A0A077ZD40_TRITR Loading...

PWWP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	34.7	Very low	244 Å²	244	138 Å²	138	100%	1.202	78%	0.775	S	S	*	*				0	79.5	0	-73	177.6	171.8	0	0	108.2
2	C	27.3	Very low	34.9	Very low	127 Å²	127	131.9 Å²	131.9	86%	0.858	74%	0.744	S	S	*	*			trans	-146.3	117.8	175.7	-64.3	0	0	0	0	106.1
3	A	33.7	Very low	35.2	Very low	103 Å²	103	126.8 Å²	126.8	85%	0.851	72%	0.717	S	S	*	*			trans	-147.2	101	164.1	0	0	0	0	0	107.7
4	N	33.8	Very low	35.7	Very low	162 Å²	162	125.2 Å²	125.2	87%	0.866	71%	0.706	S	S	*	*			trans	-57.9	127.3	-177.5	-68.2	-33.7	0	0	0	111.4	S6	N4-S6 PolarHBondContact O-N 3.45Å
5	K	32.7	Very low	36.1	Very low	211 Å²	211	121 Å²	121	92%	0.917	68%	0.684	S	S	*	*			trans	-76.1	104.5	160.8	-72.2	-179	176.2	-179.4	0	107.7
6	S	33	Very low	36.7	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	66%	0.661	S	S	*	*			trans	-76.9	137.8	166.7	-174.7	0	0	0	0	109.1	N4 V8	N4-S6 PolarHBondContact O-N 3.45Å; S6-V8 PolarHBondContact O-N 3.31Å
7	P	38.8	Very low	36.9	Very low	101 Å²	101	120.6 Å²	120.6	66%	0.656	66%	0.662	S	S	*	*			trans	-65.7	133	173.5	28.3	-31	0	0	0	109	D9	P7-D9 PolarHBondContact O-N 2.91Å
8	V	37.3	Very low	37.5	Very low	131 Å²	131	116.4 Å²	116.4	79%	0.794	64%	0.637	S	S	*	*			trans	-81.3	109.5	176.2	175.9	0	0	0	0	106.8	S6 Q10	S6-V8 PolarHBondContact O-N 3.31Å; V8-Q10 PolarHBondContact O-N 3.36Å
9	D	37.2	Very low	37.4	Very low	94 Å²	94	113.7 Å²	113.7	50%	0.503	63%	0.626	S	S	.	*			trans	-65.1	121.3	179.8	-67	-61.1	0	0	0	111.1	P7 L11 N30	P7-D9 PolarHBondContact O-N 2.91Å; D9-L11 PolarHBondContact O-N 2.77Å; D9-N30 PolarHBondContact OD2-OD1 3.45Å
10	Q	36.5	Very low	37.6	Very low	178 Å²	178	113.7 Å²	113.7	83%	0.832	63%	0.625	S	S	*	*			trans	-72.5	112	177.1	-114.2	175.6	0.3	0	0	110	V8 T12	V8-Q10 PolarHBondContact O-N 3.36Å; Q10-T12 PolarHBondContact O-N 3.23Å
11	L	35.2	Very low	37.7	Very low	70 Å²	70	114.3 Å²	114.3	37%	0.366	62%	0.619	S	S	.	*			trans	-69.2	109.6	173	-165.5	86.2	0	0	0	110.1	D9 V13 S27 V29 R67	D9-L11 PolarHBondContact O-N 2.77Å; L11-V13 HydrophobicContact CD2-CG2 3.78Å; L11-V13 HydrophobicContact CG-CG2 4.12Å; L11-S27 WeakPolarHBondContact CD1-OG 3.36Å; L11-V29 HydrophobicContact CD1-CG2 3.66Å; L11-R67 PolarHBondContact O-NH1 2.62Å
12	T	37.4	Very low	37.9	Very low	65 Å²	65	106.6 Å²	106.6	40%	0.399	58%	0.582	S	S	.	*			trans	-97.9	113.1	172.2	-54	0	0	0	0	109.3	Q10 S27	Q10-T12 PolarHBondContact O-N 3.23Å; T12-S27 WeakPolarHBondContact O-CA 3.25Å
13	V	38.4	Very low	38.9	Very low	66 Å²	66	102.6 Å²	102.6	40%	0.4	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	118.9	176.9	-178.3	0	0	0	0	108.9	L11 V15 S26	L11-V13 HydrophobicContact CD2-CG2 3.78Å; L11-V13 HydrophobicContact CG-CG2 4.12Å; V13-V15 HydrophobicContact CG1-CG2 4.21Å; V13-S26 WeakPolarHBondContact CA-O 3.37Å
14	N	42.9	Very low	39.5	Very low	104 Å²	104	101.1 Å²	101.1	56%	0.556	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.3	171.1	-72	-40.8	0	0	0	109.6	S26	N14-S26 PolarHBondContact N-O 3.35Å; N14-S26 VanDerWaalsContact N-O 3.16Å; N14-S26 PolarHBondContact O-N 3.06Å
15	V	42.3	Very low	40.3	Very low	62 Å²	62	94.7 Å²	94.7	38%	0.376	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.8	178.7	-179.3	0	0	0	0	108.7	V13 Y17 M23	V13-V15 HydrophobicContact CG1-CG2 4.21Å; V15-Y17 HydrophobicContact CB-CE2 4.43Å; V15-Y17 HydrophobicContact CG1-CD2 4.19Å; V15-Y17 HydrophobicContact CG1-CE1 4.14Å; V15-Y17 HydrophobicContact CG1-CE2 3.77Å; V15-M23 HydrophobicContact CG1-CE 4.06Å; V15-M23 HydrophobicContact CG1-CG 3.69Å; V15-M23 HydrophobicContact CG1-SD 3.59Å; V15-M23 VanDerWaalsContact CG1-SD 3.59Å
16	D	45.1	Very low	41.1	Very low	60 Å²	60	86.3 Å²	86.3	32%	0.321	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.7	174.8	-166.8	-10.9	0	0	0	108.9	K18 M24	D16-K18 PolarHBondContact O-N 3.2Å; D16-K18 WeakPolarHBondContact OD1-CD 2.97Å; D16-K18 VanDerWaalsContact OD1-CE 3.27Å; D16-K18 WeakPolarHBondContact OD1-CE 3.41Å; D16-K18 IonicContact OD1-NZ 2.94Å; D16-K18 PolarHBondContact OD1-NZ 2.88Å; D16-K18 WeakPolarHBondContact OD2-CE 3.48Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.24Å; D16-M24 HydrophobicContact CB-CB 4.47Å; D16-M24 PolarHBondContact N-O 2.84Å; D16-M24 PolarHBondContact O-N 2.89Å
17	Y	40.3	Very low	41.9	Very low	175 Å²	175	82.7 Å²	82.7	69%	0.686	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	106.4	-178.4	-65.1	-86.6	0	0	0	110.1	V15 M23	V15-Y17 HydrophobicContact CB-CE2 4.43Å; V15-Y17 HydrophobicContact CG1-CD2 4.19Å; V15-Y17 HydrophobicContact CG1-CE1 4.14Å; V15-Y17 HydrophobicContact CG1-CE2 3.77Å; Y17-M23 HydrophobicContact CD1-CE 4.31Å; Y17-M23 HydrophobicContact CE1-CE 3.88Å
18	K	46.7	Very low	42.3	Very low	45 Å²	45	82.8 Å²	82.8	20%	0.196	43%	0.427	C	S	.	.			trans	-139.6	107	-179.7	-85.2	164.2	179.6	163.4	0	112.1	D16 R295 A296	D16-K18 PolarHBondContact O-N 3.2Å; D16-K18 WeakPolarHBondContact OD1-CD 2.97Å; D16-K18 VanDerWaalsContact OD1-CE 3.27Å; D16-K18 WeakPolarHBondContact OD1-CE 3.41Å; D16-K18 IonicContact OD1-NZ 2.94Å; D16-K18 PolarHBondContact OD1-NZ 2.88Å; D16-K18 WeakPolarHBondContact OD2-CE 3.48Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.24Å; K18-R295 PolarHBondContact NZ-O 3.2Å; K18-A296 HydrophobicContact CD-CB 4.48Å; K18-A296 WeakPolarHBondContact CD-O 3.37Å
19	C	36.6	Very low	42.9	Very low	65 Å²	65	78.8 Å²	78.8	44%	0.439	40%	0.403	S	S	.	.	S	Bend	trans	67.9	142.3	-173.4	-69.4	0	0	0	0	113.2	Y21 L22 R298	C19-Y21 PolarHBondContact O-N 3.09Å; C19-L22 PolarHBondContact O-N 3.37Å; C19-L22 VanDerWaalsContact O-N 3.16Å; C19-R298 PolarHBondContact SG-NE 3.36Å
20	D	41.2	Very low	43.6	Very low	114 Å²	114	79.9 Å²	79.9	61%	0.61	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	1.1	-171.9	-57.4	-46.9	0	0	0	115.2	K40	D20-K40 WeakPolarHBondContact O-CB 3.36Å; D20-K40 WeakPolarHBondContact O-CD 3.14Å
21	Y	39.4	Very low	44.2	Very low	127 Å²	127	74.4 Å²	74.4	50%	0.498	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-10.9	-171.6	-57	-78.9	0	0	0	114.3	C19 M39 K40	C19-Y21 PolarHBondContact O-N 3.09Å; Y21-M39 CarbonylContact O-C 3.46Å; Y21-M39 VanDerWaalsContact O-CA 3.25Å; Y21-M39 WeakPolarHBondContact O-CA 3.31Å; Y21-K40 PolarHBondContact O-N 2.74Å
22	L	41.3	Very low	44.5	Very low	82 Å²	82	72.7 Å²	72.7	43%	0.429	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136	-170.7	-72	160.9	0	0	0	111.5	C19 V37 M38 M39	C19-L22 PolarHBondContact O-N 3.37Å; C19-L22 VanDerWaalsContact O-N 3.16Å; L22-V37 HydrophobicContact CD2-CG1 3.5Å; L22-V37 VanDerWaalsContact CD2-CG1 3.5Å; L22-M38 CarbonylContact C-O 3.42Å; L22-M38 WeakPolarHBondContact CA-O 3.47Å; L22-M39 HydrophobicContact CD2-CG 3.44Å; L22-M39 VanDerWaalsContact CD2-CG 3.44Å; L22-M39 HydrophobicContact CD2-SD 4.32Å
23	M	47	Very low	45	Very low	43 Å²	43	74.1 Å²	74.1	21%	0.212	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.8	178.2	173	-169.9	-61.8	0	0	108.4	V15 Y17 I25 V37 M38	V15-M23 HydrophobicContact CG1-CE 4.06Å; V15-M23 HydrophobicContact CG1-CG 3.69Å; V15-M23 HydrophobicContact CG1-SD 3.59Å; V15-M23 VanDerWaalsContact CG1-SD 3.59Å; Y17-M23 HydrophobicContact CD1-CE 4.31Å; Y17-M23 HydrophobicContact CE1-CE 3.88Å; M23-I25 HydrophobicContact CG-CG2 4.33Å; M23-I25 HydrophobicContact SD-CG2 4.27Å; M23-V37 CarbonylContact O-C 3.54Å; M23-V37 WeakPolarHBondContact O-CA 3.46Å; M23-M38 HydrophobicContact CB-CB 3.99Å; M23-M38 HydrophobicContact CG-CB 4.49Å; M23-M38 PolarHBondContact N-O 2.93Å; M23-M38 PolarHBondContact O-N 2.74Å; M23-M38 HydrophobicContact SD-CE 3.89Å; M23-M38 HydrophobicContact SD-SD 3.82Å
24	M	46.9	Very low	45.2	Very low	72 Å²	72	73.2 Å²	73.2	36%	0.355	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.4	169.3	-68.1	-156.5	-36.6	0	0	109.7	D16 G36	D16-M24 HydrophobicContact CB-CB 4.47Å; D16-M24 PolarHBondContact N-O 2.84Å; D16-M24 PolarHBondContact O-N 2.89Å; M24-G36 WeakPolarHBondContact CA-O 3.38Å
25	I	51.1	Low	45.3	Very low	26 Å²	26	71.9 Å²	71.9	13%	0.133	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.7	172.8	50.8	164.7	0	0	0	109.8	M23 C35 G36 M38 V80	M23-I25 HydrophobicContact CG-CG2 4.33Å; M23-I25 HydrophobicContact SD-CG2 4.27Å; I25-C35 CarbonylContact O-C 3.49Å; I25-C35 WeakPolarHBondContact O-CA 3.48Å; I25-G36 WeakPolarHBondContact CG1-O 3.5Å; I25-G36 PolarHBondContact N-O 2.88Å; I25-G36 PolarHBondContact O-N 3.35Å; I25-M38 HydrophobicContact CB-SD 4.33Å; I25-M38 HydrophobicContact CD1-CG 4.07Å; I25-M38 HydrophobicContact CD1-SD 3.75Å; I25-M38 HydrophobicContact CG1-CG 4.33Å; I25-M38 HydrophobicContact CG1-SD 4.08Å; I25-M38 HydrophobicContact CG2-CG 4.47Å; I25-M38 HydrophobicContact CG2-SD 3.36Å; I25-M38 WeakPolarHBondContact CG2-SD 3.42Å; I25-V80 HydrophobicContact CD1-CG1 3.92Å; I25-V80 HydrophobicContact CD1-CG2 4.13Å
26	S	48.6	Very low	45.5	Very low	35 Å²	35	69.3 Å²	69.3	25%	0.245	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.3	166	59.9	0	0	0	0	110.8	V13 N14 Y34	V13-S26 WeakPolarHBondContact CA-O 3.37Å; N14-S26 PolarHBondContact N-O 3.35Å; N14-S26 VanDerWaalsContact N-O 3.16Å; N14-S26 PolarHBondContact O-N 3.06Å; S26-Y34 CarbonylContact C-O 3.56Å; S26-Y34 WeakPolarHBondContact CA-O 3.06Å
27	S	49.1	Very low	45.6	Very low	21 Å²	21	70 Å²	70	15%	0.147	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.6	-179.9	179.1	0	0	0	0	110.3	L11 T12 I33 Y34	L11-S27 WeakPolarHBondContact CD1-OG 3.36Å; T12-S27 WeakPolarHBondContact O-CA 3.25Å; S27-I33 CarbonylContact O-C 3.55Å; S27-I33 WeakPolarHBondContact O-CA 3.42Å; S27-Y34 PolarHBondContact N-O 2.77Å; S27-Y34 PolarHBondContact O-N 3.07Å
28	E	47.3	Very low	45.9	Very low	103 Å²	103	63 Å²	63	48%	0.481	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.4	173.6	-171	176.1	169.9	0	0	110.1	S32	E28-S32 WeakPolarHBondContact CA-O 3.45Å
29	V	51	Low	45.7	Very low	47 Å²	47	66 Å²	66	29%	0.285	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.2	176.1	-172.1	0	0	0	0	108.2	L11 G31 S32 Y34	L11-V29 HydrophobicContact CD1-CG2 3.66Å; V29-G31 VanDerWaalsContact C-N 3.27Å; V29-G31 PolarHBondContact O-N 2.96Å; V29-S32 PolarHBondContact N-O 2.96Å; V29-S32 WeakPolarHBondContact O-CA 3.33Å; V29-S32 VanDerWaalsContact O-CB 3.31Å; V29-S32 WeakPolarHBondContact O-CB 3.18Å; V29-S32 PolarHBondContact O-N 3.33Å; V29-Y34 HydrophobicContact CB-CD2 4.39Å; V29-Y34 HydrophobicContact CB-CE2 3.85Å; V29-Y34 HydrophobicContact CG2-CD2 4.2Å; V29-Y34 HydrophobicContact CG2-CE2 4.07Å
30	N	52.3	Low	46.1	Very low	117 Å²	117	68 Å²	68	63%	0.626	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.3	177.5	-53.1	-6.6	0	0	0	112.8	D9 S32	D9-N30 PolarHBondContact OD2-OD1 3.45Å; N30-S32 PolarHBondContact O-N 3.02Å
31	G	48.2	Very low	46.2	Very low	63 Å²	63	66.2 Å²	66.2	65%	0.649	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	4	-176.5	0	0	0	0	0	115.3	V29	V29-G31 VanDerWaalsContact C-N 3.27Å; V29-G31 PolarHBondContact O-N 2.96Å
32	S	41.9	Very low	46.4	Very low	35 Å²	35	65.5 Å²	65.5	25%	0.245	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.4	174.9	-61.2	0	0	0	0	110.4	E28 V29 N30 Y34	E28-S32 WeakPolarHBondContact CA-O 3.45Å; V29-S32 PolarHBondContact N-O 2.96Å; V29-S32 WeakPolarHBondContact O-CA 3.33Å; V29-S32 VanDerWaalsContact O-CB 3.31Å; V29-S32 WeakPolarHBondContact O-CB 3.18Å; V29-S32 PolarHBondContact O-N 3.33Å; N30-S32 PolarHBondContact O-N 3.02Å; S32-Y34 WeakPolarHBondContact O-CD2 3.46Å
33	I	46.9	Very low	46.6	Very low	94 Å²	94	68.1 Å²	68.1	48%	0.482	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.4	175.8	-56	173.4	0	0	0	109.2	S27	S27-I33 CarbonylContact O-C 3.55Å; S27-I33 WeakPolarHBondContact O-CA 3.42Å
34	Y	44.3	Very low	46.6	Very low	48 Å²	48	75.5 Å²	75.5	19%	0.188	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.9	173.3	-62.8	-98.1	0	0	0	108.4	S26 S27 V29 S32 K84	S26-Y34 CarbonylContact C-O 3.56Å; S26-Y34 WeakPolarHBondContact CA-O 3.06Å; S27-Y34 PolarHBondContact N-O 2.77Å; S27-Y34 PolarHBondContact O-N 3.07Å; V29-Y34 HydrophobicContact CB-CD2 4.39Å; V29-Y34 HydrophobicContact CB-CE2 3.85Å; V29-Y34 HydrophobicContact CG2-CD2 4.2Å; V29-Y34 HydrophobicContact CG2-CE2 4.07Å; S32-Y34 WeakPolarHBondContact O-CD2 3.46Å; Y34-K84 HydrophobicContact CE1-CB 3.95Å; Y34-K84 HydrophobicContact CE1-CG 4.2Å
35	C	45	Very low	46.3	Very low	75 Å²	75	76.9 Å²	76.9	51%	0.507	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.5	174.3	-61.3	0	0	0	0	109.7	I25	I25-C35 CarbonylContact O-C 3.49Å; I25-C35 WeakPolarHBondContact O-CA 3.48Å
36	G	46	Very low	45.9	Very low	8 Å²	8	80.3 Å²	80.3	8%	0.082	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.5	177.2	0	0	0	0	0	111.9	M24 I25	M24-G36 WeakPolarHBondContact CA-O 3.38Å; I25-G36 WeakPolarHBondContact CG1-O 3.5Å; I25-G36 PolarHBondContact N-O 2.88Å; I25-G36 PolarHBondContact O-N 3.35Å
37	V	45.8	Very low	45.5	Very low	76 Å²	76	85.6 Å²	85.6	46%	0.461	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.5	171.4	-178.7	0	0	0	0	107.6	L22 M23	L22-V37 HydrophobicContact CD2-CG1 3.5Å; L22-V37 VanDerWaalsContact CD2-CG1 3.5Å; M23-V37 CarbonylContact O-C 3.54Å; M23-V37 WeakPolarHBondContact O-CA 3.46Å
38	M	47.6	Very low	45.5	Very low	28 Å²	28	90.1 Å²	90.1	14%	0.138	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.8	173.1	-77.9	164.5	76.1	0	0	108.6	L22 M23 I25 V77 V80	L22-M38 CarbonylContact C-O 3.42Å; L22-M38 WeakPolarHBondContact CA-O 3.47Å; M23-M38 HydrophobicContact CB-CB 3.99Å; M23-M38 HydrophobicContact CG-CB 4.49Å; M23-M38 PolarHBondContact N-O 2.93Å; M23-M38 PolarHBondContact O-N 2.74Å; M23-M38 HydrophobicContact SD-CE 3.89Å; M23-M38 HydrophobicContact SD-SD 3.82Å; I25-M38 HydrophobicContact CB-SD 4.33Å; I25-M38 HydrophobicContact CD1-CG 4.07Å; I25-M38 HydrophobicContact CD1-SD 3.75Å; I25-M38 HydrophobicContact CG1-CG 4.33Å; I25-M38 HydrophobicContact CG1-SD 4.08Å; I25-M38 HydrophobicContact CG2-CG 4.47Å; I25-M38 HydrophobicContact CG2-SD 3.36Å; I25-M38 WeakPolarHBondContact CG2-SD 3.42Å; M38-V77 HydrophobicContact CB-CG1 4.31Å; M38-V77 HydrophobicContact CE-CB 4.29Å; M38-V77 HydrophobicContact CE-CG1 3.4Å; M38-V77 HydrophobicContact CE-CG2 4.01Å; M38-V77 HydrophobicContact CG-CG1 4.19Å; M38-V80 HydrophobicContact CG-CG2 3.62Å; M38-V80 HydrophobicContact SD-CG2 4.26Å
39	M	43.2	Very low	45.5	Very low	106 Å²	106	92.5 Å²	92.5	52%	0.522	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.7	175.3	-73.2	-178.5	73.6	0	0	110.8	Y21 L22	Y21-M39 CarbonylContact O-C 3.46Å; Y21-M39 VanDerWaalsContact O-CA 3.25Å; Y21-M39 WeakPolarHBondContact O-CA 3.31Å; L22-M39 HydrophobicContact CD2-CG 3.44Å; L22-M39 VanDerWaalsContact CD2-CG 3.44Å; L22-M39 HydrophobicContact CD2-SD 4.32Å
40	K	43.5	Very low	45.7	Very low	107 Å²	107	92.1 Å²	92.1	47%	0.465	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-79	122.7	166.8	-163.5	-173.7	178	-177	0	108.8	D20 Y21 A76	D20-K40 WeakPolarHBondContact O-CB 3.36Å; D20-K40 WeakPolarHBondContact O-CD 3.14Å; Y21-K40 PolarHBondContact O-N 2.74Å; K40-A76 CarbonylContact C-O 3.57Å; K40-A76 VanDerWaalsContact CA-O 3.23Å; K40-A76 WeakPolarHBondContact CA-O 3.36Å; K40-A76 HydrophobicContact CG-CB 3.49Å; K40-A76 VanDerWaalsContact CG-CB 3.49Å
41	M	43.7	Very low	45.3	Very low	78 Å²	78	91.8 Å²	91.8	38%	0.384	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-93.9	133.2	169.6	-71.1	-79.2	-133.2	0	0	109.9	A76 S78	M41-A76 PolarHBondContact N-O 3.36Å; M41-A76 WeakPolarHBondContact O-CB 3.38Å; M41-S78 WeakPolarHBondContact CE-OG 3.48Å; M41-S78 WeakPolarHBondContact CG-OG 3.36Å; M41-S78 PolarHBondContact SD-OG 3.42Å
42	D	44.9	Very low	45.4	Very low	112 Å²	112	91.4 Å²	91.4	60%	0.599	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-73.7	137	166.1	-70.4	-37	0	0	0	110.1	K44	D42-K44 PolarHBondContact O-N 2.96Å
43	D	45.4	Very low	46	Very low	137 Å²	137	97.9 Å²	97.9	73%	0.733	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	18.2	-169.5	-90.1	-32.7	0	0	0	117.4
44	K	46.7	Very low	46.1	Very low	197 Å²	197	100.4 Å²	100.4	86%	0.857	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-1.2	-164.8	-70.7	-169.9	178.1	179.6	0	118.2	D42	D42-K44 PolarHBondContact O-N 2.96Å
45	S	39	Very low	46.3	Very low	102 Å²	102	101.1 Å²	101.1	71%	0.713	53%	0.531	S	S	*	.			trans	-161.6	89.2	-179.2	59.8	0	0	0	0	114.6
46	D	43.9	Very low	46.7	Very low	98 Å²	98	104.5 Å²	104.5	52%	0.524	54%	0.54	S	S	.	.			trans	-156.7	82	152.3	-122.1	-20.2	0	0	0	110.9	N48	D46-N48 PolarHBondContact O-N 3.36Å
47	T	39.7	Very low	47	Very low	146 Å²	146	109.7 Å²	109.7	90%	0.896	57%	0.565	S	S	*	*			trans	-77.6	16.8	179.7	39.3	0	0	0	0	114
48	N	48.5	Very low	47	Very low	116 Å²	116	112.7 Å²	112.7	62%	0.62	57%	0.568	S	S	*	*	S	Bend	trans	-112	122.8	-177.4	-85	-34	0	0	0	111.8	D46 S50 F51	D46-N48 PolarHBondContact O-N 3.36Å; N48-S50 PolarHBondContact O-N 3.48Å; N48-F51 PolarHBondContact O-N 3.16Å
49	N	48.7	Very low	47.1	Very low	152 Å²	152	116.9 Å²	116.9	81%	0.813	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.5	7.5	174.7	-97.8	-17	0	0	0	117.9
50	S	55.6	Low	47.6	Very low	40 Å²	40	115.6 Å²	115.6	28%	0.28	59%	0.587	S	S	.	*	H	α-helix	trans	-76.3	-23.2	169.6	87	0	0	0	0	113.1	N48 R54	N48-S50 PolarHBondContact O-N 3.48Å; S50-R54 VanDerWaalsContact O-CG 3.3Å; S50-R54 WeakPolarHBondContact O-CG 3.34Å; S50-R54 PolarHBondContact O-N 3.26Å; S50-R54 PolarHBondContact OG-NE 3.15Å; S50-R54 PolarHBondContact OG-NH2 3Å
51	F	43.9	Very low	47.6	Very low	109 Å²	109	115.9 Å²	115.9	48%	0.478	59%	0.593	S	S	.	*	H	α-helix	trans	-67.5	-47	-179.2	-176	-100.8	0	0	0	112.2	N48 K53 R54 L55	N48-F51 PolarHBondContact O-N 3.16Å; F51-K53 VanDerWaalsContact C-N 3.31Å; F51-K53 PolarHBondContact O-N 3.45Å; F51-R54 PolarHBondContact O-N 2.72Å; F51-R54 VanDerWaalsContact O-N 3.11Å; F51-L55 HydrophobicContact CE1-CD2 4.15Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 3.26Å
52	A	49.3	Very low	47.4	Very low	55 Å²	55	114.8 Å²	114.8	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-58	-40.7	179.9	0	0	0	0	0	112.7	L55 E56	A52-L55 PolarHBondContact O-N 3.28Å; A52-E56 WeakPolarHBondContact O-CG 3.31Å; A52-E56 PolarHBondContact O-N 3.01Å
53	K	54.3	Low	47.4	Very low	171 Å²	171	114 Å²	114	74%	0.743	60%	0.596	S	S	*	*	H	α-helix	trans	-68.4	-39.2	176.1	-71.5	-175	177.7	-178.4	0	113	F51 L57	F51-K53 VanDerWaalsContact C-N 3.31Å; F51-K53 PolarHBondContact O-N 3.45Å; K53-L57 PolarHBondContact O-N 2.87Å; K53-L57 VanDerWaalsContact O-N 3.16Å
54	R	49.8	Very low	47	Very low	148 Å²	148	112 Å²	112	56%	0.558	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-32.6	177.9	-68.3	-179.1	-135.1	-166.4	4.9	111.7	S50 F51 L57 W58	S50-R54 VanDerWaalsContact O-CG 3.3Å; S50-R54 WeakPolarHBondContact O-CG 3.34Å; S50-R54 PolarHBondContact O-N 3.26Å; S50-R54 PolarHBondContact OG-NE 3.15Å; S50-R54 PolarHBondContact OG-NH2 3Å; F51-R54 PolarHBondContact O-N 2.72Å; F51-R54 VanDerWaalsContact O-N 3.11Å; R54-L57 PolarHBondContact O-N 3.31Å; R54-W58 PolarHBondContact O-N 3.16Å
55	L	47.5	Very low	46.5	Very low	63 Å²	63	106.9 Å²	106.9	33%	0.33	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-43.3	173.3	-177.8	65.6	0	0	0	111.9	F51 A52 W58 K59	F51-L55 HydrophobicContact CE1-CD2 4.15Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 3.26Å; A52-L55 PolarHBondContact O-N 3.28Å; L55-W58 PolarHBondContact O-N 3.23Å; L55-K59 HydrophobicContact CG-CD 4.43Å; L55-K59 WeakPolarHBondContact O-CB 3.3Å; L55-K59 VanDerWaalsContact O-CG 3.31Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 2.84Å
56	E	54	Low	46.2	Very low	146 Å²	146	111.4 Å²	111.4	68%	0.682	58%	0.584	S	S	*	*	H	α-helix	trans	-61	-43.4	172.7	-77.5	-112.2	142.7	0	0	112.1	A52 W58 K59 S60	A52-E56 WeakPolarHBondContact O-CG 3.31Å; A52-E56 PolarHBondContact O-N 3.01Å; E56-W58 PolarHBondContact O-N 3.2Å; E56-K59 PolarHBondContact O-N 3Å; E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.03Å
57	L	51.2	Low	45.9	Very low	116 Å²	116	113.6 Å²	113.6	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-62.1	-42.9	176.2	-164.7	86.4	0	0	0	111.6	K53 R54 S60 L61	K53-L57 PolarHBondContact O-N 2.87Å; K53-L57 VanDerWaalsContact O-N 3.16Å; R54-L57 PolarHBondContact O-N 3.31Å; L57-S60 WeakPolarHBondContact O-CB 3.3Å; L57-S60 PolarHBondContact O-N 3.49Å; L57-L61 HydrophobicContact CD2-CD1 4.44Å; L57-L61 HydrophobicContact CG-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CG 3.3Å; L57-L61 PolarHBondContact O-N 3.46Å
58	W	46.7	Very low	45.8	Very low	140 Å²	140	114 Å²	114	53%	0.53	58%	0.581	S	S	.	*	H	α-helix	trans	-66	-43.9	176.6	-176.6	84.7	0	0	0	111.9	R54 L55 E56 S60 L61 S62	R54-W58 PolarHBondContact O-N 3.16Å; L55-W58 PolarHBondContact O-N 3.23Å; E56-W58 PolarHBondContact O-N 3.2Å; W58-S60 VanDerWaalsContact C-N 3.25Å; W58-S60 PolarHBondContact O-N 2.94Å; W58-L61 CarbonylContact O-C 3.53Å; W58-L61 PolarHBondContact O-N 3.11Å; W58-L61 VanDerWaalsContact O-N 3.07Å; W58-S62 WeakPolarHBondContact O-CB 3.36Å; W58-S62 PolarHBondContact O-N 3.2Å; W58-S62 PolarHBondContact O-OG 2.83Å
59	K	49.2	Very low	45.3	Very low	116 Å²	116	114.4 Å²	114.4	50%	0.504	58%	0.584	S	S	.	*	H	α-helix	trans	-58.7	-36.3	174.2	-75.3	176.8	178.2	-177.9	0	112.3	L55 E56 S62 S63	L55-K59 HydrophobicContact CG-CD 4.43Å; L55-K59 WeakPolarHBondContact O-CB 3.3Å; L55-K59 VanDerWaalsContact O-CG 3.31Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 2.84Å; E56-K59 PolarHBondContact O-N 3Å; K59-S62 WeakPolarHBondContact CA-OG 3.36Å; K59-S63 WeakPolarHBondContact O-CB 3.44Å; K59-S63 PolarHBondContact O-N 3.29Å; K59-S63 PolarHBondContact O-OG 2.97Å
60	S	53.2	Low	44.7	Very low	79 Å²	79	113.4 Å²	113.4	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-67	-40.7	173.5	-177.9	0	0	0	0	112.2	E56 L57 W58 S63	E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.03Å; L57-S60 WeakPolarHBondContact O-CB 3.3Å; L57-S60 PolarHBondContact O-N 3.49Å; W58-S60 VanDerWaalsContact C-N 3.25Å; W58-S60 PolarHBondContact O-N 2.94Å; S60-S63 PolarHBondContact O-OG 2.81Å; S60-S63 VanDerWaalsContact O-OG 3.09Å
61	L	44	Very low	43.8	Very low	113 Å²	113	116.6 Å²	116.6	59%	0.592	60%	0.597	S	S	*	*	H	α-helix	trans	-77	-26.9	178.5	-69.3	167.9	0	0	0	113.9	L57 W58 T64	L57-L61 HydrophobicContact CD2-CD1 4.44Å; L57-L61 HydrophobicContact CG-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CG 3.3Å; L57-L61 PolarHBondContact O-N 3.46Å; W58-L61 CarbonylContact O-C 3.53Å; W58-L61 PolarHBondContact O-N 3.11Å; W58-L61 VanDerWaalsContact O-N 3.07Å; L61-T64 PolarHBondContact O-OG1 3.35Å
62	S	40.7	Very low	43.5	Very low	55 Å²	55	119.4 Å²	119.4	39%	0.385	62%	0.617	S	S	.	*	H	α-helix	trans	-92.9	-16.7	-179.7	64.2	0	0	0	0	113.8	W58 K59 T64	W58-S62 WeakPolarHBondContact O-CB 3.36Å; W58-S62 PolarHBondContact O-N 3.2Å; W58-S62 PolarHBondContact O-OG 2.83Å; K59-S62 WeakPolarHBondContact CA-OG 3.36Å; S62-T64 PolarHBondContact O-N 2.8Å
63	S	43.3	Very low	42.8	Very low	96 Å²	96	121.6 Å²	121.6	67%	0.671	62%	0.621	S	S	*	*	S	Bend	trans	-77.8	-1.4	174.2	53.3	0	0	0	0	113.7	K59 S60	K59-S63 WeakPolarHBondContact O-CB 3.44Å; K59-S63 PolarHBondContact O-N 3.29Å; K59-S63 PolarHBondContact O-OG 2.97Å; S60-S63 PolarHBondContact O-OG 2.81Å; S60-S63 VanDerWaalsContact O-OG 3.09Å
64	T	38.7	Very low	41.9	Very low	95 Å²	95	118.1 Å²	118.1	58%	0.583	62%	0.615	S	S	*	*	S	Bend	trans	-98.2	105.9	171.2	16.8	0	0	0	0	109.7	L61 S62	L61-T64 PolarHBondContact O-OG1 3.35Å; S62-T64 PolarHBondContact O-N 2.8Å
65	C	35.9	Very low	40.9	Very low	89 Å²	89	118 Å²	118	60%	0.601	62%	0.619	S	S	*	*	S	Bend	trans	83.3	103.1	177.6	-67.2	0	0	0	0	118
66	K	32.7	Very low	40.2	Very low	196 Å²	196	115.9 Å²	115.9	85%	0.852	61%	0.61	S	S	*	*			trans	-52.9	130.2	172.4	-65.3	174.4	171.4	-176.3	0	113.5
67	R	37.3	Very low	39.1	Very low	145 Å²	145	111.7 Å²	111.7	55%	0.547	60%	0.595	S	S	.	*			trans	-143.4	114.6	156	-68.2	-174.7	100.8	144.7	-0.5	108.7	L11 D69	L11-R67 PolarHBondContact O-NH1 2.62Å; R67-D69 PolarHBondContact O-N 3.03Å
68	D	36.9	Very low	38.2	Very low	153 Å²	153	107.6 Å²	107.6	82%	0.818	58%	0.576	S	S	*	*			trans	-86.1	24.4	-173.2	-64.3	-46	0	0	0	112.6
69	D	37.6	Very low	37.5	Very low	126 Å²	126	103.3 Å²	103.3	67%	0.674	57%	0.57	S	S	*	*			trans	-119.6	13.3	-162.1	-37.5	-30.3	0	0	0	113.8	R67	R67-D69 PolarHBondContact O-N 3.03Å
70	I	37.5	Very low	36.9	Very low	130 Å²	130	100.4 Å²	100.4	67%	0.667	56%	0.562	S	S	*	*	S	Bend	trans	-104.9	121.6	-175	-57.4	177.6	0	0	0	110.3
71	P	36.5	Very low	36.1	Very low	108 Å²	108	101.2 Å²	101.2	70%	0.701	56%	0.563	S	S	*	*			trans	-62.4	140.8	179.3	-19.4	30.3	0	0	0	113.8	D73	P71-D73 VanDerWaalsContact C-N 3.33Å; P71-D73 PolarHBondContact O-N 2.64Å
72	D	37.6	Very low	35.5	Very low	167 Å²	167	100 Å²	100	89%	0.893	56%	0.557	S	S	*	*	S	Bend	trans	-68	16.7	-160.3	-74.1	-46.7	0	0	0	119.3
73	D	33.5	Very low	35.2	Very low	102 Å²	102	105.7 Å²	105.7	55%	0.545	57%	0.57	S	S	.	*			trans	-137.7	77.2	177.3	-147.7	-15.5	0	0	0	116.9	P71 K75	P71-D73 VanDerWaalsContact C-N 3.33Å; P71-D73 PolarHBondContact O-N 2.64Å; D73-K75 WeakPolarHBondContact OD1-CB 3.24Å; D73-K75 WeakPolarHBondContact OD1-CD 3.45Å; D73-K75 VanDerWaalsContact OD1-CE 3.24Å; D73-K75 WeakPolarHBondContact OD1-CE 3.3Å; D73-K75 WeakPolarHBondContact OD1-CG 3.47Å; D73-K75 IonicContact OD1-NZ 3.52Å; D73-K75 PolarHBondContact OD1-NZ 2.95Å; D73-K75 IonicContact OD2-NZ 3.08Å; D73-K75 PolarHBondContact OD2-NZ 2.85Å
74	P	35.8	Very low	34.6	Very low	97 Å²	97	106.4 Å²	106.4	63%	0.63	56%	0.561	S	S	*	*			trans	-101.5	56.5	169.4	38.8	-31.2	0	0	0	111.6	A76	P74-A76 PolarHBondContact O-N 3.49Å
75	K	29.4	Very low	34.5	Very low	146 Å²	146	108.1 Å²	108.1	64%	0.635	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	14.5	-168.8	-99.7	172.5	-156.6	142.1	0	119.4	D73	D73-K75 WeakPolarHBondContact OD1-CB 3.24Å; D73-K75 WeakPolarHBondContact OD1-CD 3.45Å; D73-K75 VanDerWaalsContact OD1-CE 3.24Å; D73-K75 WeakPolarHBondContact OD1-CE 3.3Å; D73-K75 WeakPolarHBondContact OD1-CG 3.47Å; D73-K75 IonicContact OD1-NZ 3.52Å; D73-K75 PolarHBondContact OD1-NZ 2.95Å; D73-K75 IonicContact OD2-NZ 3.08Å; D73-K75 PolarHBondContact OD2-NZ 2.85Å
76	A	32	Very low	34.3	Very low	18 Å²	18	110.2 Å²	110.2	15%	0.149	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-154.9	35.9	-162.9	0	0	0	0	0	117	K40 M41 P74	K40-A76 CarbonylContact C-O 3.57Å; K40-A76 VanDerWaalsContact CA-O 3.23Å; K40-A76 WeakPolarHBondContact CA-O 3.36Å; K40-A76 HydrophobicContact CG-CB 3.49Å; K40-A76 VanDerWaalsContact CG-CB 3.49Å; M41-A76 PolarHBondContact N-O 3.36Å; M41-A76 WeakPolarHBondContact O-CB 3.38Å; P74-A76 PolarHBondContact O-N 3.49Å
77	V	32.1	Very low	34.2	Very low	58 Å²	58	108.5 Å²	108.5	35%	0.352	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-108.1	125.6	-173.4	-173.6	0	0	0	0	112.6	M38	M38-V77 HydrophobicContact CB-CG1 4.31Å; M38-V77 HydrophobicContact CE-CB 4.29Å; M38-V77 HydrophobicContact CE-CG1 3.4Å; M38-V77 HydrophobicContact CE-CG2 4.01Å; M38-V77 HydrophobicContact CG-CG1 4.19Å
78	S	31.6	Very low	33.9	Very low	30 Å²	30	106.7 Å²	106.7	21%	0.21	58%	0.576	C	S	.	*			trans	-128.7	-1.5	-173.7	73.8	0	0	0	0	118.9	M41	M41-S78 WeakPolarHBondContact CE-OG 3.48Å; M41-S78 WeakPolarHBondContact CG-OG 3.36Å; M41-S78 PolarHBondContact SD-OG 3.42Å
79	A	32.9	Very low	33.5	Very low	50 Å²	50	106.1 Å²	106.1	41%	0.413	57%	0.573	S	S	.	*			trans	-159	138.5	174.3	0	0	0	0	0	112.8
80	V	35.3	Very low	33	Very low	56 Å²	56	108.4 Å²	108.4	34%	0.339	58%	0.584	S	S	.	*			trans	-131.9	117.6	172.3	167.4	0	0	0	0	106.5	I25 M38 L82	I25-V80 HydrophobicContact CD1-CG1 3.92Å; I25-V80 HydrophobicContact CD1-CG2 4.13Å; M38-V80 HydrophobicContact CG-CG2 3.62Å; M38-V80 HydrophobicContact SD-CG2 4.26Å; V80-L82 HydrophobicContact CG1-CD1 3.82Å; V80-L82 HydrophobicContact CG1-CD2 4.21Å; V80-L82 HydrophobicContact CG1-CG 3.57Å
81	V	37.8	Very low	32.7	Very low	95 Å²	95	105.3 Å²	105.3	58%	0.576	58%	0.584	S	S	*	*			trans	-103	103.9	169.2	-178.5	0	0	0	0	107.4	R83	V81-R83 HydrophobicContact CG1-CG 4.45Å
82	L	30.8	Very low	32.4	Very low	87 Å²	87	106 Å²	106	46%	0.455	59%	0.591	S	S	.	*			trans	-96.7	132.3	170.8	-66.9	160.8	0	0	0	108	V80	V80-L82 HydrophobicContact CG1-CD1 3.82Å; V80-L82 HydrophobicContact CG1-CD2 4.21Å; V80-L82 HydrophobicContact CG1-CG 3.57Å
83	R	33.8	Very low	32.1	Very low	176 Å²	176	103.3 Å²	103.3	66%	0.664	59%	0.586	S	S	*	*			trans	-127.8	135.5	166.2	-67.5	-167.1	-164	-179.7	6.5	110.3	V81	V81-R83 HydrophobicContact CG1-CG 4.45Å
84	K	31.9	Very low	31.8	Very low	111 Å²	111	103.4 Å²	103.4	48%	0.483	59%	0.593	S	S	.	*			trans	-69.2	130.8	169.8	-164.5	-178.4	-172.8	-161.6	0	108.6	Y34 E86	Y34-K84 HydrophobicContact CE1-CB 3.95Å; Y34-K84 HydrophobicContact CE1-CG 4.2Å; K84-E86 HydrophobicContact CD-CG 4.05Å; K84-E86 WeakPolarHBondContact CD-OE2 3.39Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 VanDerWaalsContact CE-OE2 3.25Å; K84-E86 WeakPolarHBondContact CE-OE2 3.48Å; K84-E86 HydrophobicContact CG-CG 4.09Å; K84-E86 IonicContact NZ-OE1 3.97Å; K84-E86 PolarHBondContact NZ-OE1 3.03Å; K84-E86 IonicContact NZ-OE2 2.79Å; K84-E86 PolarHBondContact NZ-OE2 3.47Å; K84-E86 PolarHBondContact O-N 2.84Å
85	I	35	Very low	31.4	Very low	131 Å²	131	103 Å²	103	67%	0.672	60%	0.598	S	S	*	*			trans	-88.9	94.2	174	-56.4	174.4	0	0	0	106.8
86	E	31.7	Very low	31.7	Very low	133 Å²	133	100.2 Å²	100.2	62%	0.621	59%	0.594	S	S	*	*			trans	-124.1	135	170.9	-80.8	-175.8	157.2	0	0	110.8	K84	K84-E86 HydrophobicContact CD-CG 4.05Å; K84-E86 WeakPolarHBondContact CD-OE2 3.39Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 VanDerWaalsContact CE-OE2 3.25Å; K84-E86 WeakPolarHBondContact CE-OE2 3.48Å; K84-E86 HydrophobicContact CG-CG 4.09Å; K84-E86 IonicContact NZ-OE1 3.97Å; K84-E86 PolarHBondContact NZ-OE1 3.03Å; K84-E86 IonicContact NZ-OE2 2.79Å; K84-E86 PolarHBondContact NZ-OE2 3.47Å; K84-E86 PolarHBondContact O-N 2.84Å
87	N	32.4	Very low	31.4	Very low	159 Å²	159	103.1 Å²	103.1	85%	0.85	61%	0.609	S	S	*	*			trans	-45.6	151.1	-173.6	-64.4	-34.7	0	0	0	113.7
88	S	29.2	Very low	31.2	Very low	107 Å²	107	108.5 Å²	108.5	75%	0.748	63%	0.631	S	S	*	*			trans	92.1	130.8	160.4	81.4	0	0	0	0	120.1
89	N	28.7	Very low	31	Very low	142 Å²	142	112.2 Å²	112.2	76%	0.759	66%	0.656	S	S	*	*			trans	54.2	104.7	135.1	-59.2	-16.8	0	0	0	123.4
90	L	28.7	Very low	30.8	Very low	174 Å²	174	112.5 Å²	112.5	91%	0.911	65%	0.65	S	S	*	*			trans	63.2	130.1	134.2	-84.4	109.3	0	0	0	122.6
91	G	30	Very low	30.5	Very low	64 Å²	64	114.6 Å²	114.6	66%	0.66	66%	0.659	S	S	*	*				109.6	96.7	128.8	0	0	0	0	0	115.3
92	S	31.1	Very low	30.2	Very low	122 Å²	122	111.9 Å²	111.9	85%	0.853	65%	0.65	S	S	*	*				70	128.4	98.7	119.5	0	0	0	0	112.9
93	S	29.6	Very low	30.2	Very low	111 Å²	111	112.3 Å²	112.3	78%	0.776	65%	0.652	S	S	*	*			cis	-166.1	144.2	21.4	69.9	0	0	0	0	108.1
94	C	27.5	Very low	30.1	Very low	104 Å²	104	106.9 Å²	106.9	70%	0.703	64%	0.636	S	S	*	*			trans	-173.3	138.8	142.4	-161.3	0	0	0	0	110.4	T96	C94-T96 VanDerWaalsContact C-N 3.35Å; C94-T96 PolarHBondContact O-N 3.38Å; C94-T96 PolarHBondContact O-OG1 3.28Å
95	A	28.5	Very low	30.5	Very low	88 Å²	88	102.7 Å²	102.7	73%	0.727	62%	0.618	S	S	*	*	S	Bend	trans	-58.6	91.7	175.5	0	0	0	0	0	111.6
96	T	34.2	Very low	30.5	Very low	89 Å²	89	102.8 Å²	102.8	55%	0.546	61%	0.611	S	S	.	*			trans	-131	19.7	166.2	36.7	0	0	0	0	107.8	C94 L100	C94-T96 VanDerWaalsContact C-N 3.35Å; C94-T96 PolarHBondContact O-N 3.38Å; C94-T96 PolarHBondContact O-OG1 3.28Å; T96-L100 HydrophobicContact CG2-CD1 4.32Å; T96-L100 WeakPolarHBondContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CD1 3.37Å; T96-L100 PolarHBondContact O-N 3.45Å; T96-L100 WeakPolarHBondContact OG1-CD1 3.41Å
97	T	27.2	Very low	30.5	Very low	78 Å²	78	102.1 Å²	102.1	48%	0.479	61%	0.611	S	S	.	*	H	α-helix	trans	-81.3	-30	-143.9	33	0	0	0	0	114.1	N101	T97-N101 WeakPolarHBondContact O-CB 3.05Å; T97-N101 PolarHBondContact O-N 2.85Å; T97-N101 PolarHBondContact O-ND2 3.01Å; T97-N101 PolarHBondContact O-OD1 2.91Å; T97-N101 VanDerWaalsContact O-OD1 3.11Å
98	E	26.6	Very low	30.6	Very low	171 Å²	171	101.3 Å²	101.3	80%	0.799	60%	0.596	S	S	*	*	H	α-helix	trans	-78.3	-43	-177	-72.1	-175.4	155.7	0	0	113.3	N101	E98-N101 PolarHBondContact O-N 3.49Å
99	C	28	Very low	30.8	Very low	109 Å²	109	102.5 Å²	102.5	74%	0.736	60%	0.602	S	S	*	*	H	α-helix	trans	-73.6	-33.8	174.6	-69.5	0	0	0	0	112.5	N101 I103	C99-N101 VanDerWaalsContact C-N 3.32Å; C99-I103 PolarHBondContact O-N 3.3Å
100	L	28.8	Very low	31.6	Very low	55 Å²	55	98.8 Å²	98.8	29%	0.288	58%	0.579	S	S	.	*	H	α-helix	trans	-73	-19.8	170.3	-92.6	135.3	0	0	0	113.3	T96 I103 N104	T96-L100 HydrophobicContact CG2-CD1 4.32Å; T96-L100 WeakPolarHBondContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CD1 3.37Å; T96-L100 PolarHBondContact O-N 3.45Å; T96-L100 WeakPolarHBondContact OG1-CD1 3.41Å; L100-I103 PolarHBondContact O-N 2.94Å; L100-N104 WeakPolarHBondContact O-CA 3.44Å; L100-N104 WeakPolarHBondContact O-CB 3.11Å; L100-N104 PolarHBondContact O-N 3.08Å; L100-N104 PolarHBondContact O-ND2 3.15Å
101	N	30.1	Very low	32.5	Very low	101 Å²	101	97.7 Å²	97.7	54%	0.54	56%	0.562	S	S	.	*	H	α-helix	trans	-68	-38	175.3	-80.8	-20.2	0	0	0	111.4	T97 E98 C99 H105	T97-N101 WeakPolarHBondContact O-CB 3.05Å; T97-N101 PolarHBondContact O-N 2.85Å; T97-N101 PolarHBondContact O-ND2 3.01Å; T97-N101 PolarHBondContact O-OD1 2.91Å; T97-N101 VanDerWaalsContact O-OD1 3.11Å; E98-N101 PolarHBondContact O-N 3.49Å; C99-N101 VanDerWaalsContact C-N 3.32Å; N101-H105 WeakPolarHBondContact O-CB 2.97Å; N101-H105 PolarHBondContact O-N 2.71Å; N101-H105 VanDerWaalsContact O-N 3.11Å
102	G	31.2	Very low	33.2	Very low	37 Å²	37	103.9 Å²	103.9	38%	0.381	57%	0.574	S	S	.	*	H	α-helix	trans	-63.1	-48.4	171.3	0	0	0	0	0	111.6	H105 Y106	G102-H105 WeakPolarHBondContact O-CB 3.19Å; G102-H105 PolarHBondContact O-N 3.18Å; G102-Y106 WeakPolarHBondContact O-CD2 3.39Å; G102-Y106 WeakPolarHBondContact O-CE2 3.33Å; G102-Y106 PolarHBondContact O-N 3.34Å
103	I	31	Very low	34.2	Very low	96 Å²	96	104.3 Å²	104.3	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-70.4	-39.4	-178.4	-63.3	171.9	0	0	0	112.4	C99 L100 H105 Y106 L107	C99-I103 PolarHBondContact O-N 3.3Å; L100-I103 PolarHBondContact O-N 2.94Å; I103-H105 VanDerWaalsContact C-N 3.26Å; I103-H105 PolarHBondContact O-N 3.4Å; I103-Y106 WeakPolarHBondContact O-CB 3.37Å; I103-Y106 PolarHBondContact O-N 2.88Å; I103-Y106 VanDerWaalsContact O-N 3.16Å; I103-L107 HydrophobicContact CG2-CD1 3.88Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 2.73Å; I103-L107 VanDerWaalsContact O-N 3.16Å
104	N	31.9	Very low	35.6	Very low	63 Å²	63	106.4 Å²	106.4	34%	0.337	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-23.6	175.3	-76.5	-40.1	0	0	0	112.4	L100 Y106 L107 R108	L100-N104 WeakPolarHBondContact O-CA 3.44Å; L100-N104 WeakPolarHBondContact O-CB 3.11Å; L100-N104 PolarHBondContact O-N 3.08Å; L100-N104 PolarHBondContact O-ND2 3.15Å; N104-Y106 VanDerWaalsContact C-N 3.34Å; N104-L107 PolarHBondContact O-N 2.79Å; N104-R108 WeakPolarHBondContact O-CB 3.43Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 3.49Å
105	H	38.7	Very low	37.1	Very low	22 Å²	22	103.1 Å²	103.1	10%	0.102	53%	0.526	C	S	.	.	H	α-helix	trans	-65.8	-39.3	170.7	-172.6	43.6	0	0	0	111.5	N101 G102 I103 L107 G216 D217	N101-H105 WeakPolarHBondContact O-CB 2.97Å; N101-H105 PolarHBondContact O-N 2.71Å; N101-H105 VanDerWaalsContact O-N 3.11Å; G102-H105 WeakPolarHBondContact O-CB 3.19Å; G102-H105 PolarHBondContact O-N 3.18Å; I103-H105 VanDerWaalsContact C-N 3.26Å; I103-H105 PolarHBondContact O-N 3.4Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 3.3Å; H105-G216 WeakPolarHBondContact NE2-CA 3.07Å; H105-G216 PolarHBondContact NE2-O 2.73Å; H105-D217 IonicContact CE1-OD1 3.83Å; H105-D217 PolarHBondContact CE1-OD1 2.89Å; H105-D217 IonicContact ND1-OD1 2.8Å
106	Y	35.7	Very low	38.6	Very low	134 Å²	134	101.6 Å²	101.6	53%	0.525	51%	0.51	S	S	.	.	H	α-helix	trans	-71.3	-24.2	174.1	-64	-69.1	0	0	0	113.4	G102 I103 N104 N293	G102-Y106 WeakPolarHBondContact O-CD2 3.39Å; G102-Y106 WeakPolarHBondContact O-CE2 3.33Å; G102-Y106 PolarHBondContact O-N 3.34Å; I103-Y106 WeakPolarHBondContact O-CB 3.37Å; I103-Y106 PolarHBondContact O-N 2.88Å; I103-Y106 VanDerWaalsContact O-N 3.16Å; N104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-N293 WeakPolarHBondContact CD1-O 3.44Å
107	L	30.8	Very low	39.6	Very low	119 Å²	119	100.8 Å²	100.8	62%	0.623	51%	0.512	S	S	*	.	H	α-helix	trans	-102.4	-2.2	-176.2	-62.2	175.5	0	0	0	114.6	I103 N104 H105	I103-L107 HydrophobicContact CG2-CD1 3.88Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 2.73Å; I103-L107 VanDerWaalsContact O-N 3.16Å; N104-L107 PolarHBondContact O-N 2.79Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 3.3Å
108	R	35.8	Very low	41.3	Very low	141 Å²	141	100.6 Å²	100.6	53%	0.532	51%	0.514	S	S	.	.	S	Bend	trans	-74.9	132.3	178.6	-96.3	-179.7	177.9	178.3	2.2	110.8	N104 K110 N214	N104-R108 WeakPolarHBondContact O-CB 3.43Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 3.49Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.5Å; R108-N214 PolarHBondContact NH1-ND2 3.44Å
109	P	33.6	Very low	42.8	Very low	133 Å²	133	93.2 Å²	93.2	86%	0.864	48%	0.481	S	S	*	.			trans	-61.1	98.5	161.6	-13.8	27.3	0	0	0	107.7
110	K	44.6	Very low	44.3	Very low	64 Å²	64	88.8 Å²	88.8	28%	0.278	45%	0.449	S	S	.	.			trans	-63.1	148.3	173.5	-81.5	-169.2	172.3	-178.2	0	109.1	R108 E290 N293	R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.5Å; K110-E290 IonicContact NZ-OE1 3.32Å; K110-E290 PolarHBondContact NZ-OE1 2.9Å; K110-E290 IonicContact NZ-OE2 3.34Å; K110-E290 PolarHBondContact NZ-OE2 3.47Å; K110-N293 PolarHBondContact NZ-ND2 3Å
111	R	48.6	Very low	45.8	Very low	151 Å²	151	92.1 Å²	92.1	57%	0.57	46%	0.464	S	S	*	.	S	Bend	trans	-33.6	140.7	177.1	-64.6	177.9	177.6	177.6	2.1	111.1	R113 D265	R111-R113 PolarHBondContact O-N 3.16Å; R111-D265 IonicContact CZ-OD2 2.81Å; R111-D265 IonicContact NH1-OD2 3.15Å; R111-D265 PolarHBondContact NH1-OD2 3.15Å
112	Q	44.4	Very low	47.5	Very low	193 Å²	193	89.1 Å²	89.1	90%	0.902	45%	0.453	S	S	*	.			trans	-38.4	113.2	177.8	-84.2	-169.2	-18.8	0	0	110	K114	Q112-K114 PolarHBondContact O-N 3.48Å
113	R	51	Low	48.7	Very low	131 Å²	131	87.7 Å²	87.7	49%	0.494	44%	0.436	S	S	.	.			trans	-60.9	124.3	-176.7	-61.8	-175.2	-169.7	159.3	11.1	107.4	R111	R111-R113 PolarHBondContact O-N 3.16Å
114	K	60	Low	50	Low	156 Å²	156	84.5 Å²	84.5	68%	0.678	42%	0.42	S	S	*	.	S	Bend	trans	-76.1	-16.7	170.7	-71.7	-174.2	178.8	177.7	0	112.4	Q112	Q112-K114 PolarHBondContact O-N 3.48Å
115	F	57.6	Low	51.4	Low	35 Å²	35	84.5 Å²	84.5	15%	0.154	42%	0.424	C	S	.	.	S	Bend	trans	-74.6	125.9	168.5	-60.2	-65.4	0	0	0	109	T119 I120 Q264 M287 L318	F115-T119 HydrophobicContact CB-CG2 4.24Å; F115-T119 HydrophobicContact CD1-CG2 4.08Å; F115-T119 HydrophobicContact CG-CG2 4.46Å; F115-I120 HydrophobicContact CB-CG1 4.28Å; F115-Q264 HydrophobicContact CE2-CG 4.37Å; F115-M287 HydrophobicContact CE1-CE 4.07Å; F115-M287 HydrophobicContact CE2-CE 4.05Å; F115-M287 HydrophobicContact CZ-CE 3.54Å; F115-L318 HydrophobicContact CD1-CD1 4.37Å; F115-L318 HydrophobicContact CE1-CD1 4.33Å
116	S	60.2	Low	52.3	Low	56 Å²	56	88 Å²	88	39%	0.392	44%	0.437	S	S	.	.			trans	-59.4	152.7	173.7	60.3	0	0	0	0	110	S118 T119 I120	S116-S118 WeakPolarHBondContact CB-OG 3.38Å; S116-S118 PolarHBondContact O-N 3.42Å; S116-S118 VanDerWaalsContact O-N 3.15Å; S116-S118 PolarHBondContact OG-OG 3.48Å; S116-T119 WeakPolarHBondContact O-CB 3.05Å; S116-T119 PolarHBondContact O-N 3.16Å; S116-T119 PolarHBondContact OG-N 3.32Å; S116-T119 PolarHBondContact OG-OG1 3.11Å; S116-I120 PolarHBondContact O-N 3.36Å
117	A	56.8	Low	53.2	Low	71 Å²	71	82.8 Å²	82.8	59%	0.587	42%	0.418	S	S	*	.	H	α-helix	trans	-54.2	-33.1	172.9	0	0	0	0	0	111.6	I120 Q121	A117-I120 PolarHBondContact O-N 3.38Å; A117-Q121 WeakPolarHBondContact O-CB 3.46Å; A117-Q121 WeakPolarHBondContact O-CG 3.5Å; A117-Q121 PolarHBondContact O-N 2.71Å
118	S	61.5	Low	54.3	Low	75 Å²	75	84.6 Å²	84.6	52%	0.524	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-39.7	175.2	58	0	0	0	0	113.2	S116 I120 Q121 A122	S116-S118 WeakPolarHBondContact CB-OG 3.38Å; S116-S118 PolarHBondContact O-N 3.42Å; S116-S118 VanDerWaalsContact O-N 3.15Å; S116-S118 PolarHBondContact OG-OG 3.48Å; S118-I120 VanDerWaalsContact C-N 3.33Å; S118-I120 PolarHBondContact O-N 3.44Å; S118-Q121 PolarHBondContact O-N 3.47Å; S118-A122 VanDerWaalsContact O-CB 3.3Å; S118-A122 WeakPolarHBondContact O-CB 3.06Å; S118-A122 PolarHBondContact O-N 3.35Å
119	T	58.5	Low	55.3	Low	15 Å²	15	82.5 Å²	82.5	9%	0.092	42%	0.419	C	S	.	.	H	α-helix	trans	-61.4	-44.3	174.5	-60.9	0	0	0	0	111.3	F115 S116 A122 L123 L318	F115-T119 HydrophobicContact CB-CG2 4.24Å; F115-T119 HydrophobicContact CD1-CG2 4.08Å; F115-T119 HydrophobicContact CG-CG2 4.46Å; S116-T119 WeakPolarHBondContact O-CB 3.05Å; S116-T119 PolarHBondContact O-N 3.16Å; S116-T119 PolarHBondContact OG-N 3.32Å; S116-T119 PolarHBondContact OG-OG1 3.11Å; T119-A122 PolarHBondContact O-N 2.94Å; T119-L123 HydrophobicContact CG2-CD1 4.24Å; T119-L123 WeakPolarHBondContact O-CG 3.17Å; T119-L123 PolarHBondContact O-N 3.11Å; T119-L318 HydrophobicContact CG2-CD1 3.33Å; T119-L318 HydrophobicContact CG2-CD2 3.52Å; T119-L318 HydrophobicContact CG2-CG 4.05Å; T119-L318 VanDerWaalsContact OG1-CD2 3.24Å; T119-L318 WeakPolarHBondContact OG1-CD2 3.38Å
120	I	59.3	Low	56.1	Low	16 Å²	16	79.2 Å²	79.2	8%	0.082	39%	0.394	C	S	.	.	H	α-helix	trans	-67	-44.5	-179.8	-59.7	177.6	0	0	0	109.9	F115 S116 A117 S118 A122 L123 E124	F115-I120 HydrophobicContact CB-CG1 4.28Å; S116-I120 PolarHBondContact O-N 3.36Å; A117-I120 PolarHBondContact O-N 3.38Å; S118-I120 VanDerWaalsContact C-N 3.33Å; S118-I120 PolarHBondContact O-N 3.44Å; I120-A122 PolarHBondContact O-N 2.97Å; I120-L123 WeakPolarHBondContact O-CB 3.32Å; I120-L123 PolarHBondContact O-N 3.31Å; I120-E124 HydrophobicContact CG2-CG 4.43Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.35Å; I120-E124 VanDerWaalsContact O-CG 3.3Å; I120-E124 WeakPolarHBondContact O-CG 3.22Å; I120-E124 PolarHBondContact O-N 2.91Å
121	Q	61.1	Low	56.2	Low	125 Å²	125	79.6 Å²	79.6	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-43.3	174.4	-77.1	178	-10.5	0	0	112.1	A117 S118 L123 E124 S125	A117-Q121 WeakPolarHBondContact O-CB 3.46Å; A117-Q121 WeakPolarHBondContact O-CG 3.5Å; A117-Q121 PolarHBondContact O-N 2.71Å; S118-Q121 PolarHBondContact O-N 3.47Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.26Å; Q121-E124 PolarHBondContact O-N 2.82Å; Q121-S125 WeakPolarHBondContact O-CB 3.33Å; Q121-S125 PolarHBondContact O-N 3.18Å; Q121-S125 PolarHBondContact O-OG 3Å
122	A	64.1	Low	56.1	Low	39 Å²	39	76.9 Å²	76.9	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.3	0	0	0	0	0	111.9	S118 T119 I120 R126	S118-A122 VanDerWaalsContact O-CB 3.3Å; S118-A122 WeakPolarHBondContact O-CB 3.06Å; S118-A122 PolarHBondContact O-N 3.35Å; T119-A122 PolarHBondContact O-N 2.94Å; I120-A122 PolarHBondContact O-N 2.97Å; A122-R126 WeakPolarHBondContact O-CG 3.26Å; A122-R126 PolarHBondContact O-N 3.23Å
123	L	57.6	Low	55.9	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-60.1	-53.5	172.7	-78.6	159.8	0	0	0	111.3	T119 I120 Q121 S125 R126 L127 I291 L311 L314	T119-L123 HydrophobicContact CG2-CD1 4.24Å; T119-L123 WeakPolarHBondContact O-CG 3.17Å; T119-L123 PolarHBondContact O-N 3.11Å; I120-L123 WeakPolarHBondContact O-CB 3.32Å; I120-L123 PolarHBondContact O-N 3.31Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.26Å; L123-S125 VanDerWaalsContact C-N 3.28Å; L123-S125 PolarHBondContact O-N 2.97Å; L123-R126 PolarHBondContact O-N 3.43Å; L123-L127 WeakPolarHBondContact O-CB 3.17Å; L123-L127 VanDerWaalsContact O-CG 3.22Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-I291 HydrophobicContact CD1-CD1 3.53Å; L123-L311 HydrophobicContact CD2-CD1 3.72Å; L123-L311 HydrophobicContact CD2-CG 4.23Å; L123-L314 HydrophobicContact CB-CD2 4.41Å; L123-L314 HydrophobicContact CD1-CD2 4.02Å; L123-L314 HydrophobicContact CD2-CD2 3.3Å; L123-L314 HydrophobicContact CG-CD2 3.24Å
124	E	57.2	Low	55.4	Low	30 Å²	30	70 Å²	70	14%	0.14	42%	0.416	C	S	.	.	H	α-helix	trans	-59.7	-39.3	-178.4	-70.7	-179.5	-162.9	0	0	112.5	I120 Q121 R128 R295	I120-E124 HydrophobicContact CG2-CG 4.43Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.35Å; I120-E124 VanDerWaalsContact O-CG 3.3Å; I120-E124 WeakPolarHBondContact O-CG 3.22Å; I120-E124 PolarHBondContact O-N 2.91Å; Q121-E124 PolarHBondContact O-N 2.82Å; E124-R128 WeakPolarHBondContact O-CG 3.29Å; E124-R128 PolarHBondContact O-N 3.15Å; E124-R128 PolarHBondContact O-NE 3.46Å; E124-R128 IonicContact OE2-NH2 2.77Å; E124-R128 PolarHBondContact OE2-NH2 3.37Å; E124-R295 IonicContact OE1-CZ 2.92Å; E124-R295 IonicContact OE1-NH1 3.33Å; E124-R295 PolarHBondContact OE1-NH1 2.8Å; E124-R295 VanDerWaalsContact OE1-NH1 3.08Å; E124-R295 IonicContact OE1-NH2 2.79Å; E124-R295 PolarHBondContact OE1-NH2 3.3Å; E124-R295 IonicContact OE2-CZ 2.69Å; E124-R295 IonicContact OE2-NH1 2.62Å; E124-R295 PolarHBondContact OE2-NH1 3.24Å; E124-R295 IonicContact OE2-NH2 3.46Å; E124-R295 PolarHBondContact OE2-NH2 2.94Å; E124-R295 VanDerWaalsContact OE2-NH2 3.15Å
125	S	61.1	Low	54.4	Low	62 Å²	62	71.8 Å²	71.8	43%	0.434	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-45.2	176.3	-65.6	0	0	0	0	112.1	Q121 L123 L127 R128 T129	Q121-S125 WeakPolarHBondContact O-CB 3.33Å; Q121-S125 PolarHBondContact O-N 3.18Å; Q121-S125 PolarHBondContact O-OG 3Å; L123-S125 VanDerWaalsContact C-N 3.28Å; L123-S125 PolarHBondContact O-N 2.97Å; S125-L127 PolarHBondContact O-N 2.82Å; S125-R128 PolarHBondContact O-N 3.47Å; S125-T129 PolarHBondContact O-N 2.85Å; S125-T129 VanDerWaalsContact O-N 3.15Å; S125-T129 PolarHBondContact O-OG1 3.1Å
126	R	59.3	Low	53.8	Low	95 Å²	95	77.2 Å²	77.2	36%	0.358	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-42	176.8	-74.3	-174.2	76.1	174.5	2.1	111.6	A122 L123 R128 T129 I130 S310	A122-R126 WeakPolarHBondContact O-CG 3.26Å; A122-R126 PolarHBondContact O-N 3.23Å; L123-R126 PolarHBondContact O-N 3.43Å; R126-R128 PolarHBondContact O-N 3.33Å; R126-T129 WeakPolarHBondContact O-CB 3.16Å; R126-T129 PolarHBondContact O-N 2.91Å; R126-T129 VanDerWaalsContact O-N 3.16Å; R126-I130 WeakPolarHBondContact O-CG1 3.48Å; R126-I130 PolarHBondContact O-N 3.43Å; R126-I130 VanDerWaalsContact O-N 3.13Å; R126-S310 PolarHBondContact NH1-O 3.38Å; R126-S310 VanDerWaalsContact NH2-CB 3.26Å; R126-S310 PolarHBondContact NH2-OG 3.04Å; R126-S310 VanDerWaalsContact NH2-OG 3.12Å
127	L	53.8	Low	52.6	Low	25 Å²	25	82.1 Å²	82.1	13%	0.131	48%	0.48	C	S	.	.	H	α-helix	trans	-66.5	-37	178.9	-67.5	175.6	0	0	0	113.1	L123 S125 T129 I130 G131 F292 L302 C307	L123-L127 WeakPolarHBondContact O-CB 3.17Å; L123-L127 VanDerWaalsContact O-CG 3.22Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; S125-L127 PolarHBondContact O-N 2.82Å; L127-T129 VanDerWaalsContact C-N 3.27Å; L127-T129 PolarHBondContact O-N 3.09Å; L127-I130 HydrophobicContact CD2-CD1 4.32Å; L127-I130 PolarHBondContact O-N 3.21Å; L127-G131 PolarHBondContact O-N 2.97Å; L127-F292 HydrophobicContact CD1-CE1 4.07Å; L127-F292 HydrophobicContact CD1-CE2 3.48Å; L127-F292 VanDerWaalsContact CD1-CE2 3.48Å; L127-F292 HydrophobicContact CD1-CZ 3.1Å; L127-L302 HydrophobicContact CB-CD2 4.21Å; L127-L302 HydrophobicContact CD1-CD2 3.7Å; L127-L302 HydrophobicContact CD2-CD2 3.38Å; L127-L302 HydrophobicContact CG-CD2 3.93Å; L127-C307 WeakPolarHBondContact CD2-SG 3.24Å
128	R	54.2	Low	51.8	Low	158 Å²	158	81.8 Å²	81.8	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-39.8	171.5	-83.1	-175.7	-91	-123	-2.1	111.9	E124 S125 R126 I130 G131 S132	E124-R128 WeakPolarHBondContact O-CG 3.29Å; E124-R128 PolarHBondContact O-N 3.15Å; E124-R128 PolarHBondContact O-NE 3.46Å; E124-R128 IonicContact OE2-NH2 2.77Å; E124-R128 PolarHBondContact OE2-NH2 3.37Å; S125-R128 PolarHBondContact O-N 3.47Å; R126-R128 PolarHBondContact O-N 3.33Å; R128-I130 VanDerWaalsContact C-N 3.34Å; R128-I130 PolarHBondContact O-N 3.11Å; R128-G131 PolarHBondContact O-N 2.81Å; R128-S132 PolarHBondContact O-N 3.39Å; R128-S132 PolarHBondContact O-OG 2.69Å
129	T	56	Low	50.7	Low	96 Å²	96	85.6 Å²	85.6	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-35	-179.4	-46.2	0	0	0	0	112	S125 R126 L127 G131 S132	S125-T129 PolarHBondContact O-N 2.85Å; S125-T129 VanDerWaalsContact O-N 3.15Å; S125-T129 PolarHBondContact O-OG1 3.1Å; R126-T129 WeakPolarHBondContact O-CB 3.16Å; R126-T129 PolarHBondContact O-N 2.91Å; R126-T129 VanDerWaalsContact O-N 3.16Å; L127-T129 VanDerWaalsContact C-N 3.27Å; L127-T129 PolarHBondContact O-N 3.09Å; T129-G131 VanDerWaalsContact C-N 3.33Å; T129-S132 PolarHBondContact O-N 3.11Å; T129-S132 PolarHBondContact O-OG 3.2Å; T129-S132 VanDerWaalsContact O-OG 3.09Å
130	I	51.9	Low	50.3	Low	64 Å²	64	94.2 Å²	94.2	33%	0.328	54%	0.539	S	S	.	.	H	α-helix	trans	-68.7	-32.9	178	-65	165.5	0	0	0	111.3	R126 L127 R128 C307	R126-I130 WeakPolarHBondContact O-CG1 3.48Å; R126-I130 PolarHBondContact O-N 3.43Å; R126-I130 VanDerWaalsContact O-N 3.13Å; L127-I130 HydrophobicContact CD2-CD1 4.32Å; L127-I130 PolarHBondContact O-N 3.21Å; R128-I130 VanDerWaalsContact C-N 3.34Å; R128-I130 PolarHBondContact O-N 3.11Å; I130-C307 HydrophobicContact CD1-CB 4.03Å
131	G	45.4	Very low	49.4	Very low	73 Å²	73	103 Å²	103	75%	0.753	58%	0.577	S	S	*	*	H	α-helix	trans	-78	-13.1	178.3	0	0	0	0	0	115.3	L127 R128 T129	L127-G131 PolarHBondContact O-N 2.97Å; R128-G131 PolarHBondContact O-N 2.81Å; T129-G131 VanDerWaalsContact C-N 3.33Å
132	S	47.1	Very low	48.4	Very low	94 Å²	94	102.1 Å²	102.1	66%	0.657	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	5.3	-174.4	55.9	0	0	0	0	114.6	R128 T129	R128-S132 PolarHBondContact O-N 3.39Å; R128-S132 PolarHBondContact O-OG 2.69Å; T129-S132 PolarHBondContact O-N 3.11Å; T129-S132 PolarHBondContact O-OG 3.2Å; T129-S132 VanDerWaalsContact O-OG 3.09Å
133	G	41.1	Very low	47.6	Very low	51 Å²	51	106 Å²	106	53%	0.526	61%	0.611	S	S	.	*	S	Bend	trans	-97.1	100.6	-175.9	0	0	0	0	0	114
134	T	38.6	Very low	47.1	Very low	128 Å²	128	110.9 Å²	110.9	79%	0.785	65%	0.651	S	S	*	*			trans	56.4	96.4	149.9	40.5	0	0	0	0	118.7	D136	T134-D136 PolarHBondContact O-N 3.46Å
135	E	39.4	Very low	46.8	Very low	193 Å²	193	113.4 Å²	113.4	90%	0.902	67%	0.668	S	S	*	*			trans	-63.3	104.6	141.3	-68.4	-172.8	164.7	0	0	107.8
136	D	45.2	Very low	46.3	Very low	149 Å²	149	120.9 Å²	120.9	80%	0.797	69%	0.687	S	S	*	*			trans	-118.5	118.8	165.6	-149.7	-0.4	0	0	0	109.4	T134 G138	T134-D136 PolarHBondContact O-N 3.46Å; D136-G138 PolarHBondContact O-N 3.45Å
137	N	35.8	Very low	45.8	Very low	160 Å²	160	120.4 Å²	120.4	86%	0.856	70%	0.697	S	S	*	*			trans	-75.4	105.8	-173.2	-78.9	-60.1	0	0	0	109.9
138	G	40.1	Very low	45.5	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	71%	0.71	S	S	*	*			trans	-139.6	93.3	177.4	0	0	0	0	0	112.8	D136 K140	D136-G138 PolarHBondContact O-N 3.45Å; G138-K140 PolarHBondContact O-N 3.35Å
139	V	38.6	Very low	45.3	Very low	155 Å²	155	118.6 Å²	118.6	94%	0.939	71%	0.706	S	S	*	*			trans	-59.1	105.9	170.2	177.8	0	0	0	0	109.3
140	K	49.3	Very low	44.9	Very low	196 Å²	196	118.1 Å²	118.1	85%	0.852	70%	0.699	S	S	*	*			trans	-124.6	118.9	170.9	-75.3	-175.9	-179.4	173.9	0	111.3	G138	G138-K140 PolarHBondContact O-N 3.35Å
141	K	41.3	Very low	45.3	Very low	202 Å²	202	122.1 Å²	122.1	88%	0.878	71%	0.714	S	S	*	*			trans	-27.6	124.9	173.6	-131.6	170	-179.6	176.8	0	114.6	T143	K141-T143 PolarHBondContact O-N 2.8Å; K141-T143 VanDerWaalsContact O-N 3.13Å
142	A	39.1	Very low	45.4	Very low	106 Å²	106	122.1 Å²	122.1	88%	0.876	70%	0.697	S	S	*	*			trans	-65.7	105.1	173.8	0	0	0	0	0	111.5
143	T	48.4	Very low	45.8	Very low	121 Å²	121	120.8 Å²	120.8	74%	0.742	69%	0.685	S	S	*	*			trans	-81.4	127.4	159.8	35.9	0	0	0	0	108.7	K141 V145	K141-T143 PolarHBondContact O-N 2.8Å; K141-T143 VanDerWaalsContact O-N 3.13Å; T143-V145 PolarHBondContact O-N 3.23Å
144	A	47.1	Very low	46.3	Very low	107 Å²	107	124.4 Å²	124.4	88%	0.884	68%	0.683	S	S	*	*			trans	-59.8	101.3	-179.8	0	0	0	0	0	111
145	V	50.8	Low	47.3	Very low	83 Å²	83	120.7 Å²	120.7	50%	0.503	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-73.2	130.5	174.6	-179.2	0	0	0	0	108.1	T143 A172	T143-V145 PolarHBondContact O-N 3.23Å; V145-A172 HydrophobicContact CG1-CB 3.97Å
146	R	49.9	Very low	48.1	Very low	219 Å²	219	120.4 Å²	120.4	83%	0.826	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-74.1	135.8	175.6	-78.3	-179.9	173.7	166.1	-1.2	109.2	C148	R146-C148 PolarHBondContact O-N 3.12Å
147	P	47.7	Very low	49.3	Very low	86 Å²	86	124.5 Å²	124.5	56%	0.558	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-59.9	125.1	179	23.2	-32.6	0	0	0	110.3
148	C	48.6	Very low	51.1	Low	62 Å²	62	121.9 Å²	121.9	42%	0.419	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-73.3	127.8	172.6	-80.8	0	0	0	0	109.5	R146 M167 A172	R146-C148 PolarHBondContact O-N 3.12Å; C148-M167 PolarHBondContact O-N 3.5Å; C148-A172 HydrophobicContact CB-CB 4.24Å
149	T	50.5	Low	52.5	Low	82 Å²	82	129.5 Å²	129.5	50%	0.503	68%	0.681	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	129.7	176.8	57.8	0	0	0	0	110.3	V164 I165 N166	T149-V164 HydrophobicContact CG2-CG1 4.06Å; T149-I165 CarbonylContact C-O 3.58Å; T149-I165 WeakPolarHBondContact CA-O 3.44Å; T149-N166 VanDerWaalsContact CG2-OD1 3.3Å; T149-N166 WeakPolarHBondContact CG2-OD1 3.27Å
150	L	46.4	Very low	54.2	Low	86 Å²	86	128.7 Å²	128.7	45%	0.45	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	113.5	171.6	179.2	65.2	0	0	0	108.9	I152 V164 I165 M167	L150-I152 HydrophobicContact CD2-CD1 4.05Å; L150-I152 HydrophobicContact CD2-CG1 4.22Å; L150-I152 HydrophobicContact CG-CD1 4.41Å; L150-I152 HydrophobicContact CG-CG1 4.04Å; L150-V164 WeakPolarHBondContact O-CA 3.49Å; L150-I165 HydrophobicContact CB-CB 4.38Å; L150-I165 PolarHBondContact N-O 3.43Å; L150-I165 PolarHBondContact O-N 2.87Å; L150-M167 HydrophobicContact CB-CG 4.4Å
151	K	59.9	Low	54.6	Low	148 Å²	148	126 Å²	126	64%	0.643	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.2	111.9	178	-171.2	176.9	-177.9	178.3	0	110	T162 V164	K151-T162 HydrophobicContact CD-CG2 4.13Å; K151-T162 HydrophobicContact CG-CG2 3.47Å; K151-T162 VanDerWaalsContact CG-CG2 3.47Å; K151-V164 HydrophobicContact CG-CG2 4.4Å
152	I	48.8	Very low	55.7	Low	74 Å²	74	119.5 Å²	119.5	38%	0.379	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	116.1	176.5	-54.5	178	0	0	0	108.8	L150 T162 T163 I165	L150-I152 HydrophobicContact CD2-CD1 4.05Å; L150-I152 HydrophobicContact CD2-CG1 4.22Å; L150-I152 HydrophobicContact CG-CD1 4.41Å; L150-I152 HydrophobicContact CG-CG1 4.04Å; I152-T162 CarbonylContact O-C 3.52Å; I152-T162 WeakPolarHBondContact O-CA 3.38Å; I152-T163 PolarHBondContact N-O 3.36Å; I152-T163 PolarHBondContact O-N 3.08Å; I152-I165 HydrophobicContact CD1-CD1 3.78Å
153	T	55.1	Low	56.4	Low	66 Å²	66	117.6 Å²	117.6	41%	0.405	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	124.7	174.6	-58.4	0	0	0	0	110.2	K160 K161 T162	T153-K160 HydrophobicContact CG2-CB 3.86Å; T153-K160 HydrophobicContact CG2-CD 3.92Å; T153-K160 HydrophobicContact CG2-CG 4Å; T153-K161 CarbonylContact C-O 3.54Å; T153-K161 WeakPolarHBondContact CA-O 3.49Å; T153-T162 WeakPolarHBondContact CG2-OG1 2.87Å; T153-T162 PolarHBondContact OG1-OG1 2.75Å
154	Y	51.9	Low	57.1	Low	126 Å²	126	115.6 Å²	115.6	49%	0.494	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.1	149.8	-180	62	-83.1	0	0	0	111.7	K160 K161	Y154-K160 CarbonylContact O-C 3.6Å; Y154-K160 WeakPolarHBondContact O-CA 3.09Å; Y154-K161 HydrophobicContact CD2-CB 4.43Å; Y154-K161 HydrophobicContact CE1-CB 4.02Å; Y154-K161 HydrophobicContact CE2-CB 3.94Å; Y154-K161 HydrophobicContact CE2-CD 4.39Å; Y154-K161 PolarHBondContact N-O 2.77Å; Y154-K161 PolarHBondContact O-N 3.35Å
155	G	59.1	Low	57.4	Low	51 Å²	51	113.9 Å²	113.9	53%	0.526	57%	0.57	S	S	.	*	S	Bend	trans	115.4	165.2	-178.1	0	0	0	0	0	113.8
156	K	55.5	Low	57.8	Low	187 Å²	187	115.7 Å²	115.7	81%	0.813	58%	0.577	S	S	*	*	S	Bend	trans	-96.6	131	-177.7	-70.3	-173.9	178.8	-179	0	111.4	A158 R159	K156-A158 PolarHBondContact O-N 2.78Å; K156-A158 VanDerWaalsContact O-N 3.08Å; K156-R159 PolarHBondContact O-N 3.08Å
157	R	72.1	Confident	57.5	Low	234 Å²	234	108.6 Å²	108.6	88%	0.883	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	44.5	-107.9	171.9	-62.7	-176.1	-177.8	175	0	113	R159 K160	R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3.17Å; R157-K160 WeakPolarHBondContact O-CG 3.22Å
158	A	72.5	Confident	57.5	Low	106 Å²	106	108 Å²	108	88%	0.876	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-75.1	-9	-174.9	0	0	0	0	0	114.6	K156	K156-A158 PolarHBondContact O-N 2.78Å; K156-A158 VanDerWaalsContact O-N 3.08Å
159	R	68.9	Low	57.6	Low	223 Å²	223	110 Å²	110	84%	0.842	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-109.9	33.1	178.6	-61	-174.1	-178.6	-174.7	0.6	112.5	K156 R157 K161	K156-R159 PolarHBondContact O-N 3.08Å; R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3.17Å; R159-K161 PolarHBondContact O-N 2.88Å
160	K	74.7	Confident	57.6	Low	137 Å²	137	114.5 Å²	114.5	60%	0.596	57%	0.572	S	S	*	*			trans	-70.2	120	174.3	-78.7	177.7	-179.9	-173.4	0	109.3	T153 Y154 R157	T153-K160 HydrophobicContact CG2-CB 3.86Å; T153-K160 HydrophobicContact CG2-CD 3.92Å; T153-K160 HydrophobicContact CG2-CG 4Å; Y154-K160 CarbonylContact O-C 3.6Å; Y154-K160 WeakPolarHBondContact O-CA 3.09Å; R157-K160 WeakPolarHBondContact O-CG 3.22Å
161	K	59.2	Low	57.8	Low	140 Å²	140	117.1 Å²	117.1	61%	0.609	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	139.1	164.9	-74.1	-172.6	175.1	-173.7	0	108.3	T153 Y154 R159	T153-K161 CarbonylContact C-O 3.54Å; T153-K161 WeakPolarHBondContact CA-O 3.49Å; Y154-K161 HydrophobicContact CD2-CB 4.43Å; Y154-K161 HydrophobicContact CE1-CB 4.02Å; Y154-K161 HydrophobicContact CE2-CB 3.94Å; Y154-K161 HydrophobicContact CE2-CD 4.39Å; Y154-K161 PolarHBondContact N-O 2.77Å; Y154-K161 PolarHBondContact O-N 3.35Å; R159-K161 PolarHBondContact O-N 2.88Å
162	T	64	Low	57.2	Low	66 Å²	66	110.9 Å²	110.9	41%	0.405	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	176.8	-60.1	0	0	0	0	108.7	K151 I152 T153	K151-T162 HydrophobicContact CD-CG2 4.13Å; K151-T162 HydrophobicContact CG-CG2 3.47Å; K151-T162 VanDerWaalsContact CG-CG2 3.47Å; I152-T162 CarbonylContact O-C 3.52Å; I152-T162 WeakPolarHBondContact O-CA 3.38Å; T153-T162 WeakPolarHBondContact CG2-OG1 2.87Å; T153-T162 PolarHBondContact OG1-OG1 2.75Å
163	T	54.1	Low	57.1	Low	65 Å²	65	110.5 Å²	110.5	40%	0.399	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	171.1	-56.5	0	0	0	0	108	I152 I165	I152-T163 PolarHBondContact N-O 3.36Å; I152-T163 PolarHBondContact O-N 3.08Å; T163-I165 HydrophobicContact CG2-CG1 4.3Å
164	V	62.7	Low	56.4	Low	80 Å²	80	113.6 Å²	113.6	49%	0.485	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	121.1	174.8	-176.8	0	0	0	0	106.9	T149 L150 K151	T149-V164 HydrophobicContact CG2-CG1 4.06Å; L150-V164 WeakPolarHBondContact O-CA 3.49Å; K151-V164 HydrophobicContact CG-CG2 4.4Å
165	I	52.3	Low	56.1	Low	70 Å²	70	112.7 Å²	112.7	36%	0.359	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	120	177.1	-55.6	174.1	0	0	0	106.5	T149 L150 I152 T163 M167	T149-I165 CarbonylContact C-O 3.58Å; T149-I165 WeakPolarHBondContact CA-O 3.44Å; L150-I165 HydrophobicContact CB-CB 4.38Å; L150-I165 PolarHBondContact N-O 3.43Å; L150-I165 PolarHBondContact O-N 2.87Å; I152-I165 HydrophobicContact CD1-CD1 3.78Å; T163-I165 HydrophobicContact CG2-CG1 4.3Å; I165-M167 PolarHBondContact O-N 2.83Å
166	N	59.9	Low	55	Low	121 Å²	121	117.3 Å²	117.3	65%	0.647	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.9	118	171.5	-61.9	-25	0	0	0	107.2	T149	T149-N166 VanDerWaalsContact CG2-OD1 3.3Å; T149-N166 WeakPolarHBondContact CG2-OD1 3.27Å
167	M	44.5	Very low	54.6	Low	70 Å²	70	117.1 Å²	117.1	35%	0.345	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-83.2	139.7	175.8	-68	-81.2	-77	0	0	108.5	C148 L150 I165 Y171	C148-M167 PolarHBondContact O-N 3.5Å; L150-M167 HydrophobicContact CB-CG 4.4Å; I165-M167 PolarHBondContact O-N 2.83Å; M167-Y171 HydrophobicContact CE-CD1 4.45Å; M167-Y171 HydrophobicContact CE-CD2 4.3Å; M167-Y171 HydrophobicContact CE-CG 3.97Å
168	P	46.4	Very low	52.8	Low	74 Å²	74	111.8 Å²	111.8	48%	0.481	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-59.4	145.3	170.4	21.7	-27.8	0	0	0	110.1	E170 Y171	P168-E170 PolarHBondContact O-N 2.84Å; P168-Y171 HydrophobicContact CG-CD2 4.14Å; P168-Y171 HydrophobicContact CG-CE2 4.32Å; P168-Y171 PolarHBondContact O-N 2.88Å; P168-Y171 VanDerWaalsContact O-N 3.14Å
169	D	50.6	Low	51.6	Low	105 Å²	105	111.9 Å²	111.9	56%	0.561	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-56.8	-19.8	-170.6	-67.9	-32.2	0	0	0	113.7	Y171 A172	D169-Y171 PolarHBondContact O-N 2.77Å; D169-A172 PolarHBondContact O-N 2.92Å; D169-A172 VanDerWaalsContact O-N 3.08Å
170	E	52.1	Low	50.2	Low	175 Å²	175	108.1 Å²	108.1	82%	0.818	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-58.4	-14.5	175.9	-56.5	178.7	-162.6	0	0	114.3	P168	P168-E170 PolarHBondContact O-N 2.84Å
171	Y	50.3	Low	48.8	Very low	141 Å²	141	109.5 Å²	109.5	55%	0.553	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-111.8	-0.1	178.5	-66	-87.2	0	0	0	114.4	M167 P168 D169 G173	M167-Y171 HydrophobicContact CE-CD1 4.45Å; M167-Y171 HydrophobicContact CE-CD2 4.3Å; M167-Y171 HydrophobicContact CE-CG 3.97Å; P168-Y171 HydrophobicContact CG-CD2 4.14Å; P168-Y171 HydrophobicContact CG-CE2 4.32Å; P168-Y171 PolarHBondContact O-N 2.88Å; P168-Y171 VanDerWaalsContact O-N 3.14Å; D169-Y171 PolarHBondContact O-N 2.77Å; Y171-G173 VanDerWaalsContact C-N 3.26Å; Y171-G173 PolarHBondContact O-N 2.92Å
172	A	47.2	Very low	48.3	Very low	17 Å²	17	109 Å²	109	14%	0.14	62%	0.621	C	S	.	*			trans	-81	71.3	178.3	0	0	0	0	0	110.5	V145 C148 D169 T174	V145-A172 HydrophobicContact CG1-CB 3.97Å; C148-A172 HydrophobicContact CB-CB 4.24Å; D169-A172 PolarHBondContact O-N 2.92Å; D169-A172 VanDerWaalsContact O-N 3.08Å; A172-T174 PolarHBondContact O-N 3.05Å
173	G	45.4	Very low	47.2	Very low	67 Å²	67	115.6 Å²	115.6	69%	0.691	64%	0.643	S	S	*	*			trans	-59.6	125.3	173.8	0	0	0	0	0	111.2	Y171 S175	Y171-G173 VanDerWaalsContact C-N 3.26Å; Y171-G173 PolarHBondContact O-N 2.92Å; G173-S175 PolarHBondContact O-N 3.22Å
174	T	40.7	Very low	46.9	Very low	130 Å²	130	116 Å²	116	80%	0.798	65%	0.653	S	S	*	*			trans	-62.1	110.7	177	43.8	0	0	0	0	110.5	A172	A172-T174 PolarHBondContact O-N 3.05Å
175	S	45.8	Very low	45.9	Very low	107 Å²	107	119.5 Å²	119.5	75%	0.748	67%	0.669	S	S	*	*			trans	-119.1	89.4	165.9	73.4	0	0	0	0	109.7	G173 H177	G173-S175 PolarHBondContact O-N 3.22Å; S175-H177 PolarHBondContact O-N 2.89Å
176	D	36.5	Very low	45.3	Very low	148 Å²	148	121.4 Å²	121.4	79%	0.791	68%	0.68	S	S	*	*			trans	-79.7	89.5	163.5	-75.7	-35.7	0	0	0	108.7
177	H	46.8	Very low	44.7	Very low	184 Å²	184	123.3 Å²	123.3	85%	0.852	68%	0.683	S	S	*	*			trans	-141.2	90.3	159.5	-80.1	-54.1	0	0	0	110.7	S175	S175-H177 PolarHBondContact O-N 2.89Å
178	S	35.2	Very low	44.6	Very low	121 Å²	121	127.7 Å²	127.7	85%	0.846	70%	0.703	S	S	*	*			trans	-67.3	118	154.3	168	0	0	0	0	109.2
179	S	46.4	Very low	44.5	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	71%	0.713	S	S	*	*			trans	-161	117	142.5	41.6	0	0	0	0	109.5
180	N	39.4	Very low	44.1	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	72%	0.721	S	S	*	*			trans	-57.4	139.3	159	-88.3	-33.2	0	0	0	108.8
181	D	46.4	Very low	43.7	Very low	166 Å²	166	133 Å²	133	89%	0.888	72%	0.722	S	S	*	*				-158	145.3	127.9	-95.9	-31.7	0	0	0	113.2
182	N	48.2	Very low	43.3	Very low	130 Å²	130	130.9 Å²	130.9	70%	0.695	73%	0.734	S	S	*	*			trans	-89	159.7	-161.1	-79	-67.9	0	0	0	114
183	K	41.5	Very low	42.9	Very low	203 Å²	203	139.9 Å²	139.9	88%	0.883	77%	0.77	S	S	*	*			trans	67.5	150.8	145.3	-81.1	175.4	171.6	177.1	0	116.7
184	A	46.2	Very low	43	Very low	73 Å²	73	143.6 Å²	143.6	60%	0.603	78%	0.779	S	S	*	*			cis	-176.3	148.1	-6.4	0	0	0	0	0	106.9
185	N	41.8	Very low	42.8	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	78%	0.78	S	S	*	*			trans	59.7	152.8	154	-60.2	-15.7	0	0	0	117.4
186	D	39.8	Very low	42.4	Very low	110 Å²	110	145.3 Å²	145.3	59%	0.588	78%	0.775	S	S	*	*			cis	-159.8	157.2	25.2	-140.8	-1.4	0	0	0	109.9
187	K	46.9	Very low	42.6	Very low	162 Å²	162	145.8 Å²	145.8	70%	0.704	78%	0.776	S	S	*	*			trans	12.8	151.1	145.3	-60.5	161.3	-162.8	151.6	0	119.2
188	Q	43.6	Very low	42	Very low	162 Å²	162	140.2 Å²	140.2	76%	0.757	77%	0.768	S	S	*	*			cis	179.1	129.6	39.4	-156.4	152.4	-32.8	0	0	107.8
189	L	43.4	Very low	41.9	Very low	135 Å²	135	140.5 Å²	140.5	71%	0.707	77%	0.765	S	S	*	*				40.9	122.3	119	-99.3	123.9	0	0	0	120.1
190	D	42.4	Very low	41.6	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	77%	0.766	S	S	*	*				166.3	115.4	115.1	-83.8	-29.9	0	0	0	110.7
191	K	43	Very low	41.5	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	77%	0.766	S	S	*	*				68.4	105.5	81	-97.4	-173.1	179.9	176.3	0	116.8
192	A	43.7	Very low	40.8	Very low	96 Å²	96	137.4 Å²	137.4	79%	0.793	75%	0.752	S	S	*	*			trans	177.7	112.6	139.9	0	0	0	0	0	106.6
193	K	37.8	Very low	40	Very low	207 Å²	207	137.3 Å²	137.3	90%	0.9	76%	0.759	S	S	*	*				58.5	84.2	56.1	-151.8	-172	-173.3	-167.5	0	114.9
194	V	48.5	Very low	39.7	Very low	144 Å²	144	137.7 Å²	137.7	87%	0.873	75%	0.754	S	S	*	*			trans	-146	118.4	148.8	-175.3	0	0	0	0	109.5
195	E	35.8	Very low	39	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	77%	0.769	S	S	*	*			trans	-135.2	159.8	150.2	-92.6	-145.3	-168.6	0	0	104
196	P	37	Very low	38.8	Very low	100 Å²	100	146.2 Å²	146.2	65%	0.649	77%	0.771	S	S	*	*			cis	-152.4	-165.6	37.6	31	-3.1	0	0	0	115.2
197	I	41.2	Very low	38.3	Very low	158 Å²	158	144.3 Å²	144.3	81%	0.81	78%	0.777	S	S	*	*			trans	99.1	120.9	150.8	-57.2	157.6	0	0	0	118.4
198	G	33.4	Very low	37.5	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	78%	0.78	S	S	*	*			trans	85.5	145.2	142.3	0	0	0	0	0	115.7
199	T	34.7	Very low	37.4	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	77%	0.771	S	S	*	*			cis	-172.8	138.3	12.9	-75.1	0	0	0	0	105.4
200	V	39	Very low	37.8	Very low	130 Å²	130	140 Å²	140	79%	0.788	78%	0.779	S	S	*	*			trans	33.5	120.4	148	-174.7	0	0	0	0	118.9
201	E	36.7	Very low	38.6	Very low	165 Å²	165	144.3 Å²	144.3	77%	0.771	79%	0.785	S	S	*	*				179.5	110.5	128.5	-86.7	-155.9	171.6	0	0	106.7
202	G	31.6	Very low	40.4	Very low	58 Å²	58	142.4 Å²	142.4	60%	0.598	77%	0.773	S	S	*	*				93.5	124	78.4	0	0	0	0	0	109.7	R204	G202-R204 PolarHBondContact O-N 3.44Å
203	P	31.8	Very low	42.5	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	74%	0.739	S	S	*	*			trans	-72.4	101.1	-167.9	29.6	-32.1	0	0	0	110.6	R205	P203-R205 PolarHBondContact O-N 3.34Å
204	R	36.3	Very low	44.8	Very low	211 Å²	211	131.3 Å²	131.3	80%	0.796	71%	0.709	S	S	*	*			trans	-69.6	98.4	171.8	-74.5	-172	-173.8	175.4	3.5	110	G202 L206	G202-R204 PolarHBondContact O-N 3.44Å; R204-L206 PolarHBondContact O-N 3.35Å
205	R	29.8	Very low	46.7	Very low	241 Å²	241	128 Å²	128	91%	0.909	69%	0.689	S	S	*	*			trans	-54	116.4	161.3	-62.4	-175.3	174.9	-163.4	-0.5	109.1	P203	P203-R205 PolarHBondContact O-N 3.34Å
206	L	37.7	Very low	49.2	Very low	166 Å²	166	120 Å²	120	87%	0.869	65%	0.653	S	S	*	*			trans	-126.3	90.8	163.3	-81.8	155.5	0	0	0	104.2	R204	R204-L206 PolarHBondContact O-N 3.35Å
207	G	29.5	Very low	51.7	Low	69 Å²	69	116.5 Å²	116.5	71%	0.711	63%	0.629	S	S	*	*			cis	72.1	63.5	39.3	0	0	0	0	0	109.9
208	G	31.6	Very low	54.1	Low	74 Å²	74	109.3 Å²	109.3	76%	0.763	59%	0.592	S	S	*	*	S	Bend	trans	74.6	78.4	157.8	0	0	0	0	0	118.1
209	D	40.9	Very low	57	Low	108 Å²	108	106.2 Å²	106.2	58%	0.578	56%	0.56	S	S	*	*			trans	-167.6	39.5	150.6	-128.6	5.9	0	0	0	113.4	R211 R212	D209-R211 PolarHBondContact O-N 2.79Å; D209-R212 IonicContact OD2-CZ 3.44Å; D209-R212 IonicContact OD2-NE 3.99Å; D209-R212 PolarHBondContact OD2-NE 3.46Å; D209-R212 IonicContact OD2-NH2 3.89Å; D209-R212 PolarHBondContact OD2-NH2 2.86Å
210	Q	50.8	Low	60	Low	187 Å²	187	100.1 Å²	100.1	87%	0.874	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	18.4	-161.4	-135.5	169.9	26.7	0	0	116.1
211	R	59.3	Low	62.7	Low	228 Å²	228	93.9 Å²	93.9	86%	0.86	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	54.7	174.3	-73.4	-168.1	-180	-162.7	1.1	113	D209 F213	D209-R211 PolarHBondContact O-N 2.79Å; R211-F213 VanDerWaalsContact C-N 3.32Å; R211-F213 PolarHBondContact O-N 2.75Å
212	R	81.1	Confident	65.6	Low	152 Å²	152	89.1 Å²	89.1	57%	0.574	46%	0.462	S	S	*	.	S	Bend	trans	-71.8	-22.3	177.6	-75.2	-170.7	175.7	-171.3	-0.1	114.9	D209	D209-R212 IonicContact OD2-CZ 3.44Å; D209-R212 IonicContact OD2-NE 3.99Å; D209-R212 PolarHBondContact OD2-NE 3.46Å; D209-R212 IonicContact OD2-NH2 3.89Å; D209-R212 PolarHBondContact OD2-NH2 2.86Å
213	F	87.3	Confident	68.5	Low	18 Å²	18	89.7 Å²	89.7	8%	0.079	45%	0.45	C	S	.	.			trans	-134.2	147.8	-173.8	-55.2	-72.4	0	0	0	111.2	R211 D217 V219 V233 L236 L241 V257 V260 P262	R211-F213 VanDerWaalsContact C-N 3.32Å; R211-F213 PolarHBondContact O-N 2.75Å; F213-D217 WeakPolarHBondContact CA-OD2 3.46Å; F213-V219 HydrophobicContact CD1-CG1 3.56Å; F213-V219 HydrophobicContact CE1-CG1 3.66Å; F213-V233 HydrophobicContact CB-CG2 4.35Å; F213-L236 WeakPolarHBondContact O-CD2 3.34Å; F213-L241 HydrophobicContact CB-CD1 4.23Å; F213-L241 HydrophobicContact CD2-CD1 3.78Å; F213-L241 HydrophobicContact CE2-CD1 4.49Å; F213-L241 HydrophobicContact CG-CD1 4.19Å; F213-V257 HydrophobicContact CE2-CG1 4.47Å; F213-V260 HydrophobicContact CD1-CG1 4.37Å; F213-V260 HydrophobicContact CD2-CG1 4.32Å; F213-V260 HydrophobicContact CE1-CG1 3.95Å; F213-V260 HydrophobicContact CE2-CB 4.02Å; F213-V260 HydrophobicContact CE2-CG1 3.88Å; F213-V260 HydrophobicContact CZ-CB 4.13Å; F213-V260 HydrophobicContact CZ-CG1 3.7Å; F213-V260 WeakPolarHBondContact CZ-O 3.21Å; F213-P262 HydrophobicContact CE1-CG 4.15Å
214	N	88	Confident	71.3	Confident	53 Å²	53	93.5 Å²	93.5	28%	0.283	45%	0.453	S	S	.	.			trans	-117.5	159.5	173.5	-53.4	-78.7	0	0	0	109.9	R108 G216 D217 V233	R108-N214 PolarHBondContact NH1-ND2 3.44Å; N214-G216 PolarHBondContact O-N 2.81Å; N214-D217 PolarHBondContact N-OD2 3.16Å; N214-D217 PolarHBondContact ND2-OD2 2.86Å; N214-D217 WeakPolarHBondContact O-CB 3.04Å; N214-D217 PolarHBondContact O-N 3.45Å; N214-D217 VanDerWaalsContact O-N 3.16Å; N214-V233 VanDerWaalsContact O-CB 3.29Å; N214-V233 WeakPolarHBondContact O-CB 3.25Å; N214-V233 WeakPolarHBondContact O-CG1 3.29Å
215	V	87.2	Confident	74.1	Confident	74 Å²	74	87 Å²	87	45%	0.448	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	134.5	169.2	178.7	0	0	0	0	109.3	V233 H234 L236	V215-V233 CarbonylContact C-O 3.57Å; V215-V233 WeakPolarHBondContact CA-O 3.32Å; V215-H234 WeakPolarHBondContact CG1-O 3.45Å; V215-L236 HydrophobicContact CG2-CD1 4.35Å; V215-L236 HydrophobicContact CG2-CG 3.9Å
216	G	88	Confident	77.1	Confident	6 Å²	6	82.6 Å²	82.6	6%	0.062	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-6.2	-175.2	0	0	0	0	0	114.6	H105 N214 V218 V233	H105-G216 WeakPolarHBondContact NE2-CA 3.07Å; H105-G216 PolarHBondContact NE2-O 2.73Å; N214-G216 PolarHBondContact O-N 2.81Å; G216-V218 PolarHBondContact O-N 2.76Å; G216-V233 PolarHBondContact N-O 2.88Å
217	D	89.5	Confident	79.8	Confident	27 Å²	27	77.2 Å²	77.2	14%	0.144	41%	0.413	C	S	.	.			trans	-66.8	132.4	175.3	-77.8	-18.4	0	0	0	110.3	H105 F213 N214 V219 E232 V233	H105-D217 IonicContact CE1-OD1 3.83Å; H105-D217 PolarHBondContact CE1-OD1 2.89Å; H105-D217 IonicContact ND1-OD1 2.8Å; F213-D217 WeakPolarHBondContact CA-OD2 3.46Å; N214-D217 PolarHBondContact N-OD2 3.16Å; N214-D217 PolarHBondContact ND2-OD2 2.86Å; N214-D217 WeakPolarHBondContact O-CB 3.04Å; N214-D217 PolarHBondContact O-N 3.45Å; N214-D217 VanDerWaalsContact O-N 3.16Å; D217-V219 HydrophobicContact CB-CG1 4.29Å; D217-E232 WeakPolarHBondContact O-CA 3.13Å; D217-V233 HydrophobicContact CB-CG2 4.2Å; D217-V233 PolarHBondContact O-N 3.15Å
218	V	92.3	Very high	83	Confident	6 Å²	6	76.4 Å²	76.4	4%	0.036	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.5	170.3	-173.1	0	0	0	0	108.4	G216 A231 F263 A286 K289 E290	G216-V218 PolarHBondContact O-N 2.76Å; V218-A231 WeakPolarHBondContact CA-O 3.45Å; V218-F263 HydrophobicContact CB-CB 4.26Å; V218-F263 HydrophobicContact CG1-CB 3.9Å; V218-F263 HydrophobicContact CG1-CD1 4.11Å; V218-F263 HydrophobicContact CG1-CD2 4.19Å; V218-F263 HydrophobicContact CG1-CG 3.8Å; V218-F263 WeakPolarHBondContact O-CB 3.07Å; V218-F263 PolarHBondContact O-N 2.81Å; V218-A286 HydrophobicContact CG1-CB 3.85Å; V218-K289 HydrophobicContact CG2-CB 3.92Å; V218-E290 HydrophobicContact CB-CB 4.34Å; V218-E290 WeakPolarHBondContact CB-OE2 3.44Å; V218-E290 HydrophobicContact CG2-CB 4.25Å; V218-E290 WeakPolarHBondContact CG2-OE2 3.42Å
219	V	94.5	Very high	86.1	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.1	-171.3	-64.9	0	0	0	0	111.4	F213 D217 P230 A231 V233 V260 E261	F213-V219 HydrophobicContact CD1-CG1 3.56Å; F213-V219 HydrophobicContact CE1-CG1 3.66Å; D217-V219 HydrophobicContact CB-CG1 4.29Å; V219-P230 CarbonylContact O-C 3.56Å; V219-P230 VanDerWaalsContact O-CA 3.32Å; V219-P230 WeakPolarHBondContact O-CA 3.39Å; V219-A231 HydrophobicContact CG2-CB 4.41Å; V219-A231 WeakPolarHBondContact CG2-O 3.41Å; V219-A231 PolarHBondContact N-O 3.21Å; V219-A231 PolarHBondContact O-N 3.12Å; V219-V233 HydrophobicContact CG1-CG2 3.97Å; V219-V233 HydrophobicContact CG2-CG2 4Å; V219-V260 HydrophobicContact CB-CG1 3.52Å; V219-V260 HydrophobicContact CG1-CG1 3.79Å; V219-V260 HydrophobicContact CG2-CG1 3.56Å; V219-E261 CarbonylContact C-O 3.54Å; V219-E261 WeakPolarHBondContact CA-O 3.24Å; V219-E261 WeakPolarHBondContact CB-O 3.1Å
220	W	96.9	Very high	88.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.4	157.6	-68.1	103.7	0	0	0	108.6	H228 P230 V260 E261 F263 F267 H270 Y279 V283	W220-H228 HydrophobicContact CE3-CB 4.06Å; W220-P230 HydrophobicContact CZ3-CB 4.45Å; W220-P230 HydrophobicContact CZ3-CG 4.41Å; W220-V260 CarbonylContact O-C 3.55Å; W220-V260 VanDerWaalsContact O-CA 3.28Å; W220-V260 WeakPolarHBondContact O-CA 3.46Å; W220-E261 PolarHBondContact N-O 3.42Å; W220-E261 PolarHBondContact O-N 3.37Å; W220-F263 VanDerWaalsContact CD1-CA 3.47Å; W220-F263 HydrophobicContact CD2-CD2 4.06Å; W220-F263 HydrophobicContact CD2-CE2 4.4Å; W220-F263 AromaticContact CE2-CD2 3.52Å; W220-F263 AromaticContact CE2-CE2 3.66Å; W220-F263 HydrophobicContact CG-CD2 4.34Å; W220-F263 HydrophobicContact CH2-CE2 4.07Å; W220-F263 AromaticContact CZ2-CD2 3.87Å; W220-F263 HydrophobicContact CZ2-CD2 3.87Å; W220-F263 AromaticContact CZ2-CE2 3.47Å; W220-F263 HydrophobicContact CZ2-CE2 3.47Å; W220-F263 VanDerWaalsContact CZ2-CE2 3.47Å; W220-F263 HydrophobicContact CZ2-CZ 4.36Å; W220-F263 AromaticContact NE1-CD2 3.46Å; W220-F263 AromaticContact NE1-CE2 3.98Å; W220-F263 PolarHBondContact NE1-O 3.25Å; W220-F267 AromaticContact CZ2-CD2 3.95Å; W220-F267 HydrophobicContact CZ2-CD2 3.95Å; W220-F267 HydrophobicContact CZ2-CE2 4.39Å; W220-H270 AromaticContact CD1-CD2 3.7Å; W220-H270 HydrophobicContact CD2-CB 3.67Å; W220-H270 HydrophobicContact CE3-CB 3.84Å; W220-H270 HydrophobicContact CG-CB 4.12Å; W220-H270 AromaticContact CG-CD2 3.54Å; W220-H270 HydrophobicContact CH2-CB 4.26Å; W220-H270 HydrophobicContact CZ2-CB 4.13Å; W220-H270 HydrophobicContact CZ3-CB 4.12Å; W220-Y279 WeakPolarHBondContact CH2-OH 3.37Å; W220-Y279 HydrophobicContact CZ3-CE2 4.18Å; W220-Y279 WeakPolarHBondContact CZ3-OH 3.28Å; W220-V283 HydrophobicContact CH2-CG2 3.81Å; W220-V283 HydrophobicContact CZ3-CG2 4.32Å
221	A	96.9	Very high	90.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	175.9	0	0	0	0	0	110.6	W229 A231 V243 W245 V255 A259 V260	A221-W229 PolarHBondContact N-O 3.31Å; A221-W229 PolarHBondContact O-N 3.42Å; A221-A231 HydrophobicContact CB-CB 4.14Å; A221-V243 HydrophobicContact CB-CG2 4.33Å; A221-W245 HydrophobicContact CB-CH2 3.63Å; A221-W245 HydrophobicContact CB-CZ3 3.53Å; A221-V255 HydrophobicContact CB-CG1 4.44Å; A221-V255 HydrophobicContact CB-CG2 4.24Å; A221-A259 WeakPolarHBondContact CA-O 2.95Å; A221-V260 HydrophobicContact CB-CG2 4.25Å
222	K	96.2	Very high	92.5	Very high	65 Å²	65	52.8 Å²	52.8	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.3	-175.8	-172.9	64.8	166.9	70.2	0	111.7	Y226 A259	K222-Y226 WeakPolarHBondContact CD-O 3.25Å; K222-Y226 WeakPolarHBondContact CE-O 3.23Å; K222-Y226 PolarHBondContact NZ-O 3.25Å; K222-A259 HydrophobicContact CB-CB 4.23Å; K222-A259 PolarHBondContact N-O 3.44Å
223	M	93	Very high	93	Very high	69 Å²	69	45.5 Å²	45.5	34%	0.34	24%	0.237	S	C	.	.			trans	-96.2	152.1	165.1	-72.1	-169.7	-66.6	0	0	111.4	G225 Y226 W245 V255	M223-G225 PolarHBondContact O-N 3.24Å; M223-Y226 HydrophobicContact CB-CD2 3.91Å; M223-Y226 HydrophobicContact CE-CD2 4.34Å; M223-Y226 PolarHBondContact O-N 3.31Å; M223-W245 HydrophobicContact CE-CH2 4.05Å; M223-W245 HydrophobicContact CE-CZ2 3.5Å; M223-W245 VanDerWaalsContact CE-CZ2 3.5Å; M223-W245 HydrophobicContact CG-CH2 3.76Å; M223-W245 HydrophobicContact CG-CZ2 3.56Å; M223-W245 HydrophobicContact SD-CH2 4.25Å; M223-W245 HydrophobicContact SD-CZ2 3.49Å; M223-W245 WeakPolarHBondContact SD-CZ2 3.29Å; M223-V255 HydrophobicContact CG-CG1 4.19Å
224	K	91.8	Very high	93.1	Very high	208 Å²	208	48.8 Å²	48.8	90%	0.904	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	124	175.2	-173.3	173.9	-176.7	169.3	0	109.6
225	G	94	Very high	93.2	Very high	75 Å²	75	54.2 Å²	54.2	77%	0.773	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-5	179.2	0	0	0	0	0	116.2	M223	M223-G225 PolarHBondContact O-N 3.24Å
226	Y	93.2	Very high	93.3	Very high	148 Å²	148	54.8 Å²	54.8	58%	0.58	27%	0.269	S	S	*	.	S	Bend	trans	-116	161.2	179	-64.6	-85.7	0	0	0	111.3	K222 M223	K222-Y226 WeakPolarHBondContact CD-O 3.25Å; K222-Y226 WeakPolarHBondContact CE-O 3.23Å; K222-Y226 PolarHBondContact NZ-O 3.25Å; M223-Y226 HydrophobicContact CB-CD2 3.91Å; M223-Y226 HydrophobicContact CE-CD2 4.34Å; M223-Y226 PolarHBondContact O-N 3.31Å
227	S	94.1	Very high	93.3	Very high	53 Å²	53	56.4 Å²	56.4	37%	0.371	29%	0.286	S	S	.	.			trans	-62.7	167.3	169.1	-55.3	0	0	0	0	111.4	W229 H275	S227-W229 PolarHBondContact O-N 3.09Å; S227-H275 PolarHBondContact OG-NE2 3.15Å
228	H	96.5	Very high	93	Very high	52 Å²	52	63.5 Å²	63.5	24%	0.241	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	130.8	164	-71.2	92.1	0	0	0	108.3	W220 H270 Y279	W220-H228 HydrophobicContact CE3-CB 4.06Å; H228-H270 HydrophobicContact CB-CB 3.92Å; H228-H270 AromaticContact CD2-CE1 3.6Å; H228-H270 AromaticContact CD2-ND1 3.85Å; H228-H270 AromaticContact CD2-NE2 3.83Å; H228-H270 AromaticContact CE1-CE1 3.32Å; H228-H270 PolarHBondContact CE1-CE1 3.08Å; H228-H270 AromaticContact CE1-ND1 3.57Å; H228-H270 AromaticContact CG-CE1 3.52Å; H228-H270 AromaticContact CG-CG 3.72Å; H228-H270 AromaticContact CG-ND1 3.29Å; H228-H270 VanDerWaalsContact CG-ND1 3.29Å; H228-H270 AromaticContact ND1-CE1 3.33Å; H228-H270 PolarHBondContact ND1-CE1 3.34Å; H228-H270 VanDerWaalsContact ND1-CE1 3.33Å; H228-H270 AromaticContact ND1-CG 3.97Å; H228-H270 AromaticContact ND1-ND1 3.08Å; H228-H270 PolarHBondContact ND1-ND1 3.33Å; H228-H270 AromaticContact NE2-CE1 3.54Å; H228-Y279 WeakPolarHBondContact O-CE2 3.49Å
229	W	96.9	Very high	92.9	Very high	54 Å²	54	72.9 Å²	72.9	21%	0.205	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.5	-176.3	-159.6	-80	0	0	0	109.6	A221 S227 W245 C246 A278 Y279 A282	A221-W229 PolarHBondContact N-O 3.31Å; A221-W229 PolarHBondContact O-N 3.42Å; S227-W229 PolarHBondContact O-N 3.09Å; W229-W245 HydrophobicContact CB-CE3 3.87Å; W229-W245 HydrophobicContact CB-CZ3 3.78Å; W229-W245 AromaticContact CD1-CE3 3.83Å; W229-W245 HydrophobicContact CG-CE3 4.12Å; W229-C246 PolarHBondContact NE1-O 3.42Å; W229-A278 HydrophobicContact CH2-CB 4.45Å; W229-Y279 HydrophobicContact CD2-CD2 4.17Å; W229-Y279 AromaticContact CE3-CD2 3.67Å; W229-Y279 HydrophobicContact CE3-CD2 3.67Å; W229-Y279 HydrophobicContact CH2-CD2 4.27Å; W229-Y279 HydrophobicContact CH2-CG 4.43Å; W229-Y279 AromaticContact CZ3-CD2 3.73Å; W229-Y279 HydrophobicContact CZ3-CD2 3.73Å; W229-Y279 HydrophobicContact CZ3-CG 4.23Å; W229-A282 HydrophobicContact CZ2-CB 3.69Å
230	P	96.3	Very high	92.9	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.5	-179.9	27.7	-33.9	0	0	0	111.9	V219 W220 C246 F263 A282 V283 A286	V219-P230 CarbonylContact O-C 3.56Å; V219-P230 VanDerWaalsContact O-CA 3.32Å; V219-P230 WeakPolarHBondContact O-CA 3.39Å; W220-P230 HydrophobicContact CZ3-CB 4.45Å; W220-P230 HydrophobicContact CZ3-CG 4.41Å; P230-C246 HydrophobicContact CB-CB 4.24Å; P230-C246 HydrophobicContact CG-CB 4.06Å; P230-C246 WeakPolarHBondContact O-CB 3.42Å; P230-C246 PolarHBondContact O-N 3.05Å; P230-F263 HydrophobicContact CB-CD2 4.15Å; P230-F263 HydrophobicContact CB-CE2 3.91Å; P230-A282 HydrophobicContact CG-CB 3.93Å; P230-A282 WeakPolarHBondContact CG-O 3.37Å; P230-V283 HydrophobicContact CG-CG2 4.06Å; P230-A286 HydrophobicContact CB-CB 3.44Å; P230-A286 VanDerWaalsContact CB-CB 3.44Å; P230-A286 HydrophobicContact CG-CB 4.03Å
231	A	95.7	Very high	92.7	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.1	-178.9	0	0	0	0	0	111.3	V218 V219 A221 V243 L244 W245	V218-A231 WeakPolarHBondContact CA-O 3.45Å; V219-A231 HydrophobicContact CG2-CB 4.41Å; V219-A231 WeakPolarHBondContact CG2-O 3.41Å; V219-A231 PolarHBondContact N-O 3.21Å; V219-A231 PolarHBondContact O-N 3.12Å; A221-A231 HydrophobicContact CB-CB 4.14Å; A231-V243 HydrophobicContact CB-CB 3.7Å; A231-V243 HydrophobicContact CB-CG1 4.44Å; A231-V243 HydrophobicContact CB-CG2 3.8Å; A231-L244 CarbonylContact C-O 3.56Å; A231-L244 WeakPolarHBondContact CA-O 3.4Å; A231-L244 WeakPolarHBondContact CB-O 3.46Å; A231-W245 HydrophobicContact CB-CD2 4.4Å; A231-W245 HydrophobicContact CB-CE3 3.78Å; A231-W245 HydrophobicContact CB-CZ3 4.12Å
232	E	93	Very high	92.5	Very high	47 Å²	47	80.7 Å²	80.7	22%	0.22	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.6	172.3	-175.5	-174.6	152.7	0	0	109.3	D217 H234 V243 L244 K289	D217-E232 WeakPolarHBondContact O-CA 3.13Å; E232-H234 PolarHBondContact O-N 3.33Å; E232-H234 VanDerWaalsContact O-N 3.16Å; E232-V243 CarbonylContact O-C 3.58Å; E232-V243 WeakPolarHBondContact O-CA 3.34Å; E232-L244 HydrophobicContact CB-CB 4.48Å; E232-L244 PolarHBondContact N-O 3.33Å; E232-L244 PolarHBondContact O-N 3.49Å; E232-K289 IonicContact OE2-NZ 2.69Å; E232-K289 PolarHBondContact OE2-NZ 3.37Å
233	V	92.1	Very high	92.5	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	113.2	177	179.6	0	0	0	0	109.4	F213 N214 V215 G216 D217 V219 L236 L241	F213-V233 HydrophobicContact CB-CG2 4.35Å; N214-V233 VanDerWaalsContact O-CB 3.29Å; N214-V233 WeakPolarHBondContact O-CB 3.25Å; N214-V233 WeakPolarHBondContact O-CG1 3.29Å; V215-V233 CarbonylContact C-O 3.57Å; V215-V233 WeakPolarHBondContact CA-O 3.32Å; G216-V233 PolarHBondContact N-O 2.88Å; D217-V233 HydrophobicContact CB-CG2 4.2Å; D217-V233 PolarHBondContact O-N 3.15Å; V219-V233 HydrophobicContact CG1-CG2 3.97Å; V219-V233 HydrophobicContact CG2-CG2 4Å; V233-L236 HydrophobicContact CG1-CD2 3.64Å; V233-L241 HydrophobicContact CG2-CD1 4.49Å
234	H	89.7	Confident	92.5	Very high	87 Å²	87	76.1 Å²	76.1	40%	0.403	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-36.9	-178.7	-175.3	63.5	0	0	0	112.6	V215 E232 C242 L244	V215-H234 WeakPolarHBondContact CG1-O 3.45Å; E232-H234 PolarHBondContact O-N 3.33Å; E232-H234 VanDerWaalsContact O-N 3.16Å; H234-C242 PolarHBondContact N-O 3.47Å; H234-L244 HydrophobicContact CB-CD1 3.86Å; H234-L244 HydrophobicContact CB-CG 3.92Å; H234-L244 WeakPolarHBondContact ND1-CD1 3.44Å
235	R	89.8	Confident	92.6	Very high	167 Å²	167	67.1 Å²	67.1	63%	0.63	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.1	177.9	-164.3	-176.7	-62.6	178.6	0.1	111.2	C242	R235-C242 HydrophobicContact CB-CB 3.72Å; R235-C242 PolarHBondContact N-O 2.92Å; R235-C242 VanDerWaalsContact N-O 3.09Å; R235-C242 PolarHBondContact O-N 3.13Å
236	L	89.4	Confident	92.5	Very high	86 Å²	86	63.7 Å²	63.7	45%	0.45	29%	0.294	S	S	.	.			trans	-85.4	143.4	174.4	-57.9	176.1	0	0	0	110.6	F213 V215 V233 L241	F213-L236 WeakPolarHBondContact O-CD2 3.34Å; V215-L236 HydrophobicContact CG2-CD1 4.35Å; V215-L236 HydrophobicContact CG2-CG 3.9Å; V233-L236 HydrophobicContact CG1-CD2 3.64Å; L236-L241 HydrophobicContact CD2-CD2 3.75Å
237	G	87.5	Confident	92.1	Very high	40 Å²	40	59.1 Å²	59.1	41%	0.412	29%	0.292	S	S	.	.			trans	-143.6	165.5	169.6	0	0	0	0	0	109.8	R239 K240	G237-R239 VanDerWaalsContact C-N 3.35Å; G237-R239 PolarHBondContact O-N 3.45Å; G237-K240 CarbonylContact C-O 3.53Å; G237-K240 WeakPolarHBondContact CA-O 3.49Å; G237-K240 PolarHBondContact N-O 3.16Å; G237-K240 VanDerWaalsContact N-O 3.12Å
238	E	84	Confident	91.4	Very high	175 Å²	175	59.4 Å²	59.4	82%	0.818	29%	0.294	S	S	*	.	S	Bend	trans	-61.2	-38.8	-170.5	-63.6	-178.1	171.8	0	0	114.1
239	R	90.5	Very high	89.9	Confident	204 Å²	204	61.8 Å²	61.8	77%	0.77	32%	0.316	S	S	*	.	S	Bend	trans	-128.1	-7.3	-178	-60.2	-173.7	-173.1	-176.1	2	113.5	G237 P256 V257	G237-R239 VanDerWaalsContact C-N 3.35Å; G237-R239 PolarHBondContact O-N 3.45Å; R239-P256 WeakPolarHBondContact O-CA 3.23Å; R239-V257 PolarHBondContact O-N 2.87Å
240	K	93.2	Very high	88.7	Confident	132 Å²	132	67.1 Å²	67.1	57%	0.574	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.4	-175.2	-64	178.9	179.8	179.1	0	109.3	G237 I254 V255	G237-K240 CarbonylContact C-O 3.53Å; G237-K240 WeakPolarHBondContact CA-O 3.49Å; G237-K240 PolarHBondContact N-O 3.16Å; G237-K240 VanDerWaalsContact N-O 3.12Å; K240-I254 HydrophobicContact CB-CG2 3.79Å; K240-I254 HydrophobicContact CD-CG2 3.75Å; K240-I254 HydrophobicContact CG-CG2 4.24Å; K240-V255 CarbonylContact C-O 3.5Å; K240-V255 VanDerWaalsContact CA-O 3.23Å; K240-V255 WeakPolarHBondContact CA-O 3.22Å
241	L	92.7	Very high	88.1	Confident	6 Å²	6	69 Å²	69	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.2	173.6	-58	-179.3	0	0	0	108.8	F213 V233 L236 V243 I254 V255 V257 V260	F213-L241 HydrophobicContact CB-CD1 4.23Å; F213-L241 HydrophobicContact CD2-CD1 3.78Å; F213-L241 HydrophobicContact CE2-CD1 4.49Å; F213-L241 HydrophobicContact CG-CD1 4.19Å; V233-L241 HydrophobicContact CG2-CD1 4.49Å; L236-L241 HydrophobicContact CD2-CD2 3.75Å; L241-V243 HydrophobicContact CB-CG1 4.21Å; L241-I254 WeakPolarHBondContact O-CA 3.25Å; L241-V255 HydrophobicContact CB-CG2 4.33Å; L241-V255 PolarHBondContact N-O 3.4Å; L241-V255 PolarHBondContact O-N 2.85Å; L241-V257 HydrophobicContact CD1-CG2 4.46Å; L241-V257 HydrophobicContact CD2-CG2 4.11Å; L241-V257 HydrophobicContact CG-CG2 3.92Å; L241-V260 HydrophobicContact CD1-CB 4.25Å; L241-V260 HydrophobicContact CD1-CG1 4.19Å; L241-V260 HydrophobicContact CD1-CG2 4.09Å
242	C	93.7	Very high	87.9	Confident	27 Å²	27	73 Å²	73	18%	0.182	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.4	162.9	-170.7	0	0	0	0	107.6	H234 R235 G253	H234-C242 PolarHBondContact N-O 3.47Å; R235-C242 HydrophobicContact CB-CB 3.72Å; R235-C242 PolarHBondContact N-O 2.92Å; R235-C242 VanDerWaalsContact N-O 3.09Å; R235-C242 PolarHBondContact O-N 3.13Å; C242-G253 CarbonylContact C-O 3.42Å; C242-G253 WeakPolarHBondContact CA-O 3.42Å
243	V	94.5	Very high	87.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.1	-178.8	-57.1	0	0	0	0	110.4	A221 A231 E232 L241 W245 T252 G253 V255	A221-V243 HydrophobicContact CB-CG2 4.33Å; A231-V243 HydrophobicContact CB-CB 3.7Å; A231-V243 HydrophobicContact CB-CG1 4.44Å; A231-V243 HydrophobicContact CB-CG2 3.8Å; E232-V243 CarbonylContact O-C 3.58Å; E232-V243 WeakPolarHBondContact O-CA 3.34Å; L241-V243 HydrophobicContact CB-CG1 4.21Å; V243-W245 HydrophobicContact CG2-CD2 4.38Å; V243-W245 HydrophobicContact CG2-CH2 4.15Å; V243-W245 HydrophobicContact CG2-CZ2 3.9Å; V243-W245 HydrophobicContact CG2-CZ3 4.48Å; V243-T252 CarbonylContact O-C 3.57Å; V243-T252 WeakPolarHBondContact O-CA 3.36Å; V243-G253 PolarHBondContact N-O 3.28Å; V243-G253 PolarHBondContact O-N 3.46Å; V243-V255 HydrophobicContact CG1-CG2 3.81Å; V243-V255 HydrophobicContact CG2-CG2 4.12Å
244	L	93.8	Very high	88	Confident	38 Å²	38	77.1 Å²	77.1	20%	0.199	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.5	169.1	-75.6	160.8	0	0	0	108.2	A231 E232 H234 C246 T252	A231-L244 CarbonylContact C-O 3.56Å; A231-L244 WeakPolarHBondContact CA-O 3.4Å; A231-L244 WeakPolarHBondContact CB-O 3.46Å; E232-L244 HydrophobicContact CB-CB 4.48Å; E232-L244 PolarHBondContact N-O 3.33Å; E232-L244 PolarHBondContact O-N 3.49Å; H234-L244 HydrophobicContact CB-CD1 3.86Å; H234-L244 HydrophobicContact CB-CG 3.92Å; H234-L244 WeakPolarHBondContact ND1-CD1 3.44Å; L244-C246 PolarHBondContact O-N 2.87Å; L244-T252 HydrophobicContact CD2-CG2 3.41Å; L244-T252 VanDerWaalsContact CD2-CG2 3.41Å; L244-T252 HydrophobicContact CG-CG2 4.16Å
245	W	94.7	Very high	88.2	Confident	19 Å²	19	73.1 Å²	73.1	7%	0.072	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.7	-177.7	-57.8	103	0	0	0	110.7	A221 M223 W229 A231 V243 S251 V255	A221-W245 HydrophobicContact CB-CH2 3.63Å; A221-W245 HydrophobicContact CB-CZ3 3.53Å; M223-W245 HydrophobicContact CE-CH2 4.05Å; M223-W245 HydrophobicContact CE-CZ2 3.5Å; M223-W245 VanDerWaalsContact CE-CZ2 3.5Å; M223-W245 HydrophobicContact CG-CH2 3.76Å; M223-W245 HydrophobicContact CG-CZ2 3.56Å; M223-W245 HydrophobicContact SD-CH2 4.25Å; M223-W245 HydrophobicContact SD-CZ2 3.49Å; M223-W245 WeakPolarHBondContact SD-CZ2 3.29Å; W229-W245 HydrophobicContact CB-CE3 3.87Å; W229-W245 HydrophobicContact CB-CZ3 3.78Å; W229-W245 AromaticContact CD1-CE3 3.83Å; W229-W245 HydrophobicContact CG-CE3 4.12Å; A231-W245 HydrophobicContact CB-CD2 4.4Å; A231-W245 HydrophobicContact CB-CE3 3.78Å; A231-W245 HydrophobicContact CB-CZ3 4.12Å; V243-W245 HydrophobicContact CG2-CD2 4.38Å; V243-W245 HydrophobicContact CG2-CH2 4.15Å; V243-W245 HydrophobicContact CG2-CZ2 3.9Å; V243-W245 HydrophobicContact CG2-CZ3 4.48Å; W245-S251 WeakPolarHBondContact CB-OG 3.43Å; W245-S251 PolarHBondContact N-O 2.83Å; W245-V255 HydrophobicContact CH2-CG1 3.99Å; W245-V255 HydrophobicContact CZ2-CG1 4.06Å
246	C	91.8	Very high	88.4	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.014	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	146	172.8	-64.2	0	0	0	0	109.8	W229 P230 L244 A282 V285 A286	W229-C246 PolarHBondContact NE1-O 3.42Å; P230-C246 HydrophobicContact CB-CB 4.24Å; P230-C246 HydrophobicContact CG-CB 4.06Å; P230-C246 WeakPolarHBondContact O-CB 3.42Å; P230-C246 PolarHBondContact O-N 3.05Å; L244-C246 PolarHBondContact O-N 2.87Å; C246-A282 HydrophobicContact CB-CB 4.26Å; C246-A282 WeakPolarHBondContact CB-O 3.23Å; C246-A282 WeakPolarHBondContact O-CB 3.45Å; C246-V285 HydrophobicContact CB-CB 4.16Å; C246-V285 HydrophobicContact CB-CG1 3.99Å; C246-A286 HydrophobicContact CB-CB 4.18Å
247	G	85.2	Confident	88.6	Confident	52 Å²	52	66.9 Å²	66.9	54%	0.536	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-2.7	-176.3	0	0	0	0	0	115.2
248	S	77.5	Confident	88.9	Confident	59 Å²	59	69 Å²	69	41%	0.413	39%	0.394	S	S	.	.			trans	-140.5	122.3	169.7	170.9	0	0	0	0	109	E250 S251	S248-E250 PolarHBondContact O-N 2.9Å; S248-S251 VanDerWaalsContact CB-OG 3.26Å; S248-S251 WeakPolarHBondContact CB-OG 3.39Å; S248-S251 WeakPolarHBondContact OG-CB 3.48Å; S248-S251 PolarHBondContact OG-N 3.01Å; S248-S251 PolarHBondContact OG-OG 3.27Å
249	S	66.9	Low	89.4	Confident	102 Å²	102	61.8 Å²	61.8	71%	0.713	36%	0.364	S	S	*	.	S	Bend	trans	-64.8	-20.4	-174.6	41.7	0	0	0	0	114.1
250	E	71.3	Confident	89.7	Confident	167 Å²	167	52.4 Å²	52.4	78%	0.78	33%	0.33	S	S	*	.	S	Bend	trans	-126.5	-8.3	-168.7	-63.2	-179.1	-179.9	0	0	114.1	S248 T252	S248-E250 PolarHBondContact O-N 2.9Å; E250-T252 PolarHBondContact O-N 3.36Å
251	S	83.5	Confident	89.7	Confident	39 Å²	39	49 Å²	49	27%	0.273	32%	0.316	S	S	.	.			trans	-80.7	115.5	-176.3	73.6	0	0	0	0	111.6	W245 S248	W245-S251 WeakPolarHBondContact CB-OG 3.43Å; W245-S251 PolarHBondContact N-O 2.83Å; S248-S251 VanDerWaalsContact CB-OG 3.26Å; S248-S251 WeakPolarHBondContact CB-OG 3.39Å; S248-S251 WeakPolarHBondContact OG-CB 3.48Å; S248-S251 PolarHBondContact OG-N 3.01Å; S248-S251 PolarHBondContact OG-OG 3.27Å
252	T	91.4	Very high	89.7	Confident	85 Å²	85	50.4 Å²	50.4	52%	0.521	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.4	170.3	54.6	0	0	0	0	111	V243 L244 E250	V243-T252 CarbonylContact O-C 3.57Å; V243-T252 WeakPolarHBondContact O-CA 3.36Å; L244-T252 HydrophobicContact CD2-CG2 3.41Å; L244-T252 VanDerWaalsContact CD2-CG2 3.41Å; L244-T252 HydrophobicContact CG-CG2 4.16Å; E250-T252 PolarHBondContact O-N 3.36Å
253	G	91.9	Very high	89.6	Confident	7 Å²	7	49.2 Å²	49.2	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.6	174.2	0	0	0	0	0	111.1	C242 V243	C242-G253 CarbonylContact C-O 3.42Å; C242-G253 WeakPolarHBondContact CA-O 3.42Å; V243-G253 PolarHBondContact N-O 3.28Å; V243-G253 PolarHBondContact O-N 3.46Å
254	I	94.2	Very high	89.2	Confident	126 Å²	126	50.9 Å²	50.9	65%	0.646	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.3	171	-57.7	177.1	0	0	0	108.1	K240 L241	K240-I254 HydrophobicContact CB-CG2 3.79Å; K240-I254 HydrophobicContact CD-CG2 3.75Å; K240-I254 HydrophobicContact CG-CG2 4.24Å; L241-I254 WeakPolarHBondContact O-CA 3.25Å
255	V	94.6	Very high	88.9	Confident	2 Å²	2	52 Å²	52	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.4	-176.2	-68.3	0	0	0	0	110.6	A221 M223 K240 L241 V243 W245 V260	A221-V255 HydrophobicContact CB-CG1 4.44Å; A221-V255 HydrophobicContact CB-CG2 4.24Å; M223-V255 HydrophobicContact CG-CG1 4.19Å; K240-V255 CarbonylContact C-O 3.5Å; K240-V255 VanDerWaalsContact CA-O 3.23Å; K240-V255 WeakPolarHBondContact CA-O 3.22Å; L241-V255 HydrophobicContact CB-CG2 4.33Å; L241-V255 PolarHBondContact N-O 3.4Å; L241-V255 PolarHBondContact O-N 2.85Å; V243-V255 HydrophobicContact CG1-CG2 3.81Å; V243-V255 HydrophobicContact CG2-CG2 4.12Å; W245-V255 HydrophobicContact CH2-CG1 3.99Å; W245-V255 HydrophobicContact CZ2-CG1 4.06Å; V255-V260 HydrophobicContact CB-CG2 4.25Å; V255-V260 HydrophobicContact CG2-CG2 3.39Å
256	P	94.8	Very high	88.8	Confident	71 Å²	71	54.1 Å²	54.1	46%	0.461	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	146.5	173.4	24.8	-27.9	0	0	0	110.1	R239 G258 A259	R239-P256 WeakPolarHBondContact O-CA 3.23Å; P256-G258 PolarHBondContact O-N 3.26Å; P256-G258 VanDerWaalsContact O-N 3.15Å; P256-A259 HydrophobicContact CG-CB 3.69Å; P256-A259 WeakPolarHBondContact O-CB 3.31Å; P256-A259 PolarHBondContact O-N 3.23Å
257	V	93.1	Very high	88.6	Confident	51 Å²	51	54.8 Å²	54.8	31%	0.309	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.9	-35.4	-178.4	174.7	0	0	0	0	111.8	F213 R239 L241 A259 V260	F213-V257 HydrophobicContact CE2-CG1 4.47Å; R239-V257 PolarHBondContact O-N 2.87Å; L241-V257 HydrophobicContact CD1-CG2 4.46Å; L241-V257 HydrophobicContact CD2-CG2 4.11Å; L241-V257 HydrophobicContact CG-CG2 3.92Å; V257-A259 PolarHBondContact O-N 2.84Å; V257-V260 PolarHBondContact O-N 2.87Å
258	G	93.4	Very high	88.8	Confident	85 Å²	85	54.3 Å²	54.3	88%	0.876	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-71.6	-5.1	176.5	0	0	0	0	0	115.4	P256	P256-G258 PolarHBondContact O-N 3.26Å; P256-G258 VanDerWaalsContact O-N 3.15Å
259	A	95	Very high	89.4	Confident	23 Å²	23	55.7 Å²	55.7	19%	0.19	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-105.5	18.3	174.4	0	0	0	0	0	112.1	A221 K222 P256 V257	A221-A259 WeakPolarHBondContact CA-O 2.95Å; K222-A259 HydrophobicContact CB-CB 4.23Å; K222-A259 PolarHBondContact N-O 3.44Å; P256-A259 HydrophobicContact CG-CB 3.69Å; P256-A259 WeakPolarHBondContact O-CB 3.31Å; P256-A259 PolarHBondContact O-N 3.23Å; V257-A259 PolarHBondContact O-N 2.84Å
260	V	95.5	Very high	90.7	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.4	-180	-176.8	0	0	0	0	109.3	F213 V219 W220 A221 L241 V255 V257	F213-V260 HydrophobicContact CD1-CG1 4.37Å; F213-V260 HydrophobicContact CD2-CG1 4.32Å; F213-V260 HydrophobicContact CE1-CG1 3.95Å; F213-V260 HydrophobicContact CE2-CB 4.02Å; F213-V260 HydrophobicContact CE2-CG1 3.88Å; F213-V260 HydrophobicContact CZ-CB 4.13Å; F213-V260 HydrophobicContact CZ-CG1 3.7Å; F213-V260 WeakPolarHBondContact CZ-O 3.21Å; V219-V260 HydrophobicContact CB-CG1 3.52Å; V219-V260 HydrophobicContact CG1-CG1 3.79Å; V219-V260 HydrophobicContact CG2-CG1 3.56Å; W220-V260 CarbonylContact O-C 3.55Å; W220-V260 VanDerWaalsContact O-CA 3.28Å; W220-V260 WeakPolarHBondContact O-CA 3.46Å; A221-V260 HydrophobicContact CB-CG2 4.25Å; L241-V260 HydrophobicContact CD1-CB 4.25Å; L241-V260 HydrophobicContact CD1-CG1 4.19Å; L241-V260 HydrophobicContact CD1-CG2 4.09Å; V255-V260 HydrophobicContact CB-CG2 4.25Å; V255-V260 HydrophobicContact CG2-CG2 3.39Å; V257-V260 PolarHBondContact O-N 2.87Å
261	E	94.9	Very high	91.7	Very high	61 Å²	61	45.3 Å²	45.3	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.7	178.1	-62.7	-174.4	104.1	0	0	111.3	V219 W220 F263 K266 H270	V219-E261 CarbonylContact C-O 3.54Å; V219-E261 WeakPolarHBondContact CA-O 3.24Å; V219-E261 WeakPolarHBondContact CB-O 3.1Å; W220-E261 PolarHBondContact N-O 3.42Å; W220-E261 PolarHBondContact O-N 3.37Å; E261-F263 PolarHBondContact O-N 3.32Å; E261-K266 HydrophobicContact CB-CB 4.37Å; E261-K266 HydrophobicContact CB-CG 3.81Å; E261-K266 HydrophobicContact CG-CG 4.47Å; E261-K266 VanDerWaalsContact OE1-CE 3.28Å; E261-K266 WeakPolarHBondContact OE1-CE 3.35Å; E261-K266 IonicContact OE1-NZ 2.97Å; E261-H270 IonicContact OE2-CD2 2.71Å; E261-H270 IonicContact OE2-CE1 3.15Å; E261-H270 PolarHBondContact OE2-CE1 2.82Å; E261-H270 IonicContact OE2-NE2 3.15Å; E261-H270 PolarHBondContact OE2-NE2 2.69Å
262	P	92.3	Very high	92.1	Very high	35 Å²	35	46.7 Å²	46.7	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	135.1	-179	-18.7	30.4	0	0	0	112.1	F213 D265 K266	F213-P262 HydrophobicContact CE1-CG 4.15Å; P262-D265 HydrophobicContact CB-CB 4.07Å; P262-D265 WeakPolarHBondContact CB-OD2 3.37Å; P262-D265 PolarHBondContact O-N 3.48Å; P262-K266 PolarHBondContact O-N 2.98Å
263	F	92.1	Very high	92	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-51.5	-171.2	177.8	-102.9	0	0	0	113.5	V218 W220 P230 E261 F267 V283 A286 M287 E290	V218-F263 HydrophobicContact CB-CB 4.26Å; V218-F263 HydrophobicContact CG1-CB 3.9Å; V218-F263 HydrophobicContact CG1-CD1 4.11Å; V218-F263 HydrophobicContact CG1-CD2 4.19Å; V218-F263 HydrophobicContact CG1-CG 3.8Å; V218-F263 WeakPolarHBondContact O-CB 3.07Å; V218-F263 PolarHBondContact O-N 2.81Å; W220-F263 VanDerWaalsContact CD1-CA 3.47Å; W220-F263 HydrophobicContact CD2-CD2 4.06Å; W220-F263 HydrophobicContact CD2-CE2 4.4Å; W220-F263 AromaticContact CE2-CD2 3.52Å; W220-F263 AromaticContact CE2-CE2 3.66Å; W220-F263 HydrophobicContact CG-CD2 4.34Å; W220-F263 HydrophobicContact CH2-CE2 4.07Å; W220-F263 AromaticContact CZ2-CD2 3.87Å; W220-F263 HydrophobicContact CZ2-CD2 3.87Å; W220-F263 AromaticContact CZ2-CE2 3.47Å; W220-F263 HydrophobicContact CZ2-CE2 3.47Å; W220-F263 VanDerWaalsContact CZ2-CE2 3.47Å; W220-F263 HydrophobicContact CZ2-CZ 4.36Å; W220-F263 AromaticContact NE1-CD2 3.46Å; W220-F263 AromaticContact NE1-CE2 3.98Å; W220-F263 PolarHBondContact NE1-O 3.25Å; P230-F263 HydrophobicContact CB-CD2 4.15Å; P230-F263 HydrophobicContact CB-CE2 3.91Å; E261-F263 PolarHBondContact O-N 3.32Å; F263-F267 HydrophobicContact CE1-CD2 4.05Å; F263-F267 HydrophobicContact CE1-CE2 4.41Å; F263-F267 HydrophobicContact CE2-CD2 4.14Å; F263-F267 HydrophobicContact CE2-CE2 4.43Å; F263-F267 AromaticContact CZ-CD2 3.68Å; F263-F267 HydrophobicContact CZ-CD2 3.68Å; F263-F267 AromaticContact CZ-CE2 3.8Å; F263-F267 HydrophobicContact CZ-CE2 3.8Å; F263-F267 PolarHBondContact O-N 3.37Å; F263-F267 VanDerWaalsContact O-N 3.08Å; F263-V283 HydrophobicContact CZ-CG1 4.41Å; F263-A286 HydrophobicContact CD2-CB 4.39Å; F263-A286 HydrophobicContact CE1-CB 4.42Å; F263-A286 HydrophobicContact CE2-CB 3.81Å; F263-A286 HydrophobicContact CZ-CB 3.82Å; F263-M287 HydrophobicContact CE1-CG 3.68Å; F263-M287 HydrophobicContact CZ-CG 3.58Å; F263-M287 HydrophobicContact CZ-SD 4.47Å; F263-E290 HydrophobicContact CD1-CB 4.27Å; F263-E290 HydrophobicContact CD1-CG 4.23Å
264	Q	86	Confident	91.8	Very high	35 Å²	35	53 Å²	53	16%	0.164	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.3	-179.1	-64.3	-166.3	0.4	0	0	112.4	F115 K266 F267 E290	F115-Q264 HydrophobicContact CE2-CG 4.37Å; Q264-K266 PolarHBondContact O-N 3.18Å; Q264-F267 PolarHBondContact O-N 2.86Å; Q264-E290 HydrophobicContact CG-CG 3.85Å; Q264-E290 VanDerWaalsContact NE2-CG 3.3Å; Q264-E290 PolarHBondContact NE2-OE1 2.85Å
265	D	86.8	Confident	91.6	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.8	-173.9	-64.5	-33.1	0	0	0	112.1	R111 P262	R111-D265 IonicContact CZ-OD2 2.81Å; R111-D265 IonicContact NH1-OD2 3.15Å; R111-D265 PolarHBondContact NH1-OD2 3.15Å; P262-D265 HydrophobicContact CB-CB 4.07Å; P262-D265 WeakPolarHBondContact CB-OD2 3.37Å; P262-D265 PolarHBondContact O-N 3.48Å
266	K	91.8	Very high	91.5	Very high	64 Å²	64	53.3 Å²	53.3	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	13.3	-177.3	-64.8	-63.5	-172.3	167.9	0	114.2	E261 P262 Q264 A268 D269 H270	E261-K266 HydrophobicContact CB-CB 4.37Å; E261-K266 HydrophobicContact CB-CG 3.81Å; E261-K266 HydrophobicContact CG-CG 4.47Å; E261-K266 VanDerWaalsContact OE1-CE 3.28Å; E261-K266 WeakPolarHBondContact OE1-CE 3.35Å; E261-K266 IonicContact OE1-NZ 2.97Å; P262-K266 PolarHBondContact O-N 2.98Å; Q264-K266 PolarHBondContact O-N 3.18Å; K266-A268 PolarHBondContact O-N 3.48Å; K266-D269 HydrophobicContact CD-CB 4.28Å; K266-D269 WeakPolarHBondContact CD-OD2 3.3Å; K266-D269 IonicContact NZ-OD2 2.66Å; K266-D269 PolarHBondContact NZ-OD2 2.66Å; K266-D269 PolarHBondContact O-N 3.16Å; K266-D269 VanDerWaalsContact O-N 3.12Å; K266-H270 PolarHBondContact O-N 3.47Å
267	F	88.7	Confident	91.2	Very high	15 Å²	15	57.1 Å²	57.1	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-51	-179.7	-171.9	-90	0	0	0	111.9	W220 F263 Q264 D269 H270 Y271 V283 M287 L315	W220-F267 AromaticContact CZ2-CD2 3.95Å; W220-F267 HydrophobicContact CZ2-CD2 3.95Å; W220-F267 HydrophobicContact CZ2-CE2 4.39Å; F263-F267 HydrophobicContact CE1-CD2 4.05Å; F263-F267 HydrophobicContact CE1-CE2 4.41Å; F263-F267 HydrophobicContact CE2-CD2 4.14Å; F263-F267 HydrophobicContact CE2-CE2 4.43Å; F263-F267 AromaticContact CZ-CD2 3.68Å; F263-F267 HydrophobicContact CZ-CD2 3.68Å; F263-F267 AromaticContact CZ-CE2 3.8Å; F263-F267 HydrophobicContact CZ-CE2 3.8Å; F263-F267 PolarHBondContact O-N 3.37Å; F263-F267 VanDerWaalsContact O-N 3.08Å; Q264-F267 PolarHBondContact O-N 2.86Å; F267-D269 PolarHBondContact O-N 2.69Å; F267-H270 PolarHBondContact O-N 2.79Å; F267-Y271 AromaticContact CE1-CD1 3.92Å; F267-Y271 HydrophobicContact CE1-CD1 3.92Å; F267-Y271 AromaticContact CE1-CG 3.86Å; F267-Y271 HydrophobicContact CE1-CG 3.86Å; F267-Y271 HydrophobicContact CE2-CD2 4.49Å; F267-Y271 HydrophobicContact CE2-CG 4.44Å; F267-Y271 HydrophobicContact CZ-CD1 4.1Å; F267-Y271 HydrophobicContact CZ-CD2 4.02Å; F267-Y271 AromaticContact CZ-CG 3.76Å; F267-Y271 HydrophobicContact CZ-CG 3.76Å; F267-Y271 WeakPolarHBondContact O-CB 3.43Å; F267-Y271 PolarHBondContact O-N 3.34Å; F267-V283 HydrophobicContact CE2-CG1 3.7Å; F267-V283 HydrophobicContact CZ-CG1 4.14Å; F267-M287 HydrophobicContact CD2-SD 4.28Å; F267-M287 HydrophobicContact CE2-CG 4.18Å; F267-M287 HydrophobicContact CE2-SD 3.42Å; F267-M287 WeakPolarHBondContact CE2-SD 3.18Å; F267-M287 HydrophobicContact CZ-SD 3.7Å; F267-L315 HydrophobicContact CZ-CD1 4.45Å
268	A	88.3	Confident	91.1	Very high	42 Å²	42	57.5 Å²	57.5	35%	0.347	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-19.5	179.8	0	0	0	0	0	114	K266 K321	K266-A268 PolarHBondContact O-N 3.48Å; A268-K321 WeakPolarHBondContact O-CE 3.4Å; A268-K321 PolarHBondContact O-NZ 3.24Å
269	D	91.5	Very high	91.1	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-83.5	-39.2	179.1	-68.4	-18.5	0	0	0	111.2	K266 F267	K266-D269 HydrophobicContact CD-CB 4.28Å; K266-D269 WeakPolarHBondContact CD-OD2 3.3Å; K266-D269 IonicContact NZ-OD2 2.66Å; K266-D269 PolarHBondContact NZ-OD2 2.66Å; K266-D269 PolarHBondContact O-N 3.16Å; K266-D269 VanDerWaalsContact O-N 3.12Å; F267-D269 PolarHBondContact O-N 2.69Å
270	H	93.9	Very high	90.9	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-105.7	-22.9	-170.8	-65.8	-43.5	0	0	0	115.3	W220 H228 E261 K266 F267 N272 Y279	W220-H270 AromaticContact CD1-CD2 3.7Å; W220-H270 HydrophobicContact CD2-CB 3.67Å; W220-H270 HydrophobicContact CE3-CB 3.84Å; W220-H270 HydrophobicContact CG-CB 4.12Å; W220-H270 AromaticContact CG-CD2 3.54Å; W220-H270 HydrophobicContact CH2-CB 4.26Å; W220-H270 HydrophobicContact CZ2-CB 4.13Å; W220-H270 HydrophobicContact CZ3-CB 4.12Å; H228-H270 HydrophobicContact CB-CB 3.92Å; H228-H270 AromaticContact CD2-CE1 3.6Å; H228-H270 AromaticContact CD2-ND1 3.85Å; H228-H270 AromaticContact CD2-NE2 3.83Å; H228-H270 AromaticContact CE1-CE1 3.32Å; H228-H270 PolarHBondContact CE1-CE1 3.08Å; H228-H270 AromaticContact CE1-ND1 3.57Å; H228-H270 AromaticContact CG-CE1 3.52Å; H228-H270 AromaticContact CG-CG 3.72Å; H228-H270 AromaticContact CG-ND1 3.29Å; H228-H270 VanDerWaalsContact CG-ND1 3.29Å; H228-H270 AromaticContact ND1-CE1 3.33Å; H228-H270 PolarHBondContact ND1-CE1 3.34Å; H228-H270 VanDerWaalsContact ND1-CE1 3.33Å; H228-H270 AromaticContact ND1-CG 3.97Å; H228-H270 AromaticContact ND1-ND1 3.08Å; H228-H270 PolarHBondContact ND1-ND1 3.33Å; H228-H270 AromaticContact NE2-CE1 3.54Å; E261-H270 IonicContact OE2-CD2 2.71Å; E261-H270 IonicContact OE2-CE1 3.15Å; E261-H270 PolarHBondContact OE2-CE1 2.82Å; E261-H270 IonicContact OE2-NE2 3.15Å; E261-H270 PolarHBondContact OE2-NE2 2.69Å; K266-H270 PolarHBondContact O-N 3.47Å; F267-H270 PolarHBondContact O-N 2.79Å; H270-N272 PolarHBondContact O-N 2.8Å; H270-Y279 PolarHBondContact O-OH 3.32Å
271	Y	92.8	Very high	90.5	Very high	18 Å²	18	54.6 Å²	54.6	7%	0.071	28%	0.283	C	S	.	.			trans	-65.5	120.9	-179.4	179.8	-117.9	0	0	0	110.8	F267 P273 Y279 Q280 V283 C319	F267-Y271 AromaticContact CE1-CD1 3.92Å; F267-Y271 HydrophobicContact CE1-CD1 3.92Å; F267-Y271 AromaticContact CE1-CG 3.86Å; F267-Y271 HydrophobicContact CE1-CG 3.86Å; F267-Y271 HydrophobicContact CE2-CD2 4.49Å; F267-Y271 HydrophobicContact CE2-CG 4.44Å; F267-Y271 HydrophobicContact CZ-CD1 4.1Å; F267-Y271 HydrophobicContact CZ-CD2 4.02Å; F267-Y271 AromaticContact CZ-CG 3.76Å; F267-Y271 HydrophobicContact CZ-CG 3.76Å; F267-Y271 WeakPolarHBondContact O-CB 3.43Å; F267-Y271 PolarHBondContact O-N 3.34Å; Y271-P273 HydrophobicContact CE1-CB 3.89Å; Y271-P273 HydrophobicContact CE1-CG 4.41Å; Y271-Y279 WeakPolarHBondContact CA-OH 3.44Å; Y271-Y279 HydrophobicContact CD2-CE1 4.07Å; Y271-Y279 HydrophobicContact CE2-CE1 4.23Å; Y271-Q280 VanDerWaalsContact CE2-OE1 3.23Å; Y271-Q280 PolarHBondContact OH-OE1 2.81Å; Y271-V283 HydrophobicContact CD2-CG1 3.93Å; Y271-V283 HydrophobicContact CD2-CG2 4.15Å; Y271-V283 HydrophobicContact CE2-CB 4.42Å; Y271-V283 HydrophobicContact CE2-CG1 4.01Å; Y271-V283 HydrophobicContact CE2-CG2 4.38Å; Y271-C319 HydrophobicContact CD1-CB 4.36Å
272	N	91.1	Very high	90.4	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.364	27%	0.27	S	S	.	.			trans	-116.4	105.2	174	-178	-2.8	0	0	0	110.3	H270 K274 H275 Y279 Q280	H270-N272 PolarHBondContact O-N 2.8Å; N272-K274 PolarHBondContact O-N 2.86Å; N272-K274 PolarHBondContact OD1-N 2.77Å; N272-H275 HydrophobicContact CB-CB 4.21Å; N272-H275 WeakPolarHBondContact O-CB 3.38Å; N272-H275 PolarHBondContact O-N 2.83Å; N272-Y279 HydrophobicContact CB-CE1 4.48Å; N272-Y279 PolarHBondContact N-OH 3.16Å; N272-Y279 WeakPolarHBondContact O-CE1 3.36Å; N272-Q280 PolarHBondContact O-NE2 3.17Å
273	P	88.2	Confident	90.3	Very high	57 Å²	57	50 Å²	50	37%	0.37	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.2	179.9	29.2	-37.1	0	0	0	113.1	Y271 H275 Q280	Y271-P273 HydrophobicContact CE1-CB 3.89Å; Y271-P273 HydrophobicContact CE1-CG 4.41Å; P273-H275 VanDerWaalsContact C-N 3.3Å; P273-Q280 PolarHBondContact O-NE2 3.44Å
274	K	89.6	Confident	90	Very high	169 Å²	169	50 Å²	50	74%	0.735	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	2.3	-179.6	-59.5	-178.5	-178.5	178.9	0	112.7	N272 D325	N272-K274 PolarHBondContact O-N 2.86Å; N272-K274 PolarHBondContact OD1-N 2.77Å; K274-D325 IonicContact NZ-OD2 3.48Å; K274-D325 PolarHBondContact NZ-OD2 2.97Å
275	H	90	Very high	90	Very high	50 Å²	50	49.1 Å²	49.1	23%	0.231	26%	0.256	C	S	.	.	S	Bend	trans	-76.8	167	178.5	-152	-72.9	0	0	0	111.8	S227 N272 P273 Y279 Q280	S227-H275 PolarHBondContact OG-NE2 3.15Å; N272-H275 HydrophobicContact CB-CB 4.21Å; N272-H275 WeakPolarHBondContact O-CB 3.38Å; N272-H275 PolarHBondContact O-N 2.83Å; P273-H275 VanDerWaalsContact C-N 3.3Å; H275-Y279 HydrophobicContact CB-CD1 3.48Å; H275-Y279 VanDerWaalsContact CB-CD1 3.48Å; H275-Y279 HydrophobicContact CB-CD2 4.49Å; H275-Y279 HydrophobicContact CB-CE1 4.03Å; H275-Y279 HydrophobicContact CB-CG 3.74Å; H275-Y279 AromaticContact CG-CD1 3.92Å; H275-Y279 AromaticContact CG-CG 3.62Å; H275-Y279 WeakPolarHBondContact ND1-CB 3.41Å; H275-Y279 AromaticContact ND1-CG 3.58Å; H275-Q280 PolarHBondContact O-NE2 3.17Å
276	T	91.8	Very high	90.2	Very high	84 Å²	84	46.2 Å²	46.2	52%	0.515	24%	0.24	S	C	.	.			trans	-48.3	150.5	178.1	61	0	0	0	0	114.1	A278 Y279 Q280	T276-A278 VanDerWaalsContact C-N 3.25Å; T276-A278 PolarHBondContact O-N 3.01Å; T276-Y279 WeakPolarHBondContact O-CA 2.85Å; T276-Y279 VanDerWaalsContact O-CB 3.29Å; T276-Y279 WeakPolarHBondContact O-CB 3.49Å; T276-Y279 PolarHBondContact O-N 3.09Å; T276-Y279 PolarHBondContact OG1-N 3.05Å; T276-Q280 PolarHBondContact O-N 2.79Å; T276-Q280 VanDerWaalsContact O-N 3.11Å
277	R	89.2	Confident	89.7	Confident	150 Å²	150	43.2 Å²	43.2	57%	0.566	23%	0.227	S	C	*	.	H	α-helix	trans	-54.3	-39.8	176.1	-167.9	175.4	-168.7	179.7	6.9	112.9	Y279 Q280 N281 D309	R277-Y279 VanDerWaalsContact C-N 3.26Å; R277-Y279 PolarHBondContact O-N 3.03Å; R277-Q280 WeakPolarHBondContact O-CB 3.36Å; R277-Q280 PolarHBondContact O-N 2.8Å; R277-Q280 VanDerWaalsContact O-N 3.09Å; R277-N281 VanDerWaalsContact O-CG 3.22Å; R277-N281 PolarHBondContact O-N 3.12Å; R277-N281 PolarHBondContact O-OD1 2.91Å; R277-N281 VanDerWaalsContact O-OD1 3.11Å; R277-D309 IonicContact NH2-OD1 3.64Å; R277-D309 IonicContact NH2-OD2 3.32Å; R277-D309 PolarHBondContact NH2-OD2 3.28Å
278	A	90.5	Very high	89.2	Confident	59 Å²	59	42.6 Å²	42.6	49%	0.488	23%	0.225	S	C	.	.	H	α-helix	trans	-58.8	-36.9	175.6	0	0	0	0	0	113.1	W229 T276 A282	W229-A278 HydrophobicContact CH2-CB 4.45Å; T276-A278 VanDerWaalsContact C-N 3.25Å; T276-A278 PolarHBondContact O-N 3.01Å; A278-A282 WeakPolarHBondContact O-CB 3.41Å; A278-A282 PolarHBondContact O-N 2.95Å
279	Y	93.2	Very high	88.8	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-44.8	173.8	171.7	-86.1	0	0	0	111.2	W220 H228 W229 H270 Y271 N272 H275 T276 R277 N281 A282 V283	W220-Y279 WeakPolarHBondContact CH2-OH 3.37Å; W220-Y279 HydrophobicContact CZ3-CE2 4.18Å; W220-Y279 WeakPolarHBondContact CZ3-OH 3.28Å; H228-Y279 WeakPolarHBondContact O-CE2 3.49Å; W229-Y279 HydrophobicContact CD2-CD2 4.17Å; W229-Y279 AromaticContact CE3-CD2 3.67Å; W229-Y279 HydrophobicContact CE3-CD2 3.67Å; W229-Y279 HydrophobicContact CH2-CD2 4.27Å; W229-Y279 HydrophobicContact CH2-CG 4.43Å; W229-Y279 AromaticContact CZ3-CD2 3.73Å; W229-Y279 HydrophobicContact CZ3-CD2 3.73Å; W229-Y279 HydrophobicContact CZ3-CG 4.23Å; H270-Y279 PolarHBondContact O-OH 3.32Å; Y271-Y279 WeakPolarHBondContact CA-OH 3.44Å; Y271-Y279 HydrophobicContact CD2-CE1 4.07Å; Y271-Y279 HydrophobicContact CE2-CE1 4.23Å; N272-Y279 HydrophobicContact CB-CE1 4.48Å; N272-Y279 PolarHBondContact N-OH 3.16Å; N272-Y279 WeakPolarHBondContact O-CE1 3.36Å; H275-Y279 HydrophobicContact CB-CD1 3.48Å; H275-Y279 VanDerWaalsContact CB-CD1 3.48Å; H275-Y279 HydrophobicContact CB-CD2 4.49Å; H275-Y279 HydrophobicContact CB-CE1 4.03Å; H275-Y279 HydrophobicContact CB-CG 3.74Å; H275-Y279 AromaticContact CG-CD1 3.92Å; H275-Y279 AromaticContact CG-CG 3.62Å; H275-Y279 WeakPolarHBondContact ND1-CB 3.41Å; H275-Y279 AromaticContact ND1-CG 3.58Å; T276-Y279 WeakPolarHBondContact O-CA 2.85Å; T276-Y279 VanDerWaalsContact O-CB 3.29Å; T276-Y279 WeakPolarHBondContact O-CB 3.49Å; T276-Y279 PolarHBondContact O-N 3.09Å; T276-Y279 PolarHBondContact OG1-N 3.05Å; R277-Y279 VanDerWaalsContact C-N 3.26Å; R277-Y279 PolarHBondContact O-N 3.03Å; Y279-N281 VanDerWaalsContact C-N 3.33Å; Y279-N281 PolarHBondContact O-N 3.37Å; Y279-A282 WeakPolarHBondContact O-CB 3.32Å; Y279-A282 PolarHBondContact O-N 3.48Å; Y279-V283 HydrophobicContact CD1-CG2 4.12Å; Y279-V283 HydrophobicContact CE1-CG2 3.69Å; Y279-V283 HydrophobicContact CE2-CG2 4.33Å; Y279-V283 WeakPolarHBondContact O-CG2 3.17Å; Y279-V283 PolarHBondContact O-N 2.92Å
280	Q	90.3	Very high	88.1	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-48.5	176.5	-59.1	-51.2	-34.6	0	0	110.7	Y271 N272 P273 H275 T276 R277 A282 V283 A284 L312	Y271-Q280 VanDerWaalsContact CE2-OE1 3.23Å; Y271-Q280 PolarHBondContact OH-OE1 2.81Å; N272-Q280 PolarHBondContact O-NE2 3.17Å; P273-Q280 PolarHBondContact O-NE2 3.44Å; H275-Q280 PolarHBondContact O-NE2 3.17Å; T276-Q280 PolarHBondContact O-N 2.79Å; T276-Q280 VanDerWaalsContact O-N 3.11Å; R277-Q280 WeakPolarHBondContact O-CB 3.36Å; R277-Q280 PolarHBondContact O-N 2.8Å; R277-Q280 VanDerWaalsContact O-N 3.09Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 3.2Å; Q280-V283 PolarHBondContact O-N 2.99Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; Q280-A284 PolarHBondContact O-N 2.82Å; Q280-L312 HydrophobicContact CB-CD1 3.54Å; Q280-L312 HydrophobicContact CB-CD2 3.65Å; Q280-L312 HydrophobicContact CB-CG 4.24Å; Q280-L312 HydrophobicContact CG-CD2 4.44Å
281	N	87.8	Confident	86.8	Confident	38 Å²	38	38.7 Å²	38.7	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-40.6	176.9	-63.7	5.5	0	0	0	111.8	R277 Y279 A284 V285 Q308	R277-N281 VanDerWaalsContact O-CG 3.22Å; R277-N281 PolarHBondContact O-N 3.12Å; R277-N281 PolarHBondContact O-OD1 2.91Å; R277-N281 VanDerWaalsContact O-OD1 3.11Å; Y279-N281 VanDerWaalsContact C-N 3.33Å; Y279-N281 PolarHBondContact O-N 3.37Å; N281-A284 PolarHBondContact O-N 3.38Å; N281-V285 WeakPolarHBondContact O-CG2 3.21Å; N281-V285 PolarHBondContact O-N 3.32Å; N281-Q308 PolarHBondContact ND2-OE1 3.49Å; N281-Q308 VanDerWaalsContact ND2-OE1 3.11Å; N281-Q308 PolarHBondContact OD1-OE1 3Å; N281-Q308 VanDerWaalsContact OD1-OE1 3.09Å
282	A	92.1	Very high	85.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.4	0	0	0	0	0	112.7	W229 P230 C246 A278 Y279 Q280 V285 A286	W229-A282 HydrophobicContact CZ2-CB 3.69Å; P230-A282 HydrophobicContact CG-CB 3.93Å; P230-A282 WeakPolarHBondContact CG-O 3.37Å; C246-A282 HydrophobicContact CB-CB 4.26Å; C246-A282 WeakPolarHBondContact CB-O 3.23Å; C246-A282 WeakPolarHBondContact O-CB 3.45Å; A278-A282 WeakPolarHBondContact O-CB 3.41Å; A278-A282 PolarHBondContact O-N 2.95Å; Y279-A282 WeakPolarHBondContact O-CB 3.32Å; Y279-A282 PolarHBondContact O-N 3.48Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 3.2Å; A282-V285 PolarHBondContact O-N 3.09Å; A282-A286 WeakPolarHBondContact O-CB 3.26Å; A282-A286 PolarHBondContact O-N 3.32Å
283	V	91.3	Very high	83.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-43.3	174.8	175.8	0	0	0	0	110.5	W220 P230 F263 F267 Y271 Y279 Q280 V285 A286 M287 L315	W220-V283 HydrophobicContact CH2-CG2 3.81Å; W220-V283 HydrophobicContact CZ3-CG2 4.32Å; P230-V283 HydrophobicContact CG-CG2 4.06Å; F263-V283 HydrophobicContact CZ-CG1 4.41Å; F267-V283 HydrophobicContact CE2-CG1 3.7Å; F267-V283 HydrophobicContact CZ-CG1 4.14Å; Y271-V283 HydrophobicContact CD2-CG1 3.93Å; Y271-V283 HydrophobicContact CD2-CG2 4.15Å; Y271-V283 HydrophobicContact CE2-CB 4.42Å; Y271-V283 HydrophobicContact CE2-CG1 4.01Å; Y271-V283 HydrophobicContact CE2-CG2 4.38Å; Y279-V283 HydrophobicContact CD1-CG2 4.12Å; Y279-V283 HydrophobicContact CE1-CG2 3.69Å; Y279-V283 HydrophobicContact CE2-CG2 4.33Å; Y279-V283 WeakPolarHBondContact O-CG2 3.17Å; Y279-V283 PolarHBondContact O-N 2.92Å; Q280-V283 PolarHBondContact O-N 2.99Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; V283-V285 PolarHBondContact O-N 3.18Å; V283-A286 WeakPolarHBondContact O-CB 3.36Å; V283-A286 PolarHBondContact O-N 2.96Å; V283-A286 VanDerWaalsContact O-N 3.15Å; V283-M287 HydrophobicContact CG1-CG 4.33Å; V283-M287 VanDerWaalsContact O-CG 3.3Å; V283-M287 WeakPolarHBondContact O-CG 3.48Å; V283-M287 PolarHBondContact O-N 2.99Å; V283-L315 HydrophobicContact CG1-CD1 4.05Å
284	A	85.6	Confident	81.4	Confident	1 Å²	1	37 Å²	37	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-48.8	175.7	0	0	0	0	0	111.6	Q280 N281 A286 M287 V288 L311 L312	Q280-A284 PolarHBondContact O-N 2.82Å; N281-A284 PolarHBondContact O-N 3.38Å; A284-A286 VanDerWaalsContact C-N 3.31Å; A284-A286 PolarHBondContact O-N 3.27Å; A284-M287 PolarHBondContact O-N 3.25Å; A284-V288 VanDerWaalsContact O-CG2 3.31Å; A284-V288 WeakPolarHBondContact O-CG2 3.45Å; A284-V288 PolarHBondContact O-N 2.85Å; A284-L311 HydrophobicContact CB-CD2 3.51Å; A284-L312 HydrophobicContact CB-CD2 4.43Å; A284-L312 HydrophobicContact CB-CG 4.38Å
285	V	85.8	Confident	79.1	Confident	17 Å²	17	33.2 Å²	33.2	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-55.4	-46.3	173.9	172	0	0	0	0	111	C246 N281 A282 V283 M287 V288 K289 L303	C246-V285 HydrophobicContact CB-CB 4.16Å; C246-V285 HydrophobicContact CB-CG1 3.99Å; N281-V285 WeakPolarHBondContact O-CG2 3.21Å; N281-V285 PolarHBondContact O-N 3.32Å; A282-V285 PolarHBondContact O-N 3.09Å; V283-V285 PolarHBondContact O-N 3.18Å; V285-M287 VanDerWaalsContact C-N 3.35Å; V285-M287 PolarHBondContact O-N 3.17Å; V285-V288 PolarHBondContact O-N 3.05Å; V285-K289 HydrophobicContact CG1-CD 4.24Å; V285-K289 HydrophobicContact CG1-CG 4.43Å; V285-K289 WeakPolarHBondContact O-CB 3.15Å; V285-K289 WeakPolarHBondContact O-CG 3.39Å; V285-K289 PolarHBondContact O-N 3.18Å; V285-L303 HydrophobicContact CB-CD2 4.36Å; V285-L303 HydrophobicContact CG2-CD2 3.37Å
286	A	89.7	Confident	76.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-39.1	-179	0	0	0	0	0	112.3	V218 P230 C246 F263 A282 V283 A284 K289 E290	V218-A286 HydrophobicContact CG1-CB 3.85Å; P230-A286 HydrophobicContact CB-CB 3.44Å; P230-A286 VanDerWaalsContact CB-CB 3.44Å; P230-A286 HydrophobicContact CG-CB 4.03Å; C246-A286 HydrophobicContact CB-CB 4.18Å; F263-A286 HydrophobicContact CD2-CB 4.39Å; F263-A286 HydrophobicContact CE1-CB 4.42Å; F263-A286 HydrophobicContact CE2-CB 3.81Å; F263-A286 HydrophobicContact CZ-CB 3.82Å; A282-A286 WeakPolarHBondContact O-CB 3.26Å; A282-A286 PolarHBondContact O-N 3.32Å; V283-A286 WeakPolarHBondContact O-CB 3.36Å; V283-A286 PolarHBondContact O-N 2.96Å; V283-A286 VanDerWaalsContact O-N 3.15Å; A284-A286 VanDerWaalsContact C-N 3.31Å; A284-A286 PolarHBondContact O-N 3.27Å; A286-K289 CarbonylContact O-C 3.49Å; A286-K289 PolarHBondContact O-N 3.48Å; A286-E290 WeakPolarHBondContact O-CB 3.37Å; A286-E290 PolarHBondContact O-N 2.86Å
287	M	82.9	Confident	74.1	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-43.3	175	-71.5	-146.2	51.4	0	0	111.8	F115 F263 F267 V283 A284 V285 K289 E290 I291 L311 L315	F115-M287 HydrophobicContact CE1-CE 4.07Å; F115-M287 HydrophobicContact CE2-CE 4.05Å; F115-M287 HydrophobicContact CZ-CE 3.54Å; F263-M287 HydrophobicContact CE1-CG 3.68Å; F263-M287 HydrophobicContact CZ-CG 3.58Å; F263-M287 HydrophobicContact CZ-SD 4.47Å; F267-M287 HydrophobicContact CD2-SD 4.28Å; F267-M287 HydrophobicContact CE2-CG 4.18Å; F267-M287 HydrophobicContact CE2-SD 3.42Å; F267-M287 WeakPolarHBondContact CE2-SD 3.18Å; F267-M287 HydrophobicContact CZ-SD 3.7Å; V283-M287 HydrophobicContact CG1-CG 4.33Å; V283-M287 VanDerWaalsContact O-CG 3.3Å; V283-M287 WeakPolarHBondContact O-CG 3.48Å; V283-M287 PolarHBondContact O-N 2.99Å; A284-M287 PolarHBondContact O-N 3.25Å; V285-M287 VanDerWaalsContact C-N 3.35Å; V285-M287 PolarHBondContact O-N 3.17Å; M287-K289 VanDerWaalsContact C-N 3.33Å; M287-K289 PolarHBondContact O-N 3.16Å; M287-E290 PolarHBondContact O-N 2.9Å; M287-E290 VanDerWaalsContact O-N 3.17Å; M287-I291 HydrophobicContact CB-CD1 4.22Å; M287-I291 HydrophobicContact CE-CD1 3.82Å; M287-I291 VanDerWaalsContact O-CB 3.24Å; M287-I291 WeakPolarHBondContact O-CB 3.19Å; M287-I291 WeakPolarHBondContact O-CD1 3.38Å; M287-I291 VanDerWaalsContact O-CG1 3.26Å; M287-I291 WeakPolarHBondContact O-CG1 3.44Å; M287-I291 PolarHBondContact O-N 2.59Å; M287-L311 HydrophobicContact CB-CD2 4.14Å; M287-L315 HydrophobicContact CB-CD1 4.43Å; M287-L315 HydrophobicContact CE-CD1 4.45Å; M287-L315 HydrophobicContact CE-CD2 3.21Å; M287-L315 HydrophobicContact CE-CG 4.38Å; M287-L315 HydrophobicContact CG-CD1 3.93Å; M287-L315 HydrophobicContact CG-CD2 4.45Å; M287-L315 HydrophobicContact SD-CD1 3.17Å; M287-L315 WeakPolarHBondContact SD-CD1 3.5Å; M287-L315 HydrophobicContact SD-CD2 3.06Å; M287-L315 WeakPolarHBondContact SD-CD2 3.24Å; M287-L315 HydrophobicContact SD-CG 3.63Å
288	V	77	Confident	71.9	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-46.7	172.9	172.9	0	0	0	0	109.7	A284 V285 E290 F292 H299 L302 L311	A284-V288 VanDerWaalsContact O-CG2 3.31Å; A284-V288 WeakPolarHBondContact O-CG2 3.45Å; A284-V288 PolarHBondContact O-N 2.85Å; V285-V288 PolarHBondContact O-N 3.05Å; V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.38Å; V288-F292 HydrophobicContact CB-CD2 4.11Å; V288-F292 HydrophobicContact CG1-CD2 3.62Å; V288-F292 HydrophobicContact CG1-CE2 4.34Å; V288-F292 HydrophobicContact CG1-CG 4.5Å; V288-F292 HydrophobicContact CG2-CD2 4.43Å; V288-F292 HydrophobicContact CG2-CE2 4.47Å; V288-F292 VanDerWaalsContact O-CA 3.29Å; V288-F292 WeakPolarHBondContact O-CA 3.38Å; V288-F292 WeakPolarHBondContact O-CB 3.07Å; V288-F292 VanDerWaalsContact O-CD2 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.16Å; V288-F292 PolarHBondContact O-N 2.94Å; V288-H299 WeakPolarHBondContact CG1-ND1 3.36Å; V288-L302 HydrophobicContact CG1-CB 4.16Å; V288-L302 HydrophobicContact CG1-CD1 3.67Å; V288-L311 HydrophobicContact CG2-CD1 3.83Å; V288-L311 HydrophobicContact CG2-CD2 4.47Å
289	K	80.1	Confident	69.8	Low	41 Å²	41	32.8 Å²	32.8	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-36.2	174.7	-77	-175.1	174.3	-164	0	112.5	V218 E232 V285 A286 M287 N293	V218-K289 HydrophobicContact CG2-CB 3.92Å; E232-K289 IonicContact OE2-NZ 2.69Å; E232-K289 PolarHBondContact OE2-NZ 3.37Å; V285-K289 HydrophobicContact CG1-CD 4.24Å; V285-K289 HydrophobicContact CG1-CG 4.43Å; V285-K289 WeakPolarHBondContact O-CB 3.15Å; V285-K289 WeakPolarHBondContact O-CG 3.39Å; V285-K289 PolarHBondContact O-N 3.18Å; A286-K289 CarbonylContact O-C 3.49Å; A286-K289 PolarHBondContact O-N 3.48Å; M287-K289 VanDerWaalsContact C-N 3.33Å; M287-K289 PolarHBondContact O-N 3.16Å; K289-N293 VanDerWaalsContact O-CA 3.25Å; K289-N293 WeakPolarHBondContact O-CA 3.34Å; K289-N293 WeakPolarHBondContact O-CB 3.47Å; K289-N293 PolarHBondContact O-N 2.89Å; K289-N293 PolarHBondContact O-ND2 3.01Å; K289-N293 VanDerWaalsContact O-ND2 3.08Å
290	E	77	Confident	67.6	Low	23 Å²	23	37 Å²	37	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-81.5	-40.1	-176.6	-173.9	63.5	-173.7	0	0	112.6	K110 V218 F263 Q264 A286 M287 V288	K110-E290 IonicContact NZ-OE1 3.32Å; K110-E290 PolarHBondContact NZ-OE1 2.9Å; K110-E290 IonicContact NZ-OE2 3.34Å; K110-E290 PolarHBondContact NZ-OE2 3.47Å; V218-E290 HydrophobicContact CB-CB 4.34Å; V218-E290 WeakPolarHBondContact CB-OE2 3.44Å; V218-E290 HydrophobicContact CG2-CB 4.25Å; V218-E290 WeakPolarHBondContact CG2-OE2 3.42Å; F263-E290 HydrophobicContact CD1-CB 4.27Å; F263-E290 HydrophobicContact CD1-CG 4.23Å; Q264-E290 HydrophobicContact CG-CG 3.85Å; Q264-E290 VanDerWaalsContact NE2-CG 3.3Å; Q264-E290 PolarHBondContact NE2-OE1 2.85Å; A286-E290 WeakPolarHBondContact O-CB 3.37Å; A286-E290 PolarHBondContact O-N 2.86Å; M287-E290 PolarHBondContact O-N 2.9Å; M287-E290 VanDerWaalsContact O-N 3.17Å; V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.38Å
291	I	66.4	Low	65.5	Low	18 Å²	18	40.4 Å²	40.4	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-74.8	-45.8	177.1	-66.8	156.5	0	0	0	110.5	L123 M287	L123-I291 HydrophobicContact CD1-CD1 3.53Å; M287-I291 HydrophobicContact CB-CD1 4.22Å; M287-I291 HydrophobicContact CE-CD1 3.82Å; M287-I291 VanDerWaalsContact O-CB 3.24Å; M287-I291 WeakPolarHBondContact O-CB 3.19Å; M287-I291 WeakPolarHBondContact O-CD1 3.38Å; M287-I291 VanDerWaalsContact O-CG1 3.26Å; M287-I291 WeakPolarHBondContact O-CG1 3.44Å; M287-I291 PolarHBondContact O-N 2.59Å
292	F	59.7	Low	63.8	Low	8 Å²	8	39.3 Å²	39.3	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-96.3	7.4	-178.5	-55.5	-73.5	0	0	0	114.1	L127 V288 L294 R295 I297 L302	L127-F292 HydrophobicContact CD1-CE1 4.07Å; L127-F292 HydrophobicContact CD1-CE2 3.48Å; L127-F292 VanDerWaalsContact CD1-CE2 3.48Å; L127-F292 HydrophobicContact CD1-CZ 3.1Å; V288-F292 HydrophobicContact CB-CD2 4.11Å; V288-F292 HydrophobicContact CG1-CD2 3.62Å; V288-F292 HydrophobicContact CG1-CE2 4.34Å; V288-F292 HydrophobicContact CG1-CG 4.5Å; V288-F292 HydrophobicContact CG2-CD2 4.43Å; V288-F292 HydrophobicContact CG2-CE2 4.47Å; V288-F292 VanDerWaalsContact O-CA 3.29Å; V288-F292 WeakPolarHBondContact O-CA 3.38Å; V288-F292 WeakPolarHBondContact O-CB 3.07Å; V288-F292 VanDerWaalsContact O-CD2 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.16Å; V288-F292 PolarHBondContact O-N 2.94Å; F292-L294 PolarHBondContact O-N 2.94Å; F292-R295 HydrophobicContact CD1-CB 4.42Å; F292-R295 PolarHBondContact O-N 2.89Å; F292-I297 HydrophobicContact CD1-CD1 3.48Å; F292-I297 VanDerWaalsContact CD1-CD1 3.48Å; F292-I297 HydrophobicContact CE1-CD1 3.99Å; F292-I297 HydrophobicContact CG-CD1 4.15Å; F292-L302 HydrophobicContact CD2-CD1 4.06Å; F292-L302 HydrophobicContact CE2-CD1 4.29Å; F292-L302 HydrophobicContact CG-CD1 4.44Å
293	N	55.8	Low	62	Low	26 Å²	26	41.8 Å²	41.8	14%	0.139	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-5.3	160.7	-117.6	-29.5	0	0	0	112.6	Y106 K110 K289	Y106-N293 WeakPolarHBondContact CD1-O 3.44Å; K110-N293 PolarHBondContact NZ-ND2 3Å; K289-N293 VanDerWaalsContact O-CA 3.25Å; K289-N293 WeakPolarHBondContact O-CA 3.34Å; K289-N293 WeakPolarHBondContact O-CB 3.47Å; K289-N293 PolarHBondContact O-N 2.89Å; K289-N293 PolarHBondContact O-ND2 3.01Å; K289-N293 VanDerWaalsContact O-ND2 3.08Å
294	L	44	Very low	60.5	Low	73 Å²	73	43.9 Å²	43.9	38%	0.382	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-6.3	175.5	-63.4	164.1	0	0	0	114.2	F292	F292-L294 PolarHBondContact O-N 2.94Å
295	R	40.6	Very low	59.5	Low	90 Å²	90	46.8 Å²	46.8	34%	0.34	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	2.8	-164.5	-66.1	-165.1	177.4	167.1	7.1	117.1	K18 E124 F292 I297	K18-R295 PolarHBondContact NZ-O 3.2Å; E124-R295 IonicContact OE1-CZ 2.92Å; E124-R295 IonicContact OE1-NH1 3.33Å; E124-R295 PolarHBondContact OE1-NH1 2.8Å; E124-R295 VanDerWaalsContact OE1-NH1 3.08Å; E124-R295 IonicContact OE1-NH2 2.79Å; E124-R295 PolarHBondContact OE1-NH2 3.3Å; E124-R295 IonicContact OE2-CZ 2.69Å; E124-R295 IonicContact OE2-NH1 2.62Å; E124-R295 PolarHBondContact OE2-NH1 3.24Å; E124-R295 IonicContact OE2-NH2 3.46Å; E124-R295 PolarHBondContact OE2-NH2 2.94Å; E124-R295 VanDerWaalsContact OE2-NH2 3.15Å; F292-R295 HydrophobicContact CD1-CB 4.42Å; F292-R295 PolarHBondContact O-N 2.89Å; R295-I297 HydrophobicContact CB-CD1 3.8Å; R295-I297 HydrophobicContact CB-CG1 3.75Å; R295-I297 WeakPolarHBondContact O-CG1 2.94Å; R295-I297 PolarHBondContact O-N 2.83Å
296	A	40.9	Very low	58.5	Low	64 Å²	64	51.1 Å²	51.1	53%	0.529	28%	0.279	S	S	.	.			trans	47.8	29.3	176.9	0	0	0	0	0	113.9	K18 R298	K18-A296 HydrophobicContact CD-CB 4.48Å; K18-A296 WeakPolarHBondContact CD-O 3.37Å; A296-R298 PolarHBondContact O-N 3.32Å
297	I	37.3	Very low	57.2	Low	46 Å²	46	51.1 Å²	51.1	24%	0.236	28%	0.279	C	S	.	.			trans	-75.6	125.3	-176.6	-60	169.6	0	0	0	107.6	F292 R295 H299 L302	F292-I297 HydrophobicContact CD1-CD1 3.48Å; F292-I297 VanDerWaalsContact CD1-CD1 3.48Å; F292-I297 HydrophobicContact CE1-CD1 3.99Å; F292-I297 HydrophobicContact CG-CD1 4.15Å; R295-I297 HydrophobicContact CB-CD1 3.8Å; R295-I297 HydrophobicContact CB-CG1 3.75Å; R295-I297 WeakPolarHBondContact O-CG1 2.94Å; R295-I297 PolarHBondContact O-N 2.83Å; I297-H299 PolarHBondContact O-N 3.18Å; I297-L302 HydrophobicContact CB-CD1 4.26Å; I297-L302 HydrophobicContact CG2-CD1 3.79Å; I297-L302 HydrophobicContact CG2-CG 4.36Å
298	R	41.9	Very low	56.3	Low	160 Å²	160	52.2 Å²	52.2	60%	0.604	28%	0.284	S	S	*	.			trans	-53.4	116.7	170.1	-86.4	-172	174	176.3	-1.7	108.9	C19 A296 S300	C19-R298 PolarHBondContact SG-NE 3.36Å; A296-R298 PolarHBondContact O-N 3.32Å; R298-S300 PolarHBondContact O-N 3.09Å; R298-S300 VanDerWaalsContact O-N 3.16Å
299	H	47.1	Very low	55.8	Low	63 Å²	63	55.2 Å²	55.2	29%	0.292	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.8	-178.3	-64.8	-77.2	0	0	0	113.2	V288 I297 S301 L302 L303	V288-H299 WeakPolarHBondContact CG1-ND1 3.36Å; I297-H299 PolarHBondContact O-N 3.18Å; H299-S301 PolarHBondContact O-N 3.22Å; H299-L302 CarbonylContact O-C 3.56Å; H299-L302 PolarHBondContact O-N 3.29Å; H299-L303 HydrophobicContact CB-CD1 3.75Å; H299-L303 HydrophobicContact CB-CG 4.12Å; H299-L303 WeakPolarHBondContact O-CB 3.37Å; H299-L303 WeakPolarHBondContact O-CG 3.49Å; H299-L303 PolarHBondContact O-N 3.11Å
300	S	46	Very low	55.2	Low	89 Å²	89	54.8 Å²	54.8	62%	0.622	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.8	-176.1	50.9	0	0	0	0	112.9	R298	R298-S300 PolarHBondContact O-N 3.09Å; R298-S300 VanDerWaalsContact O-N 3.16Å
301	S	47.2	Very low	54.6	Low	88 Å²	88	54 Å²	54	62%	0.615	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.3	177.3	-49.5	0	0	0	0	113.5	H299 L303	H299-S301 PolarHBondContact O-N 3.22Å; S301-L303 VanDerWaalsContact C-N 3.32Å
302	L	51.9	Low	54.7	Low	16 Å²	16	54 Å²	54	8%	0.084	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.6	179	-64.4	177.5	0	0	0	113.2	L127 V288 F292 I297 H299 C307	L127-L302 HydrophobicContact CB-CD2 4.21Å; L127-L302 HydrophobicContact CD1-CD2 3.7Å; L127-L302 HydrophobicContact CD2-CD2 3.38Å; L127-L302 HydrophobicContact CG-CD2 3.93Å; V288-L302 HydrophobicContact CG1-CB 4.16Å; V288-L302 HydrophobicContact CG1-CD1 3.67Å; F292-L302 HydrophobicContact CD2-CD1 4.06Å; F292-L302 HydrophobicContact CE2-CD1 4.29Å; F292-L302 HydrophobicContact CG-CD1 4.44Å; I297-L302 HydrophobicContact CB-CD1 4.26Å; I297-L302 HydrophobicContact CG2-CD1 3.79Å; I297-L302 HydrophobicContact CG2-CG 4.36Å; H299-L302 CarbonylContact O-C 3.56Å; H299-L302 PolarHBondContact O-N 3.29Å; L302-C307 PolarHBondContact O-SG 3.11Å
303	L	55	Low	55.2	Low	51 Å²	51	58.6 Å²	58.6	27%	0.267	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	10	179.8	-66	175.5	0	0	0	112.8	V285 H299 S301 Q308	V285-L303 HydrophobicContact CB-CD2 4.36Å; V285-L303 HydrophobicContact CG2-CD2 3.37Å; H299-L303 HydrophobicContact CB-CD1 3.75Å; H299-L303 HydrophobicContact CB-CG 4.12Å; H299-L303 WeakPolarHBondContact O-CB 3.37Å; H299-L303 WeakPolarHBondContact O-CG 3.49Å; H299-L303 PolarHBondContact O-N 3.11Å; S301-L303 VanDerWaalsContact C-N 3.32Å; L303-Q308 PolarHBondContact O-NE2 3.03Å
304	S	59.6	Low	55.6	Low	44 Å²	44	58.5 Å²	58.5	31%	0.308	32%	0.323	S	S	.	.	S	Bend	trans	-57.4	148.2	165.2	68.7	0	0	0	0	109.8	D306 C307 Q308	S304-D306 PolarHBondContact O-N 2.85Å; S304-C307 PolarHBondContact O-N 3.11Å; S304-C307 VanDerWaalsContact O-N 3.17Å; S304-C307 VanDerWaalsContact OG-CB 3.24Å; S304-C307 WeakPolarHBondContact OG-CB 3.21Å; S304-C307 PolarHBondContact OG-N 2.94Å; S304-Q308 WeakPolarHBondContact O-CG 3.41Å; S304-Q308 PolarHBondContact O-N 3.44Å
305	S	64.3	Low	56.5	Low	62 Å²	62	55 Å²	55	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-50.1	-43.3	178.7	47.7	0	0	0	0	111.8	C307 Q308 D309	S305-C307 VanDerWaalsContact C-N 3.34Å; S305-C307 PolarHBondContact O-N 3.09Å; S305-Q308 WeakPolarHBondContact O-CB 3.49Å; S305-Q308 PolarHBondContact O-N 2.79Å; S305-D309 PolarHBondContact O-N 3.21Å
306	D	63.4	Low	57.6	Low	108 Å²	108	52.3 Å²	52.3	58%	0.578	30%	0.302	S	S	*	.	H	α-helix	trans	-70.9	-34.4	-172.6	-52.3	-8.3	0	0	0	111.5	S304 S310	S304-D306 PolarHBondContact O-N 2.85Å; D306-S310 VanDerWaalsContact O-CB 3.26Å; D306-S310 WeakPolarHBondContact O-CB 3.21Å; D306-S310 PolarHBondContact O-N 3.27Å; D306-S310 PolarHBondContact O-OG 3.29Å
307	C	62.5	Low	58.8	Low	1 Å²	1	52.1 Å²	52.1	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-71.6	-39.9	173.9	-177.3	0	0	0	0	111.3	L127 I130 L302 S304 S305 L311	L127-C307 WeakPolarHBondContact CD2-SG 3.24Å; I130-C307 HydrophobicContact CD1-CB 4.03Å; L302-C307 PolarHBondContact O-SG 3.11Å; S304-C307 PolarHBondContact O-N 3.11Å; S304-C307 VanDerWaalsContact O-N 3.17Å; S304-C307 VanDerWaalsContact OG-CB 3.24Å; S304-C307 WeakPolarHBondContact OG-CB 3.21Å; S304-C307 PolarHBondContact OG-N 2.94Å; S305-C307 VanDerWaalsContact C-N 3.34Å; S305-C307 PolarHBondContact O-N 3.09Å; C307-L311 VanDerWaalsContact O-CB 3.22Å; C307-L311 WeakPolarHBondContact O-CB 3.38Å; C307-L311 PolarHBondContact O-N 3.28Å
308	Q	64.2	Low	59.7	Low	24 Å²	24	52.6 Å²	52.6	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176.1	-68	179.2	19	0	0	111.3	N281 L303 S304 S305 L311 L312	N281-Q308 PolarHBondContact ND2-OE1 3.49Å; N281-Q308 VanDerWaalsContact ND2-OE1 3.11Å; N281-Q308 PolarHBondContact OD1-OE1 3Å; N281-Q308 VanDerWaalsContact OD1-OE1 3.09Å; L303-Q308 PolarHBondContact O-NE2 3.03Å; S304-Q308 WeakPolarHBondContact O-CG 3.41Å; S304-Q308 PolarHBondContact O-N 3.44Å; S305-Q308 WeakPolarHBondContact O-CB 3.49Å; S305-Q308 PolarHBondContact O-N 2.79Å; Q308-L311 PolarHBondContact O-N 3.02Å; Q308-L312 WeakPolarHBondContact O-CB 3.29Å; Q308-L312 WeakPolarHBondContact O-CD1 3.18Å; Q308-L312 WeakPolarHBondContact O-CG 3.38Å; Q308-L312 PolarHBondContact O-N 3.45Å
309	D	67.4	Low	60.5	Low	64 Å²	64	45.1 Å²	45.1	34%	0.342	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-43.7	179.2	-67.2	-23.2	0	0	0	110.7	R277 S305 L311 L312 D313	R277-D309 IonicContact NH2-OD1 3.64Å; R277-D309 IonicContact NH2-OD2 3.32Å; R277-D309 PolarHBondContact NH2-OD2 3.28Å; S305-D309 PolarHBondContact O-N 3.21Å; D309-L311 VanDerWaalsContact C-N 3.34Å; D309-L311 PolarHBondContact O-N 3.14Å; D309-L312 PolarHBondContact O-N 3.23Å; D309-D313 PolarHBondContact O-N 3.05Å
310	S	66.2	Low	60.8	Low	32 Å²	32	46.8 Å²	46.8	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-40.6	174.1	-75.5	0	0	0	0	113.6	R126 D306 L314	R126-S310 PolarHBondContact NH1-O 3.38Å; R126-S310 VanDerWaalsContact NH2-CB 3.26Å; R126-S310 PolarHBondContact NH2-OG 3.04Å; R126-S310 VanDerWaalsContact NH2-OG 3.12Å; D306-S310 VanDerWaalsContact O-CB 3.26Å; D306-S310 WeakPolarHBondContact O-CB 3.21Å; D306-S310 PolarHBondContact O-N 3.27Å; D306-S310 PolarHBondContact O-OG 3.29Å; S310-L314 PolarHBondContact O-N 3.32Å
311	L	66.2	Low	61.3	Low	6 Å²	6	49 Å²	49	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-50.3	177.3	-168.2	118.6	0	0	0	108.9	L123 A284 M287 V288 C307 Q308 D309 D313 L314 L315	L123-L311 HydrophobicContact CD2-CD1 3.72Å; L123-L311 HydrophobicContact CD2-CG 4.23Å; A284-L311 HydrophobicContact CB-CD2 3.51Å; M287-L311 HydrophobicContact CB-CD2 4.14Å; V288-L311 HydrophobicContact CG2-CD1 3.83Å; V288-L311 HydrophobicContact CG2-CD2 4.47Å; C307-L311 VanDerWaalsContact O-CB 3.22Å; C307-L311 WeakPolarHBondContact O-CB 3.38Å; C307-L311 PolarHBondContact O-N 3.28Å; Q308-L311 PolarHBondContact O-N 3.02Å; D309-L311 VanDerWaalsContact C-N 3.34Å; D309-L311 PolarHBondContact O-N 3.14Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 3.22Å; L311-L314 CarbonylContact O-C 3.47Å; L311-L314 WeakPolarHBondContact O-CA 3.26Å; L311-L314 WeakPolarHBondContact O-CB 3.46Å; L311-L314 PolarHBondContact O-N 2.97Å; L311-L315 HydrophobicContact CD2-CD1 3.8Å; L311-L315 HydrophobicContact CD2-CG 4.23Å; L311-L315 VanDerWaalsContact O-CG 3.25Å; L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.93Å
312	L	67.7	Low	61.6	Low	18 Å²	18	46.4 Å²	46.4	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-41.6	178.2	-73.4	166.7	0	0	0	113.3	Q280 A284 Q308 D309 L314 L315 A316	Q280-L312 HydrophobicContact CB-CD1 3.54Å; Q280-L312 HydrophobicContact CB-CD2 3.65Å; Q280-L312 HydrophobicContact CB-CG 4.24Å; Q280-L312 HydrophobicContact CG-CD2 4.44Å; A284-L312 HydrophobicContact CB-CD2 4.43Å; A284-L312 HydrophobicContact CB-CG 4.38Å; Q308-L312 WeakPolarHBondContact O-CB 3.29Å; Q308-L312 WeakPolarHBondContact O-CD1 3.18Å; Q308-L312 WeakPolarHBondContact O-CG 3.38Å; Q308-L312 PolarHBondContact O-N 3.45Å; D309-L312 PolarHBondContact O-N 3.23Å; L312-L314 VanDerWaalsContact C-N 3.3Å; L312-L314 PolarHBondContact O-N 3.08Å; L312-L315 HydrophobicContact CD2-CD1 4.32Å; L312-L315 CarbonylContact O-C 3.45Å; L312-L315 WeakPolarHBondContact O-CA 3.39Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 3.03Å; L312-A316 PolarHBondContact O-N 3.43Å
313	D	69.3	Low	61.4	Low	106 Å²	106	51.5 Å²	51.5	57%	0.567	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-41.4	174.2	-83.6	-16.9	0	0	0	112	D309 L311 L315 A316 S317	D309-D313 PolarHBondContact O-N 3.05Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 3.22Å; D313-L315 VanDerWaalsContact C-N 3.32Å; D313-A316 PolarHBondContact O-N 2.86Å; D313-S317 PolarHBondContact O-N 2.81Å; D313-S317 VanDerWaalsContact O-N 3.11Å
314	L	65.2	Low	60.7	Low	23 Å²	23	53.6 Å²	53.6	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-36.1	173.6	-164.1	82.2	0	0	0	111.2	L123 S310 L311 L312 A316 S317 L318	L123-L314 HydrophobicContact CB-CD2 4.41Å; L123-L314 HydrophobicContact CD1-CD2 4.02Å; L123-L314 HydrophobicContact CD2-CD2 3.3Å; L123-L314 HydrophobicContact CG-CD2 3.24Å; S310-L314 PolarHBondContact O-N 3.32Å; L311-L314 CarbonylContact O-C 3.47Å; L311-L314 WeakPolarHBondContact O-CA 3.26Å; L311-L314 WeakPolarHBondContact O-CB 3.46Å; L311-L314 PolarHBondContact O-N 2.97Å; L312-L314 VanDerWaalsContact C-N 3.3Å; L312-L314 PolarHBondContact O-N 3.08Å; L314-A316 VanDerWaalsContact C-N 3.35Å; L314-S317 PolarHBondContact O-N 2.85Å; L314-S317 PolarHBondContact O-OG 2.79Å; L314-L318 HydrophobicContact CD2-CD1 4.32Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CD1 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 2.83Å; L314-L318 VanDerWaalsContact O-N 3.1Å
315	L	62.7	Low	59.7	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-39.7	177.1	-58.6	-172	0	0	0	112.2	F267 V283 M287 L311 L312 D313 S317 L318 C319	F267-L315 HydrophobicContact CZ-CD1 4.45Å; V283-L315 HydrophobicContact CG1-CD1 4.05Å; M287-L315 HydrophobicContact CB-CD1 4.43Å; M287-L315 HydrophobicContact CE-CD1 4.45Å; M287-L315 HydrophobicContact CE-CD2 3.21Å; M287-L315 HydrophobicContact CE-CG 4.38Å; M287-L315 HydrophobicContact CG-CD1 3.93Å; M287-L315 HydrophobicContact CG-CD2 4.45Å; M287-L315 HydrophobicContact SD-CD1 3.17Å; M287-L315 WeakPolarHBondContact SD-CD1 3.5Å; M287-L315 HydrophobicContact SD-CD2 3.06Å; M287-L315 WeakPolarHBondContact SD-CD2 3.24Å; M287-L315 HydrophobicContact SD-CG 3.63Å; L311-L315 HydrophobicContact CD2-CD1 3.8Å; L311-L315 HydrophobicContact CD2-CG 4.23Å; L311-L315 VanDerWaalsContact O-CG 3.25Å; L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.93Å; L312-L315 HydrophobicContact CD2-CD1 4.32Å; L312-L315 CarbonylContact O-C 3.45Å; L312-L315 WeakPolarHBondContact O-CA 3.39Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 3.03Å; D313-L315 VanDerWaalsContact C-N 3.32Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 2.84Å; L315-L318 HydrophobicContact CD2-CD1 4.23Å; L315-L318 PolarHBondContact O-N 3.28Å; L315-C319 PolarHBondContact O-N 3.13Å; L315-C319 VanDerWaalsContact O-N 3.11Å
316	A	64.8	Low	58.5	Low	32 Å²	32	66.1 Å²	66.1	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-35.8	173.5	0	0	0	0	0	111.2	L312 D313 L314 C322	L312-A316 PolarHBondContact O-N 3.43Å; D313-A316 PolarHBondContact O-N 2.86Å; L314-A316 VanDerWaalsContact C-N 3.35Å; A316-C322 WeakPolarHBondContact O-CB 3.49Å
317	S	65.1	Low	57.1	Low	61 Å²	61	68.5 Å²	68.5	43%	0.427	36%	0.36	S	S	.	.	H	α-helix	trans	-72.9	-26.5	175.9	77.4	0	0	0	0	113.7	D313 L314 L315	D313-S317 PolarHBondContact O-N 2.81Å; D313-S317 VanDerWaalsContact O-N 3.11Å; L314-S317 PolarHBondContact O-N 2.85Å; L314-S317 PolarHBondContact O-OG 2.79Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 2.84Å
318	L	56.2	Low	55.7	Low	55 Å²	55	79 Å²	79	29%	0.288	40%	0.401	S	S	.	.	H	α-helix	trans	-85.9	-17.2	-179.7	-64.9	163.9	0	0	0	114	F115 T119 L314 L315 P320	F115-L318 HydrophobicContact CD1-CD1 4.37Å; F115-L318 HydrophobicContact CE1-CD1 4.33Å; T119-L318 HydrophobicContact CG2-CD1 3.33Å; T119-L318 HydrophobicContact CG2-CD2 3.52Å; T119-L318 HydrophobicContact CG2-CG 4.05Å; T119-L318 VanDerWaalsContact OG1-CD2 3.24Å; T119-L318 WeakPolarHBondContact OG1-CD2 3.38Å; L314-L318 HydrophobicContact CD2-CD1 4.32Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CD1 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 2.83Å; L314-L318 VanDerWaalsContact O-N 3.1Å; L315-L318 HydrophobicContact CD2-CD1 4.23Å; L315-L318 PolarHBondContact O-N 3.28Å; L318-P320 WeakPolarHBondContact O-CD 3.48Å
319	C	59	Low	54.3	Low	4 Å²	4	84.6 Å²	84.6	3%	0.027	44%	0.436	C	S	.	.			trans	-83	115.4	177.4	-173.9	0	0	0	0	109.5	Y271 L315 K321 C322	Y271-C319 HydrophobicContact CD1-CB 4.36Å; L315-C319 PolarHBondContact O-N 3.13Å; L315-C319 VanDerWaalsContact O-N 3.11Å; C319-K321 PolarHBondContact O-N 2.93Å; C319-K321 VanDerWaalsContact O-N 3.09Å; C319-C322 HydrophobicContact CB-CB 4.03Å; C319-C322 WeakPolarHBondContact CB-SG 3.3Å; C319-C322 WeakPolarHBondContact O-CB 3.43Å; C319-C322 PolarHBondContact O-N 2.93Å; C319-C322 VanDerWaalsContact SG-SG 3.68Å
320	P	52.8	Low	52.5	Low	98 Å²	98	92.9 Å²	92.9	64%	0.636	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.6	-178.9	-22.1	32.3	0	0	0	112.7	L318 C322 H323	L318-P320 WeakPolarHBondContact O-CD 3.48Å; P320-C322 PolarHBondContact O-N 3.37Å; P320-H323 PolarHBondContact O-N 3.37Å
321	K	57.1	Low	51.9	Low	135 Å²	135	96 Å²	96	59%	0.587	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-72	-15.9	178.1	-64	179.3	179.8	167.8	0	113.4	A268 C319	A268-K321 WeakPolarHBondContact O-CE 3.4Å; A268-K321 PolarHBondContact O-NZ 3.24Å; C319-K321 PolarHBondContact O-N 2.93Å; C319-K321 VanDerWaalsContact O-N 3.09Å
322	C	52.2	Low	51.1	Low	33 Å²	33	100.7 Å²	100.7	22%	0.223	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-91	-12.6	180	-64.5	0	0	0	0	112.9	A316 C319 P320 C324	A316-C322 WeakPolarHBondContact O-CB 3.49Å; C319-C322 HydrophobicContact CB-CB 4.03Å; C319-C322 WeakPolarHBondContact CB-SG 3.3Å; C319-C322 WeakPolarHBondContact O-CB 3.43Å; C319-C322 PolarHBondContact O-N 2.93Å; C319-C322 VanDerWaalsContact SG-SG 3.68Å; P320-C322 PolarHBondContact O-N 3.37Å; C322-C324 PolarHBondContact O-N 3.08Å
323	H	48.2	Very low	50.2	Low	123 Å²	123	105.3 Å²	105.3	57%	0.569	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.3	174.7	-99.4	32.7	0	0	0	114.1	P320	P320-H323 PolarHBondContact O-N 3.37Å
324	C	39.8	Very low	49.1	Very low	96 Å²	96	105.2 Å²	105.2	65%	0.649	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.4	-172.8	-56.9	0	0	0	0	115.3	C322	C322-C324 PolarHBondContact O-N 3.08Å
325	D	39	Very low	48.1	Very low	133 Å²	133	110.4 Å²	110.4	71%	0.711	57%	0.566	S	S	*	*	S	Bend	trans	-107.9	2	-173.2	-79.6	-11.3	0	0	0	114.5	K274	K274-D325 IonicContact NZ-OD2 3.48Å; K274-D325 PolarHBondContact NZ-OD2 2.97Å
326	R	38.8	Very low	47.1	Very low	235 Å²	235	117.7 Å²	117.7	89%	0.887	60%	0.604	S	S	*	*	S	Bend	trans	-114.8	11.6	-175.4	-123.3	179.4	-174.4	169.1	1.7	116.1
327	M	35.5	Very low	45.8	Very low	159 Å²	159	123.8 Å²	123.8	78%	0.783	63%	0.628	S	S	*	*	S	Bend	trans	-107.3	18.6	179.8	-75.4	-121.3	173.1	0	0	115.2
328	Y	31.6	Very low	44.3	Very low	220 Å²	220	128.6 Å²	128.6	86%	0.863	64%	0.643	S	S	*	*			trans	-139	77.3	171.3	-77.3	-84	0	0	0	111.6
329	V	35.7	Very low	43.3	Very low	143 Å²	143	134.8 Å²	134.8	87%	0.867	67%	0.673	S	S	*	*			trans	-145.9	96.7	147	-170.5	0	0	0	0	106.7
330	N	30.3	Very low	41.9	Very low	238 Å²	238	146.6 Å²	146.6	100%	1.273	73%	0.732	S	S	*	*			trans	-85.1	0	144.4	-89.5	-18.7	0	0	0	107.1

Retrieved 330 of 330 residues in 1686.2 ms (Link to these results)

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