.4	103.4	179.8	-68.1	-84.9	0	0	0	111.8	C492 P496	C492-H494 VanDerWaalsContact C-N 3.3Å; C492-H494 PolarHBondContact O-N 2.84Å; H494-P496 WeakPolarHBondContact O-CD 3.26Å
495	T	29.8	Very low	36.1	Very low	141 Å²	141	127.7 Å²	127.7	87%	0.865	74%	0.739	S	S	*	*			trans	-101.6	105.9	169.1	44.6	0	0	0	0	110.8
496	P	33.3	Very low	35.7	Very low	127 Å²	127	133.6 Å²	133.6	83%	0.825	76%	0.759	S	S	*	*			trans	-85.2	104.6	165.6	32.3	-29.7	0	0	0	109.8	H494	H494-P496 WeakPolarHBondContact O-CD 3.26Å
497	G	28	Very low	34.9	Very low	79 Å²	79	134.6 Å²	134.6	81%	0.814	76%	0.763	S	S	*	*			trans	-101.7	126.9	164.5	0	0	0	0	0	109.5
498	S	28.2	Very low	34.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	77%	0.77	S	S	*	*			trans	-151.5	122.5	-177	-179.1	0	0	0	0	113.1
499	T	28.9	Very low	33.3	Very low	125 Å²	125	138.3 Å²	138.3	77%	0.767	79%	0.793	S	S	*	*			trans	-169	141	145.1	47.8	0	0	0	0	105.1
500	F	24.8	Very low	32.9	Very low	204 Å²	204	143.3 Å²	143.3	90%	0.895	80%	0.802	S	S	*	*			cis	-114.8	178.7	-5.4	-80.5	-111.5	0	0	0	108.2
501	G	29.9	Very low	32.4	Very low	58 Å²	58	145.6 Å²	145.6	60%	0.598	81%	0.805	S	S	*	*			cis	139.2	132.7	0	0	0	0	0	0	110.6
502	E	33.1	Very low	31.9	Very low	194 Å²	194	143.1 Å²	143.1	91%	0.907	80%	0.803	S	S	*	*			trans	64.6	151.7	176.3	-66.6	154.4	-171.6	0	0	115.8
503	E	29.1	Very low	31.7	Very low	171 Å²	171	147.7 Å²	147.7	80%	0.799	83%	0.825	S	S	*	*			cis	-141.3	-161.5	-0.6	-143.1	-167.4	155.2	0	0	111.9
504	M	33.8	Very low	31.9	Very low	176 Å²	176	145.4 Å²	145.4	87%	0.867	82%	0.821	S	S	*	*			trans	-73.6	158.3	-166	-53.1	-174.8	-161.6	0	0	116.5
505	G	29.3	Very low	32.2	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	82%	0.823	S	S	*	*			trans	178.7	98.8	165.3	0	0	0	0	0	112.9
506	E	32.7	Very low	33	Very low	196 Å²	196	142 Å²	142	92%	0.916	82%	0.82	S	S	*	*			trans	-74.6	133.1	179.8	-60.7	-179	129.8	0	0	112.4
507	T	30.2	Very low	33.8	Very low	146 Å²	146	143.9 Å²	143.9	90%	0.896	82%	0.817	S	S	*	*			trans	-167.5	147.2	140.9	5.4	0	0	0	0	111
508	Q	31.2	Very low	35	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	81%	0.814	S	S	*	*			trans	-77.5	132	-179.7	-66.3	162.2	-23.8	0	0	111.3
509	S	31	Very low	36.2	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	80%	0.796	S	S	*	*			trans	-152.4	132.1	151.4	57	0	0	0	0	110.2
510	E	33.4	Very low	37.8	Very low	188 Å²	188	140.7 Å²	140.7	88%	0.879	79%	0.788	S	S	*	*			trans	-91.1	112.4	-173.1	-61.8	175.1	138.9	0	0	110.4
511	Y	35.8	Very low	39.6	Very low	229 Å²	229	134.6 Å²	134.6	90%	0.898	76%	0.761	S	S	*	*			trans	-151.2	65.4	160.7	-142.3	-91.7	0	0	0	111.7
512	S	32.8	Very low	41.6	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	76%	0.759	S	S	*	*			trans	-72.1	134.3	174.4	-58.5	0	0	0	0	111.2	S514	S512-S514 VanDerWaalsContact C-N 3.32Å; S512-S514 PolarHBondContact O-N 2.28Å
513	D	35.5	Very low	43.6	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	72%	0.718	S	S	*	*			trans	-78.1	73.1	-173.1	-165.6	-0.9	0	0	0	112.5	S515	D513-S515 VanDerWaalsContact C-N 3.34Å; D513-S515 PolarHBondContact O-N 2.77Å; D513-S515 VanDerWaalsContact O-N 3.09Å
514	S	44.3	Very low	45.3	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	72%	0.715	S	S	*	*			trans	-86.1	64	-174.3	63	0	0	0	0	113.1	S512	S512-S514 VanDerWaalsContact C-N 3.32Å; S512-S514 PolarHBondContact O-N 2.28Å
515	S	41.9	Very low	47	Very low	106 Å²	106	125.4 Å²	125.4	74%	0.741	70%	0.704	S	S	*	*			trans	-108.5	14.5	175.1	-59.2	0	0	0	0	113.9	D513	D513-S515 VanDerWaalsContact C-N 3.34Å; D513-S515 PolarHBondContact O-N 2.77Å; D513-S515 VanDerWaalsContact O-N 3.09Å
516	C	46	Very low	49.1	Very low	116 Å²	116	123.9 Å²	123.9	78%	0.784	68%	0.68	S	S	*	*			trans	-105.7	9.7	-168.1	55.3	0	0	0	0	115.8
517	E	50.1	Low	50.7	Low	165 Å²	165	121 Å²	121	77%	0.771	67%	0.671	S	S	*	*	S	Bend	trans	-109.3	152.4	177.5	-59.6	-162.8	151.1	0	0	112.4
518	N	53.4	Low	52.9	Low	140 Å²	140	116.7 Å²	116.7	75%	0.749	65%	0.646	S	S	*	*			trans	71.2	43.7	179.3	-51.9	-53.6	0	0	0	117.2	A520	N518-A520 VanDerWaalsContact C-N 3.25Å; N518-A520 PolarHBondContact O-N 2.55Å
519	G	52.3	Low	54.9	Low	42 Å²	42	117 Å²	117	43%	0.433	64%	0.639	S	S	.	*			trans	-72.2	72.5	160.3	0	0	0	0	0	112.6	F521 F530	G519-F521 VanDerWaalsContact C-N 3.29Å; G519-F521 PolarHBondContact O-N 3.34Å; G519-F530 CarbonylContact C-O 3.12Å; G519-F530 VanDerWaalsContact C-O 3.24Å; G519-F530 WeakPolarHBondContact CA-O 3.41Å
520	A	62.7	Low	57.2	Low	71 Å²	71	113.6 Å²	113.6	59%	0.587	61%	0.609	S	S	*	*			trans	-70.8	-11.1	-168.2	0	0	0	0	0	116.3	N518 F530	N518-A520 VanDerWaalsContact C-N 3.25Å; N518-A520 PolarHBondContact O-N 2.55Å; A520-F530 PolarHBondContact N-O 3.01Å
521	F	63.2	Low	59.2	Low	75 Å²	75	108.7 Å²	108.7	33%	0.329	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	126.2	-173.8	-61.4	-83.1	0	0	0	110.9	G519 R529 F530 E532 E533 L536	G519-F521 VanDerWaalsContact C-N 3.29Å; G519-F521 PolarHBondContact O-N 3.34Å; F521-R529 CarbonylContact O-C 3.6Å; F521-F530 HydrophobicContact CB-CB 4.46Å; F521-F530 PolarHBondContact N-O 3.02Å; F521-F530 PolarHBondContact O-N 3.33Å; F521-E532 VanDerWaalsContact CD2-C 3.42Å; F521-E533 HydrophobicContact CD1-CB 3.82Å; F521-E533 HydrophobicContact CD1-CG 3.88Å; F521-E533 HydrophobicContact CD2-CB 4.34Å; F521-E533 HydrophobicContact CE1-CB 3.57Å; F521-E533 HydrophobicContact CE1-CG 3.75Å; F521-E533 HydrophobicContact CE2-CB 4.12Å; F521-E533 HydrophobicContact CG-CB 4.2Å; F521-E533 HydrophobicContact CZ-CB 3.74Å; F521-E533 HydrophobicContact CZ-CG 4.39Å; F521-L536 HydrophobicContact CB-CB 3.97Å; F521-L536 HydrophobicContact CB-CD2 3.85Å
522	F	72.1	Confident	61.3	Low	127 Å²	127	102.3 Å²	102.3	56%	0.557	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.4	152.6	-176.5	59.6	-85.9	0	0	0	113.2	N524 C528 L536	F522-N524 WeakPolarHBondContact CD2-OD1 3.4Å; F522-N524 WeakPolarHBondContact CE2-OD1 3.29Å; F522-C528 WeakPolarHBondContact CA-O 3.47Å; F522-L536 WeakPolarHBondContact O-CD1 3.21Å; F522-L536 WeakPolarHBondContact O-CD2 3.24Å
523	C	74.1	Confident	63.4	Low	6 Å²	6	101.6 Å²	101.6	4%	0.041	56%	0.559	C	S	.	*			trans	-86.3	104.9	177.7	174	0	0	0	0	111.2	E525 C526 D527 C528 F530 L536 H539 H544	C523-E525 PolarHBondContact O-N 3.31Å; C523-C526 HydrophobicContact CB-CB 4.32Å; C523-C526 WeakPolarHBondContact CB-SG 3.31Å; C523-C526 PolarHBondContact O-N 3.29Å; C523-C526 VanDerWaalsContact O-N 3.12Å; C523-C526 WeakPolarHBondContact SG-CB 3.22Å; C523-C526 PolarHBondContact SG-N 3.46Å; C523-C526 CovalentContact SG-SG 2.05Å; C523-C526 PolarHBondContact SG-SG 3.32Å; C523-D527 WeakPolarHBondContact O-CA 3.3Å; C523-D527 PolarHBondContact O-N 3.19Å; C523-C528 HydrophobicContact CB-CB 4.05Å; C523-C528 WeakPolarHBondContact CB-O 3.47Å; C523-C528 PolarHBondContact N-O 3.41Å; C523-F530 HydrophobicContact CB-CE2 4.41Å; C523-L536 HydrophobicContact CB-CD1 4.22Å; C523-H539 PolarHBondContact SG-NE2 3Å; C523-H544 PolarHBondContact SG-NE2 3.2Å; C523-H544 VanDerWaalsContact SG-NE2 3.41Å
524	N	66.3	Low	65.3	Low	138 Å²	138	97.4 Å²	97.4	74%	0.738	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.8	179.8	-63.1	2.2	0	0	0	114.6	F522	F522-N524 WeakPolarHBondContact CD2-OD1 3.4Å; F522-N524 WeakPolarHBondContact CE2-OD1 3.29Å
525	E	68.3	Low	66.8	Low	136 Å²	136	93.1 Å²	93.1	64%	0.636	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-0.8	-178.9	-65.7	176.4	-115.1	0	0	113.1	C523 H544	C523-E525 PolarHBondContact O-N 3.31Å; E525-H544 WeakPolarHBondContact CB-CE1 3.35Å; E525-H544 VanDerWaalsContact CB-ND1 3.3Å; E525-H544 WeakPolarHBondContact CB-ND1 3.26Å; E525-H544 IonicContact OE1-CG 2.82Å; E525-H544 IonicContact OE1-ND1 2.75Å; E525-H544 IonicContact OE2-CE1 3.45Å; E525-H544 IonicContact OE2-CG 3.3Å; E525-H544 IonicContact OE2-ND1 3.19Å; E525-H544 PolarHBondContact OE2-ND1 2.92Å
526	C	72.9	Confident	68.6	Low	44 Å²	44	89.8 Å²	89.8	30%	0.297	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.1	8.1	-169.9	76	0	0	0	0	116.8	C523 C528 H539 H544	C523-C526 HydrophobicContact CB-CB 4.32Å; C523-C526 WeakPolarHBondContact CB-SG 3.31Å; C523-C526 PolarHBondContact O-N 3.29Å; C523-C526 VanDerWaalsContact O-N 3.12Å; C523-C526 WeakPolarHBondContact SG-CB 3.22Å; C523-C526 PolarHBondContact SG-N 3.46Å; C523-C526 CovalentContact SG-SG 2.05Å; C523-C526 PolarHBondContact SG-SG 3.32Å; C526-C528 PolarHBondContact O-N 3.19Å; C526-C528 PolarHBondContact O-SG 2.88Å; C526-H539 VanDerWaalsContact SG-CE1 3.53Å; C526-H539 PolarHBondContact SG-NE2 3.08Å; C526-H544 PolarHBondContact SG-NE2 3.46Å
527	D	67.8	Low	69.8	Low	135 Å²	135	89.4 Å²	89.4	72%	0.722	47%	0.473	S	S	*	.			trans	54	4.7	177.9	-63.2	-36.5	0	0	0	117.6	C523 R529	C523-D527 WeakPolarHBondContact O-CA 3.3Å; C523-D527 PolarHBondContact O-N 3.19Å; D527-R529 PolarHBondContact O-N 3.34Å
528	C	75.4	Confident	70.8	Confident	56 Å²	56	86.8 Å²	86.8	38%	0.378	46%	0.457	S	S	.	.			trans	-63.7	128.8	176.3	-65.3	0	0	0	0	110.7	F522 C523 C526 F530	F522-C528 WeakPolarHBondContact CA-O 3.47Å; C523-C528 HydrophobicContact CB-CB 4.05Å; C523-C528 WeakPolarHBondContact CB-O 3.47Å; C523-C528 PolarHBondContact N-O 3.41Å; C526-C528 PolarHBondContact O-N 3.19Å; C526-C528 PolarHBondContact O-SG 2.88Å; C528-F530 HydrophobicContact CB-CE2 3.61Å; C528-F530 HydrophobicContact CB-CZ 3.61Å; C528-F530 WeakPolarHBondContact O-CD2 3.49Å; C528-F530 VanDerWaalsContact O-CE2 3.25Å; C528-F530 WeakPolarHBondContact O-CE2 3.38Å
529	R	74.1	Confident	72	Confident	205 Å²	205	81.2 Å²	81.2	77%	0.774	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	144	179.9	-62	-178.2	-178.9	-178.1	-2.1	111.8	F521 D527	F521-R529 CarbonylContact O-C 3.6Å; D527-R529 PolarHBondContact O-N 3.34Å
530	F	78	Confident	72.9	Confident	45 Å²	45	81.4 Å²	81.4	20%	0.197	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.2	-178	-56.8	-79.4	0	0	0	110.6	G519 A520 F521 C523 C528 E532 L536 H539	G519-F530 CarbonylContact C-O 3.12Å; G519-F530 VanDerWaalsContact C-O 3.24Å; G519-F530 WeakPolarHBondContact CA-O 3.41Å; A520-F530 PolarHBondContact N-O 3.01Å; F521-F530 HydrophobicContact CB-CB 4.46Å; F521-F530 PolarHBondContact N-O 3.02Å; F521-F530 PolarHBondContact O-N 3.33Å; C523-F530 HydrophobicContact CB-CE2 4.41Å; C528-F530 HydrophobicContact CB-CE2 3.61Å; C528-F530 HydrophobicContact CB-CZ 3.61Å; C528-F530 WeakPolarHBondContact O-CD2 3.49Å; C528-F530 VanDerWaalsContact O-CE2 3.25Å; C528-F530 WeakPolarHBondContact O-CE2 3.38Å; F530-E532 VanDerWaalsContact C-N 3.34Å; F530-L536 HydrophobicContact CB-CB 4.35Å; F530-L536 HydrophobicContact CD2-CB 3.99Å; F530-L536 HydrophobicContact CD2-CD1 3.81Å; F530-L536 HydrophobicContact CE2-CD1 4.03Å; F530-L536 HydrophobicContact CG-CB 4.36Å; F530-H539 HydrophobicContact CE1-CB 3.88Å; F530-H539 HydrophobicContact CE2-CB 3.91Å; F530-H539 AromaticContact CE2-CD2 3.54Å; F530-H539 AromaticContact CE2-CG 3.57Å; F530-H539 HydrophobicContact CZ-CB 3.49Å; F530-H539 VanDerWaalsContact CZ-CB 3.49Å; F530-H539 AromaticContact CZ-CD2 3.63Å; F530-H539 AromaticContact CZ-CE1 3.99Å; F530-H539 AromaticContact CZ-CG 3.18Å; F530-H539 AromaticContact CZ-ND1 3.46Å; F530-H539 WeakPolarHBondContact CZ-ND1 3.26Å
531	S	76	Confident	73.2	Confident	86 Å²	86	81.2 Å²	81.2	60%	0.601	41%	0.409	S	S	*	.	S	Bend	trans	-73.2	-24.2	173.2	46.6	0	0	0	0	113.3
532	E	79.3	Confident	73.3	Confident	95 Å²	95	81.3 Å²	81.3	44%	0.444	41%	0.411	S	S	.	.			trans	-124.8	139.1	-175.5	-51.7	170.8	149.9	0	0	112.1	F521 F530 A534 S535 L536 R538	F521-E532 VanDerWaalsContact CD2-C 3.42Å; F530-E532 VanDerWaalsContact C-N 3.34Å; E532-A534 HydrophobicContact CB-CB 4.45Å; E532-A534 PolarHBondContact O-N 2.84Å; E532-S535 WeakPolarHBondContact O-CA 3.24Å; E532-S535 PolarHBondContact O-N 3.2Å; E532-S535 PolarHBondContact OE2-OG 3.03Å; E532-L536 PolarHBondContact O-N 2.99Å; E532-R538 IonicContact OE2-NH2 3.13Å
533	E	76.9	Confident	72.9	Confident	91 Å²	91	79.1 Å²	79.1	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-59.1	-35.2	167.9	-158.4	-148.1	-165.3	0	0	111.6	F521 S535 L536 K537	F521-E533 HydrophobicContact CD1-CB 3.82Å; F521-E533 HydrophobicContact CD1-CG 3.88Å; F521-E533 HydrophobicContact CD2-CB 4.34Å; F521-E533 HydrophobicContact CE1-CB 3.57Å; F521-E533 HydrophobicContact CE1-CG 3.75Å; F521-E533 HydrophobicContact CE2-CB 4.12Å; F521-E533 HydrophobicContact CG-CB 4.2Å; F521-E533 HydrophobicContact CZ-CB 3.74Å; F521-E533 HydrophobicContact CZ-CG 4.39Å; E533-S535 VanDerWaalsContact C-N 3.28Å; E533-S535 PolarHBondContact O-N 3.23Å; E533-L536 PolarHBondContact O-N 2.9Å; E533-K537 HydrophobicContact CG-CD 4.33Å; E533-K537 WeakPolarHBondContact O-CB 3.33Å; E533-K537 WeakPolarHBondContact O-CG 3.32Å; E533-K537 PolarHBondContact O-N 2.8Å; E533-K537 WeakPolarHBondContact OE1-CE 3.34Å; E533-K537 IonicContact OE1-NZ 2.9Å; E533-K537 PolarHBondContact OE1-NZ 2.77Å; E533-K537 WeakPolarHBondContact OE2-CE 3.23Å; E533-K537 IonicContact OE2-NZ 2.63Å; E533-K537 PolarHBondContact OE2-NZ 3.46Å
534	A	75.7	Confident	72.7	Confident	58 Å²	58	81.4 Å²	81.4	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-31.4	174.7	0	0	0	0	0	112.5	E532 R538	E532-A534 HydrophobicContact CB-CB 4.45Å; E532-A534 PolarHBondContact O-N 2.84Å; A534-R538 WeakPolarHBondContact O-CB 3.46Å; A534-R538 PolarHBondContact O-N 3.44Å; A534-R538 VanDerWaalsContact O-N 3.07Å
535	S	77.4	Confident	72.6	Confident	18 Å²	18	76.4 Å²	76.4	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-79.8	-38	174.5	-74.3	0	0	0	0	111.9	E532 E533 R538 H539	E532-S535 WeakPolarHBondContact O-CA 3.24Å; E532-S535 PolarHBondContact O-N 3.2Å; E532-S535 PolarHBondContact OE2-OG 3.03Å; E533-S535 VanDerWaalsContact C-N 3.28Å; E533-S535 PolarHBondContact O-N 3.23Å; S535-R538 PolarHBondContact O-N 2.72Å; S535-R538 PolarHBondContact OG-NH1 3.34Å; S535-R538 PolarHBondContact OG-NH2 2.84Å; S535-H539 VanDerWaalsContact O-CB 3.25Å; S535-H539 WeakPolarHBondContact O-CB 3.32Å; S535-H539 PolarHBondContact O-N 3.27Å
536	L	78.1	Confident	72.3	Confident	36 Å²	36	77 Å²	77	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-60.8	-48.5	169.3	174	62.2	0	0	0	111.7	F521 F522 C523 F530 E532 E533 R538 H539 S540	F521-L536 HydrophobicContact CB-CB 3.97Å; F521-L536 HydrophobicContact CB-CD2 3.85Å; F522-L536 WeakPolarHBondContact O-CD1 3.21Å; F522-L536 WeakPolarHBondContact O-CD2 3.24Å; C523-L536 HydrophobicContact CB-CD1 4.22Å; F530-L536 HydrophobicContact CB-CB 4.35Å; F530-L536 HydrophobicContact CD2-CB 3.99Å; F530-L536 HydrophobicContact CD2-CD1 3.81Å; F530-L536 HydrophobicContact CE2-CD1 4.03Å; F530-L536 HydrophobicContact CG-CB 4.36Å; E532-L536 PolarHBondContact O-N 2.99Å; E533-L536 PolarHBondContact O-N 2.9Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 3.28Å; L536-H539 CarbonylContact O-C 3.5Å; L536-H539 WeakPolarHBondContact O-CB 3.25Å; L536-H539 PolarHBondContact O-N 3.49Å; L536-H539 VanDerWaalsContact O-N 3.11Å; L536-S540 PolarHBondContact O-N 3.18Å
537	K	71.8	Confident	72.2	Confident	108 Å²	108	79.7 Å²	79.7	47%	0.47	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-43.1	176.1	-76.5	171.6	175.5	167.2	0	111.4	E533 H539 L541	E533-K537 HydrophobicContact CG-CD 4.33Å; E533-K537 WeakPolarHBondContact O-CB 3.33Å; E533-K537 WeakPolarHBondContact O-CG 3.32Å; E533-K537 PolarHBondContact O-N 2.8Å; E533-K537 WeakPolarHBondContact OE1-CE 3.34Å; E533-K537 IonicContact OE1-NZ 2.9Å; E533-K537 PolarHBondContact OE1-NZ 2.77Å; E533-K537 WeakPolarHBondContact OE2-CE 3.23Å; E533-K537 IonicContact OE2-NZ 2.63Å; E533-K537 PolarHBondContact OE2-NZ 3.46Å; K537-H539 VanDerWaalsContact C-N 3.32Å; K537-H539 PolarHBondContact O-N 2.69Å; K537-L541 WeakPolarHBondContact O-CB 3.39Å; K537-L541 VanDerWaalsContact O-CG 3.23Å; K537-L541 WeakPolarHBondContact O-CG 3.18Å; K537-L541 PolarHBondContact O-N 3.17Å
538	R	71.7	Confident	72.4	Confident	111 Å²	111	76.1 Å²	76.1	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-38.8	174.3	-169	-167.8	-47.7	123.5	10	112	E532 A534 S535 L536 Q542	E532-R538 IonicContact OE2-NH2 3.13Å; A534-R538 WeakPolarHBondContact O-CB 3.46Å; A534-R538 PolarHBondContact O-N 3.44Å; A534-R538 VanDerWaalsContact O-N 3.07Å; S535-R538 PolarHBondContact O-N 2.72Å; S535-R538 PolarHBondContact OG-NH1 3.34Å; S535-R538 PolarHBondContact OG-NH2 2.84Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 3.28Å; R538-Q542 WeakPolarHBondContact O-CB 3.49Å; R538-Q542 WeakPolarHBondContact O-CG 3.35Å; R538-Q542 PolarHBondContact O-N 2.81Å
539	H	77.3	Confident	72.4	Confident	22 Å²	22	77.8 Å²	77.8	10%	0.102	39%	0.391	C	S	.	.	H	α-helix	trans	-71	-45.5	177.9	162.9	81.8	0	0	0	112.4	C523 C526 F530 S535 L536 K537 L541 Q542 V543 H544	C523-H539 PolarHBondContact SG-NE2 3Å; C526-H539 VanDerWaalsContact SG-CE1 3.53Å; C526-H539 PolarHBondContact SG-NE2 3.08Å; F530-H539 HydrophobicContact CE1-CB 3.88Å; F530-H539 HydrophobicContact CE2-CB 3.91Å; F530-H539 AromaticContact CE2-CD2 3.54Å; F530-H539 AromaticContact CE2-CG 3.57Å; F530-H539 HydrophobicContact CZ-CB 3.49Å; F530-H539 VanDerWaalsContact CZ-CB 3.49Å; F530-H539 AromaticContact CZ-CD2 3.63Å; F530-H539 AromaticContact CZ-CE1 3.99Å; F530-H539 AromaticContact CZ-CG 3.18Å; F530-H539 AromaticContact CZ-ND1 3.46Å; F530-H539 WeakPolarHBondContact CZ-ND1 3.26Å; S535-H539 VanDerWaalsContact O-CB 3.25Å; S535-H539 WeakPolarHBondContact O-CB 3.32Å; S535-H539 PolarHBondContact O-N 3.27Å; L536-H539 CarbonylContact O-C 3.5Å; L536-H539 WeakPolarHBondContact O-CB 3.25Å; L536-H539 PolarHBondContact O-N 3.49Å; L536-H539 VanDerWaalsContact O-N 3.11Å; K537-H539 VanDerWaalsContact C-N 3.32Å; K537-H539 PolarHBondContact O-N 2.69Å; H539-L541 VanDerWaalsContact C-N 3.29Å; H539-L541 PolarHBondContact O-N 2.71Å; H539-Q542 CarbonylContact O-C 3.55Å; H539-Q542 WeakPolarHBondContact O-CA 3.16Å; H539-Q542 WeakPolarHBondContact O-CB 3.49Å; H539-Q542 PolarHBondContact O-N 3.09Å; H539-V543 PolarHBondContact O-N 2.95Å; H539-H544 AromaticContact NE2-CD2 3.92Å; H539-H544 AromaticContact NE2-NE2 3.84Å
540	S	71.5	Confident	72.6	Confident	47 Å²	47	73.9 Å²	73.9	33%	0.329	38%	0.38	S	S	.	.	H	α-helix	trans	-56.1	-45	170.9	173.5	0	0	0	0	110.6	L536 Q542 V543 H544 S545	L536-S540 PolarHBondContact O-N 3.18Å; S540-Q542 PolarHBondContact O-N 3.45Å; S540-V543 PolarHBondContact O-N 2.89Å; S540-H544 CarbonylContact O-C 3.56Å; S540-H544 WeakPolarHBondContact O-CA 3.39Å; S540-H544 PolarHBondContact O-N 3.41Å; S540-S545 PolarHBondContact O-N 2.84Å
541	L	69.7	Low	72.9	Confident	66 Å²	66	71.8 Å²	71.8	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-18.2	172.2	-70.6	170.2	0	0	0	114.7	K537 H539 P548 R559	K537-L541 WeakPolarHBondContact O-CB 3.39Å; K537-L541 VanDerWaalsContact O-CG 3.23Å; K537-L541 WeakPolarHBondContact O-CG 3.18Å; K537-L541 PolarHBondContact O-N 3.17Å; H539-L541 VanDerWaalsContact C-N 3.29Å; H539-L541 PolarHBondContact O-N 2.71Å; L541-P548 HydrophobicContact CD2-CG 4.21Å; L541-R559 WeakPolarHBondContact O-CD 3.4Å
542	Q	64.5	Low	73	Confident	78 Å²	78	73.1 Å²	73.1	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-95.1	-30.5	178.2	-81.3	176.2	22.7	0	0	114.4	R538 H539 S540 R559 Y560	R538-Q542 WeakPolarHBondContact O-CB 3.49Å; R538-Q542 WeakPolarHBondContact O-CG 3.35Å; R538-Q542 PolarHBondContact O-N 2.81Å; H539-Q542 CarbonylContact O-C 3.55Å; H539-Q542 WeakPolarHBondContact O-CA 3.16Å; H539-Q542 WeakPolarHBondContact O-CB 3.49Å; H539-Q542 PolarHBondContact O-N 3.09Å; S540-Q542 PolarHBondContact O-N 3.45Å; Q542-R559 PolarHBondContact O-NE 2.87Å; Q542-R559 PolarHBondContact O-NH1 3.14Å; Q542-R559 PolarHBondContact O-NH2 3.03Å; Q542-Y560 WeakPolarHBondContact CG-OH 3.34Å; Q542-Y560 PolarHBondContact NE2-OH 3.37Å
543	V	64.8	Low	73	Confident	80 Å²	80	76.8 Å²	76.8	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-114.6	-46.9	-172.4	-176.8	0	0	0	0	111.1	H539 S540	H539-V543 PolarHBondContact O-N 2.95Å; S540-V543 PolarHBondContact O-N 2.89Å
544	H	68.9	Low	73.2	Confident	54 Å²	54	75.4 Å²	75.4	25%	0.25	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-23.7	-167.5	-60.5	-76.1	0	0	0	114.1	C523 E525 C526 H539 S540	C523-H544 PolarHBondContact SG-NE2 3.2Å; C523-H544 VanDerWaalsContact SG-NE2 3.41Å; E525-H544 WeakPolarHBondContact CB-CE1 3.35Å; E525-H544 VanDerWaalsContact CB-ND1 3.3Å; E525-H544 WeakPolarHBondContact CB-ND1 3.26Å; E525-H544 IonicContact OE1-CG 2.82Å; E525-H544 IonicContact OE1-ND1 2.75Å; E525-H544 IonicContact OE2-CE1 3.45Å; E525-H544 IonicContact OE2-CG 3.3Å; E525-H544 IonicContact OE2-ND1 3.19Å; E525-H544 PolarHBondContact OE2-ND1 2.92Å; C526-H544 PolarHBondContact SG-NE2 3.46Å; H539-H544 AromaticContact NE2-CD2 3.92Å; H539-H544 AromaticContact NE2-NE2 3.84Å; S540-H544 CarbonylContact O-C 3.56Å; S540-H544 WeakPolarHBondContact O-CA 3.39Å; S540-H544 PolarHBondContact O-N 3.41Å
545	S	64.7	Low	73.3	Confident	34 Å²	34	78.8 Å²	78.8	24%	0.238	39%	0.386	C	S	.	.	S	Bend	trans	-87.3	135	-177.8	-170.3	0	0	0	0	114.7	S540 K547	S540-S545 PolarHBondContact O-N 2.84Å; S545-K547 VanDerWaalsContact C-N 3.28Å; S545-K547 PolarHBondContact O-N 3.15Å
546	D	62.3	Low	73.3	Confident	147 Å²	147	79.6 Å²	79.6	79%	0.786	39%	0.394	S	S	*	.			trans	-69	74.4	168.1	-95	-36.7	0	0	0	113.4	P548	D546-P548 WeakPolarHBondContact O-CA 3.24Å
547	K	70.8	Confident	73.4	Confident	101 Å²	101	80 Å²	80	44%	0.439	40%	0.4	S	S	.	.			trans	35.1	60.5	155.1	-61.8	164.2	-176.6	155.4	0	114	S545 Y549 S557 F558 R559	S545-K547 VanDerWaalsContact C-N 3.28Å; S545-K547 PolarHBondContact O-N 3.15Å; K547-Y549 PolarHBondContact O-N 2.82Å; K547-S557 WeakPolarHBondContact O-CB 3.49Å; K547-F558 CarbonylContact C-O 3.48Å; K547-R559 HydrophobicContact CB-CG 4.48Å; K547-R559 HydrophobicContact CG-CG 4.04Å
548	P	71.4	Confident	73.8	Confident	61 Å²	61	76.9 Å²	76.9	40%	0.396	39%	0.386	S	S	.	.			trans	-64.3	-19.3	-157.7	20.2	-33.5	0	0	0	115.7	L541 D546 K550	L541-P548 HydrophobicContact CD2-CG 4.21Å; D546-P548 WeakPolarHBondContact O-CA 3.24Å; P548-K550 PolarHBondContact O-N 2.92Å
549	Y	74.9	Confident	73.9	Confident	90 Å²	90	76.1 Å²	76.1	35%	0.353	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	83.7	-178	-56.3	-77.2	0	0	0	111.1	K547 F558 Y560 K561	K547-Y549 PolarHBondContact O-N 2.82Å; Y549-F558 WeakPolarHBondContact CB-O 3.35Å; Y549-F558 WeakPolarHBondContact CD2-O 3.48Å; Y549-F558 PolarHBondContact N-O 3.44Å; Y549-F558 WeakPolarHBondContact O-CD2 3.38Å; Y549-F558 PolarHBondContact O-N 3.29Å; Y549-Y560 VanDerWaalsContact CD2-CA 3.5Å; Y549-K561 HydrophobicContact CD1-CB 4.01Å; Y549-K561 HydrophobicContact CD1-CG 4.45Å; Y549-K561 VanDerWaalsContact CD2-N 3.33Å; Y549-K561 HydrophobicContact CE1-CB 3.76Å; Y549-K561 HydrophobicContact CE1-CG 4.33Å; Y549-K561 HydrophobicContact CE2-CB 4.49Å; Y549-K561 HydrophobicContact CG-CB 4.48Å
550	K	79.1	Confident	73.9	Confident	124 Å²	124	79.5 Å²	79.5	54%	0.539	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	151.4	177.6	-52.2	-165.2	176.7	176.7	0	112.1	P548 A556 S557 L564	P548-K550 PolarHBondContact O-N 2.92Å; K550-A556 CarbonylContact C-O 3.5Å; K550-S557 WeakPolarHBondContact CG-OG 3.45Å; K550-L564 WeakPolarHBondContact O-CD2 3.37Å
551	C	83.3	Confident	74.2	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	41%	0.413	C	S	.	.			trans	-100.5	111.2	174.5	-173	0	0	0	0	111.9	R553 C554 Q555 A556 F558 L564 H567	C551-R553 PolarHBondContact O-N 3.24Å; C551-C554 PolarHBondContact O-N 2.78Å; C551-C554 VanDerWaalsContact O-N 3.08Å; C551-Q555 WeakPolarHBondContact O-CA 3.38Å; C551-Q555 PolarHBondContact O-N 3.41Å; C551-A556 HydrophobicContact CB-CB 4.47Å; C551-A556 WeakPolarHBondContact CB-O 3.47Å; C551-A556 PolarHBondContact N-O 3.45Å; C551-F558 HydrophobicContact CB-CE2 4.29Å; C551-L564 HydrophobicContact CB-CD1 3.67Å; C551-H567 VanDerWaalsContact SG-CD2 3.59Å; C551-H567 PolarHBondContact SG-NE2 3Å
552	D	78.8	Confident	74.6	Confident	113 Å²	113	83.6 Å²	83.6	60%	0.604	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-21.6	177.8	10	-69.4	0	0	0	115.6	K568	D552-K568 IonicContact OD1-NZ 3.78Å; D552-K568 PolarHBondContact OD1-NZ 2.98Å; D552-K568 WeakPolarHBondContact OD2-CE 3.13Å; D552-K568 IonicContact OD2-NZ 2.73Å; D552-K568 PolarHBondContact OD2-NZ 3.16Å
553	R	79	Confident	75.4	Confident	172 Å²	172	83 Å²	83	65%	0.649	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.7	178.9	-73.2	-172.3	177	-170.8	0.9	116.2	C551 H571	C551-R553 PolarHBondContact O-N 3.24Å; R553-H571 PolarHBondContact NH1-O 3.17Å
554	C	81.2	Confident	76.2	Confident	62 Å²	62	80.1 Å²	80.1	42%	0.419	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.5	8.1	-178.6	69.4	0	0	0	0	115.4	C551 A556 H567 H571	C551-C554 PolarHBondContact O-N 2.78Å; C551-C554 VanDerWaalsContact O-N 3.08Å; C554-A556 PolarHBondContact O-N 2.87Å; C554-A556 WeakPolarHBondContact SG-CB 3.49Å; C554-H567 PolarHBondContact SG-NE2 3.48Å; C554-H571 PolarHBondContact SG-NE2 2.99Å
555	Q	77.6	Confident	76.7	Confident	130 Å²	130	80.2 Å²	80.2	61%	0.607	41%	0.409	S	S	*	.			trans	56.8	5	-176.3	-55.1	-59.1	-19.4	0	0	116.1	C551 S557	C551-Q555 WeakPolarHBondContact O-CA 3.38Å; C551-Q555 PolarHBondContact O-N 3.41Å; Q555-S557 PolarHBondContact O-N 3.3Å; Q555-S557 PolarHBondContact O-OG 3.09Å
556	A	78	Confident	77.4	Confident	35 Å²	35	80.2 Å²	80.2	29%	0.289	41%	0.409	S	S	.	.			trans	-56.3	123.5	171.9	0	0	0	0	0	110.1	K550 C551 C554 F558	K550-A556 CarbonylContact C-O 3.5Å; C551-A556 HydrophobicContact CB-CB 4.47Å; C551-A556 WeakPolarHBondContact CB-O 3.47Å; C551-A556 PolarHBondContact N-O 3.45Å; C554-A556 PolarHBondContact O-N 2.87Å; C554-A556 WeakPolarHBondContact SG-CB 3.49Å; A556-F558 HydrophobicContact CB-CE2 3.68Å; A556-F558 HydrophobicContact CB-CZ 3.78Å; A556-F558 WeakPolarHBondContact O-CD2 3.26Å; A556-F558 WeakPolarHBondContact O-CE2 3.39Å
557	S	80.1	Confident	78.4	Confident	43 Å²	43	74.5 Å²	74.5	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.4	-169.6	-60.6	0	0	0	0	110.6	K547 K550 Q555	K547-S557 WeakPolarHBondContact O-CB 3.49Å; K550-S557 WeakPolarHBondContact CG-OG 3.45Å; Q555-S557 PolarHBondContact O-N 3.3Å; Q555-S557 PolarHBondContact O-OG 3.09Å
558	F	79.6	Confident	78.8	Confident	44 Å²	44	73.2 Å²	73.2	19%	0.193	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.7	-171.7	-59.6	-85.3	0	0	0	112.2	K547 Y549 C551 A556 N563 L564 H567	K547-F558 CarbonylContact C-O 3.48Å; Y549-F558 WeakPolarHBondContact CB-O 3.35Å; Y549-F558 WeakPolarHBondContact CD2-O 3.48Å; Y549-F558 PolarHBondContact N-O 3.44Å; Y549-F558 WeakPolarHBondContact O-CD2 3.38Å; Y549-F558 PolarHBondContact O-N 3.29Å; C551-F558 HydrophobicContact CB-CE2 4.29Å; A556-F558 HydrophobicContact CB-CE2 3.68Å; A556-F558 HydrophobicContact CB-CZ 3.78Å; A556-F558 WeakPolarHBondContact O-CD2 3.26Å; A556-F558 WeakPolarHBondContact O-CE2 3.39Å; F558-N563 HydrophobicContact CB-CB 4.22Å; F558-N563 HydrophobicContact CD1-CB 4.15Å; F558-N563 HydrophobicContact CG-CB 4.44Å; F558-L564 HydrophobicContact CB-CB 4.39Å; F558-L564 HydrophobicContact CD2-CB 4.13Å; F558-L564 HydrophobicContact CD2-CD1 3.93Å; F558-L564 HydrophobicContact CE2-CD1 4.23Å; F558-L564 HydrophobicContact CG-CB 4.47Å; F558-H567 HydrophobicContact CE1-CB 4.16Å; F558-H567 HydrophobicContact CE2-CB 3.98Å; F558-H567 AromaticContact CE2-CD2 3.22Å; F558-H567 WeakPolarHBondContact CE2-CD2 3.41Å; F558-H567 AromaticContact CE2-CG 3.56Å; F558-H567 AromaticContact CE2-NE2 3.74Å; F558-H567 HydrophobicContact CZ-CB 3.66Å; F558-H567 AromaticContact CZ-CD2 3.42Å; F558-H567 VanDerWaalsContact CZ-CD2 3.42Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.49Å; F558-H567 AromaticContact CZ-CE1 3.94Å; F558-H567 AromaticContact CZ-CG 3.26Å; F558-H567 AromaticContact CZ-ND1 3.63Å; F558-H567 AromaticContact CZ-NE2 3.82Å
559	R	73.6	Confident	79.3	Confident	94 Å²	94	71.5 Å²	71.5	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-79.2	-11.2	176.9	-72.1	179.4	166.5	151.6	-3.3	114.9	L541 Q542 K547	L541-R559 WeakPolarHBondContact O-CD 3.4Å; Q542-R559 PolarHBondContact O-NE 2.87Å; Q542-R559 PolarHBondContact O-NH1 3.14Å; Q542-R559 PolarHBondContact O-NH2 3.03Å; K547-R559 HydrophobicContact CB-CG 4.48Å; K547-R559 HydrophobicContact CG-CG 4.04Å
560	Y	78	Confident	79.5	Confident	93 Å²	93	71.4 Å²	71.4	37%	0.365	37%	0.368	S	S	.	.	S	Bend	trans	-139	139.6	-179.8	-55.5	-62.9	0	0	0	112.9	Q542 Y549 G562 N563 L564	Q542-Y560 WeakPolarHBondContact CG-OH 3.34Å; Q542-Y560 PolarHBondContact NE2-OH 3.37Å; Y549-Y560 VanDerWaalsContact CD2-CA 3.5Å; Y560-G562 PolarHBondContact O-N 2.78Å; Y560-N563 WeakPolarHBondContact O-CB 3.39Å; Y560-N563 PolarHBondContact O-N 3.18Å; Y560-L564 PolarHBondContact O-N 3.43Å
561	K	77.8	Confident	79.5	Confident	156 Å²	156	68.6 Å²	68.6	68%	0.678	36%	0.357	S	S	*	.	H	α-helix	trans	-53.6	-40.1	173.9	-168.9	175.5	-179.2	178.4	0	112.3	Y549 N563 L564 A565	Y549-K561 HydrophobicContact CD1-CB 4.01Å; Y549-K561 HydrophobicContact CD1-CG 4.45Å; Y549-K561 VanDerWaalsContact CD2-N 3.33Å; Y549-K561 HydrophobicContact CE1-CB 3.76Å; Y549-K561 HydrophobicContact CE1-CG 4.33Å; Y549-K561 HydrophobicContact CE2-CB 4.49Å; Y549-K561 HydrophobicContact CG-CB 4.48Å; K561-N563 PolarHBondContact O-N 3.1Å; K561-L564 PolarHBondContact O-N 3.05Å; K561-A565 WeakPolarHBondContact O-CB 3.32Å; K561-A565 PolarHBondContact O-N 3.17Å
562	G	78.1	Confident	79.2	Confident	44 Å²	44	72 Å²	72	45%	0.454	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-30.7	175.7	0	0	0	0	0	114.3	Y560 S566	Y560-G562 PolarHBondContact O-N 2.78Å; G562-S566 VanDerWaalsContact O-CB 3.24Å; G562-S566 WeakPolarHBondContact O-CB 3.49Å; G562-S566 PolarHBondContact O-N 3.39Å; G562-S566 PolarHBondContact O-OG 3.18Å
563	N	80.6	Confident	79.2	Confident	66 Å²	66	68.9 Å²	68.9	35%	0.353	37%	0.373	S	S	.	.	H	α-helix	trans	-74.5	-39.4	174.1	-78.7	3.1	0	0	0	111.5	F558 Y560 K561 S566 H567	F558-N563 HydrophobicContact CB-CB 4.22Å; F558-N563 HydrophobicContact CD1-CB 4.15Å; F558-N563 HydrophobicContact CG-CB 4.44Å; Y560-N563 WeakPolarHBondContact O-CB 3.39Å; Y560-N563 PolarHBondContact O-N 3.18Å; K561-N563 PolarHBondContact O-N 3.1Å; N563-S566 CarbonylContact O-C 3.59Å; N563-S566 PolarHBondContact O-N 2.93Å; N563-H567 VanDerWaalsContact O-CB 3.3Å; N563-H567 WeakPolarHBondContact O-CB 3.45Å; N563-H567 PolarHBondContact O-N 2.92Å; N563-H567 VanDerWaalsContact O-N 3.1Å
564	L	81.9	Confident	79.2	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-47	171.3	173.8	61.4	0	0	0	111	K550 C551 F558 Y560 K561 S566 H567 K568	K550-L564 WeakPolarHBondContact O-CD2 3.37Å; C551-L564 HydrophobicContact CB-CD1 3.67Å; F558-L564 HydrophobicContact CB-CB 4.39Å; F558-L564 HydrophobicContact CD2-CB 4.13Å; F558-L564 HydrophobicContact CD2-CD1 3.93Å; F558-L564 HydrophobicContact CE2-CD1 4.23Å; F558-L564 HydrophobicContact CG-CB 4.47Å; Y560-L564 PolarHBondContact O-N 3.43Å; K561-L564 PolarHBondContact O-N 3.05Å; L564-S566 PolarHBondContact O-N 2.82Å; L564-H567 CarbonylContact O-C 3.21Å; L564-H567 WeakPolarHBondContact O-CA 3.36Å; L564-H567 WeakPolarHBondContact O-CB 3.33Å; L564-H567 PolarHBondContact O-N 3.44Å; L564-K568 HydrophobicContact CD1-CG 4.13Å; L564-K568 HydrophobicContact CG-CG 4.43Å; L564-K568 PolarHBondContact O-N 3.12Å
565	A	79.6	Confident	79.2	Confident	56 Å²	56	68.4 Å²	68.4	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-57.6	-49.5	175.5	0	0	0	0	0	111.4	K561 H567 K568 T569	K561-A565 WeakPolarHBondContact O-CB 3.32Å; K561-A565 PolarHBondContact O-N 3.17Å; A565-H567 PolarHBondContact O-N 2.66Å; A565-K568 PolarHBondContact O-N 3.13Å; A565-T569 PolarHBondContact O-N 2.84Å
566	S	80.3	Confident	79.3	Confident	33 Å²	33	66.6 Å²	66.6	23%	0.231	37%	0.37	C	S	.	.	H	α-helix	trans	-68.6	6.4	174.2	-52.8	0	0	0	0	114.9	G562 N563 L564 R588	G562-S566 VanDerWaalsContact O-CB 3.24Å; G562-S566 WeakPolarHBondContact O-CB 3.49Å; G562-S566 PolarHBondContact O-N 3.39Å; G562-S566 PolarHBondContact O-OG 3.18Å; N563-S566 CarbonylContact O-C 3.59Å; N563-S566 PolarHBondContact O-N 2.93Å; L564-S566 PolarHBondContact O-N 2.82Å; S566-R588 PolarHBondContact O-NE 3.33Å; S566-R588 PolarHBondContact O-NH2 3.04Å; S566-R588 VanDerWaalsContact O-NH2 3.11Å
567	H	82.4	Confident	79.5	Confident	28 Å²	28	69.4 Å²	69.4	13%	0.13	37%	0.374	C	S	.	.	H	α-helix	trans	-117.4	-34.1	172.7	165.9	74.5	0	0	0	111.2	C551 C554 F558 N563 L564 A565 T569 V570 H571	C551-H567 VanDerWaalsContact SG-CD2 3.59Å; C551-H567 PolarHBondContact SG-NE2 3Å; C554-H567 PolarHBondContact SG-NE2 3.48Å; F558-H567 HydrophobicContact CE1-CB 4.16Å; F558-H567 HydrophobicContact CE2-CB 3.98Å; F558-H567 AromaticContact CE2-CD2 3.22Å; F558-H567 WeakPolarHBondContact CE2-CD2 3.41Å; F558-H567 AromaticContact CE2-CG 3.56Å; F558-H567 AromaticContact CE2-NE2 3.74Å; F558-H567 HydrophobicContact CZ-CB 3.66Å; F558-H567 AromaticContact CZ-CD2 3.42Å; F558-H567 VanDerWaalsContact CZ-CD2 3.42Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.49Å; F558-H567 AromaticContact CZ-CE1 3.94Å; F558-H567 AromaticContact CZ-CG 3.26Å; F558-H567 AromaticContact CZ-ND1 3.63Å; F558-H567 AromaticContact CZ-NE2 3.82Å; N563-H567 VanDerWaalsContact O-CB 3.3Å; N563-H567 WeakPolarHBondContact O-CB 3.45Å; N563-H567 PolarHBondContact O-N 2.92Å; N563-H567 VanDerWaalsContact O-N 3.1Å; L564-H567 CarbonylContact O-C 3.21Å; L564-H567 WeakPolarHBondContact O-CA 3.36Å; L564-H567 WeakPolarHBondContact O-CB 3.33Å; L564-H567 PolarHBondContact O-N 3.44Å; A565-H567 PolarHBondContact O-N 2.66Å; H567-T569 PolarHBondContact O-N 2.95Å; H567-V570 WeakPolarHBondContact O-CA 3.37Å; H567-V570 WeakPolarHBondContact O-CB 3.1Å; H567-V570 PolarHBondContact O-N 2.87Å; H567-H571 AromaticContact CE1-NE2 3.65Å; H567-H571 AromaticContact NE2-CD2 3.82Å; H567-H571 AromaticContact NE2-NE2 3.38Å; H567-H571 PolarHBondContact NE2-NE2 3.36Å
568	K	80.6	Confident	79.8	Confident	74 Å²	74	74.1 Å²	74.1	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-57.4	-33.1	169.5	-66.3	-160.6	-176.6	-159.3	0	111.3	D552 L564 A565 V570 H571 T572	D552-K568 IonicContact OD1-NZ 3.78Å; D552-K568 PolarHBondContact OD1-NZ 2.98Å; D552-K568 WeakPolarHBondContact OD2-CE 3.13Å; D552-K568 IonicContact OD2-NZ 2.73Å; D552-K568 PolarHBondContact OD2-NZ 3.16Å; L564-K568 HydrophobicContact CD1-CG 4.13Å; L564-K568 HydrophobicContact CG-CG 4.43Å; L564-K568 PolarHBondContact O-N 3.12Å; A565-K568 PolarHBondContact O-N 3.13Å; K568-V570 PolarHBondContact O-N 3.32Å; K568-V570 VanDerWaalsContact O-N 3.12Å; K568-H571 PolarHBondContact O-N 3.08Å; K568-T572 PolarHBondContact O-N 3.18Å; K568-T572 VanDerWaalsContact O-N 3.11Å; K568-T572 PolarHBondContact O-OG1 3.29Å
569	T	80.4	Confident	80.1	Confident	24 Å²	24	72.1 Å²	72.1	15%	0.147	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-20.5	170.2	65	0	0	0	0	114.7	A565 H567 T572 G573 E574	A565-T569 PolarHBondContact O-N 2.84Å; H567-T569 PolarHBondContact O-N 2.95Å; T569-T572 WeakPolarHBondContact CA-OG1 3.32Å; T569-G573 CarbonylContact O-C 3.24Å; T569-G573 WeakPolarHBondContact O-CA 3.47Å; T569-G573 PolarHBondContact O-N 3.17Å; T569-E574 PolarHBondContact O-N 3.38Å
570	V	79.8	Confident	80.7	Confident	88 Å²	88	75.1 Å²	75.1	53%	0.533	40%	0.399	S	S	.	.	H	α-helix	trans	-76.8	-29.6	174.6	-175.1	0	0	0	0	110.7	H567 K568	H567-V570 WeakPolarHBondContact O-CA 3.37Å; H567-V570 WeakPolarHBondContact O-CB 3.1Å; H567-V570 PolarHBondContact O-N 2.87Å; K568-V570 PolarHBondContact O-N 3.32Å; K568-V570 VanDerWaalsContact O-N 3.12Å
571	H	79.3	Confident	81	Confident	65 Å²	65	76.2 Å²	76.2	30%	0.301	41%	0.41	S	S	.	.	H	α-helix	trans	-86.3	-23.8	177	-69.4	-65.3	0	0	0	114.3	R553 C554 H567 K568	R553-H571 PolarHBondContact NH1-O 3.17Å; C554-H571 PolarHBondContact SG-NE2 2.99Å; H567-H571 AromaticContact CE1-NE2 3.65Å; H567-H571 AromaticContact NE2-CD2 3.82Å; H567-H571 AromaticContact NE2-NE2 3.38Å; H567-H571 PolarHBondContact NE2-NE2 3.36Å; K568-H571 PolarHBondContact O-N 3.08Å
572	T	77.7	Confident	81.3	Confident	72 Å²	72	72 Å²	72	44%	0.442	40%	0.399	S	S	.	.	H	α-helix	trans	-90.8	-17.6	171.1	57	0	0	0	0	112.3	K568 T569 E574	K568-T572 PolarHBondContact O-N 3.18Å; K568-T572 VanDerWaalsContact O-N 3.11Å; K568-T572 PolarHBondContact O-OG1 3.29Å; T569-T572 WeakPolarHBondContact CA-OG1 3.32Å; T572-E574 WeakPolarHBondContact CB-OE2 3.25Å; T572-E574 PolarHBondContact O-N 3.37Å; T572-E574 WeakPolarHBondContact OG1-CB 3.22Å; T572-E574 VanDerWaalsContact OG1-CD 3.22Å; T572-E574 VanDerWaalsContact OG1-CG 3.32Å; T572-E574 WeakPolarHBondContact OG1-CG 3.3Å; T572-E574 PolarHBondContact OG1-N 2.7Å; T572-E574 PolarHBondContact OG1-OE2 2.75Å
573	G	78.1	Confident	81.6	Confident	49 Å²	49	71.6 Å²	71.6	51%	0.505	40%	0.396	S	S	.	.			trans	76.1	0.2	-174.2	0	0	0	0	0	114.1	T569	T569-G573 CarbonylContact O-C 3.24Å; T569-G573 WeakPolarHBondContact O-CA 3.47Å; T569-G573 PolarHBondContact O-N 3.17Å
574	E	78	Confident	81.8	Confident	113 Å²	113	70.1 Å²	70.1	53%	0.528	39%	0.392	S	S	.	.			trans	-62.8	133.6	-175.7	-69.2	164	138.2	0	0	112.1	T569 T572	T569-E574 PolarHBondContact O-N 3.38Å; T572-E574 WeakPolarHBondContact CB-OE2 3.25Å; T572-E574 PolarHBondContact O-N 3.37Å; T572-E574 WeakPolarHBondContact OG1-CB 3.22Å; T572-E574 VanDerWaalsContact OG1-CD 3.22Å; T572-E574 VanDerWaalsContact OG1-CG 3.32Å; T572-E574 WeakPolarHBondContact OG1-CG 3.3Å; T572-E574 PolarHBondContact OG1-N 2.7Å; T572-E574 PolarHBondContact OG1-OE2 2.75Å
575	K	81.1	Confident	82	Confident	111 Å²	111	73.6 Å²	73.6	48%	0.483	41%	0.408	S	S	.	.			trans	-133.9	72.4	-178.5	-68.2	163.9	175.1	-178.9	0	109.6	Y577 Q585 F586	K575-Y577 PolarHBondContact O-N 2.89Å; K575-Q585 HydrophobicContact CB-CB 3.52Å; K575-Q585 HydrophobicContact CD-CB 4.12Å; K575-Q585 HydrophobicContact CG-CB 4.45Å; K575-F586 CarbonylContact C-O 3.13Å; K575-F586 VanDerWaalsContact CA-O 3.26Å; K575-F586 WeakPolarHBondContact CA-O 3.14Å
576	P	79.6	Confident	82.3	Confident	91 Å²	91	73 Å²	73	59%	0.591	40%	0.395	S	S	*	.			trans	-64.4	-21.5	-172.4	24	-33.4	0	0	0	113.7	R578	P576-R578 PolarHBondContact O-N 3.26Å
577	Y	82.9	Confident	82.4	Confident	95 Å²	95	73.4 Å²	73.4	37%	0.373	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	89	-176.8	-54.8	-74.3	0	0	0	111.3	K575 F586 R588 P589	K575-Y577 PolarHBondContact O-N 2.89Å; Y577-F586 WeakPolarHBondContact CB-O 3.47Å; Y577-F586 WeakPolarHBondContact CD2-O 3.48Å; Y577-F586 PolarHBondContact N-O 3.2Å; Y577-F586 VanDerWaalsContact N-O 3.11Å; Y577-F586 PolarHBondContact O-N 3.16Å; Y577-R588 VanDerWaalsContact CD2-C 3.41Å; Y577-P589 HydrophobicContact CD1-CB 3.99Å; Y577-P589 HydrophobicContact CE1-CB 3.8Å; Y577-P589 HydrophobicContact CE1-CG 4.25Å; Y577-P589 HydrophobicContact CE2-CG 4.44Å; Y577-P589 HydrophobicContact CG-CB 4.43Å
578	R	85.8	Confident	82.3	Confident	142 Å²	142	76.1 Å²	76.1	54%	0.536	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.9	173.4	-179.2	169.2	-75.1	-167.5	2	111.6	P576 Q585 L592	P576-R578 PolarHBondContact O-N 3.26Å; R578-Q585 HydrophobicContact CB-CG 4.18Å; R578-Q585 HydrophobicContact CG-CG 4.35Å; R578-L592 WeakPolarHBondContact O-CD2 3.48Å
579	C	87.8	Confident	82.4	Confident	1 Å²	1	76 Å²	76	1%	0.007	41%	0.41	C	S	.	.			trans	-85.6	119	166.7	-178.2	0	0	0	0	110.3	I581 G583 A584 F586 L592 H595	C579-I581 PolarHBondContact O-N 2.88Å; C579-G583 VanDerWaalsContact O-CA 3.31Å; C579-G583 WeakPolarHBondContact O-CA 2.99Å; C579-G583 PolarHBondContact O-N 3.43Å; C579-A584 HydrophobicContact CB-CB 4.4Å; C579-A584 VanDerWaalsContact CB-O 3.3Å; C579-A584 WeakPolarHBondContact CB-O 3.44Å; C579-A584 PolarHBondContact N-O 3.35Å; C579-F586 HydrophobicContact CB-CE2 4.24Å; C579-L592 HydrophobicContact CB-CD1 3.63Å; C579-H595 VanDerWaalsContact SG-CD2 3.52Å; C579-H595 PolarHBondContact SG-NE2 3.04Å; C579-H595 VanDerWaalsContact SG-NE2 3.37Å
580	N	84.6	Confident	82.5	Confident	157 Å²	157	77.9 Å²	77.9	84%	0.84	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	-176.7	-61.4	-0.4	0	0	0	113.6
581	I	84.9	Confident	82.8	Confident	116 Å²	116	76.7 Å²	76.7	60%	0.595	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-32.9	-174.8	-58.4	172.3	0	0	0	112.2	C579 H599	C579-I581 PolarHBondContact O-N 2.88Å; I581-H599 HydrophobicContact CD1-CB 3.56Å; I581-H599 HydrophobicContact CG2-CB 4.15Å
582	C	84.5	Confident	83.1	Confident	67 Å²	67	75.1 Å²	75.1	45%	0.453	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	13.8	-174.4	73.8	0	0	0	0	114.4	A584 H595 H599	C582-A584 PolarHBondContact O-N 3.48Å; C582-A584 VanDerWaalsContact SG-CB 3.59Å; C582-H595 PolarHBondContact SG-NE2 2.79Å; C582-H599 PolarHBondContact SG-NE2 3.42Å; C582-H599 VanDerWaalsContact SG-NE2 3.4Å
583	G	84	Confident	83.5	Confident	37 Å²	37	78.7 Å²	78.7	38%	0.381	42%	0.423	S	S	.	.			trans	68.4	-11.2	179.4	0	0	0	0	0	116.2	C579 Q585	C579-G583 VanDerWaalsContact O-CA 3.31Å; C579-G583 WeakPolarHBondContact O-CA 2.99Å; C579-G583 PolarHBondContact O-N 3.43Å; G583-Q585 PolarHBondContact O-N 3.17Å
584	A	85.4	Confident	83.8	Confident	34 Å²	34	78.3 Å²	78.3	28%	0.281	41%	0.41	S	S	.	.			trans	-58.3	129.2	-175.6	0	0	0	0	0	111.9	C579 C582 F586	C579-A584 HydrophobicContact CB-CB 4.4Å; C579-A584 VanDerWaalsContact CB-O 3.3Å; C579-A584 WeakPolarHBondContact CB-O 3.44Å; C579-A584 PolarHBondContact N-O 3.35Å; C582-A584 PolarHBondContact O-N 3.48Å; C582-A584 VanDerWaalsContact SG-CB 3.59Å; A584-F586 HydrophobicContact CB-CE2 3.88Å; A584-F586 HydrophobicContact CB-CZ 4.04Å; A584-F586 VanDerWaalsContact O-CE2 3.32Å; A584-F586 WeakPolarHBondContact O-CE2 3.46Å
585	Q	86.1	Confident	84.2	Confident	93 Å²	93	74.3 Å²	74.3	44%	0.435	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.8	-174.9	-64	176.9	-53.8	0	0	112.2	K575 R578 G583	K575-Q585 HydrophobicContact CB-CB 3.52Å; K575-Q585 HydrophobicContact CD-CB 4.12Å; K575-Q585 HydrophobicContact CG-CB 4.45Å; R578-Q585 HydrophobicContact CB-CG 4.18Å; R578-Q585 HydrophobicContact CG-CG 4.35Å; G583-Q585 PolarHBondContact O-N 3.17Å
586	F	84.3	Confident	84.4	Confident	44 Å²	44	71.3 Å²	71.3	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.1	-176.8	-59.1	-86.8	0	0	0	112	K575 Y577 C579 A584 N591 L592 H595	K575-F586 CarbonylContact C-O 3.13Å; K575-F586 VanDerWaalsContact CA-O 3.26Å; K575-F586 WeakPolarHBondContact CA-O 3.14Å; Y577-F586 WeakPolarHBondContact CB-O 3.47Å; Y577-F586 WeakPolarHBondContact CD2-O 3.48Å; Y577-F586 PolarHBondContact N-O 3.2Å; Y577-F586 VanDerWaalsContact N-O 3.11Å; Y577-F586 PolarHBondContact O-N 3.16Å; C579-F586 HydrophobicContact CB-CE2 4.24Å; A584-F586 HydrophobicContact CB-CE2 3.88Å; A584-F586 HydrophobicContact CB-CZ 4.04Å; A584-F586 VanDerWaalsContact O-CE2 3.32Å; A584-F586 WeakPolarHBondContact O-CE2 3.46Å; F586-N591 HydrophobicContact CB-CB 4.21Å; F586-N591 HydrophobicContact CD1-CB 4.07Å; F586-N591 HydrophobicContact CG-CB 4.41Å; F586-L592 HydrophobicContact CB-CB 4.34Å; F586-L592 HydrophobicContact CD2-CB 4.04Å; F586-L592 HydrophobicContact CD2-CD1 3.88Å; F586-L592 HydrophobicContact CE2-CD1 4.11Å; F586-L592 HydrophobicContact CG-CB 4.35Å; F586-H595 HydrophobicContact CE1-CB 4.04Å; F586-H595 HydrophobicContact CE2-CB 3.97Å; F586-H595 AromaticContact CE2-CD2 3.42Å; F586-H595 VanDerWaalsContact CE2-CD2 3.42Å; F586-H595 WeakPolarHBondContact CE2-CD2 3.26Å; F586-H595 AromaticContact CE2-CG 3.62Å; F586-H595 HydrophobicContact CZ-CB 3.56Å; F586-H595 AromaticContact CZ-CD2 3.54Å; F586-H595 AromaticContact CZ-CG 3.25Å; F586-H595 AromaticContact CZ-ND1 3.6Å
587	N	82.3	Confident	84.8	Confident	41 Å²	41	69.1 Å²	69.1	22%	0.219	36%	0.363	C	S	.	.	S	Bend	trans	-86.8	-7.2	178.2	64.2	-19.8	0	0	0	114.2	N591	N587-N591 PolarHBondContact OD1-ND2 3.24Å
588	R	81.8	Confident	84.8	Confident	84 Å²	84	70 Å²	70	32%	0.317	37%	0.372	S	S	.	.	S	Bend	trans	-142.7	144.4	-179.6	-62.4	-177.6	-177.1	-169.8	-5.8	110.8	S566 Y577 A590 N591 L592	S566-R588 PolarHBondContact O-NE 3.33Å; S566-R588 PolarHBondContact O-NH2 3.04Å; S566-R588 VanDerWaalsContact O-NH2 3.11Å; Y577-R588 VanDerWaalsContact CD2-C 3.41Å; R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 2.63Å; R588-N591 HydrophobicContact CB-CB 4.27Å; R588-N591 WeakPolarHBondContact O-CB 3.47Å; R588-N591 PolarHBondContact O-N 2.73Å; R588-L592 PolarHBondContact O-N 2.89Å
589	P	81.8	Confident	84.7	Confident	71 Å²	71	66.7 Å²	66.7	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-69.2	-32.9	-179.5	28.3	-32.3	0	0	0	111.5	Y577 N591 L592 K593	Y577-P589 HydrophobicContact CD1-CB 3.99Å; Y577-P589 HydrophobicContact CE1-CB 3.8Å; Y577-P589 HydrophobicContact CE1-CG 4.25Å; Y577-P589 HydrophobicContact CE2-CG 4.44Å; Y577-P589 HydrophobicContact CG-CB 4.43Å; P589-N591 VanDerWaalsContact C-N 3.33Å; P589-N591 PolarHBondContact O-N 2.97Å; P589-L592 PolarHBondContact O-N 2.76Å; P589-K593 PolarHBondContact O-N 2.9Å
590	A	83.4	Confident	84.5	Confident	64 Å²	64	69.8 Å²	69.8	53%	0.529	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-39.9	172.9	0	0	0	0	0	112.2	R588 K593 T594	R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 2.63Å; A590-K593 PolarHBondContact O-N 3.12Å; A590-T594 WeakPolarHBondContact O-CG2 3.36Å; A590-T594 PolarHBondContact O-N 3.03Å; A590-T594 PolarHBondContact O-OG1 3.23Å
591	N	85.1	Confident	84.4	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-47.1	177.1	-68.4	-5.9	0	0	0	110.1	F586 N587 R588 P589 K593 T594 H595	F586-N591 HydrophobicContact CB-CB 4.21Å; F586-N591 HydrophobicContact CD1-CB 4.07Å; F586-N591 HydrophobicContact CG-CB 4.41Å; N587-N591 PolarHBondContact OD1-ND2 3.24Å; R588-N591 HydrophobicContact CB-CB 4.27Å; R588-N591 WeakPolarHBondContact O-CB 3.47Å; R588-N591 PolarHBondContact O-N 2.73Å; P589-N591 VanDerWaalsContact C-N 3.33Å; P589-N591 PolarHBondContact O-N 2.97Å; N591-K593 PolarHBondContact O-N 3.02Å; N591-T594 PolarHBondContact O-N 2.05Å; N591-T594 PolarHBondContact O-OG1 3.41Å; N591-H595 PolarHBondContact O-N 3.3Å
592	L	86.8	Confident	84.4	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.173	36%	0.361	C	S	.	.	H	α-helix	trans	-56.6	-47.8	172.8	174.6	59.9	0	0	0	111.6	R578 C579 F586 R588 P589 T594 H595 T596	R578-L592 WeakPolarHBondContact O-CD2 3.48Å; C579-L592 HydrophobicContact CB-CD1 3.63Å; F586-L592 HydrophobicContact CB-CB 4.34Å; F586-L592 HydrophobicContact CD2-CB 4.04Å; F586-L592 HydrophobicContact CD2-CD1 3.88Å; F586-L592 HydrophobicContact CE2-CD1 4.11Å; F586-L592 HydrophobicContact CG-CB 4.35Å; R588-L592 PolarHBondContact O-N 2.89Å; P589-L592 PolarHBondContact O-N 2.76Å; L592-T594 VanDerWaalsContact C-N 3.29Å; L592-T594 PolarHBondContact O-N 3.45Å; L592-H595 CarbonylContact O-C 3.34Å; L592-H595 WeakPolarHBondContact O-CA 3.5Å; L592-H595 WeakPolarHBondContact O-CB 3.33Å; L592-H595 PolarHBondContact O-N 3.2Å; L592-T596 HydrophobicContact CD1-CG2 3.99Å; L592-T596 HydrophobicContact CG-CG2 4.39Å; L592-T596 PolarHBondContact O-N 3.26Å; L592-T596 PolarHBondContact O-OG1 2.98Å
593	K	84.9	Confident	84.5	Confident	147 Å²	147	65.4 Å²	65.4	64%	0.639	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-28.9	178.5	-170.8	170.3	-177	173.1	0	113.5	P589 A590 N591 T596	P589-K593 PolarHBondContact O-N 2.9Å; A590-K593 PolarHBondContact O-N 3.12Å; N591-K593 PolarHBondContact O-N 3.02Å; K593-T596 PolarHBondContact O-OG1 3.28Å
594	T	85.1	Confident	84.6	Confident	41 Å²	41	66.3 Å²	66.3	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-78.9	-23.3	170.3	62.5	0	0	0	0	113.5	A590 N591 L592 V615 Q616	A590-T594 WeakPolarHBondContact O-CG2 3.36Å; A590-T594 PolarHBondContact O-N 3.03Å; A590-T594 PolarHBondContact O-OG1 3.23Å; N591-T594 PolarHBondContact O-N 2.05Å; N591-T594 PolarHBondContact O-OG1 3.41Å; L592-T594 VanDerWaalsContact C-N 3.29Å; L592-T594 PolarHBondContact O-N 3.45Å; T594-V615 WeakPolarHBondContact O-CG1 3.42Å; T594-Q616 HydrophobicContact CG2-CG 4.4Å
595	H	86.5	Confident	84.7	Confident	28 Å²	28	68.5 Å²	68.5	13%	0.13	36%	0.361	C	S	.	.	H	α-helix	trans	-82.1	-36.8	176.1	167.4	78.1	0	0	0	112.5	C579 C582 F586 N591 L592 R597 I598 H599	C579-H595 VanDerWaalsContact SG-CD2 3.52Å; C579-H595 PolarHBondContact SG-NE2 3.04Å; C579-H595 VanDerWaalsContact SG-NE2 3.37Å; C582-H595 PolarHBondContact SG-NE2 2.79Å; F586-H595 HydrophobicContact CE1-CB 4.04Å; F586-H595 HydrophobicContact CE2-CB 3.97Å; F586-H595 AromaticContact CE2-CD2 3.42Å; F586-H595 VanDerWaalsContact CE2-CD2 3.42Å; F586-H595 WeakPolarHBondContact CE2-CD2 3.26Å; F586-H595 AromaticContact CE2-CG 3.62Å; F586-H595 HydrophobicContact CZ-CB 3.56Å; F586-H595 AromaticContact CZ-CD2 3.54Å; F586-H595 AromaticContact CZ-CG 3.25Å; F586-H595 AromaticContact CZ-ND1 3.6Å; N591-H595 PolarHBondContact O-N 3.3Å; L592-H595 CarbonylContact O-C 3.34Å; L592-H595 WeakPolarHBondContact O-CA 3.5Å; L592-H595 WeakPolarHBondContact O-CB 3.33Å; L592-H595 PolarHBondContact O-N 3.2Å; H595-R597 PolarHBondContact O-N 3.39Å; H595-I598 VanDerWaalsContact O-CB 3.23Å; H595-I598 WeakPolarHBondContact O-CB 3.45Å; H595-I598 WeakPolarHBondContact O-CG1 2.97Å; H595-I598 PolarHBondContact O-N 2.87Å; H595-H599 AromaticContact CD2-NE2 3.89Å; H595-H599 AromaticContact CE1-NE2 3.45Å; H595-H599 PolarHBondContact CE1-NE2 2.46Å; H595-H599 AromaticContact NE2-CD2 3.79Å; H595-H599 AromaticContact NE2-NE2 3.03Å; H595-H599 PolarHBondContact NE2-NE2 3.01Å
596	T	85.3	Confident	84.8	Confident	49 Å²	49	69.9 Å²	69.9	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-30.6	176.5	50.9	0	0	0	0	112.5	L592 K593 I598 H599 S600	L592-T596 HydrophobicContact CD1-CG2 3.99Å; L592-T596 HydrophobicContact CG-CG2 4.39Å; L592-T596 PolarHBondContact O-N 3.26Å; L592-T596 PolarHBondContact O-OG1 2.98Å; K593-T596 PolarHBondContact O-OG1 3.28Å; T596-I598 PolarHBondContact O-N 2.89Å; T596-H599 WeakPolarHBondContact O-CB 3.5Å; T596-H599 PolarHBondContact O-N 2.05Å; T596-S600 PolarHBondContact O-N 2.79Å
597	R	86.8	Confident	85.1	Confident	44 Å²	44	67.9 Å²	67.9	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-59.5	-20	170.5	-68.7	-174.9	173.3	160.2	1.7	115.1	H595 H599 S600 G601 E602 V615	H595-R597 PolarHBondContact O-N 3.39Å; R597-H599 VanDerWaalsContact C-N 3.34Å; R597-S600 WeakPolarHBondContact CA-OG 3.46Å; R597-G601 CarbonylContact O-C 3.55Å; R597-G601 WeakPolarHBondContact O-CA 3.3Å; R597-G601 PolarHBondContact O-N 3.05Å; R597-G601 VanDerWaalsContact O-N 3.08Å; R597-E602 HydrophobicContact CB-CB 3.98Å; R597-E602 HydrophobicContact CG-CB 3.79Å; R597-E602 IonicContact NE-OE2 2.8Å; R597-E602 PolarHBondContact O-N 2.88Å; R597-V615 HydrophobicContact CB-CG1 3.59Å; R597-V615 HydrophobicContact CG-CG1 4.34Å; R597-V615 PolarHBondContact NH1-O 3.44Å
598	I	84.3	Confident	85.4	Confident	113 Å²	113	74.5 Å²	74.5	58%	0.579	39%	0.387	S	S	*	.	H	α-helix	trans	-70.6	-37.2	172.6	-56.3	176.2	0	0	0	109.6	H595 T596	H595-I598 VanDerWaalsContact O-CB 3.23Å; H595-I598 WeakPolarHBondContact O-CB 3.45Å; H595-I598 WeakPolarHBondContact O-CG1 2.97Å; H595-I598 PolarHBondContact O-N 2.87Å; T596-I598 PolarHBondContact O-N 2.89Å
599	H	82.9	Confident	85.5	Confident	73 Å²	73	75.2 Å²	75.2	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-80.7	-38.8	179.1	-56.6	-62.7	0	0	0	112.8	I581 C582 H595 T596 R597 G601	I581-H599 HydrophobicContact CD1-CB 3.56Å; I581-H599 HydrophobicContact CG2-CB 4.15Å; C582-H599 PolarHBondContact SG-NE2 3.42Å; C582-H599 VanDerWaalsContact SG-NE2 3.4Å; H595-H599 AromaticContact CD2-NE2 3.89Å; H595-H599 AromaticContact CE1-NE2 3.45Å; H595-H599 PolarHBondContact CE1-NE2 2.46Å; H595-H599 AromaticContact NE2-CD2 3.79Å; H595-H599 AromaticContact NE2-NE2 3.03Å; H595-H599 PolarHBondContact NE2-NE2 3.01Å; T596-H599 WeakPolarHBondContact O-CB 3.5Å; T596-H599 PolarHBondContact O-N 2.05Å; R597-H599 VanDerWaalsContact C-N 3.34Å; H599-G601 VanDerWaalsContact C-N 3.27Å; H599-G601 PolarHBondContact O-N 3.44Å
600	S	83.1	Confident	85.7	Confident	67 Å²	67	74.7 Å²	74.7	47%	0.469	40%	0.398	S	S	.	.	S	Bend	trans	-79	-7.3	174.2	64.9	0	0	0	0	113.9	T596 R597 E602	T596-S600 PolarHBondContact O-N 2.79Å; R597-S600 WeakPolarHBondContact CA-OG 3.46Å; S600-E602 WeakPolarHBondContact CB-OE1 3.43Å; S600-E602 PolarHBondContact O-N 3.35Å; S600-E602 VanDerWaalsContact O-N 3.16Å; S600-E602 VanDerWaalsContact OG-CD 3.3Å; S600-E602 WeakPolarHBondContact OG-CG 3.35Å; S600-E602 PolarHBondContact OG-OE1 3.14Å
601	G	82.7	Confident	85.8	Confident	45 Å²	45	73.2 Å²	73.2	46%	0.464	39%	0.39	S	S	.	.			trans	69.8	1.8	-176.1	0	0	0	0	0	114.9	R597 H599 K603	R597-G601 CarbonylContact O-C 3.55Å; R597-G601 WeakPolarHBondContact O-CA 3.3Å; R597-G601 PolarHBondContact O-N 3.05Å; R597-G601 VanDerWaalsContact O-N 3.08Å; H599-G601 VanDerWaalsContact C-N 3.27Å; H599-G601 PolarHBondContact O-N 3.44Å; G601-K603 PolarHBondContact O-N 2.81Å
602	E	84.6	Confident	85.9	Confident	99 Å²	99	71.9 Å²	71.9	46%	0.463	39%	0.387	S	S	.	.			trans	-55.2	115.1	-178.9	-86.1	169.8	-110.2	0	0	112.6	R597 S600 P604	R597-E602 HydrophobicContact CB-CB 3.98Å; R597-E602 HydrophobicContact CG-CB 3.79Å; R597-E602 IonicContact NE-OE2 2.8Å; R597-E602 PolarHBondContact O-N 2.88Å; S600-E602 WeakPolarHBondContact CB-OE1 3.43Å; S600-E602 PolarHBondContact O-N 3.35Å; S600-E602 VanDerWaalsContact O-N 3.16Å; S600-E602 VanDerWaalsContact OG-CD 3.3Å; S600-E602 WeakPolarHBondContact OG-CG 3.35Å; S600-E602 PolarHBondContact OG-OE1 3.14Å; E602-P604 WeakPolarHBondContact O-CD 3.26Å
603	K	86.4	Confident	85.9	Confident	104 Å²	104	77.5 Å²	77.5	45%	0.452	41%	0.406	S	S	.	.			trans	-123.2	82.7	173.8	-67.6	159.3	-178.3	175.9	0	109.1	G601 Y605 R613 F614 V615	G601-K603 PolarHBondContact O-N 2.81Å; K603-Y605 VanDerWaalsContact C-N 3.32Å; K603-Y605 PolarHBondContact O-N 3.35Å; K603-R613 HydrophobicContact CB-CB 3.51Å; K603-R613 HydrophobicContact CD-CB 4.25Å; K603-R613 HydrophobicContact CG-CB 4.43Å; K603-R613 PolarHBondContact O-NE 3.08Å; K603-R613 PolarHBondContact O-NH2 3.02Å; K603-F614 CarbonylContact C-O 3.5Å; K603-F614 WeakPolarHBondContact CA-O 3.43Å; K603-V615 HydrophobicContact CG-CG2 3.96Å
604	P	86.1	Confident	86	Confident	56 Å²	56	72.5 Å²	72.5	36%	0.364	38%	0.384	S	S	.	.			trans	-64.9	-35.2	-173.9	-22.5	34.5	0	0	0	113	E602 K606	E602-P604 WeakPolarHBondContact O-CD 3.26Å; P604-K606 PolarHBondContact O-N 2.15Å
605	Y	88.5	Confident	86.1	Confident	79 Å²	79	71.8 Å²	71.8	31%	0.31	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	106.5	-169.6	-50.2	-70.6	0	0	0	110.3	K603 R613 F614 V615 Q616 V617	K603-Y605 VanDerWaalsContact C-N 3.32Å; K603-Y605 PolarHBondContact O-N 3.35Å; Y605-R613 CarbonylContact O-C 3.24Å; Y605-R613 WeakPolarHBondContact O-CA 3.42Å; Y605-F614 WeakPolarHBondContact CD2-O 3.42Å; Y605-F614 PolarHBondContact N-O 3.44Å; Y605-F614 PolarHBondContact O-N 2.63Å; Y605-V615 WeakPolarHBondContact CE2-O 3.47Å; Y605-Q616 VanDerWaalsContact CD2-C 3.46Å; Y605-V617 HydrophobicContact CD1-CG2 3.67Å; Y605-V617 HydrophobicContact CD2-CG2 4.32Å; Y605-V617 HydrophobicContact CE1-CG2 3.34Å; Y605-V617 HydrophobicContact CE2-CG2 4.04Å; Y605-V617 HydrophobicContact CG-CG2 4.14Å
606	K	87.8	Confident	86.1	Confident	122 Å²	122	73.6 Å²	73.6	53%	0.53	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.3	175.7	-174.7	-169.1	171.2	-164.6	0	109.6	P604 A612 R613 L620	P604-K606 PolarHBondContact O-N 2.15Å; K606-A612 CarbonylContact C-O 3.56Å; K606-R613 HydrophobicContact CB-CG 4.4Å; K606-R613 HydrophobicContact CG-CG 4.37Å; K606-L620 WeakPolarHBondContact O-CD2 3.15Å
607	C	90.7	Very high	86.1	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.014	39%	0.391	C	S	.	.			trans	-81.4	124.4	161.2	178.6	0	0	0	0	108.8	G611 A612 F614 L620 H627	C607-G611 WeakPolarHBondContact O-CA 3.45Å; C607-G611 PolarHBondContact O-N 2.65Å; C607-A612 HydrophobicContact CB-CB 4.45Å; C607-A612 WeakPolarHBondContact CB-O 3.38Å; C607-A612 PolarHBondContact N-O 2.67Å; C607-F614 HydrophobicContact CB-CE2 4.27Å; C607-L620 HydrophobicContact CB-CD1 3.59Å; C607-H627 PolarHBondContact SG-NE2 3.2Å
608	E	88.3	Confident	85.9	Confident	180 Å²	180	75 Å²	75	84%	0.841	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-42.2	179.9	-73.5	153.1	-170.6	0	0	111.4	C610	E608-C610 VanDerWaalsContact C-N 3.3Å; E608-C610 PolarHBondContact O-N 3.22Å
609	T	84.7	Confident	86	Confident	99 Å²	99	74.4 Å²	74.4	61%	0.607	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-177.1	-32.2	0	0	0	0	114.9	H627	T609-H627 HydrophobicContact CG2-CB 4.03Å
610	C	85.6	Confident	86.3	Confident	60 Å²	60	72.3 Å²	72.3	41%	0.405	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	8.6	-176.8	72.9	0	0	0	0	115.3	E608 A612 H623 H627	E608-C610 VanDerWaalsContact C-N 3.3Å; E608-C610 PolarHBondContact O-N 3.22Å; C610-A612 PolarHBondContact O-N 2.95Å; C610-A612 VanDerWaalsContact SG-CB 3.56Å; C610-H623 PolarHBondContact SG-NE2 2.86Å; C610-H627 WeakPolarHBondContact CB-CE1 3.45Å; C610-H627 PolarHBondContact SG-CE1 3.18Å; C610-H627 PolarHBondContact SG-NE2 2.82Å
611	G	85.4	Confident	86.4	Confident	34 Å²	34	77.5 Å²	77.5	35%	0.351	40%	0.403	S	S	.	.			trans	70.8	-9.2	-179.5	0	0	0	0	0	116.4	C607 R613	C607-G611 WeakPolarHBondContact O-CA 3.45Å; C607-G611 PolarHBondContact O-N 2.65Å; G611-R613 WeakPolarHBondContact O-CG 3.23Å; G611-R613 PolarHBondContact O-N 2.91Å
612	A	86.7	Confident	86.4	Confident	34 Å²	34	76.9 Å²	76.9	28%	0.281	39%	0.393	S	S	.	.			trans	-58.4	133.2	-176.4	0	0	0	0	0	112.2	K606 C607 C610 F614	K606-A612 CarbonylContact C-O 3.56Å; C607-A612 HydrophobicContact CB-CB 4.45Å; C607-A612 WeakPolarHBondContact CB-O 3.38Å; C607-A612 PolarHBondContact N-O 2.67Å; C610-A612 PolarHBondContact O-N 2.95Å; C610-A612 VanDerWaalsContact SG-CB 3.56Å; A612-F614 HydrophobicContact CB-CE2 3.82Å; A612-F614 HydrophobicContact CB-CZ 3.94Å; A612-F614 WeakPolarHBondContact O-CE2 3.48Å
613	R	87.8	Confident	86.5	Confident	152 Å²	152	73.4 Å²	73.4	57%	0.574	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.6	-173.8	-55	-176.8	63.6	155.6	2.9	112.7	K603 Y605 K606 G611	K603-R613 HydrophobicContact CB-CB 3.51Å; K603-R613 HydrophobicContact CD-CB 4.25Å; K603-R613 HydrophobicContact CG-CB 4.43Å; K603-R613 PolarHBondContact O-NE 3.08Å; K603-R613 PolarHBondContact O-NH2 3.02Å; Y605-R613 CarbonylContact O-C 3.24Å; Y605-R613 WeakPolarHBondContact O-CA 3.42Å; K606-R613 HydrophobicContact CB-CG 4.4Å; K606-R613 HydrophobicContact CG-CG 4.37Å; G611-R613 WeakPolarHBondContact O-CG 3.23Å; G611-R613 PolarHBondContact O-N 2.91Å
614	F	86.9	Confident	86.5	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.2	-173.5	-58.5	-85.4	0	0	0	112.7	K603 Y605 C607 A612 H619 L620 H623	K603-F614 CarbonylContact C-O 3.5Å; K603-F614 WeakPolarHBondContact CA-O 3.43Å; Y605-F614 WeakPolarHBondContact CD2-O 3.42Å; Y605-F614 PolarHBondContact N-O 3.44Å; Y605-F614 PolarHBondContact O-N 2.63Å; C607-F614 HydrophobicContact CB-CE2 4.27Å; A612-F614 HydrophobicContact CB-CE2 3.82Å; A612-F614 HydrophobicContact CB-CZ 3.94Å; A612-F614 WeakPolarHBondContact O-CE2 3.48Å; F614-H619 HydrophobicContact CB-CB 4.3Å; F614-H619 HydrophobicContact CD1-CB 3.98Å; F614-H619 HydrophobicContact CG-CB 4.4Å; F614-L620 HydrophobicContact CB-CB 4.43Å; F614-L620 HydrophobicContact CD2-CB 4.05Å; F614-L620 HydrophobicContact CD2-CD1 3.93Å; F614-L620 HydrophobicContact CE2-CD1 4.1Å; F614-L620 HydrophobicContact CG-CB 4.39Å; F614-H623 HydrophobicContact CE1-CB 4.09Å; F614-H623 HydrophobicContact CE2-CB 4.04Å; F614-H623 AromaticContact CE2-CD2 3.49Å; F614-H623 VanDerWaalsContact CE2-CD2 3.49Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.37Å; F614-H623 AromaticContact CE2-CG 3.7Å; F614-H623 HydrophobicContact CZ-CB 3.6Å; F614-H623 AromaticContact CZ-CD2 3.55Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.61Å; F614-H623 AromaticContact CZ-NE2 3.99Å
615	V	86.3	Confident	86.5	Confident	26 Å²	26	70 Å²	70	16%	0.158	36%	0.362	C	S	.	.	S	Bend	trans	-80.1	-22.2	-179.7	-178.3	0	0	0	0	112.6	T594 R597 K603 Y605	T594-V615 WeakPolarHBondContact O-CG1 3.42Å; R597-V615 HydrophobicContact CB-CG1 3.59Å; R597-V615 HydrophobicContact CG-CG1 4.34Å; R597-V615 PolarHBondContact NH1-O 3.44Å; K603-V615 HydrophobicContact CG-CG2 3.96Å; Y605-V615 WeakPolarHBondContact CE2-O 3.47Å
616	Q	86.4	Confident	86.4	Confident	66 Å²	66	69.7 Å²	69.7	31%	0.308	37%	0.365	S	S	.	.	S	Bend	trans	-140.5	144.6	-175.5	-61.7	-177	-0.9	0	0	111.9	T594 Y605 A618 H619 L620	T594-Q616 HydrophobicContact CG2-CG 4.4Å; Y605-Q616 VanDerWaalsContact CD2-C 3.46Å; Q616-A618 VanDerWaalsContact C-N 3.3Å; Q616-A618 PolarHBondContact O-N 2.85Å; Q616-H619 PolarHBondContact O-N 2.91Å; Q616-L620 PolarHBondContact O-N 3.41Å
617	V	86.1	Confident	86.1	Confident	60 Å²	60	68 Å²	68	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-39.4	177.3	-177.5	0	0	0	0	112.3	Y605 H619 L620 R621	Y605-V617 HydrophobicContact CD1-CG2 3.67Å; Y605-V617 HydrophobicContact CD2-CG2 4.32Å; Y605-V617 HydrophobicContact CE1-CG2 3.34Å; Y605-V617 HydrophobicContact CE2-CG2 4.04Å; Y605-V617 HydrophobicContact CG-CG2 4.14Å; V617-H619 VanDerWaalsContact C-N 3.26Å; V617-H619 PolarHBondContact O-N 3.05Å; V617-L620 WeakPolarHBondContact O-CB 3.39Å; V617-L620 PolarHBondContact O-N 3.48Å; V617-L620 VanDerWaalsContact O-N 3.09Å; V617-R621 HydrophobicContact CG1-CG 4.27Å; V617-R621 PolarHBondContact O-N 2.88Å
618	A	83.8	Confident	85.6	Confident	62 Å²	62	71.4 Å²	71.4	51%	0.512	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-36.5	179.6	0	0	0	0	0	112.4	Q616 A622	Q616-A618 VanDerWaalsContact C-N 3.3Å; Q616-A618 PolarHBondContact O-N 2.85Å; A618-A622 VanDerWaalsContact O-CB 3.24Å; A618-A622 WeakPolarHBondContact O-CB 3.45Å; A618-A622 PolarHBondContact O-N 2.8Å
619	H	85.5	Confident	85.3	Confident	100 Å²	100	64.7 Å²	64.7	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-72.7	-34.9	175.5	-60.5	160.1	0	0	0	112.2	F614 Q616 V617 H623	F614-H619 HydrophobicContact CB-CB 4.3Å; F614-H619 HydrophobicContact CD1-CB 3.98Å; F614-H619 HydrophobicContact CG-CB 4.4Å; Q616-H619 PolarHBondContact O-N 2.91Å; V617-H619 VanDerWaalsContact C-N 3.26Å; V617-H619 PolarHBondContact O-N 3.05Å; H619-H623 VanDerWaalsContact O-CB 3.24Å; H619-H623 WeakPolarHBondContact O-CB 3.25Å; H619-H623 PolarHBondContact O-N 3.39Å
620	L	88.4	Confident	85.2	Confident	30 Å²	30	64.6 Å²	64.6	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-50	171.6	173.7	58.8	0	0	0	111.1	K606 C607 F614 Q616 V617 A622 H623 V624	K606-L620 WeakPolarHBondContact O-CD2 3.15Å; C607-L620 HydrophobicContact CB-CD1 3.59Å; F614-L620 HydrophobicContact CB-CB 4.43Å; F614-L620 HydrophobicContact CD2-CB 4.05Å; F614-L620 HydrophobicContact CD2-CD1 3.93Å; F614-L620 HydrophobicContact CE2-CD1 4.1Å; F614-L620 HydrophobicContact CG-CB 4.39Å; Q616-L620 PolarHBondContact O-N 3.41Å; V617-L620 WeakPolarHBondContact O-CB 3.39Å; V617-L620 PolarHBondContact O-N 3.48Å; V617-L620 VanDerWaalsContact O-N 3.09Å; L620-A622 PolarHBondContact O-N 3.35Å; L620-H623 CarbonylContact O-C 3.59Å; L620-H623 WeakPolarHBondContact O-CA 3.49Å; L620-H623 WeakPolarHBondContact O-CB 3.48Å; L620-H623 PolarHBondContact O-N 3.18Å; L620-V624 HydrophobicContact CD1-CG2 4.04Å; L620-V624 HydrophobicContact CG-CG2 4.45Å; L620-V624 WeakPolarHBondContact O-CG2 3.36Å; L620-V624 PolarHBondContact O-N 3.4Å
621	R	85.2	Confident	85.2	Confident	176 Å²	176	66.8 Å²	66.8	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-57.5	-47.2	176.5	-70.8	-176.3	178.1	-173.1	-2.7	111.7	V617 H623 V624 L625	V617-R621 HydrophobicContact CG1-CG 4.27Å; V617-R621 PolarHBondContact O-N 2.88Å; R621-H623 PolarHBondContact O-N 3.3Å; R621-V624 PolarHBondContact O-N 2.91Å; R621-L625 PolarHBondContact O-N 2.99Å
622	A	84.1	Confident	85.1	Confident	31 Å²	31	68 Å²	68	26%	0.256	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-23.3	175.5	0	0	0	0	0	113.9	A618 L620	A618-A622 VanDerWaalsContact O-CB 3.24Å; A618-A622 WeakPolarHBondContact O-CB 3.45Å; A618-A622 PolarHBondContact O-N 2.8Å; L620-A622 PolarHBondContact O-N 3.35Å
623	H	86.7	Confident	85.1	Confident	27 Å²	27	70.7 Å²	70.7	13%	0.125	36%	0.36	C	S	.	.	H	α-helix	trans	-87.2	-33.5	174.6	169.4	79.8	0	0	0	113.3	C610 F614 H619 L620 R621 L625 I626 H627	C610-H623 PolarHBondContact SG-NE2 2.86Å; F614-H623 HydrophobicContact CE1-CB 4.09Å; F614-H623 HydrophobicContact CE2-CB 4.04Å; F614-H623 AromaticContact CE2-CD2 3.49Å; F614-H623 VanDerWaalsContact CE2-CD2 3.49Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.37Å; F614-H623 AromaticContact CE2-CG 3.7Å; F614-H623 HydrophobicContact CZ-CB 3.6Å; F614-H623 AromaticContact CZ-CD2 3.55Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.61Å; F614-H623 AromaticContact CZ-NE2 3.99Å; H619-H623 VanDerWaalsContact O-CB 3.24Å; H619-H623 WeakPolarHBondContact O-CB 3.25Å; H619-H623 PolarHBondContact O-N 3.39Å; L620-H623 CarbonylContact O-C 3.59Å; L620-H623 WeakPolarHBondContact O-CA 3.49Å; L620-H623 WeakPolarHBondContact O-CB 3.48Å; L620-H623 PolarHBondContact O-N 3.18Å; R621-H623 PolarHBondContact O-N 3.3Å; H623-L625 PolarHBondContact O-N 3.38Å; H623-I626 WeakPolarHBondContact O-CA 3.47Å; H623-I626 WeakPolarHBondContact O-CB 3.21Å; H623-I626 VanDerWaalsContact O-CG1 3.26Å; H623-I626 WeakPolarHBondContact O-CG1 3.43Å; H623-I626 PolarHBondContact O-N 3.06Å; H623-H627 AromaticContact CD2-NE2 3.12Å; H623-H627 PolarHBondContact CD2-NE2 3.31Å; H623-H627 AromaticContact CE1-NE2 2.99Å; H623-H627 PolarHBondContact CE1-NE2 2.95Å; H623-H627 AromaticContact NE2-CD2 3.96Å; H623-H627 AromaticContact NE2-NE2 2.24Å; H623-H627 PolarHBondContact NE2-NE2 2.59Å
624	V	86.1	Confident	85	Confident	55 Å²	55	65.9 Å²	65.9	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-35.6	175.8	170	0	0	0	0	111.3	L620 R621 I626 H627 T628	L620-V624 HydrophobicContact CD1-CG2 4.04Å; L620-V624 HydrophobicContact CG-CG2 4.45Å; L620-V624 WeakPolarHBondContact O-CG2 3.36Å; L620-V624 PolarHBondContact O-N 3.4Å; R621-V624 PolarHBondContact O-N 2.91Å; V624-I626 PolarHBondContact O-N 2.8Å; V624-H627 PolarHBondContact O-N 2.86Å; V624-T628 HydrophobicContact CG1-CG2 4.2Å; V624-T628 PolarHBondContact O-N 2.87Å; V624-T628 VanDerWaalsContact O-N 3.14Å
625	L	86.6	Confident	85.2	Confident	33 Å²	33	64 Å²	64	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-56.6	-14	169.9	-60.7	173.1	0	0	0	114.1	R621 H623 E630 R643	R621-L625 PolarHBondContact O-N 2.99Å; H623-L625 PolarHBondContact O-N 3.38Å; L625-E630 HydrophobicContact CD2-CB 3.68Å; L625-E630 HydrophobicContact CD2-CG 4.41Å; L625-E630 VanDerWaalsContact CD2-OE2 3.31Å; L625-E630 WeakPolarHBondContact CD2-OE2 3.47Å; L625-E630 PolarHBondContact O-N 3.21Å; L625-R643 HydrophobicContact CB-CG 3.71Å; L625-R643 HydrophobicContact CD1-CG 3.97Å; L625-R643 PolarHBondContact O-NE 3.11Å; L625-R643 PolarHBondContact O-NH2 3.47Å
626	I	84.5	Confident	85.3	Confident	72 Å²	72	71.8 Å²	71.8	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-73.7	-40.7	171.6	-54.8	-178.8	0	0	0	110.7	H623 V624	H623-I626 WeakPolarHBondContact O-CA 3.47Å; H623-I626 WeakPolarHBondContact O-CB 3.21Å; H623-I626 VanDerWaalsContact O-CG1 3.26Å; H623-I626 WeakPolarHBondContact O-CG1 3.43Å; H623-I626 PolarHBondContact O-N 3.06Å; V624-I626 PolarHBondContact O-N 2.8Å
627	H	82.1	Confident	85.3	Confident	86 Å²	86	73.5 Å²	73.5	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-80.7	-42	-177.4	-57	-56.7	0	0	0	112.5	C607 T609 C610 H623 V624 G629	C607-H627 PolarHBondContact SG-NE2 3.2Å; T609-H627 HydrophobicContact CG2-CB 4.03Å; C610-H627 WeakPolarHBondContact CB-CE1 3.45Å; C610-H627 PolarHBondContact SG-CE1 3.18Å; C610-H627 PolarHBondContact SG-NE2 2.82Å; H623-H627 AromaticContact CD2-NE2 3.12Å; H623-H627 PolarHBondContact CD2-NE2 3.31Å; H623-H627 AromaticContact CE1-NE2 2.99Å; H623-H627 PolarHBondContact CE1-NE2 2.95Å; H623-H627 AromaticContact NE2-CD2 3.96Å; H623-H627 AromaticContact NE2-NE2 2.24Å; H623-H627 PolarHBondContact NE2-NE2 2.59Å; V624-H627 PolarHBondContact O-N 2.86Å; H627-G629 PolarHBondContact O-N 3.42Å
628	T	81.3	Confident	85.3	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.46	38%	0.384	S	S	.	.	S	Bend	trans	-72.2	-6.2	175.3	64.1	0	0	0	0	113.1	V624 E630	V624-T628 HydrophobicContact CG1-CG2 4.2Å; V624-T628 PolarHBondContact O-N 2.87Å; V624-T628 VanDerWaalsContact O-N 3.14Å; T628-E630 WeakPolarHBondContact CB-OE1 3.34Å; T628-E630 WeakPolarHBondContact CG2-OE1 3.34Å; T628-E630 PolarHBondContact O-N 2.78Å; T628-E630 VanDerWaalsContact OG1-CD 3.27Å; T628-E630 WeakPolarHBondContact OG1-CG 3.4Å; T628-E630 PolarHBondContact OG1-OE1 2.86Å
629	G	81.6	Confident	85.3	Confident	39 Å²	39	72.7 Å²	72.7	40%	0.402	39%	0.386	S	S	.	.			trans	71.1	-8.1	-177.4	0	0	0	0	0	114.7	H627 K631	H627-G629 PolarHBondContact O-N 3.42Å; G629-K631 WeakPolarHBondContact O-CG 3.33Å
630	E	81.5	Confident	85.3	Confident	97 Å²	97	70.9 Å²	70.9	45%	0.453	38%	0.382	S	S	.	.			trans	-55.1	140.3	-172	-78.1	168.3	-108.2	0	0	114.4	L625 T628	L625-E630 HydrophobicContact CD2-CB 3.68Å; L625-E630 HydrophobicContact CD2-CG 4.41Å; L625-E630 VanDerWaalsContact CD2-OE2 3.31Å; L625-E630 WeakPolarHBondContact CD2-OE2 3.47Å; L625-E630 PolarHBondContact O-N 3.21Å; T628-E630 WeakPolarHBondContact CB-OE1 3.34Å; T628-E630 WeakPolarHBondContact CG2-OE1 3.34Å; T628-E630 PolarHBondContact O-N 2.78Å; T628-E630 VanDerWaalsContact OG1-CD 3.27Å; T628-E630 WeakPolarHBondContact OG1-CG 3.4Å; T628-E630 PolarHBondContact OG1-OE1 2.86Å
631	K	85.3	Confident	85.2	Confident	105 Å²	105	75.8 Å²	75.8	46%	0.457	40%	0.399	S	S	.	.			trans	-136.9	79.8	177.6	-57.9	-178.3	-153.8	166.7	0	108.4	G629 Y633 R641 F642	G629-K631 WeakPolarHBondContact O-CG 3.33Å; K631-Y633 PolarHBondContact O-N 3.45Å; K631-R641 HydrophobicContact CB-CB 3.52Å; K631-R641 HydrophobicContact CD-CB 4.17Å; K631-R641 WeakPolarHBondContact CD-O 3.45Å; K631-R641 HydrophobicContact CG-CB 4.47Å; K631-R641 PolarHBondContact O-NE 3.16Å; K631-R641 PolarHBondContact O-NH2 2.88Å; K631-F642 CarbonylContact C-O 3.6Å; K631-F642 VanDerWaalsContact C-O 3.24Å; K631-F642 VanDerWaalsContact CA-O 3.3Å; K631-F642 WeakPolarHBondContact CA-O 3.2Å
632	P	84	Confident	85.2	Confident	61 Å²	61	69.4 Å²	69.4	40%	0.396	38%	0.376	S	S	.	.			trans	-68.1	-14.5	-172.8	22.9	-31.8	0	0	0	114.4	P634	P632-P634 WeakPolarHBondContact O-CD 3.14Å
633	Y	86.9	Confident	85.2	Confident	90 Å²	90	71 Å²	71	35%	0.353	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	91.6	-176.3	-56.3	-77.6	0	0	0	112	K631 F642 H644 L645	K631-Y633 PolarHBondContact O-N 3.45Å; Y633-F642 PolarHBondContact N-O 3.19Å; Y633-F642 VanDerWaalsContact N-O 3.08Å; Y633-F642 PolarHBondContact O-N 2.93Å; Y633-H644 VanDerWaalsContact CD2-C 3.46Å; Y633-L645 HydrophobicContact CD1-CB 4.1Å; Y633-L645 HydrophobicContact CD1-CD1 4.06Å; Y633-L645 HydrophobicContact CE1-CB 3.85Å; Y633-L645 HydrophobicContact CE1-CD1 4.3Å; Y633-L645 HydrophobicContact CE2-CB 4.47Å
634	P	86.1	Confident	85	Confident	50 Å²	50	73.4 Å²	73.4	33%	0.325	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	153.8	170.9	31.5	-35.6	0	0	0	111.7	P632 R641 L648	P632-P634 WeakPolarHBondContact O-CD 3.14Å; P634-R641 HydrophobicContact CB-CG 4.24Å; P634-L648 VanDerWaalsContact O-CD2 3.26Å; P634-L648 WeakPolarHBondContact O-CD2 3.44Å
635	C	90.2	Very high	84.9	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.014	39%	0.389	C	S	.	.			trans	-94.2	117.8	162.8	-178.7	0	0	0	0	109	I637 C638 G639 T640 F642 L648 H651 H655	C635-I637 PolarHBondContact O-N 3.48Å; C635-C638 PolarHBondContact O-N 2.85Å; C635-G639 VanDerWaalsContact O-CA 3.26Å; C635-G639 WeakPolarHBondContact O-CA 3.14Å; C635-G639 PolarHBondContact O-N 2.71Å; C635-T640 VanDerWaalsContact CB-O 3.29Å; C635-T640 WeakPolarHBondContact CB-O 3.08Å; C635-T640 PolarHBondContact N-O 3.27Å; C635-F642 HydrophobicContact CB-CE2 4.17Å; C635-L648 HydrophobicContact CB-CD1 3.66Å; C635-H651 PolarHBondContact SG-CD2 3.29Å; C635-H651 PolarHBondContact SG-NE2 2.82Å; C635-H655 PolarHBondContact SG-NE2 3.03Å
636	E	88.6	Confident	84.8	Confident	190 Å²	190	79.6 Å²	79.6	89%	0.888	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.1	-178.8	-70.3	148.1	-156	0	0	112.8
637	I	86.3	Confident	84.7	Confident	103 Å²	103	79.2 Å²	79.2	53%	0.528	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-24.7	-173.8	-55.1	171.9	0	0	0	112.7	C635 L652 H655	C635-I637 PolarHBondContact O-N 3.48Å; I637-L652 HydrophobicContact CD1-CD2 4.11Å; I637-H655 HydrophobicContact CD1-CB 3.62Å; I637-H655 HydrophobicContact CG2-CB 4.09Å
638	C	85.8	Confident	85	Confident	51 Å²	51	75.9 Å²	75.9	35%	0.345	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	15.2	-176.4	68.8	0	0	0	0	115.4	C635 T640 H651 H655	C635-C638 PolarHBondContact O-N 2.85Å; C638-T640 PolarHBondContact O-N 3.04Å; C638-T640 PolarHBondContact SG-OG1 3.1Å; C638-H651 PolarHBondContact SG-NE2 3.45Å; C638-H655 WeakPolarHBondContact CB-CE1 3.34Å; C638-H655 PolarHBondContact SG-CE1 3.03Å; C638-H655 PolarHBondContact SG-NE2 3.47Å
639	G	83.7	Confident	85.2	Confident	53 Å²	53	78 Å²	78	55%	0.546	40%	0.402	S	S	.	.			trans	66.7	-15.2	-179.6	0	0	0	0	0	116.2	C635 R641	C635-G639 VanDerWaalsContact O-CA 3.26Å; C635-G639 WeakPolarHBondContact O-CA 3.14Å; C635-G639 PolarHBondContact O-N 2.71Å; G639-R641 WeakPolarHBondContact O-CG 3.33Å; G639-R641 PolarHBondContact O-N 3.2Å
640	T	86.4	Confident	85.4	Confident	62 Å²	62	78 Å²	78	38%	0.38	40%	0.395	S	S	.	.			trans	-61.3	125.8	-173	62.4	0	0	0	0	111.6	C635 C638 F642 H651	C635-T640 VanDerWaalsContact CB-O 3.29Å; C635-T640 WeakPolarHBondContact CB-O 3.08Å; C635-T640 PolarHBondContact N-O 3.27Å; C638-T640 PolarHBondContact O-N 3.04Å; C638-T640 PolarHBondContact SG-OG1 3.1Å; T640-F642 WeakPolarHBondContact O-CD2 3.41Å; T640-F642 VanDerWaalsContact O-CE2 3.26Å; T640-F642 WeakPolarHBondContact O-CE2 3.47Å; T640-F642 WeakPolarHBondContact OG1-CE2 3.34Å; T640-H651 PolarHBondContact OG1-CE1 3.31Å; T640-H651 PolarHBondContact OG1-NE2 2.67Å
641	R	86.6	Confident	85.6	Confident	134 Å²	134	74.6 Å²	74.6	51%	0.506	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.6	-173.4	-53.9	-170.4	65.1	111.2	1.2	112.1	K631 P634 G639	K631-R641 HydrophobicContact CB-CB 3.52Å; K631-R641 HydrophobicContact CD-CB 4.17Å; K631-R641 WeakPolarHBondContact CD-O 3.45Å; K631-R641 HydrophobicContact CG-CB 4.47Å; K631-R641 PolarHBondContact O-NE 3.16Å; K631-R641 PolarHBondContact O-NH2 2.88Å; P634-R641 HydrophobicContact CB-CG 4.24Å; G639-R641 WeakPolarHBondContact O-CG 3.33Å; G639-R641 PolarHBondContact O-N 3.2Å
642	F	85.1	Confident	85.6	Confident	41 Å²	41	72.3 Å²	72.3	18%	0.18	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.2	-177.5	-63.5	-85.4	0	0	0	112.4	K631 Y633 C635 T640 L648 H651	K631-F642 CarbonylContact C-O 3.6Å; K631-F642 VanDerWaalsContact C-O 3.24Å; K631-F642 VanDerWaalsContact CA-O 3.3Å; K631-F642 WeakPolarHBondContact CA-O 3.2Å; Y633-F642 PolarHBondContact N-O 3.19Å; Y633-F642 VanDerWaalsContact N-O 3.08Å; Y633-F642 PolarHBondContact O-N 2.93Å; C635-F642 HydrophobicContact CB-CE2 4.17Å; T640-F642 WeakPolarHBondContact O-CD2 3.41Å; T640-F642 VanDerWaalsContact O-CE2 3.26Å; T640-F642 WeakPolarHBondContact O-CE2 3.47Å; T640-F642 WeakPolarHBondContact OG1-CE2 3.34Å; F642-L648 HydrophobicContact CB-CB 4.25Å; F642-L648 HydrophobicContact CD2-CB 4.06Å; F642-L648 HydrophobicContact CD2-CD1 3.86Å; F642-L648 HydrophobicContact CE2-CD1 4.15Å; F642-L648 HydrophobicContact CG-CB 4.28Å; F642-H651 HydrophobicContact CE1-CB 3.99Å; F642-H651 HydrophobicContact CE2-CB 3.94Å; F642-H651 AromaticContact CE2-CD2 3.56Å; F642-H651 AromaticContact CE2-CG 3.61Å; F642-H651 HydrophobicContact CZ-CB 3.52Å; F642-H651 AromaticContact CZ-CD2 3.73Å; F642-H651 AromaticContact CZ-CG 3.28Å; F642-H651 AromaticContact CZ-ND1 3.52Å
643	R	83.5	Confident	85.8	Confident	64 Å²	64	72.3 Å²	72.3	24%	0.242	36%	0.364	C	S	.	.	S	Bend	trans	-79.4	-22	177.5	-169.7	171.2	-74.4	131.1	-1.4	113.7	L625	L625-R643 HydrophobicContact CB-CG 3.71Å; L625-R643 HydrophobicContact CD1-CG 3.97Å; L625-R643 PolarHBondContact O-NE 3.11Å; L625-R643 PolarHBondContact O-NH2 3.47Å
644	H	83.8	Confident	85.6	Confident	78 Å²	78	71.8 Å²	71.8	36%	0.361	37%	0.367	S	S	.	.	S	Bend	trans	-138.5	140.4	-176.1	-51.7	-41.3	0	0	0	111.2	Y633 Q646 T647 L648	Y633-H644 VanDerWaalsContact CD2-C 3.46Å; H644-Q646 PolarHBondContact O-N 3.46Å; H644-Q646 VanDerWaalsContact O-N 3.17Å; H644-T647 PolarHBondContact O-N 2.96Å; H644-T647 PolarHBondContact O-OG1 2.98Å; H644-L648 PolarHBondContact O-N 2.85Å; H644-L648 VanDerWaalsContact O-N 3.14Å
645	L	83.9	Confident	85.5	Confident	74 Å²	74	73.4 Å²	73.4	39%	0.387	37%	0.37	S	S	.	.	H	α-helix	trans	-56.3	-34	176.5	-176.9	61.5	0	0	0	112.9	Y633 L648 K649	Y633-L645 HydrophobicContact CD1-CB 4.1Å; Y633-L645 HydrophobicContact CD1-CD1 4.06Å; Y633-L645 HydrophobicContact CE1-CB 3.85Å; Y633-L645 HydrophobicContact CE1-CD1 4.3Å; Y633-L645 HydrophobicContact CE2-CB 4.47Å; L645-L648 HydrophobicContact CD1-CD2 4.4Å; L645-L648 PolarHBondContact O-N 3.4Å; L645-K649 WeakPolarHBondContact O-CG 3.46Å; L645-K649 PolarHBondContact O-N 3.37Å
646	Q	82.7	Confident	85.2	Confident	144 Å²	144	77 Å²	77	67%	0.673	39%	0.392	S	S	*	.	H	α-helix	trans	-69.8	-32.3	178.4	-58.6	-61	-13.9	0	0	112.7	H644 S650	H644-Q646 PolarHBondContact O-N 3.46Å; H644-Q646 VanDerWaalsContact O-N 3.17Å; Q646-S650 VanDerWaalsContact O-CB 3.26Å; Q646-S650 WeakPolarHBondContact O-CB 3.23Å; Q646-S650 PolarHBondContact O-N 3.47Å
647	T	84.4	Confident	84.8	Confident	64 Å²	64	70 Å²	70	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-74.6	-34.6	173.4	46.9	0	0	0	0	111.6	H644 S650 H651	H644-T647 PolarHBondContact O-N 2.96Å; H644-T647 PolarHBondContact O-OG1 2.98Å; T647-S650 PolarHBondContact O-N 3.33Å; T647-H651 WeakPolarHBondContact O-CB 3.35Å; T647-H651 PolarHBondContact O-N 3.03Å
648	L	88.3	Confident	84.8	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-52.5	168.4	174.1	60.2	0	0	0	111.6	P634 C635 F642 H644 L645 S650 H651 L652	P634-L648 VanDerWaalsContact O-CD2 3.26Å; P634-L648 WeakPolarHBondContact O-CD2 3.44Å; C635-L648 HydrophobicContact CB-CD1 3.66Å; F642-L648 HydrophobicContact CB-CB 4.25Å; F642-L648 HydrophobicContact CD2-CB 4.06Å; F642-L648 HydrophobicContact CD2-CD1 3.86Å; F642-L648 HydrophobicContact CE2-CD1 4.15Å; F642-L648 HydrophobicContact CG-CB 4.28Å; H644-L648 PolarHBondContact O-N 2.85Å; H644-L648 VanDerWaalsContact O-N 3.14Å; L645-L648 HydrophobicContact CD1-CD2 4.4Å; L645-L648 PolarHBondContact O-N 3.4Å; L648-S650 PolarHBondContact O-N 3.45Å; L648-H651 CarbonylContact O-C 3.59Å; L648-H651 WeakPolarHBondContact O-CA 3.39Å; L648-H651 WeakPolarHBondContact O-CB 3.5Å; L648-H651 PolarHBondContact O-N 3.41Å; L648-L652 HydrophobicContact CD1-CD1 4.43Å; L648-L652 HydrophobicContact CD1-CD2 4.29Å; L648-L652 HydrophobicContact CD1-CG 4.08Å; L648-L652 HydrophobicContact CG-CD1 4.29Å; L648-L652 HydrophobicContact CG-CG 4.4Å; L648-L652 WeakPolarHBondContact O-CG 3.22Å; L648-L652 PolarHBondContact O-N 3.07Å
649	K	84.9	Confident	84.7	Confident	119 Å²	119	72.3 Å²	72.3	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-34.5	177.4	-72	-168.8	177.2	-161	0	112.9	L645	L645-K649 WeakPolarHBondContact O-CG 3.46Å; L645-K649 PolarHBondContact O-N 3.37Å
650	S	84.8	Confident	84.7	Confident	39 Å²	39	72.5 Å²	72.5	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-70.6	-30.5	173.2	-172.3	0	0	0	0	112.9	Q646 T647 L648 H672	Q646-S650 VanDerWaalsContact O-CB 3.26Å; Q646-S650 WeakPolarHBondContact O-CB 3.23Å; Q646-S650 PolarHBondContact O-N 3.47Å; T647-S650 PolarHBondContact O-N 3.33Å; L648-S650 PolarHBondContact O-N 3.45Å; S650-H672 PolarHBondContact O-CE1 3.28Å; S650-H672 PolarHBondContact OG-CE1 2.77Å; S650-H672 PolarHBondContact OG-ND1 3.47Å; S650-H672 VanDerWaalsContact OG-ND1 3.12Å
651	H	86.6	Confident	84.6	Confident	25 Å²	25	71.2 Å²	71.2	12%	0.116	35%	0.352	C	S	.	.	H	α-helix	trans	-78.2	-34.8	175.2	166	84.2	0	0	0	112.9	C635 C638 T640 F642 T647 L648 R653 I654 H655	C635-H651 PolarHBondContact SG-CD2 3.29Å; C635-H651 PolarHBondContact SG-NE2 2.82Å; C638-H651 PolarHBondContact SG-NE2 3.45Å; T640-H651 PolarHBondContact OG1-CE1 3.31Å; T640-H651 PolarHBondContact OG1-NE2 2.67Å; F642-H651 HydrophobicContact CE1-CB 3.99Å; F642-H651 HydrophobicContact CE2-CB 3.94Å; F642-H651 AromaticContact CE2-CD2 3.56Å; F642-H651 AromaticContact CE2-CG 3.61Å; F642-H651 HydrophobicContact CZ-CB 3.52Å; F642-H651 AromaticContact CZ-CD2 3.73Å; F642-H651 AromaticContact CZ-CG 3.28Å; F642-H651 AromaticContact CZ-ND1 3.52Å; T647-H651 WeakPolarHBondContact O-CB 3.35Å; T647-H651 PolarHBondContact O-N 3.03Å; L648-H651 CarbonylContact O-C 3.59Å; L648-H651 WeakPolarHBondContact O-CA 3.39Å; L648-H651 WeakPolarHBondContact O-CB 3.5Å; L648-H651 PolarHBondContact O-N 3.41Å; H651-R653 PolarHBondContact O-N 2.85Å; H651-R653 VanDerWaalsContact O-N 3.15Å; H651-I654 WeakPolarHBondContact O-CA 3.49Å; H651-I654 WeakPolarHBondContact O-CB 3.42Å; H651-I654 VanDerWaalsContact O-CG1 3.25Å; H651-I654 WeakPolarHBondContact O-CG1 3.2Å; H651-I654 PolarHBondContact O-N 2.69Å; H651-H655 AromaticContact CD2-NE2 3.34Å; H651-H655 PolarHBondContact CD2-NE2 3.11Å; H651-H655 VanDerWaalsContact CD2-NE2 3.34Å; H651-H655 AromaticContact CE1-NE2 3.02Å; H651-H655 PolarHBondContact CE1-NE2 3.1Å; H651-H655 AromaticContact NE2-CD2 3.74Å; H651-H655 AromaticContact NE2-NE2 2.28Å; H651-H655 PolarHBondContact NE2-NE2 3.46Å
652	L	85.9	Confident	84.5	Confident	58 Å²	58	67.9 Å²	67.9	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-58.4	-29.6	178.7	-71.7	171.9	0	0	0	112.8	I637 L648 I654 H655 T656	I637-L652 HydrophobicContact CD1-CD2 4.11Å; L648-L652 HydrophobicContact CD1-CD1 4.43Å; L648-L652 HydrophobicContact CD1-CD2 4.29Å; L648-L652 HydrophobicContact CD1-CG 4.08Å; L648-L652 HydrophobicContact CG-CD1 4.29Å; L648-L652 HydrophobicContact CG-CG 4.4Å; L648-L652 WeakPolarHBondContact O-CG 3.22Å; L648-L652 PolarHBondContact O-N 3.07Å; L652-I654 PolarHBondContact O-N 2.95Å; L652-I654 VanDerWaalsContact O-N 3.08Å; L652-H655 PolarHBondContact O-N 2.99Å; L652-T656 PolarHBondContact O-N 2.98Å
653	R	86.5	Confident	84.6	Confident	60 Å²	60	66 Å²	66	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-12.3	170.3	-60.3	-177.5	-179.5	168.3	2.4	114.9	H651 T656 E658 Y661 R671	H651-R653 PolarHBondContact O-N 2.85Å; H651-R653 VanDerWaalsContact O-N 3.15Å; R653-T656 WeakPolarHBondContact CA-OG1 3.44Å; R653-E658 HydrophobicContact CB-CB 4.16Å; R653-E658 HydrophobicContact CG-CB 4.08Å; R653-E658 IonicContact NE-OE2 2.69Å; R653-Y661 PolarHBondContact NH1-OH 2.82Å; R653-R671 HydrophobicContact CB-CG 3.74Å; R653-R671 PolarHBondContact NH1-O 2.96Å; R653-R671 VanDerWaalsContact O-CZ 3.32Å; R653-R671 PolarHBondContact O-NE 3.26Å; R653-R671 PolarHBondContact O-NH2 3.28Å; R653-R671 VanDerWaalsContact O-NH2 3.17Å
654	I	84.4	Confident	84.6	Confident	80 Å²	80	69.4 Å²	69.4	41%	0.41	35%	0.352	S	S	.	.	H	α-helix	trans	-70.7	-45.3	169.9	-58.3	-178.4	0	0	0	109.4	H651 L652 R671	H651-I654 WeakPolarHBondContact O-CA 3.49Å; H651-I654 WeakPolarHBondContact O-CB 3.42Å; H651-I654 VanDerWaalsContact O-CG1 3.25Å; H651-I654 WeakPolarHBondContact O-CG1 3.2Å; H651-I654 PolarHBondContact O-N 2.69Å; L652-I654 PolarHBondContact O-N 2.95Å; L652-I654 VanDerWaalsContact O-N 3.08Å; I654-R671 PolarHBondContact O-NH2 2.89Å
655	H	83.6	Confident	84.4	Confident	84 Å²	84	72.2 Å²	72.2	39%	0.389	36%	0.363	S	S	.	.	H	α-helix	trans	-78.4	-43.9	-179.2	-56.8	-57.8	0	0	0	112.9	C635 I637 C638 H651 L652 G657	C635-H655 PolarHBondContact SG-NE2 3.03Å; I637-H655 HydrophobicContact CD1-CB 3.62Å; I637-H655 HydrophobicContact CG2-CB 4.09Å; C638-H655 WeakPolarHBondContact CB-CE1 3.34Å; C638-H655 PolarHBondContact SG-CE1 3.03Å; C638-H655 PolarHBondContact SG-NE2 3.47Å; H651-H655 AromaticContact CD2-NE2 3.34Å; H651-H655 PolarHBondContact CD2-NE2 3.11Å; H651-H655 VanDerWaalsContact CD2-NE2 3.34Å; H651-H655 AromaticContact CE1-NE2 3.02Å; H651-H655 PolarHBondContact CE1-NE2 3.1Å; H651-H655 AromaticContact NE2-CD2 3.74Å; H651-H655 AromaticContact NE2-NE2 2.28Å; H651-H655 PolarHBondContact NE2-NE2 3.46Å; L652-H655 PolarHBondContact O-N 2.99Å; H655-G657 PolarHBondContact O-N 3.18Å
656	T	82.6	Confident	84.4	Confident	78 Å²	78	70.8 Å²	70.8	48%	0.479	36%	0.359	S	S	.	.	S	Bend	trans	-74.1	-2	177.7	65.2	0	0	0	0	113.7	L652 R653 E658	L652-T656 PolarHBondContact O-N 2.98Å; R653-T656 WeakPolarHBondContact CA-OG1 3.44Å; T656-E658 WeakPolarHBondContact CB-OE1 3.38Å; T656-E658 PolarHBondContact O-N 3.47Å; T656-E658 VanDerWaalsContact OG1-CD 3.27Å; T656-E658 WeakPolarHBondContact OG1-CG 3.47Å; T656-E658 PolarHBondContact OG1-OE1 3.44Å
657	G	82.1	Confident	84.3	Confident	41 Å²	41	69.4 Å²	69.4	42%	0.423	36%	0.357	S	S	.	.			trans	69.2	-11.3	-177.4	0	0	0	0	0	115.6	H655 K659	H655-G657 PolarHBondContact O-N 3.18Å; G657-K659 PolarHBondContact O-N 3.23Å
658	E	84.3	Confident	84.3	Confident	91 Å²	91	70.6 Å²	70.6	43%	0.425	36%	0.36	S	S	.	.			trans	-47.7	131	-173.7	-80.9	169.5	-116.2	0	0	114.4	R653 T656 P660	R653-E658 HydrophobicContact CB-CB 4.16Å; R653-E658 HydrophobicContact CG-CB 4.08Å; R653-E658 IonicContact NE-OE2 2.69Å; T656-E658 WeakPolarHBondContact CB-OE1 3.38Å; T656-E658 PolarHBondContact O-N 3.47Å; T656-E658 VanDerWaalsContact OG1-CD 3.27Å; T656-E658 WeakPolarHBondContact OG1-CG 3.47Å; T656-E658 PolarHBondContact OG1-OE1 3.44Å; E658-P660 HydrophobicContact CB-CG 4.31Å
659	K	84.1	Confident	84.2	Confident	113 Å²	113	74.9 Å²	74.9	49%	0.491	38%	0.379	S	S	.	.			trans	-129.2	71.6	173.6	-67	167.5	-176.7	175.8	0	111	G657 Y661 H669 F670	G657-K659 PolarHBondContact O-N 3.23Å; K659-Y661 PolarHBondContact O-N 2.86Å; K659-H669 HydrophobicContact CB-CB 3.75Å; K659-H669 HydrophobicContact CD-CB 4.1Å; K659-F670 CarbonylContact C-O 3.47Å; K659-F670 VanDerWaalsContact CA-O 3.26Å; K659-F670 WeakPolarHBondContact CA-O 3.3Å
660	P	84.1	Confident	84.1	Confident	57 Å²	57	71 Å²	71	37%	0.37	36%	0.363	S	S	.	.			trans	-71.3	-2.1	-167.3	-19.6	34.6	0	0	0	115.9	E658	E658-P660 HydrophobicContact CB-CG 4.31Å
661	Y	83.7	Confident	84	Confident	35 Å²	35	72 Å²	72	14%	0.137	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.4	-176.3	-52.4	-72.7	0	0	0	109.7	R653 K659 F670 R671 K673 Y694	R653-Y661 PolarHBondContact NH1-OH 2.82Å; K659-Y661 PolarHBondContact O-N 2.86Å; Y661-F670 PolarHBondContact N-O 2.82Å; Y661-F670 WeakPolarHBondContact O-CD2 3.39Å; Y661-F670 PolarHBondContact O-N 3.07Å; Y661-R671 WeakPolarHBondContact CE2-O 3.39Å; Y661-K673 HydrophobicContact CD1-CB 4.11Å; Y661-K673 HydrophobicContact CE1-CB 3.93Å; Y661-K673 HydrophobicContact CE2-CB 4.32Å; Y661-K673 HydrophobicContact CG-CB 4.4Å; Y661-Y694 HydrophobicContact CE1-CE1 4.14Å
662	H	86.3	Confident	83.9	Confident	63 Å²	63	73 Å²	73	29%	0.292	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	158.5	176	65.6	-92.5	0	0	0	112.5	L668 L676	H662-L668 CarbonylContact C-O 3.56Å; H662-L668 WeakPolarHBondContact CA-O 3.42Å; H662-L676 WeakPolarHBondContact O-CD2 3.44Å
663	C	86.1	Confident	83.8	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.007	37%	0.367	C	S	.	.			trans	-93.9	106.2	174.8	163.9	0	0	0	0	110.1	K665 C666 N667 L668 F670 L676 H679 H684	C663-K665 PolarHBondContact O-N 3.37Å; C663-K665 VanDerWaalsContact O-N 3.1Å; C663-C666 HydrophobicContact CB-CB 4.37Å; C663-C666 WeakPolarHBondContact CB-SG 3.32Å; C663-C666 PolarHBondContact O-N 3.33Å; C663-C666 WeakPolarHBondContact SG-CB 3.42Å; C663-C666 PolarHBondContact SG-N 3.21Å; C663-C666 CovalentContact SG-SG 2.05Å; C663-C666 PolarHBondContact SG-SG 2.9Å; C663-N667 WeakPolarHBondContact O-CA 3.31Å; C663-N667 PolarHBondContact O-N 2.67Å; C663-L668 HydrophobicContact CB-CB 4.38Å; C663-L668 WeakPolarHBondContact CB-O 3.3Å; C663-L668 PolarHBondContact N-O 2.92Å; C663-F670 HydrophobicContact CB-CE2 4.19Å; C663-L676 HydrophobicContact CB-CD1 4Å; C663-H679 PolarHBondContact SG-NE2 3.11Å; C663-H684 PolarHBondContact SG-NE2 3.12Å; C663-H684 VanDerWaalsContact SG-NE2 3.35Å
664	E	83.3	Confident	83.7	Confident	137 Å²	137	74.5 Å²	74.5	64%	0.64	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.6	179	-65	165.3	-177.8	0	0	113.3
665	K	79.4	Confident	83.7	Confident	136 Å²	136	74.4 Å²	74.4	59%	0.591	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.4	-179.5	-68.6	-179.5	173	-174.5	0	115	C663 H684	C663-K665 PolarHBondContact O-N 3.37Å; C663-K665 VanDerWaalsContact O-N 3.1Å; K665-H684 HydrophobicContact CD-CB 3.64Å; K665-H684 PolarHBondContact NZ-O 2.63Å
666	C	85	Confident	83.9	Confident	44 Å²	44	70.8 Å²	70.8	30%	0.297	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.4	0.3	-169.6	72.8	0	0	0	0	116.3	C663 L668 H679 H684	C663-C666 HydrophobicContact CB-CB 4.37Å; C663-C666 WeakPolarHBondContact CB-SG 3.32Å; C663-C666 PolarHBondContact O-N 3.33Å; C663-C666 WeakPolarHBondContact SG-CB 3.42Å; C663-C666 PolarHBondContact SG-N 3.21Å; C663-C666 CovalentContact SG-SG 2.05Å; C663-C666 PolarHBondContact SG-SG 2.9Å; C666-L668 PolarHBondContact O-N 2.84Å; C666-H679 PolarHBondContact SG-NE2 2.78Å; C666-H684 PolarHBondContact SG-NE2 2.91Å; C666-H684 VanDerWaalsContact SG-NE2 3.42Å
667	N	80.4	Confident	83.9	Confident	116 Å²	116	72.1 Å²	72.1	62%	0.62	36%	0.357	S	S	*	.			trans	51.3	13.6	-178.5	-61.2	-31.2	0	0	0	116.7	C663 H669	C663-N667 WeakPolarHBondContact O-CA 3.31Å; C663-N667 PolarHBondContact O-N 2.67Å; N667-H669 PolarHBondContact O-CE1 3.26Å; N667-H669 PolarHBondContact O-ND1 2.77Å
668	L	84.3	Confident	84.1	Confident	89 Å²	89	74.8 Å²	74.8	47%	0.466	36%	0.361	S	S	.	.			trans	-69.4	133.9	170.5	-68.2	175.9	0	0	0	110.9	H662 C663 C666 F670 H679	H662-L668 CarbonylContact C-O 3.56Å; H662-L668 WeakPolarHBondContact CA-O 3.42Å; C663-L668 HydrophobicContact CB-CB 4.38Å; C663-L668 WeakPolarHBondContact CB-O 3.3Å; C663-L668 PolarHBondContact N-O 2.92Å; C666-L668 PolarHBondContact O-N 2.84Å; L668-F670 HydrophobicContact CB-CE2 3.79Å; L668-F670 HydrophobicContact CB-CZ 3.83Å; L668-F670 WeakPolarHBondContact O-CD2 3.33Å; L668-F670 WeakPolarHBondContact O-CE2 3.45Å; L668-H679 WeakPolarHBondContact CD1-CE1 3.34Å
669	H	85.6	Confident	84.1	Confident	107 Å²	107	71.8 Å²	71.8	50%	0.495	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.2	-175.1	-75	68.9	0	0	0	111.7	K659 N667	K659-H669 HydrophobicContact CB-CB 3.75Å; K659-H669 HydrophobicContact CD-CB 4.1Å; N667-H669 PolarHBondContact O-CE1 3.26Å; N667-H669 PolarHBondContact O-ND1 2.77Å
670	F	83.6	Confident	84.1	Confident	37 Å²	37	68.2 Å²	68.2	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.8	-173.8	-58	-84.1	0	0	0	112.6	K659 Y661 C663 L668 Q675 L676 H679	K659-F670 CarbonylContact C-O 3.47Å; K659-F670 VanDerWaalsContact CA-O 3.26Å; K659-F670 WeakPolarHBondContact CA-O 3.3Å; Y661-F670 PolarHBondContact N-O 2.82Å; Y661-F670 WeakPolarHBondContact O-CD2 3.39Å; Y661-F670 PolarHBondContact O-N 3.07Å; C663-F670 HydrophobicContact CB-CE2 4.19Å; L668-F670 HydrophobicContact CB-CE2 3.79Å; L668-F670 HydrophobicContact CB-CZ 3.83Å; L668-F670 WeakPolarHBondContact O-CD2 3.33Å; L668-F670 WeakPolarHBondContact O-CE2 3.45Å; F670-Q675 HydrophobicContact CB-CB 4.02Å; F670-Q675 HydrophobicContact CD1-CB 3.83Å; F670-Q675 HydrophobicContact CG-CB 4.2Å; F670-L676 HydrophobicContact CB-CB 4.42Å; F670-L676 HydrophobicContact CD2-CB 4.05Å; F670-L676 HydrophobicContact CD2-CD1 3.84Å; F670-L676 HydrophobicContact CE2-CD1 3.97Å; F670-L676 HydrophobicContact CG-CB 4.39Å; F670-H679 HydrophobicContact CE1-CB 4Å; F670-H679 HydrophobicContact CE2-CB 4.05Å; F670-H679 AromaticContact CE2-CD2 3.99Å; F670-H679 AromaticContact CE2-CG 3.86Å; F670-H679 HydrophobicContact CZ-CB 3.53Å; F670-H679 AromaticContact CZ-CD2 3.92Å; F670-H679 AromaticContact CZ-CG 3.36Å; F670-H679 AromaticContact CZ-ND1 3.68Å
671	R	82.2	Confident	84	Confident	61 Å²	61	74.8 Å²	74.8	23%	0.23	35%	0.35	C	S	.	.	S	Bend	trans	-80.3	-28.3	-177.5	-170.5	174.6	-78.4	146.1	-8.1	113	R653 I654 Y661 Q675	R653-R671 HydrophobicContact CB-CG 3.74Å; R653-R671 PolarHBondContact NH1-O 2.96Å; R653-R671 VanDerWaalsContact O-CZ 3.32Å; R653-R671 PolarHBondContact O-NE 3.26Å; R653-R671 PolarHBondContact O-NH2 3.28Å; R653-R671 VanDerWaalsContact O-NH2 3.17Å; I654-R671 PolarHBondContact O-NH2 2.89Å; Y661-R671 WeakPolarHBondContact CE2-O 3.39Å; R671-Q675 VanDerWaalsContact N-OE1 3.11Å
672	H	83.9	Confident	84	Confident	45 Å²	45	78.3 Å²	78.3	21%	0.208	37%	0.368	C	S	.	.	S	Bend	trans	-131.6	143.1	-178.2	-47	-64.1	0	0	0	112.6	S650 S674 Q675 L676	S650-H672 PolarHBondContact O-CE1 3.28Å; S650-H672 PolarHBondContact OG-CE1 2.77Å; S650-H672 PolarHBondContact OG-ND1 3.47Å; S650-H672 VanDerWaalsContact OG-ND1 3.12Å; H672-S674 PolarHBondContact O-N 3.25Å; H672-S674 VanDerWaalsContact O-N 3.16Å; H672-Q675 HydrophobicContact CB-CG 4.35Å; H672-Q675 VanDerWaalsContact N-OE1 3.12Å; H672-Q675 WeakPolarHBondContact O-CB 3.24Å; H672-Q675 PolarHBondContact O-N 3.47Å; H672-L676 PolarHBondContact O-N 3.35Å
673	K	84	Confident	83.6	Confident	81 Å²	81	82.2 Å²	82.2	35%	0.352	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-22	178.3	-172.3	170.2	-179.6	172.3	0	113.6	Y661 R677	Y661-K673 HydrophobicContact CD1-CB 4.11Å; Y661-K673 HydrophobicContact CE1-CB 3.93Å; Y661-K673 HydrophobicContact CE2-CB 4.32Å; Y661-K673 HydrophobicContact CG-CB 4.4Å; K673-R677 WeakPolarHBondContact O-CG 3.47Å; K673-R677 PolarHBondContact O-N 3.38Å
674	S	84.8	Confident	83.4	Confident	68 Å²	68	84.2 Å²	84.2	48%	0.476	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-42.3	170.1	45.2	0	0	0	0	112.4	H672 R677 L678	H672-S674 PolarHBondContact O-N 3.25Å; H672-S674 VanDerWaalsContact O-N 3.16Å; S674-R677 PolarHBondContact O-N 2.96Å; S674-L678 WeakPolarHBondContact O-CB 3.46Å; S674-L678 PolarHBondContact O-N 2.98Å
675	Q	84.6	Confident	82.7	Confident	78 Å²	78	81.3 Å²	81.3	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176.2	-64.7	169.7	-33.1	0	0	111	F670 R671 H672 R677 L678 H679	F670-Q675 HydrophobicContact CB-CB 4.02Å; F670-Q675 HydrophobicContact CD1-CB 3.83Å; F670-Q675 HydrophobicContact CG-CB 4.2Å; R671-Q675 VanDerWaalsContact N-OE1 3.11Å; H672-Q675 HydrophobicContact CB-CG 4.35Å; H672-Q675 VanDerWaalsContact N-OE1 3.12Å; H672-Q675 WeakPolarHBondContact O-CB 3.24Å; H672-Q675 PolarHBondContact O-N 3.47Å; Q675-R677 PolarHBondContact O-N 2.88Å; Q675-L678 PolarHBondContact O-N 3Å; Q675-H679 WeakPolarHBondContact O-CB 3.41Å; Q675-H679 PolarHBondContact O-N 2.94Å
676	L	87.3	Confident	81.6	Confident	9 Å²	9	77.6 Å²	77.6	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-43.4	174.8	177.1	61.6	0	0	0	111.8	H662 C663 F670 H672 H679 L680	H662-L676 WeakPolarHBondContact O-CD2 3.44Å; C663-L676 HydrophobicContact CB-CD1 4Å; F670-L676 HydrophobicContact CB-CB 4.42Å; F670-L676 HydrophobicContact CD2-CB 4.05Å; F670-L676 HydrophobicContact CD2-CD1 3.84Å; F670-L676 HydrophobicContact CE2-CD1 3.97Å; F670-L676 HydrophobicContact CG-CB 4.39Å; H672-L676 PolarHBondContact O-N 3.35Å; L676-H679 PolarHBondContact O-N 2.84Å; L676-L680 HydrophobicContact CD1-CD1 3.96Å; L676-L680 HydrophobicContact CD1-CG 3.95Å; L676-L680 HydrophobicContact CG-CD1 3.89Å; L676-L680 HydrophobicContact CG-CG 4.34Å; L676-L680 WeakPolarHBondContact O-CB 3.48Å; L676-L680 VanDerWaalsContact O-CG 3.26Å; L676-L680 WeakPolarHBondContact O-CG 3.48Å; L676-L680 PolarHBondContact O-N 3.28Å
677	R	83.9	Confident	80.1	Confident	106 Å²	106	78.9 Å²	78.9	40%	0.4	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-44	174.1	-81	-170.6	-65.2	146	1.5	112.4	D29 K673 S674 Q675 L680 R681 I687	D29-R677 IonicContact OD2-CZ 3.67Å; D29-R677 IonicContact OD2-NH1 3.36Å; D29-R677 PolarHBondContact OD2-NH1 2.79Å; D29-R677 IonicContact OD2-NH2 2.71Å; D29-R677 PolarHBondContact OD2-NH2 2.81Å; K673-R677 WeakPolarHBondContact O-CG 3.47Å; K673-R677 PolarHBondContact O-N 3.38Å; S674-R677 PolarHBondContact O-N 2.96Å; Q675-R677 PolarHBondContact O-N 2.88Å; R677-L680 PolarHBondContact O-N 2.73Å; R677-R681 WeakPolarHBondContact O-CB 3.44Å; R677-R681 PolarHBondContact O-N 3.17Å; R677-I687 HydrophobicContact CB-CD1 4.3Å; R677-I687 HydrophobicContact CG-CD1 4.41Å; R677-I687 WeakPolarHBondContact O-CD1 3.21Å
678	L	84.7	Confident	78.5	Confident	97 Å²	97	78.1 Å²	78.1	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-47.3	177.9	-176.2	66	0	0	0	110.8	S674 Q675 R681 Q682	S674-L678 WeakPolarHBondContact O-CB 3.46Å; S674-L678 PolarHBondContact O-N 2.98Å; Q675-L678 PolarHBondContact O-N 3Å; L678-R681 PolarHBondContact O-N 3.35Å; L678-Q682 HydrophobicContact CD1-CG 4.3Å; L678-Q682 HydrophobicContact CG-CG 4.45Å; L678-Q682 WeakPolarHBondContact O-CB 3.19Å; L678-Q682 WeakPolarHBondContact O-CG 3.32Å; L678-Q682 PolarHBondContact O-N 3.08Å
679	H	85	Confident	76.4	Confident	28 Å²	28	81.7 Å²	81.7	13%	0.13	42%	0.417	C	S	.	.	H	α-helix	trans	-58.2	-50.6	175.5	172.9	78.8	0	0	0	112.4	C663 C666 L668 F670 Q675 L676 R681 Q682 K683 H684	C663-H679 PolarHBondContact SG-NE2 3.11Å; C666-H679 PolarHBondContact SG-NE2 2.78Å; L668-H679 WeakPolarHBondContact CD1-CE1 3.34Å; F670-H679 HydrophobicContact CE1-CB 4Å; F670-H679 HydrophobicContact CE2-CB 4.05Å; F670-H679 AromaticContact CE2-CD2 3.99Å; F670-H679 AromaticContact CE2-CG 3.86Å; F670-H679 HydrophobicContact CZ-CB 3.53Å; F670-H679 AromaticContact CZ-CD2 3.92Å; F670-H679 AromaticContact CZ-CG 3.36Å; F670-H679 AromaticContact CZ-ND1 3.68Å; Q675-H679 WeakPolarHBondContact O-CB 3.41Å; Q675-H679 PolarHBondContact O-N 2.94Å; L676-H679 PolarHBondContact O-N 2.84Å; H679-R681 VanDerWaalsContact C-N 3.3Å; H679-R681 PolarHBondContact O-N 3.24Å; H679-Q682 PolarHBondContact O-N 3.04Å; H679-Q682 VanDerWaalsContact O-N 3.14Å; H679-K683 VanDerWaalsContact CE1-CB 3.47Å; H679-K683 WeakPolarHBondContact CE1-CB 3.49Å; H679-K683 WeakPolarHBondContact CE1-CG 3.49Å; H679-K683 WeakPolarHBondContact O-CB 3.34Å; H679-K683 PolarHBondContact O-N 3.26Å; H679-H684 AromaticContact CD2-CD2 3.81Å; H679-H684 AromaticContact CD2-NE2 3.99Å; H679-H684 AromaticContact CE1-NE2 3.85Å; H679-H684 AromaticContact NE2-CD2 2.63Å; H679-H684 PolarHBondContact NE2-CD2 3.44Å; H679-H684 AromaticContact NE2-CE1 3.44Å; H679-H684 PolarHBondContact NE2-CE1 3.11Å; H679-H684 AromaticContact NE2-CG 3.96Å; H679-H684 AromaticContact NE2-NE2 2.15Å; H679-H684 PolarHBondContact NE2-NE2 3.23Å
680	L	84.2	Confident	74.3	Confident	37 Å²	37	81.2 Å²	81.2	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-59.2	-40.9	178.9	-72.3	169.2	0	0	0	111.8	L676 R677 H684 G685 I687	L676-L680 HydrophobicContact CD1-CD1 3.96Å; L676-L680 HydrophobicContact CD1-CG 3.95Å; L676-L680 HydrophobicContact CG-CD1 3.89Å; L676-L680 HydrophobicContact CG-CG 4.34Å; L676-L680 WeakPolarHBondContact O-CB 3.48Å; L676-L680 VanDerWaalsContact O-CG 3.26Å; L676-L680 WeakPolarHBondContact O-CG 3.48Å; L676-L680 PolarHBondContact O-N 3.28Å; R677-L680 PolarHBondContact O-N 2.73Å; L680-H684 HydrophobicContact CD2-CB 4.43Å; L680-H684 CarbonylContact O-C 3.51Å; L680-H684 WeakPolarHBondContact O-CA 3.26Å; L680-H684 PolarHBondContact O-N 3.18Å; L680-G685 PolarHBondContact O-N 2.95Å; L680-I687 HydrophobicContact CB-CD1 3.97Å; L680-I687 HydrophobicContact CB-CG1 3.91Å
681	R	82.6	Confident	72.3	Confident	195 Å²	195	88.5 Å²	88.5	74%	0.736	45%	0.453	S	S	*	.	H	α-helix	trans	-65.5	-41.5	174.4	-179.2	179.9	-80.1	-166.9	-5.3	112.4	R677 L678 H679 I687	R677-R681 WeakPolarHBondContact O-CB 3.44Å; R677-R681 PolarHBondContact O-N 3.17Å; L678-R681 PolarHBondContact O-N 3.35Å; H679-R681 VanDerWaalsContact C-N 3.3Å; H679-R681 PolarHBondContact O-N 3.24Å; R681-I687 HydrophobicContact CB-CD1 4.16Å
682	Q	82.9	Confident	70.3	Confident	109 Å²	109	88 Å²	88	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-81.6	-30.5	-175.4	-75	178.6	-26.3	0	0	114.7	L678 H679	L678-Q682 HydrophobicContact CD1-CG 4.3Å; L678-Q682 HydrophobicContact CG-CG 4.45Å; L678-Q682 WeakPolarHBondContact O-CB 3.19Å; L678-Q682 WeakPolarHBondContact O-CG 3.32Å; L678-Q682 PolarHBondContact O-N 3.08Å; H679-Q682 PolarHBondContact O-N 3.04Å; H679-Q682 VanDerWaalsContact O-N 3.14Å
683	K	78.7	Confident	68.1	Low	146 Å²	146	93 Å²	93	64%	0.635	48%	0.48	S	S	*	.	H	α-helix	trans	-116.2	-17.7	-171.1	-65.9	-60.5	-170.4	178.6	0	114.9	H679	H679-K683 VanDerWaalsContact CE1-CB 3.47Å; H679-K683 WeakPolarHBondContact CE1-CB 3.49Å; H679-K683 WeakPolarHBondContact CE1-CG 3.49Å; H679-K683 WeakPolarHBondContact O-CB 3.34Å; H679-K683 PolarHBondContact O-N 3.26Å
684	H	81	Confident	65.8	Low	43 Å²	43	97 Å²	97	20%	0.199	50%	0.495	C	S	.	.	S	Bend	trans	-129.1	14.3	-173.3	-61.6	-63.5	0	0	0	115.1	C663 K665 C666 H679 L680 A686	C663-H684 PolarHBondContact SG-NE2 3.12Å; C663-H684 VanDerWaalsContact SG-NE2 3.35Å; K665-H684 HydrophobicContact CD-CB 3.64Å; K665-H684 PolarHBondContact NZ-O 2.63Å; C666-H684 PolarHBondContact SG-NE2 2.91Å; C666-H684 VanDerWaalsContact SG-NE2 3.42Å; H679-H684 AromaticContact CD2-CD2 3.81Å; H679-H684 AromaticContact CD2-NE2 3.99Å; H679-H684 AromaticContact CE1-NE2 3.85Å; H679-H684 AromaticContact NE2-CD2 2.63Å; H679-H684 PolarHBondContact NE2-CD2 3.44Å; H679-H684 AromaticContact NE2-CE1 3.44Å; H679-H684 PolarHBondContact NE2-CE1 3.11Å; H679-H684 AromaticContact NE2-CG 3.96Å; H679-H684 AromaticContact NE2-NE2 2.15Å; H679-H684 PolarHBondContact NE2-NE2 3.23Å; L680-H684 HydrophobicContact CD2-CB 4.43Å; L680-H684 CarbonylContact O-C 3.51Å; L680-H684 WeakPolarHBondContact O-CA 3.26Å; L680-H684 PolarHBondContact O-N 3.18Å; H684-A686 PolarHBondContact O-N 2.9Å
685	G	68.3	Low	63.4	Low	76 Å²	76	104.4 Å²	104.4	78%	0.784	51%	0.512	S	S	*	.	S	Bend	trans	70.4	-14.9	156.9	0	0	0	0	0	117.6	L680	L680-G685 PolarHBondContact O-N 2.95Å
686	A	55.7	Low	60.9	Low	58 Å²	58	108.1 Å²	108.1	48%	0.479	53%	0.533	S	S	.	.			trans	-154.3	140.2	177	0	0	0	0	0	111.1	H684	H684-A686 PolarHBondContact O-N 2.9Å
687	I	54.8	Low	58.2	Low	71 Å²	71	113 Å²	113	36%	0.364	57%	0.568	S	S	.	*			trans	-118.3	85.7	157.3	-55.5	176.2	0	0	0	106.1	R677 L680 R681	R677-I687 HydrophobicContact CB-CD1 4.3Å; R677-I687 HydrophobicContact CG-CD1 4.41Å; R677-I687 WeakPolarHBondContact O-CD1 3.21Å; L680-I687 HydrophobicContact CB-CD1 3.97Å; L680-I687 HydrophobicContact CB-CG1 3.91Å; R681-I687 HydrophobicContact CB-CD1 4.16Å
688	T	46.9	Very low	55.8	Low	99 Å²	99	112.5 Å²	112.5	61%	0.607	59%	0.586	S	S	*	*			trans	-59	149.3	148.6	46.9	0	0	0	0	107.4	T690	T688-T690 PolarHBondContact O-N 2.56Å
689	N	40.7	Very low	53.4	Low	165 Å²	165	114 Å²	114	88%	0.882	60%	0.599	S	S	*	*			trans	-76.5	52.3	-177.7	-76.6	-59.5	0	0	0	112	K691	N689-K691 PolarHBondContact O-N 3.43Å
690	T	41.6	Very low	51	Low	96 Å²	96	121.3 Å²	121.3	59%	0.589	63%	0.634	S	S	*	*			trans	-61.8	128.3	171.7	48.5	0	0	0	0	109.4	T688 V692	T688-T690 PolarHBondContact O-N 2.56Å; T690-V692 VanDerWaalsContact C-N 3.31Å; T690-V692 PolarHBondContact O-N 3.34Å
691	K	40.8	Very low	48.5	Very low	190 Å²	190	126.4 Å²	126.4	83%	0.826	67%	0.666	S	S	*	*			trans	-65.5	82.6	-173.6	-179.7	-175.5	178.9	-176.1	0	109.8	N689 Q693	N689-K691 PolarHBondContact O-N 3.43Å; K691-Q693 WeakPolarHBondContact O-CG 3.32Å; K691-Q693 PolarHBondContact O-N 2.75Å
692	V	39.7	Very low	46.1	Very low	50 Å²	50	122.4 Å²	122.4	30%	0.303	67%	0.665	S	S	.	*			trans	-42.9	103.7	-179.7	179.3	0	0	0	0	110	T690	T690-V692 VanDerWaalsContact C-N 3.31Å; T690-V692 PolarHBondContact O-N 3.34Å
693	Q	37.7	Very low	44.5	Very low	151 Å²	151	122.8 Å²	122.8	71%	0.706	68%	0.677	S	S	*	*			trans	-79.2	144.4	-179.1	-68.2	-170.5	-10.6	0	0	109.4	K691	K691-Q693 WeakPolarHBondContact O-CG 3.32Å; K691-Q693 PolarHBondContact O-N 2.75Å
694	Y	36.3	Very low	42.2	Very low	166 Å²	166	123.9 Å²	123.9	65%	0.651	69%	0.685	S	S	*	*			trans	-95.1	102	174.1	-65.3	-91.4	0	0	0	108.4	Y661	Y661-Y694 HydrophobicContact CE1-CE1 4.14Å
695	R	33	Very low	39.9	Very low	222 Å²	222	129 Å²	129	84%	0.838	71%	0.713	S	S	*	*			trans	-83.8	107.6	157.6	-103	-177.1	175.6	165.2	-0.8	108.2
696	I	33.8	Very low	38.8	Very low	157 Å²	157	130.3 Å²	130.3	81%	0.805	71%	0.707	S	S	*	*			trans	-75.6	127.7	154.8	-60.6	174.4	0	0	0	105.3	A698	I696-A698 PolarHBondContact O-N 3.45Å
697	S	29.8	Very low	37.7	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	73%	0.729	S	S	*	*			trans	-76.8	88.5	-177.7	50.7	0	0	0	0	110.8
698	A	32.9	Very low	36.5	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	75%	0.752	S	S	*	*			trans	-74.6	134.4	155.2	0	0	0	0	0	108.7	I696	I696-A698 PolarHBondContact O-N 3.45Å
699	T	36	Very low	35.8	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	79%	0.791	S	S	*	*			trans	-81.4	116.6	-178.9	42	0	0	0	0	111.7
700	E	33.8	Very low	35.6	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	79%	0.786	S	S	*	*			trans	57.3	89.9	142.4	-57.6	-176.9	171.5	0	0	119.5
701	V	31.4	Very low	35.2	Very low	144 Å²	144	146.1 Å²	146.1	87%	0.873	80%	0.797	S	S	*	*			trans	-143.9	124.7	139.3	-173.6	0	0	0	0	109.7
702	P	32.9	Very low	34.9	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	80%	0.795	S	S	*	*			trans	-115.6	177.6	166.5	41.4	-32	0	0	0	111.9
703	P	47.8	Very low	34.7	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	82%	0.824	S	S	*	*				-120.4	167.3	-61.9	39	-27.1	0	0	0	111.6
704	E	31.4	Very low	34.5	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	83%	0.831	S	S	*	*			trans	-169.4	74.3	156.7	-106.1	-50.5	142.4	0	0	112.1
705	L	32.8	Very low	34.3	Very low	150 Å²	150	147.9 Å²	147.9	79%	0.785	84%	0.843	S	S	*	*			trans	43.1	-157.4	154	-56.5	170.5	0	0	0	118.4
706	P	44	Very low	34.4	Very low	104 Å²	104	142.6 Å²	142.6	68%	0.675	84%	0.844	S	S	*	*				-134.9	157.4	-114.7	38.8	-18.1	0	0	0	117.7
707	K	33.5	Very low	34.5	Very low	216 Å²	216	141.5 Å²	141.5	94%	0.939	85%	0.847	S	S	*	*			trans	-173.2	163.2	136.8	-99.9	142.6	-164.7	171	0	111.6
708	A	30.8	Very low	34.9	Very low	102 Å²	102	144 Å²	144	84%	0.843	85%	0.852	S	S	*	*			trans	-109.8	146.7	-171.5	0	0	0	0	0	113.1
709	C	31.3	Very low	35.1	Very low	210 Å²	210	148.5 Å²	148.5	100%	1.419	86%	0.858	S	S	*	*			trans	-159.3	0	144.5	-156.8	0	0	0	0	108

Retrieved 709 of 709 residues in 743.9 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).