A0A3Q0KLE8_SCHMA Loading...

JmjC domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 523 aa.

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(Predicted Aligned Error values between residue pairs)

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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	27.3	Very low	25.3	Very low	245 Å²	245	143 Å²	143	100%	1.207	84%	0.843	S	S	*	*				0	100.1	0	-67.6	171.4	90.3	0	0	106.7
2	T	28.1	Very low	25.2	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	84%	0.836	S	S	*	*			trans	-91.1	109.3	-176.1	41.9	0	0	0	0	108.5	S4	T2-S4 PolarHBondContact O-N 3.26Å
3	A	26.1	Very low	25.3	Very low	103 Å²	103	144.4 Å²	144.4	85%	0.851	84%	0.838	S	S	*	*			trans	-77.6	103.1	172.6	0	0	0	0	0	108.5	S5	A3-S5 PolarHBondContact O-N 3.3Å
4	S	24.1	Very low	25.1	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	84%	0.835	S	S	*	*			trans	-67.8	112	167.7	-74.5	0	0	0	0	109.2	T2 Q6	T2-S4 PolarHBondContact O-N 3.26Å; S4-Q6 PolarHBondContact O-N 3.14Å; S4-Q6 VanDerWaalsContact O-N 3.14Å
5	S	25.9	Very low	25.3	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	83%	0.828	S	S	*	*			trans	-66.9	103	167.7	54.4	0	0	0	0	109.1	A3 N7	A3-S5 PolarHBondContact O-N 3.3Å; S5-N7 PolarHBondContact O-N 3.33Å
6	Q	26.2	Very low	25.2	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	83%	0.832	S	S	*	*			trans	-71.2	115.1	167.8	-70.3	-174.8	-6.7	0	0	108.3	S4 S8	S4-Q6 PolarHBondContact O-N 3.14Å; S4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-S8 PolarHBondContact O-N 3.01Å
7	N	22.5	Very low	25.5	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	83%	0.833	S	S	*	*			trans	-62.1	98.7	168.3	-74.1	-18.8	0	0	0	108.9	S5 C9	S5-N7 PolarHBondContact O-N 3.33Å; N7-C9 PolarHBondContact O-N 3.31Å
8	S	23.2	Very low	25.5	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	83%	0.828	S	S	*	*			trans	-79.9	101.5	167.3	54.2	0	0	0	0	108.7	Q6 L10	Q6-S8 PolarHBondContact O-N 3.01Å; S8-L10 PolarHBondContact O-N 2.97Å; S8-L10 VanDerWaalsContact O-N 3.09Å
9	C	24.6	Very low	25.5	Very low	119 Å²	119	148.2 Å²	148.2	80%	0.804	83%	0.83	S	S	*	*			trans	-54.8	110.8	167.1	-60.8	0	0	0	0	109.1	N7 N11	N7-C9 PolarHBondContact O-N 3.31Å; C9-N11 PolarHBondContact O-N 3.38Å
10	L	25.8	Very low	25.8	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	83%	0.827	S	S	*	*			trans	-63.1	125.2	176.5	-83.7	163.4	0	0	0	109.9	S8	S8-L10 PolarHBondContact O-N 2.97Å; S8-L10 VanDerWaalsContact O-N 3.09Å
11	N	24.4	Very low	25.7	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	82%	0.824	S	S	*	*			trans	-44.2	127.4	-175.2	-69.7	-43.9	0	0	0	114.4	C9 F13	C9-N11 PolarHBondContact O-N 3.38Å; N11-F13 PolarHBondContact O-N 3.04Å
12	S	24.1	Very low	26.1	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	81%	0.806	S	S	*	*			trans	-57.5	122.5	161.9	-162.2	0	0	0	0	109.2	D14	S12-D14 PolarHBondContact O-N 3.33Å
13	F	26.2	Very low	26.2	Very low	194 Å²	194	139.6 Å²	139.6	85%	0.851	80%	0.799	S	S	*	*			trans	-68.7	94.8	173	-86.4	-97.5	0	0	0	109.2	N11 I15	N11-F13 PolarHBondContact O-N 3.04Å; F13-I15 VanDerWaalsContact C-N 3.29Å; F13-I15 PolarHBondContact O-N 3.09Å
14	D	23	Very low	26.3	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	80%	0.797	S	S	*	*			trans	-69.9	88.8	165.1	-98.7	-31.5	0	0	0	109	S12 R16	S12-D14 PolarHBondContact O-N 3.33Å; D14-R16 PolarHBondContact O-N 2.69Å
15	I	28.2	Very low	26.4	Very low	140 Å²	140	147.7 Å²	147.7	72%	0.718	81%	0.805	S	S	*	*			trans	-67.9	98.9	167	-60.4	170.8	0	0	0	106.3	F13 K17	F13-I15 VanDerWaalsContact C-N 3.29Å; F13-I15 PolarHBondContact O-N 3.09Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 2.86Å
16	R	24	Very low	26.4	Very low	237 Å²	237	145.8 Å²	145.8	89%	0.894	80%	0.802	S	S	*	*			trans	-56.3	96.8	168.6	-69.4	-175.8	-176	-176.8	1.5	108.4	D14 A18	D14-R16 PolarHBondContact O-N 2.69Å; R16-A18 PolarHBondContact O-N 3.04Å
17	K	29.2	Very low	26.4	Very low	198 Å²	198	145.8 Å²	145.8	86%	0.861	81%	0.807	S	S	*	*			trans	-61.8	104.2	167.4	-76.5	-178.8	176.3	-179.6	0	107.5	I15 S19	I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 2.86Å; K17-S19 PolarHBondContact O-N 3.06Å
18	A	26.9	Very low	26.6	Very low	88 Å²	88	143.4 Å²	143.4	73%	0.727	80%	0.802	S	S	*	*			trans	-58.9	122.3	167.1	0	0	0	0	0	108.2	R16 V20	R16-A18 PolarHBondContact O-N 3.04Å; A18-V20 PolarHBondContact O-N 3.05Å; A18-V20 VanDerWaalsContact O-N 3.12Å
19	S	25.5	Very low	26.7	Very low	124 Å²	124	142.3 Å²	142.3	87%	0.867	81%	0.807	S	S	*	*			trans	-66.5	108.2	177.2	61.7	0	0	0	0	109.2	K17	K17-S19 PolarHBondContact O-N 3.06Å
20	V	30.2	Very low	26.9	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	81%	0.808	S	S	*	*			trans	-104.9	123.1	168.1	178.8	0	0	0	0	107.1	A18	A18-V20 PolarHBondContact O-N 3.05Å; A18-V20 VanDerWaalsContact O-N 3.12Å
21	D	24.6	Very low	27.1	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	80%	0.799	S	S	*	*			trans	-54.4	122.8	-178.2	-108.7	-40.4	0	0	0	111.4	S23	D21-S23 PolarHBondContact O-N 3.37Å
22	P	35.1	Very low	27.4	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	33.3	-167.2	33.8	-36	0	0	0	114.3
23	S	29.8	Very low	27.9	Very low	102 Å²	102	143.1 Å²	143.1	71%	0.713	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	1.6	-173.2	66.1	0	0	0	0	116.6	D21	D21-S23 PolarHBondContact O-N 3.37Å
24	K	28.3	Very low	28	Very low	186 Å²	186	136.3 Å²	136.3	81%	0.809	76%	0.762	S	S	*	*	S	Bend	trans	-141.6	137.3	172.5	-71.6	-171.9	178.1	178.5	0	112.1
25	E	27.7	Very low	28.3	Very low	195 Å²	195	130.8 Å²	130.8	91%	0.911	74%	0.737	S	S	*	*			trans	85.6	93.9	172.6	-65.8	172.1	177.9	0	0	115.7
26	G	24.3	Very low	28.8	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	71%	0.705	S	S	*	*			trans	-70.4	147.3	170.3	0	0	0	0	0	112.6	S28	G26-S28 PolarHBondContact O-N 2.99Å
27	L	27.6	Very low	29.2	Very low	182 Å²	182	114.4 Å²	114.4	95%	0.953	67%	0.668	S	S	*	*	S	Bend	trans	51.3	59.6	145.3	-60.3	168.4	0	0	0	116.2
28	S	26.9	Very low	29.5	Very low	100 Å²	100	105 Å²	105	70%	0.699	63%	0.628	S	S	*	*			trans	-135.6	47.3	147.6	60.4	0	0	0	0	110.3	G26 F30	G26-S28 PolarHBondContact O-N 2.99Å; S28-F30 PolarHBondContact O-N 2.99Å
29	G	24.7	Very low	29.9	Very low	82 Å²	82	103.7 Å²	103.7	85%	0.845	60%	0.604	S	S	*	*			trans	-73	52	168.7	0	0	0	0	0	111.8	S31	G29-S31 PolarHBondContact O-N 3.46Å; G29-S31 VanDerWaalsContact O-N 3.09Å
30	F	28.8	Very low	30.2	Very low	185 Å²	185	99.7 Å²	99.7	81%	0.811	58%	0.575	S	S	*	*			trans	-70	103.4	160.7	-77.3	-79.6	0	0	0	105.8	S28 Q32	S28-F30 PolarHBondContact O-N 2.99Å; F30-Q32 PolarHBondContact O-N 3.24Å
31	S	30.1	Very low	30.5	Very low	100 Å²	100	95.8 Å²	95.8	70%	0.699	55%	0.549	S	S	*	.			trans	-58	97.6	162.2	61.1	0	0	0	0	106.2	G29 Q33	G29-S31 PolarHBondContact O-N 3.46Å; G29-S31 VanDerWaalsContact O-N 3.09Å; S31-Q33 VanDerWaalsContact C-N 3.3Å; S31-Q33 PolarHBondContact O-N 2.95Å
32	Q	30.8	Very low	31	Very low	172 Å²	172	97.9 Å²	97.9	80%	0.804	56%	0.555	S	S	*	*			trans	-61.1	100.1	173.7	-75.8	179.8	-5.2	0	0	106.4	F30	F30-Q32 PolarHBondContact O-N 3.24Å
33	Q	33.1	Very low	30.7	Very low	106 Å²	106	94.2 Å²	94.2	50%	0.495	53%	0.532	S	S	.	.			trans	-66.3	130.2	167.6	-69.6	-171.8	-3.7	0	0	106.4	S31 A35	S31-Q33 VanDerWaalsContact C-N 3.3Å; S31-Q33 PolarHBondContact O-N 2.95Å; Q33-A35 PolarHBondContact O-N 2.9Å
34	P	30.1	Very low	30.6	Very low	51 Å²	51	90.4 Å²	90.4	33%	0.331	51%	0.505	S	S	.	.			trans	-63	110.7	-179.7	23.2	-30.5	0	0	0	109.3	P231 C248	P34-P231 HydrophobicContact CB-CB 4.07Å; P34-P231 HydrophobicContact CB-CG 3.85Å; P34-C248 WeakPolarHBondContact O-CB 3.4Å; P34-C248 PolarHBondContact O-N 3.19Å; P34-C248 VanDerWaalsContact O-N 3.09Å
35	A	29.4	Very low	30.8	Very low	34 Å²	34	86.8 Å²	86.8	28%	0.281	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.4	171.2	0	0	0	0	0	109.5	Q33 P231 T245 V246	Q33-A35 PolarHBondContact O-N 2.9Å; A35-P231 WeakPolarHBondContact O-CB 3.34Å; A35-T245 HydrophobicContact CB-CG2 3.44Å; A35-T245 VanDerWaalsContact CB-CG2 3.44Å; A35-V246 WeakPolarHBondContact CA-O 3.45Å
36	F	37.9	Very low	30.9	Very low	10 Å²	10	83.9 Å²	83.9	4%	0.044	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152	178	67.1	-90.2	0	0	0	111.3	A38 V213 I229 T245 V246 C248	F36-A38 HydrophobicContact CE2-CB 4.25Å; F36-V213 HydrophobicContact CD2-CG1 3.68Å; F36-V213 HydrophobicContact CD2-CG2 4.47Å; F36-V213 HydrophobicContact CE2-CB 4.25Å; F36-V213 HydrophobicContact CE2-CG1 3.42Å; F36-V213 VanDerWaalsContact CE2-CG1 3.42Å; F36-V213 HydrophobicContact CE2-CG2 3.75Å; F36-V213 HydrophobicContact CZ-CG1 4.19Å; F36-I229 HydrophobicContact CB-CG2 3.85Å; F36-I229 HydrophobicContact CD1-CB 4.37Å; F36-I229 HydrophobicContact CD1-CD1 4.42Å; F36-I229 HydrophobicContact CD1-CG2 3.43Å; F36-I229 VanDerWaalsContact CD1-CG2 3.43Å; F36-I229 HydrophobicContact CD2-CG2 3.69Å; F36-I229 HydrophobicContact CE1-CB 4.49Å; F36-I229 HydrophobicContact CE1-CD1 3.71Å; F36-I229 HydrophobicContact CE1-CG2 3.8Å; F36-I229 HydrophobicContact CE2-CD1 4.46Å; F36-I229 HydrophobicContact CE2-CG2 4.06Å; F36-I229 HydrophobicContact CG-CG2 3.36Å; F36-I229 HydrophobicContact CZ-CD1 3.73Å; F36-I229 HydrophobicContact CZ-CG2 4.1Å; F36-T245 WeakPolarHBondContact O-CA 3.4Å; F36-V246 HydrophobicContact CD1-CB 4.46Å; F36-V246 WeakPolarHBondContact CD1-O 2.96Å; F36-V246 HydrophobicContact CD2-CB 4.48Å; F36-V246 HydrophobicContact CE1-CB 3.91Å; F36-V246 HydrophobicContact CE1-CG1 4Å; F36-V246 HydrophobicContact CE2-CB 3.91Å; F36-V246 HydrophobicContact CE2-CG2 4.25Å; F36-V246 HydrophobicContact CZ-CB 3.61Å; F36-V246 HydrophobicContact CZ-CG1 3.76Å; F36-V246 HydrophobicContact CZ-CG2 4.3Å; F36-V246 PolarHBondContact N-O 3.12Å; F36-V246 PolarHBondContact O-N 2.86Å; F36-C248 HydrophobicContact CD1-CB 3.85Å; F36-C248 HydrophobicContact CE1-CB 3.89Å
37	N	33.1	Very low	31.3	Very low	24 Å²	24	83.8 Å²	83.8	13%	0.128	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.7	178.5	-70.5	-28.2	0	0	0	110	P243 T245	N37-P243 HydrophobicContact CB-CB 3.69Å; N37-T245 PolarHBondContact OD1-OG1 2.9Å; N37-T245 VanDerWaalsContact OD1-OG1 3.11Å
38	A	33.9	Very low	31.6	Very low	1 Å²	1	78.2 Å²	78.2	1%	0.008	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.9	174.4	0	0	0	0	0	109.3	F36 F211 V213 V244 V246	F36-A38 HydrophobicContact CE2-CB 4.25Å; A38-F211 HydrophobicContact CB-CB 3.84Å; A38-F211 HydrophobicContact CB-CD1 3.79Å; A38-F211 HydrophobicContact CB-CG 3.93Å; A38-V213 HydrophobicContact CB-CG2 4Å; A38-V244 PolarHBondContact N-O 3.14Å; A38-V244 PolarHBondContact O-N 2.94Å; A38-V246 HydrophobicContact CB-CG2 4.05Å
39	Y	36.3	Very low	31.7	Very low	60 Å²	60	77.9 Å²	77.9	24%	0.235	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.7	-175.3	-60.7	-83.7	0	0	0	110.6	L41 F211 L212 P243	Y39-L41 PolarHBondContact O-N 2.69Å; Y39-F211 WeakPolarHBondContact O-CA 3.33Å; Y39-L212 PolarHBondContact N-O 3.16Å; Y39-L212 PolarHBondContact O-N 3.33Å; Y39-P243 HydrophobicContact CE1-CB 4.43Å
40	P	32.4	Very low	32.1	Very low	39 Å²	39	77.7 Å²	77.7	25%	0.253	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127.9	171.5	-16.2	27.7	0	0	0	110	E42 S43 F211	P40-E42 PolarHBondContact O-N 2.93Å; P40-S43 PolarHBondContact O-N 3.33Å; P40-S43 PolarHBondContact O-OG 3.11Å; P40-F211 HydrophobicContact CG-CE1 4.3Å
41	L	36.5	Very low	32.1	Very low	47 Å²	47	74 Å²	74	25%	0.246	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-57.5	-32.2	-179.4	-90	126	0	0	0	113.3	Y39 S43 S44 T210 L212 L327	Y39-L41 PolarHBondContact O-N 2.69Å; L41-S43 PolarHBondContact O-N 2.94Å; L41-S43 VanDerWaalsContact O-N 3.09Å; L41-S44 PolarHBondContact O-N 3Å; L41-S44 PolarHBondContact O-OG 3.45Å; L41-T210 HydrophobicContact CD1-CG2 3.51Å; L41-T210 PolarHBondContact N-O 3.38Å; L41-L212 HydrophobicContact CG-CB 4.49Å; L41-L327 HydrophobicContact CD1-CD2 3.37Å; L41-L327 HydrophobicContact CD2-CD2 4.14Å; L41-L327 HydrophobicContact CG-CD2 4.37Å
42	E	35.1	Very low	32	Very low	185 Å²	185	72.4 Å²	72.4	86%	0.864	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.4	178.9	-59.2	-177.1	174.8	0	0	113	P40	P40-E42 PolarHBondContact O-N 2.93Å
43	S	27.2	Very low	32.1	Very low	51 Å²	51	66.9 Å²	66.9	36%	0.357	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-107	8.5	-176.6	58.6	0	0	0	0	114.4	P40 L41 P45	P40-S43 PolarHBondContact O-N 3.33Å; P40-S43 PolarHBondContact O-OG 3.11Å; L41-S43 PolarHBondContact O-N 2.94Å; L41-S43 VanDerWaalsContact O-N 3.09Å; S43-P45 WeakPolarHBondContact O-CD 3.49Å
44	S	29.3	Very low	32.2	Very low	21 Å²	21	63.9 Å²	63.9	15%	0.147	36%	0.36	C	S	.	.			trans	-116.9	63.9	-173.9	70	0	0	0	0	115.4	L41 N46	L41-S44 PolarHBondContact O-N 3Å; L41-S44 PolarHBondContact O-OG 3.45Å; S44-N46 PolarHBondContact O-N 3.23Å
45	P	32.1	Very low	32.5	Very low	111 Å²	111	61.7 Å²	61.7	72%	0.721	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23	172.5	25.9	-31.7	0	0	0	112.6	S43	S43-P45 WeakPolarHBondContact O-CD 3.49Å
46	N	30.2	Very low	33	Very low	133 Å²	133	63.1 Å²	63.1	71%	0.711	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-5.5	-172.4	-65.2	-27.3	0	0	0	115.3	S44 I49	S44-N46 PolarHBondContact O-N 3.23Å; N46-I49 WeakPolarHBondContact O-CG1 3.43Å
47	L	32.1	Very low	33.1	Very low	65 Å²	65	63.5 Å²	63.5	34%	0.34	35%	0.347	S	S	.	.	S	Bend	trans	-80.8	-17.8	-176.7	-88.1	163.2	0	0	0	113.1	I49 L212 F325	L47-I49 PolarHBondContact O-N 3.49Å; L47-L212 HydrophobicContact CD1-CD2 4.28Å; L47-F325 HydrophobicContact CD2-CE1 4.38Å; L47-F325 HydrophobicContact CD2-CZ 4.37Å
48	L	34	Very low	33.3	Very low	65 Å²	65	64.1 Å²	64.1	34%	0.34	35%	0.352	S	S	.	.	S	Bend	trans	-98.4	66.3	173.4	-60.9	174.8	0	0	0	109.6	L144	L48-L144 HydrophobicContact CB-CD2 4.02Å; L48-L144 HydrophobicContact CD1-CD2 4.15Å
49	I	29.2	Very low	33.2	Very low	93 Å²	93	65.9 Å²	65.9	48%	0.477	36%	0.361	S	S	.	.			trans	-64.4	128	173.4	-55.8	178.8	0	0	0	108.1	N46 L47 T51 N52	N46-I49 WeakPolarHBondContact O-CG1 3.43Å; L47-I49 PolarHBondContact O-N 3.49Å; I49-T51 WeakPolarHBondContact CG2-OG1 3.38Å; I49-T51 PolarHBondContact O-N 3.41Å; I49-N52 PolarHBondContact O-N 3.37Å
50	P	31.5	Very low	33	Very low	78 Å²	78	69.4 Å²	69.4	51%	0.506	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.6	-174.1	-24	31.9	0	0	0	116.5
51	T	28.9	Very low	32.9	Very low	107 Å²	107	73.6 Å²	73.6	66%	0.656	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.2	-178.3	54.3	0	0	0	0	113.4	I49	I49-T51 WeakPolarHBondContact CG2-OG1 3.38Å; I49-T51 PolarHBondContact O-N 3.41Å
52	N	29.3	Very low	32.5	Very low	68 Å²	68	74.9 Å²	74.9	36%	0.364	42%	0.421	S	S	.	.	S	Bend	trans	-94	109.3	179.2	-65.9	-15.5	0	0	0	108.2	I49 V54 P96	I49-N52 PolarHBondContact O-N 3.37Å; N52-V54 HydrophobicContact CB-CG2 4.49Å; N52-V54 PolarHBondContact O-N 3.22Å; N52-P96 HydrophobicContact CB-CB 3.97Å
53	D	32	Very low	32.1	Very low	55 Å²	55	72.3 Å²	72.3	29%	0.294	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	114	169.1	-50.1	-49.2	0	0	0	107.5	P96 N97	D53-P96 CarbonylContact O-C 3.51Å; D53-P96 WeakPolarHBondContact O-CA 3.27Å; D53-N97 HydrophobicContact CB-CB 3.87Å; D53-N97 WeakPolarHBondContact CB-ND2 3.3Å; D53-N97 PolarHBondContact O-N 2.83Å
54	V	36.1	Very low	32.1	Very low	43 Å²	43	73.1 Å²	73.1	26%	0.261	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.6	-175.8	164	0	0	0	0	109.4	N52 I94 F95	N52-V54 HydrophobicContact CB-CG2 4.49Å; N52-V54 PolarHBondContact O-N 3.22Å; V54-I94 HydrophobicContact CB-CG2 4.15Å; V54-I94 HydrophobicContact CG1-CB 3.99Å; V54-I94 HydrophobicContact CG1-CG1 3.89Å; V54-I94 HydrophobicContact CG1-CG2 3.3Å; V54-I94 HydrophobicContact CG2-CG2 3.83Å; V54-F95 CarbonylContact C-O 3.59Å; V54-F95 WeakPolarHBondContact CA-O 3.19Å
55	I	36.8	Very low	32	Very low	5 Å²	5	75.6 Å²	75.6	3%	0.026	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.8	166.6	-61.4	164.9	0	0	0	107.7	F93 I94 F95 N97 I298 I313	I55-F93 VanDerWaalsContact O-O 3.13Å; I55-I94 VanDerWaalsContact O-CA 3.31Å; I55-I94 WeakPolarHBondContact O-CA 3.46Å; I55-F95 HydrophobicContact CB-CB 4.27Å; I55-F95 PolarHBondContact N-O 2.73Å; I55-F95 PolarHBondContact O-N 3.23Å; I55-N97 WeakPolarHBondContact CD1-OD1 3.26Å; I55-I298 HydrophobicContact CG2-CG2 3.74Å; I55-I313 HydrophobicContact CD1-CD1 4.45Å; I55-I313 HydrophobicContact CD1-CG2 3.56Å
56	Y	38.3	Very low	32	Very low	65 Å²	65	72 Å²	72	26%	0.255	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.8	172.6	-179.7	-112.7	0	0	0	110.2	P58 F93 I94 L327	Y56-P58 HydrophobicContact CD1-CB 4.34Å; Y56-P58 HydrophobicContact CD1-CG 4.38Å; Y56-P58 HydrophobicContact CE1-CB 3.63Å; Y56-P58 HydrophobicContact CE1-CG 4.12Å; Y56-P58 WeakPolarHBondContact O-CD 2.92Å; Y56-F93 CarbonylContact C-O 3.56Å; Y56-F93 VanDerWaalsContact CA-O 3.27Å; Y56-F93 WeakPolarHBondContact CA-O 3.24Å; Y56-I94 HydrophobicContact CD2-CG1 4.13Å; Y56-L327 HydrophobicContact CE2-CD1 4.01Å
57	M	39.7	Very low	31.9	Very low	18 Å²	18	69.7 Å²	69.7	9%	0.089	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	99.6	170.7	-173.4	166.6	69.8	0	0	108.8	L59 G92 F93 L225 I294 C297	M57-L59 PolarHBondContact O-N 2.78Å; M57-G92 WeakPolarHBondContact O-CA 3.2Å; M57-F93 HydrophobicContact CB-CB 4.44Å; M57-F93 HydrophobicContact CB-CD2 4.31Å; M57-F93 HydrophobicContact CE-CD2 3.34Å; M57-F93 HydrophobicContact CE-CE2 3.81Å; M57-F93 HydrophobicContact CE-CG 4.33Å; M57-F93 PolarHBondContact N-O 2.73Å; M57-F93 PolarHBondContact O-N 3.12Å; M57-F93 VanDerWaalsContact O-N 3.15Å; M57-L225 HydrophobicContact CE-CD2 3.99Å; M57-I294 HydrophobicContact SD-CG2 4.45Å; M57-C297 HydrophobicContact CG-CB 4.14Å; M57-C297 HydrophobicContact SD-CB 4.22Å
58	P	37.7	Very low	31.7	Very low	36 Å²	36	69.9 Å²	69.9	23%	0.234	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.9	173.9	24.4	-29.1	0	0	0	109.3	Y56	Y56-P58 HydrophobicContact CD1-CB 4.34Å; Y56-P58 HydrophobicContact CD1-CG 4.38Å; Y56-P58 HydrophobicContact CE1-CB 3.63Å; Y56-P58 HydrophobicContact CE1-CG 4.12Å; Y56-P58 WeakPolarHBondContact O-CD 2.92Å
59	L	33	Very low	31.2	Very low	38 Å²	38	73.6 Å²	73.6	20%	0.199	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-82.3	125.7	163.1	-68.9	176.6	0	0	0	107.3	M57 C90 H91 F93	M57-L59 PolarHBondContact O-N 2.78Å; L59-C90 HydrophobicContact CD1-CB 4.23Å; L59-H91 PolarHBondContact N-O 3.24Å; L59-H91 VanDerWaalsContact N-O 3.09Å; L59-F93 HydrophobicContact CD1-CE2 3.82Å; L59-F93 HydrophobicContact CD1-CZ 3.93Å; L59-F93 HydrophobicContact CD2-CE2 3.96Å; L59-F93 HydrophobicContact CG-CE2 3.91Å
60	N	32.3	Very low	31	Very low	135 Å²	135	80.2 Å²	80.2	72%	0.722	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-52.9	133.8	161.1	-78	-22.4	0	0	0	106.9	T62	N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.92Å; N60-T62 PolarHBondContact O-OG1 3.49Å
61	P	29.9	Very low	30.7	Very low	126 Å²	126	78.3 Å²	78.3	82%	0.818	43%	0.426	S	S	*	.			trans	-57.4	96.8	-179	21.3	-30.7	0	0	0	108
62	T	27.5	Very low	30.4	Very low	75 Å²	75	78.6 Å²	78.6	46%	0.46	43%	0.431	S	S	.	.			trans	-91.4	134	-173.5	23.2	0	0	0	0	105.7	N60 V64	N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.92Å; N60-T62 PolarHBondContact O-OG1 3.49Å; T62-V64 PolarHBondContact O-N 3.06Å
63	N	27.4	Very low	30.3	Very low	130 Å²	130	79.4 Å²	79.4	70%	0.695	45%	0.448	S	S	*	.	S	Bend	trans	-66	25.1	-178.9	-66.8	-30.2	0	0	0	113.9	P65	N63-P65 WeakPolarHBondContact O-CD 3.11Å
64	V	26	Very low	29.9	Very low	68 Å²	68	81.9 Å²	81.9	41%	0.412	47%	0.47	S	S	.	.			trans	-109.7	98.8	-177.9	-173.9	0	0	0	0	107.4	T62 L66	T62-V64 PolarHBondContact O-N 3.06Å; V64-L66 PolarHBondContact O-N 3.36Å
65	P	28.2	Very low	29.4	Very low	74 Å²	74	87.2 Å²	87.2	48%	0.481	50%	0.496	S	S	.	.			trans	-61.6	129.9	167.8	25.8	-30.9	0	0	0	107.8	N63 S67 H87	N63-P65 WeakPolarHBondContact O-CD 3.11Å; P65-S67 PolarHBondContact O-N 2.93Å; P65-H87 HydrophobicContact CB-CB 4.08Å
66	L	30.9	Very low	29	Very low	36 Å²	36	95.5 Å²	95.5	19%	0.188	54%	0.535	C	S	.	.			trans	-66.2	93.4	165.4	-64.7	173.6	0	0	0	106.3	V64 L68 P88 C90 L255	V64-L66 PolarHBondContact O-N 3.36Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.11Å; L66-P88 HydrophobicContact CB-CG 4.43Å; L66-C90 HydrophobicContact CD1-CB 3.58Å; L66-L255 HydrophobicContact CD1-CD2 4.09Å; L66-L255 HydrophobicContact CD2-CD2 3.31Å; L66-L255 HydrophobicContact CG-CD2 4.34Å
67	S	28.3	Very low	28.5	Very low	83 Å²	83	99.2 Å²	99.2	58%	0.58	57%	0.565	S	S	*	*			trans	-68.1	98.2	171.5	64.6	0	0	0	0	106.9	P65 Q69	P65-S67 PolarHBondContact O-N 2.93Å; S67-Q69 PolarHBondContact O-N 2.87Å
68	L	27.8	Very low	28	Very low	69 Å²	69	106.9 Å²	106.9	36%	0.361	60%	0.604	S	S	.	*			trans	-57.7	106.4	158.6	-69	173.2	0	0	0	105.6	L66 R70 P88 I253	L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.11Å; L68-R70 PolarHBondContact O-N 3.27Å; L68-R70 VanDerWaalsContact O-N 3.09Å; L68-P88 HydrophobicContact CD1-CG 3.63Å; L68-P88 HydrophobicContact CD2-CG 4.41Å; L68-P88 HydrophobicContact CG-CG 3.75Å; L68-I253 HydrophobicContact CD2-CD1 4.31Å
69	Q	24.1	Very low	27.5	Very low	143 Å²	143	108.3 Å²	108.3	67%	0.668	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-56.5	122.2	171.6	-121.7	-179.4	-9.8	0	0	106.9	S67 A71	S67-Q69 PolarHBondContact O-N 2.87Å; Q69-A71 PolarHBondContact O-N 3.32Å; Q69-A71 VanDerWaalsContact O-N 3.07Å
70	R	25	Very low	27.3	Very low	232 Å²	232	113.8 Å²	113.8	88%	0.875	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-51.9	116.9	-169.7	-159.6	178.4	-159.8	156.5	4.2	109	L68 C72	L68-R70 PolarHBondContact O-N 3.27Å; L68-R70 VanDerWaalsContact O-N 3.09Å; R70-C72 PolarHBondContact O-N 3.3Å; R70-C72 VanDerWaalsContact O-N 3.16Å
71	A	24.6	Very low	27.2	Very low	38 Å²	38	114.5 Å²	114.5	31%	0.314	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-52.9	123.7	166.4	0	0	0	0	0	106.9	Q69 A73	Q69-A71 PolarHBondContact O-N 3.32Å; Q69-A71 VanDerWaalsContact O-N 3.07Å; A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 3.09Å
72	C	24.5	Very low	27.2	Very low	113 Å²	113	115.4 Å²	115.4	76%	0.764	66%	0.662	S	S	*	*			trans	-57.2	99.1	174.5	-70.1	0	0	0	0	107.6	R70 S74	R70-C72 PolarHBondContact O-N 3.3Å; R70-C72 VanDerWaalsContact O-N 3.16Å; C72-S74 PolarHBondContact O-N 3.1Å
73	A	25.3	Very low	27.3	Very low	86 Å²	86	117.3 Å²	117.3	71%	0.711	67%	0.666	S	S	*	*			trans	-64.9	106.1	170.7	0	0	0	0	0	106.2	A71 N75	A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 3.09Å; A73-N75 PolarHBondContact O-N 3.13Å; A73-N75 VanDerWaalsContact O-N 3.13Å
74	S	25	Very low	27.4	Very low	107 Å²	107	113.4 Å²	113.4	75%	0.748	65%	0.649	S	S	*	*			trans	-61.9	113	166.2	50.3	0	0	0	0	107.2	C72 E76	C72-S74 PolarHBondContact O-N 3.1Å; S74-E76 PolarHBondContact O-N 2.8Å
75	N	25.9	Very low	27.5	Very low	154 Å²	154	116.3 Å²	116.3	82%	0.824	65%	0.653	S	S	*	*	S	Bend	trans	-55.7	107.2	171.9	-67.5	-24.7	0	0	0	108.9	A73	A73-N75 PolarHBondContact O-N 3.13Å; A73-N75 VanDerWaalsContact O-N 3.13Å
76	E	27.4	Very low	27.8	Very low	179 Å²	179	113.7 Å²	113.7	84%	0.836	64%	0.64	S	S	*	*			trans	169.3	83	147.9	-97.3	170.6	-173.9	0	0	109.2	S74	S74-E76 PolarHBondContact O-N 2.8Å
77	T	28.9	Very low	27.9	Very low	144 Å²	144	117 Å²	117	88%	0.883	65%	0.654	S	S	*	*			trans	-155	106.8	146.1	-9.7	0	0	0	0	108.6
78	I	29.2	Very low	28.2	Very low	179 Å²	179	113.4 Å²	113.4	92%	0.918	63%	0.628	S	S	*	*			trans	-78.5	116.1	172.4	-66.3	159.9	0	0	0	105.7
79	G	27.3	Very low	28.7	Very low	65 Å²	65	114.4 Å²	114.4	67%	0.67	63%	0.633	S	S	*	*	S	Bend	trans	145.3	101.8	173.7	0	0	0	0	0	113
80	D	28	Very low	29.3	Very low	154 Å²	154	108.4 Å²	108.4	82%	0.824	61%	0.607	S	S	*	*	S	Bend	trans	41.6	122.9	158.2	-64.3	-19.7	0	0	0	120.9
81	D	30.6	Very low	30.1	Very low	150 Å²	150	99.6 Å²	99.6	80%	0.802	58%	0.576	S	S	*	*			trans	63.3	55.8	158.2	-64.2	-15.7	0	0	0	118.4	Q83	D81-Q83 PolarHBondContact O-N 2.8Å
82	T	28.6	Very low	30.8	Very low	145 Å²	145	97.8 Å²	97.8	89%	0.89	56%	0.561	S	S	*	*			trans	-75.8	87.1	161	28.2	0	0	0	0	110.7	S84	T82-S84 PolarHBondContact O-N 2.89Å
83	Q	30.3	Very low	31.8	Very low	115 Å²	115	92.5 Å²	92.5	54%	0.537	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-57.6	125.6	168.3	-69.1	-175.7	4.8	0	0	109.7	D81 Y85 H332	D81-Q83 PolarHBondContact O-N 2.8Å; Q83-Y85 WeakPolarHBondContact O-CD2 3.19Å; Q83-Y85 WeakPolarHBondContact O-CE2 3.14Å; Q83-H332 PolarHBondContact OE1-ND1 3.33Å; Q83-H332 VanDerWaalsContact OE1-ND1 3.07Å
84	S	28.5	Very low	32.7	Very low	48 Å²	48	89.1 Å²	89.1	34%	0.336	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.5	175.5	20.8	0	0	0	0	108.9	T82 I335	T82-S84 PolarHBondContact O-N 2.89Å; S84-I335 WeakPolarHBondContact OG-CD1 3.5Å
85	Y	29.4	Very low	33.6	Very low	129 Å²	129	84.8 Å²	84.8	51%	0.506	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.2	-176	-61.6	-88.6	0	0	0	110.8	Q83 V330 H332	Q83-Y85 WeakPolarHBondContact O-CD2 3.19Å; Q83-Y85 WeakPolarHBondContact O-CE2 3.14Å; Y85-V330 HydrophobicContact CD1-CG1 3.84Å; Y85-V330 HydrophobicContact CG-CG1 4.39Å; Y85-H332 AromaticContact CD1-CE1 3.93Å; Y85-H332 AromaticContact CE1-CE1 3.38Å; Y85-H332 WeakPolarHBondContact CE1-CE1 3.47Å; Y85-H332 AromaticContact CE1-ND1 3.73Å
86	G	33.3	Very low	34.1	Very low	19 Å²	19	78.9 Å²	78.9	20%	0.196	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-67	170.7	171.3	0	0	0	0	0	112.5	R331	G86-R331 PolarHBondContact N-O 3.13Å
87	H	34.1	Very low	34.5	Very low	104 Å²	104	72.6 Å²	72.6	48%	0.481	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.9	126.9	-176.3	-64.5	-1	0	0	0	111.4	P65	P65-H87 HydrophobicContact CB-CB 4.08Å
88	P	33.7	Very low	34.6	Very low	8 Å²	8	68.4 Å²	68.4	5%	0.052	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.4	-179.9	28.3	-36.1	0	0	0	111.3	L66 L68 S329 V330	L66-P88 HydrophobicContact CB-CG 4.43Å; L68-P88 HydrophobicContact CD1-CG 3.63Å; L68-P88 HydrophobicContact CD2-CG 4.41Å; L68-P88 HydrophobicContact CG-CG 3.75Å; P88-S329 CarbonylContact C-O 3.57Å; P88-S329 WeakPolarHBondContact CA-O 3.2Å; P88-V330 HydrophobicContact CB-CG2 4.21Å
89	I	39.2	Very low	34.7	Very low	90 Å²	90	68.2 Å²	68.2	46%	0.462	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.2	174.4	-57	174.3	0	0	0	108.1	L328 S329	I89-L328 WeakPolarHBondContact O-CA 3.12Å; I89-S329 PolarHBondContact N-O 3.05Å; I89-S329 PolarHBondContact O-N 2.91Å
90	C	36.3	Very low	34.9	Very low	18 Å²	18	70 Å²	70	12%	0.122	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.6	176.5	176.9	0	0	0	0	110.3	L59 L66 V326 L327 L328	L59-C90 HydrophobicContact CD1-CB 4.23Å; L66-C90 HydrophobicContact CD1-CB 3.58Å; C90-V326 HydrophobicContact CB-CG1 4.34Å; C90-V326 WeakPolarHBondContact SG-CG1 3.45Å; C90-L327 WeakPolarHBondContact CA-O 2.94Å; C90-L328 HydrophobicContact CB-CD2 3.9Å
91	H	42	Very low	34.9	Very low	46 Å²	46	65.9 Å²	65.9	21%	0.213	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-26.1	-177.6	-65.9	-70.1	0	0	0	113.7	L59 L327 S329	L59-H91 PolarHBondContact N-O 3.24Å; L59-H91 VanDerWaalsContact N-O 3.09Å; H91-L327 HydrophobicContact CB-CB 4.11Å; H91-L327 PolarHBondContact N-O 3.28Å; H91-S329 PolarHBondContact CD2-OG 3.06Å; H91-S329 WeakPolarHBondContact NE2-CB 3.48Å; H91-S329 PolarHBondContact NE2-OG 3.15Å
92	G	38.5	Very low	34.7	Very low	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	176.3	-179.9	0	0	0	0	0	114	M57 L327	M57-G92 WeakPolarHBondContact O-CA 3.2Å; G92-L327 PolarHBondContact O-N 3.16Å
93	F	46.4	Very low	34.5	Very low	3 Å²	3	63.4 Å²	63.4	1%	0.013	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141	-176.3	-53.1	-70.9	0	0	0	111.1	I55 Y56 M57 L59 F95 L227 L255 F325 V326	I55-F93 VanDerWaalsContact O-O 3.13Å; Y56-F93 CarbonylContact C-O 3.56Å; Y56-F93 VanDerWaalsContact CA-O 3.27Å; Y56-F93 WeakPolarHBondContact CA-O 3.24Å; M57-F93 HydrophobicContact CB-CB 4.44Å; M57-F93 HydrophobicContact CB-CD2 4.31Å; M57-F93 HydrophobicContact CE-CD2 3.34Å; M57-F93 HydrophobicContact CE-CE2 3.81Å; M57-F93 HydrophobicContact CE-CG 4.33Å; M57-F93 PolarHBondContact N-O 2.73Å; M57-F93 PolarHBondContact O-N 3.12Å; M57-F93 VanDerWaalsContact O-N 3.15Å; L59-F93 HydrophobicContact CD1-CE2 3.82Å; L59-F93 HydrophobicContact CD1-CZ 3.93Å; L59-F93 HydrophobicContact CD2-CE2 3.96Å; L59-F93 HydrophobicContact CG-CE2 3.91Å; F93-F95 HydrophobicContact CB-CE2 3.82Å; F93-F95 HydrophobicContact CB-CZ 3.95Å; F93-F95 HydrophobicContact CG-CZ 4.49Å; F93-L227 HydrophobicContact CD1-CD1 3.63Å; F93-L227 HydrophobicContact CD1-CD2 4.42Å; F93-L227 HydrophobicContact CE1-CD1 2.99Å; F93-L227 HydrophobicContact CE1-CG 4.34Å; F93-L227 HydrophobicContact CZ-CD1 3.59Å; F93-L255 HydrophobicContact CE1-CD1 4.16Å; F93-L255 HydrophobicContact CE2-CD1 4.31Å; F93-L255 HydrophobicContact CZ-CD1 3.46Å; F93-L255 VanDerWaalsContact CZ-CD1 3.46Å; F93-F325 WeakPolarHBondContact CA-O 3.46Å; F93-V326 HydrophobicContact CD1-CG1 4.5Å; F93-V326 HydrophobicContact CD1-CG2 3.75Å; F93-V326 HydrophobicContact CE1-CG1 4.08Å; F93-V326 HydrophobicContact CE1-CG2 3.75Å
94	I	44.3	Very low	34.3	Very low	14 Å²	14	64.7 Å²	64.7	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.1	173.1	-70.7	166	0	0	0	107.8	V54 I55 Y56 L212 G324 F325 L327	V54-I94 HydrophobicContact CB-CG2 4.15Å; V54-I94 HydrophobicContact CG1-CB 3.99Å; V54-I94 HydrophobicContact CG1-CG1 3.89Å; V54-I94 HydrophobicContact CG1-CG2 3.3Å; V54-I94 HydrophobicContact CG2-CG2 3.83Å; I55-I94 VanDerWaalsContact O-CA 3.31Å; I55-I94 WeakPolarHBondContact O-CA 3.46Å; Y56-I94 HydrophobicContact CD2-CG1 4.13Å; I94-L212 HydrophobicContact CD1-CD1 4.2Å; I94-G324 CarbonylContact O-C 3.53Å; I94-G324 WeakPolarHBondContact O-CA 3.23Å; I94-F325 HydrophobicContact CB-CB 4.24Å; I94-F325 HydrophobicContact CG2-CD2 4.27Å; I94-F325 PolarHBondContact N-O 2.73Å; I94-F325 PolarHBondContact O-N 3.2Å; I94-L327 HydrophobicContact CD1-CD1 4.01Å
95	F	43.4	Very low	34.5	Very low	16 Å²	16	67.8 Å²	67.8	7%	0.07	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.2	169.4	-58.3	-69.1	0	0	0	109.9	V54 I55 F93 N97 A217 L225	V54-F95 CarbonylContact C-O 3.59Å; V54-F95 WeakPolarHBondContact CA-O 3.19Å; I55-F95 HydrophobicContact CB-CB 4.27Å; I55-F95 PolarHBondContact N-O 2.73Å; I55-F95 PolarHBondContact O-N 3.23Å; F93-F95 HydrophobicContact CB-CE2 3.82Å; F93-F95 HydrophobicContact CB-CZ 3.95Å; F93-F95 HydrophobicContact CG-CZ 4.49Å; F95-N97 PolarHBondContact O-N 2.97Å; F95-A217 HydrophobicContact CD1-CB 4.45Å; F95-A217 HydrophobicContact CE1-CB 3.39Å; F95-A217 HydrophobicContact CZ-CB 3.93Å; F95-L225 HydrophobicContact CZ-CD1 4.46Å; F95-L225 HydrophobicContact CZ-CD2 4.07Å
96	P	36.5	Very low	34.3	Very low	31 Å²	31	69.8 Å²	69.8	20%	0.201	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123	162.7	28.6	-30.1	0	0	0	108.9	N52 D53 S98 P323	N52-P96 HydrophobicContact CB-CB 3.97Å; D53-P96 CarbonylContact O-C 3.51Å; D53-P96 WeakPolarHBondContact O-CA 3.27Å; P96-S98 PolarHBondContact O-N 3.02Å; P96-P323 WeakPolarHBondContact CD-O 3.47Å
97	N	35	Very low	34.1	Very low	46 Å²	46	75.7 Å²	75.7	25%	0.246	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	112.1	160.8	-79.3	-26.9	0	0	0	106.2	D53 I55 F95	D53-N97 HydrophobicContact CB-CB 3.87Å; D53-N97 WeakPolarHBondContact CB-ND2 3.3Å; D53-N97 PolarHBondContact O-N 2.83Å; I55-N97 WeakPolarHBondContact CD1-OD1 3.26Å; F95-N97 PolarHBondContact O-N 2.97Å
98	S	32.3	Very low	33.6	Very low	56 Å²	56	77.3 Å²	77.3	39%	0.392	44%	0.438	S	S	.	.			trans	-97.1	103.6	157.6	60.3	0	0	0	0	107.7	P96 V100 R322	P96-S98 PolarHBondContact O-N 3.02Å; S98-V100 PolarHBondContact O-N 3.27Å; S98-V100 WeakPolarHBondContact OG-CG2 3.48Å; S98-R322 PolarHBondContact OG-NH1 3.25Å
99	E	30.7	Very low	33.1	Very low	175 Å²	175	85 Å²	85	82%	0.818	47%	0.474	S	S	*	.			trans	-60.4	83.9	152.8	-72	-170.7	165.2	0	0	107.1	G101	E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 2.97Å; E99-G101 VanDerWaalsContact O-N 3.14Å
100	V	32.2	Very low	32.4	Very low	104 Å²	104	87.2 Å²	87.2	63%	0.63	49%	0.485	S	S	*	.			trans	-83.9	87.5	171.2	-174.9	0	0	0	0	106.8	S98 S102	S98-V100 PolarHBondContact O-N 3.27Å; S98-V100 WeakPolarHBondContact OG-CG2 3.48Å; V100-S102 PolarHBondContact O-N 3.06Å; V100-S102 VanDerWaalsContact O-N 3.15Å
101	G	27.9	Very low	31.6	Very low	66 Å²	66	92.6 Å²	92.6	68%	0.68	51%	0.513	S	S	*	.			trans	-59.7	107.8	151.9	0	0	0	0	0	108.4	E99	E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 2.97Å; E99-G101 VanDerWaalsContact O-N 3.14Å
102	S	26	Very low	30.7	Very low	94 Å²	94	97.8 Å²	97.8	66%	0.657	54%	0.54	S	S	*	.	S	Bend	trans	7.9	120	160.5	54.1	0	0	0	0	119.4	V100	V100-S102 PolarHBondContact O-N 3.06Å; V100-S102 VanDerWaalsContact O-N 3.15Å
103	N	25.3	Very low	29.9	Very low	150 Å²	150	103.2 Å²	103.2	80%	0.802	58%	0.576	S	S	*	*			trans	68.3	63.7	145.8	-55.5	-30.4	0	0	0	119.8
104	D	25	Very low	28.6	Very low	142 Å²	142	108.4 Å²	108.4	76%	0.759	61%	0.612	S	S	*	*			trans	-120.9	109.8	156.5	-97.9	-35.7	0	0	0	112.1	E106	D104-E106 PolarHBondContact O-N 2.88Å
105	P	32.5	Very low	27.6	Very low	112 Å²	112	116.9 Å²	116.9	73%	0.727	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	9.6	174.9	29.2	-31.1	0	0	0	114.1
106	E	26.3	Very low	26.5	Very low	171 Å²	171	124.8 Å²	124.8	80%	0.799	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	16.7	-179.1	-68.4	-163.8	162.4	0	0	115.1	D104 N108	D104-E106 PolarHBondContact O-N 2.88Å; E106-N108 PolarHBondContact O-N 2.67Å; E106-N108 VanDerWaalsContact O-N 3.09Å
107	L	28.4	Very low	25.8	Very low	144 Å²	144	130 Å²	130	75%	0.754	71%	0.714	S	S	*	*			trans	-77	16.8	168.3	-138.1	111.9	0	0	0	113.8	I110	L107-I110 HydrophobicContact CD2-CD1 4.47Å; L107-I110 HydrophobicContact CG-CD1 4.42Å
108	N	24.7	Very low	25.2	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	75%	0.747	S	S	*	*	S	Bend	trans	-91.7	112.4	164.3	-74.1	-37.8	0	0	0	107.9	E106	E106-N108 PolarHBondContact O-N 2.67Å; E106-N108 VanDerWaalsContact O-N 3.09Å
109	Q	22.8	Very low	24.8	Very low	169 Å²	169	142 Å²	142	79%	0.79	77%	0.765	S	S	*	*			trans	92.2	63.8	175.4	-51.1	176.9	28.2	0	0	116.3	N111	Q109-N111 PolarHBondContact O-N 3.31Å
110	I	23.3	Very low	24.4	Very low	136 Å²	136	140 Å²	140	70%	0.697	76%	0.761	S	S	*	*			trans	-71.8	86.4	153.6	-57.6	174	0	0	0	107.5	L107	L107-I110 HydrophobicContact CD2-CD1 4.47Å; L107-I110 HydrophobicContact CG-CD1 4.42Å
111	N	20.2	Very low	23.9	Very low	132 Å²	132	142 Å²	142	71%	0.706	77%	0.768	S	S	*	*			trans	-74.4	119.7	162.2	-98.9	-39.2	0	0	0	108.2	Q109 P113	Q109-N111 PolarHBondContact O-N 3.31Å; N111-P113 WeakPolarHBondContact O-CD 3.37Å
112	I	22.9	Very low	23.7	Very low	155 Å²	155	145.8 Å²	145.8	80%	0.795	78%	0.778	S	S	*	*			trans	-60.8	115.7	-179.7	-60.6	164.7	0	0	0	108.9	S114	I112-S114 PolarHBondContact O-N 3.34Å
113	P	21.7	Very low	23.5	Very low	114 Å²	114	145.9 Å²	145.9	74%	0.74	78%	0.778	S	S	*	*			trans	-76.6	123.8	-178.4	-8.2	24.3	0	0	0	110.6	N111 M115	N111-P113 WeakPolarHBondContact O-CD 3.37Å; P113-M115 PolarHBondContact O-N 3.18Å
114	S	20.1	Very low	23.4	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	78%	0.779	S	S	*	*			trans	-63.7	108.8	171.2	175.6	0	0	0	0	110.4	I112 K116	I112-S114 PolarHBondContact O-N 3.34Å; S114-K116 PolarHBondContact O-N 2.74Å; S114-K116 VanDerWaalsContact O-N 3.13Å
115	M	22.7	Very low	23.2	Very low	192 Å²	192	148.7 Å²	148.7	95%	0.946	78%	0.779	S	S	*	*			trans	-69.9	102.4	172.7	-81.6	-157	171	0	0	110.6	P113	P113-M115 PolarHBondContact O-N 3.18Å
116	K	19.5	Very low	22.7	Very low	181 Å²	181	151 Å²	151	79%	0.787	78%	0.784	S	S	*	*			trans	-123.9	111.3	155.1	-93.1	-176.8	175.6	177.6	0	109.3	S114	S114-K116 PolarHBondContact O-N 2.74Å; S114-K116 VanDerWaalsContact O-N 3.13Å
117	N	22.5	Very low	22.5	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	78%	0.782	S	S	*	*			trans	50.2	109.5	148.4	-59.2	-16	0	0	0	118
118	H	23.3	Very low	22.3	Very low	199 Å²	199	146.3 Å²	146.3	92%	0.921	78%	0.779	S	S	*	*			trans	-159.8	93.2	130.6	-98.4	-66.7	0	0	0	109.7
119	I	23.2	Very low	22.2	Very low	154 Å²	154	149.1 Å²	149.1	79%	0.79	79%	0.788	S	S	*	*			trans	-73.7	125.6	155.1	-63.7	165.9	0	0	0	105.4
120	N	21.4	Very low	22.4	Very low	134 Å²	134	145.7 Å²	145.7	72%	0.717	78%	0.783	S	S	*	*			trans	177	127.6	137.5	-86.9	-9.1	0	0	0	111.4
121	D	22.3	Very low	22.7	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	79%	0.794	S	S	*	*			trans	53.7	118.8	146.7	-58.6	-33.3	0	0	0	119.7
122	V	24.3	Very low	23.2	Very low	147 Å²	147	143.7 Å²	143.7	89%	0.891	79%	0.791	S	S	*	*				-171.7	116	113.8	168.3	0	0	0	0	109.1
123	S	21.2	Very low	23.5	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	79%	0.793	S	S	*	*			trans	-81.1	143.5	161.3	-54.1	0	0	0	0	109.8
124	Y	23.7	Very low	24.1	Very low	207 Å²	207	142.9 Å²	142.9	81%	0.812	79%	0.785	S	S	*	*				167.2	131.5	121.5	-93.6	-70.1	0	0	0	114.9
125	N	20.8	Very low	24.7	Very low	143 Å²	143	142.2 Å²	142.2	77%	0.765	77%	0.773	S	S	*	*			trans	84.6	123	141.5	-70.7	-23.6	0	0	0	123.4
126	I	21.7	Very low	25.4	Very low	162 Å²	162	137.7 Å²	137.7	83%	0.831	76%	0.756	S	S	*	*			trans	-98.4	137.1	-178.5	-63.5	159.8	0	0	0	109.6
127	P	22.8	Very low	26.2	Very low	117 Å²	117	134.1 Å²	134.1	76%	0.76	75%	0.745	S	S	*	*			trans	-120	123	148.4	23.9	-6.3	0	0	0	112.6
128	S	22.9	Very low	26.8	Very low	99 Å²	99	129.9 Å²	129.9	69%	0.692	73%	0.73	S	S	*	*			trans	13	110.9	160.1	60.1	0	0	0	0	122.5
129	Q	24	Very low	27.3	Very low	196 Å²	196	122.1 Å²	122.1	92%	0.916	69%	0.694	S	S	*	*				56.3	89	115.7	-61.5	-178.9	12.9	0	0	119.7
130	S	26.5	Very low	27.9	Very low	98 Å²	98	118.7 Å²	118.7	69%	0.685	67%	0.674	S	S	*	*			trans	-122.4	126.7	132.3	67.1	0	0	0	0	107.6	S132	S130-S132 VanDerWaalsContact C-N 3.34Å; S130-S132 PolarHBondContact O-N 2.89Å
131	S	28.8	Very low	28.6	Very low	133 Å²	133	118 Å²	118	93%	0.93	67%	0.666	S	S	*	*	S	Bend	trans	-77.3	79.5	-170.3	53.3	0	0	0	0	111
132	S	31.9	Very low	29.2	Very low	93 Å²	93	115.9 Å²	115.9	65%	0.65	65%	0.654	S	S	*	*			trans	-144.9	17	167.2	65.7	0	0	0	0	112.9	S130 V134	S130-S132 VanDerWaalsContact C-N 3.34Å; S130-S132 PolarHBondContact O-N 2.89Å; S132-V134 VanDerWaalsContact C-N 3.28Å; S132-V134 PolarHBondContact O-N 2.95Å; S132-V134 VanDerWaalsContact O-N 3.07Å
133	N	29.1	Very low	29.8	Very low	157 Å²	157	111.3 Å²	111.3	84%	0.84	62%	0.623	S	S	*	*			trans	-85.2	69.7	176.3	-90	-13.6	0	0	0	110.6	D135	N133-D135 PolarHBondContact O-N 2.98Å
134	V	33.5	Very low	30.7	Very low	95 Å²	95	109.5 Å²	109.5	58%	0.576	61%	0.605	S	S	*	*			trans	-70	120.4	142.4	-177	0	0	0	0	104.1	S132 T136	S132-V134 VanDerWaalsContact C-N 3.28Å; S132-V134 PolarHBondContact O-N 2.95Å; S132-V134 VanDerWaalsContact O-N 3.07Å; V134-T136 PolarHBondContact O-N 3.36Å
135	D	33.9	Very low	31.4	Very low	98 Å²	98	103 Å²	103	52%	0.524	59%	0.585	S	S	.	*			trans	-54.3	111.4	-178.7	-174.8	-1.9	0	0	0	108.5	N133 N137 A138 Q139	N133-D135 PolarHBondContact O-N 2.98Å; D135-N137 CarbonylContact O-C 3.58Å; D135-N137 PolarHBondContact O-N 3.48Å; D135-N137 PolarHBondContact OD1-N 3.35Å; D135-A138 HydrophobicContact CB-CB 4.05Å; D135-A138 WeakPolarHBondContact O-CA 3.36Å; D135-A138 WeakPolarHBondContact O-CB 3.37Å; D135-A138 PolarHBondContact O-N 2.75Å; D135-Q139 PolarHBondContact O-N 2.59Å; D135-Q139 VanDerWaalsContact O-N 3.1Å
136	T	36.2	Very low	32.1	Very low	96 Å²	96	100.7 Å²	100.7	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-52	-27.9	-178.7	52.4	0	0	0	0	111.9	V134 K140	V134-T136 PolarHBondContact O-N 3.36Å; T136-K140 WeakPolarHBondContact O-CB 3.12Å; T136-K140 VanDerWaalsContact O-CG 3.31Å; T136-K140 WeakPolarHBondContact O-CG 3.09Å; T136-K140 PolarHBondContact O-N 3.01Å
137	N	36.2	Very low	33	Very low	106 Å²	106	95.2 Å²	95.2	57%	0.567	54%	0.544	S	S	*	.	H	α-helix	trans	-68.7	-42.5	171.4	-88.9	-40.4	0	0	0	113.2	D135 Q139 K140 H141	D135-N137 CarbonylContact O-C 3.58Å; D135-N137 PolarHBondContact O-N 3.48Å; D135-N137 PolarHBondContact OD1-N 3.35Å; N137-Q139 VanDerWaalsContact C-N 3.26Å; N137-Q139 PolarHBondContact O-N 3.05Å; N137-K140 PolarHBondContact O-N 3.39Å; N137-H141 VanDerWaalsContact O-CB 3.23Å; N137-H141 WeakPolarHBondContact O-CB 3.28Å; N137-H141 PolarHBondContact O-N 3.17Å
138	A	34.8	Very low	33.7	Very low	53 Å²	53	94.5 Å²	94.5	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-36.6	176.3	0	0	0	0	0	111.3	D135 H141 L142	D135-A138 HydrophobicContact CB-CB 4.05Å; D135-A138 WeakPolarHBondContact O-CA 3.36Å; D135-A138 WeakPolarHBondContact O-CB 3.37Å; D135-A138 PolarHBondContact O-N 2.75Å; A138-H141 PolarHBondContact O-N 3.21Å; A138-L142 WeakPolarHBondContact O-CB 3.41Å; A138-L142 PolarHBondContact O-N 2.84Å
139	Q	34.4	Very low	34.4	Very low	35 Å²	35	95 Å²	95	16%	0.164	52%	0.52	C	S	.	.	H	α-helix	trans	-72.6	-40.9	178.2	-165.3	159.9	-6.1	0	0	112.9	D135 N137 H141 L142 Q143 D304	D135-Q139 PolarHBondContact O-N 2.59Å; D135-Q139 VanDerWaalsContact O-N 3.1Å; N137-Q139 VanDerWaalsContact C-N 3.26Å; N137-Q139 PolarHBondContact O-N 3.05Å; Q139-H141 VanDerWaalsContact C-N 3.33Å; Q139-L142 WeakPolarHBondContact O-CB 3.34Å; Q139-L142 PolarHBondContact O-N 3.16Å; Q139-Q143 WeakPolarHBondContact O-CG 3.19Å; Q139-Q143 PolarHBondContact O-N 3.14Å; Q139-D304 PolarHBondContact NE2-OD1 3.37Å; Q139-D304 VanDerWaalsContact NE2-OD1 3.13Å; Q139-D304 PolarHBondContact NE2-OD2 3.47Å; Q139-D304 PolarHBondContact OE1-OD2 3.32Å; Q139-D304 VanDerWaalsContact OE1-OD2 3.07Å
140	K	36.3	Very low	35.2	Very low	82 Å²	82	90.9 Å²	90.9	36%	0.357	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-41.2	169.6	-75.6	-179.1	178	-164.6	0	111.9	T136 N137 L142 Q143 L144	T136-K140 WeakPolarHBondContact O-CB 3.12Å; T136-K140 VanDerWaalsContact O-CG 3.31Å; T136-K140 WeakPolarHBondContact O-CG 3.09Å; T136-K140 PolarHBondContact O-N 3.01Å; N137-K140 PolarHBondContact O-N 3.39Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 2.98Å; K140-Q143 PolarHBondContact O-N 3.07Å; K140-L144 PolarHBondContact O-N 2.66Å
141	H	35.9	Very low	35.8	Very low	120 Å²	120	88.8 Å²	88.8	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-62.5	-40.8	176	-163.4	75	0	0	0	111.3	N137 A138 Q139 L144 L145	N137-H141 VanDerWaalsContact O-CB 3.23Å; N137-H141 WeakPolarHBondContact O-CB 3.28Å; N137-H141 PolarHBondContact O-N 3.17Å; A138-H141 PolarHBondContact O-N 3.21Å; Q139-H141 VanDerWaalsContact C-N 3.33Å; H141-L144 PolarHBondContact O-N 2.74Å; H141-L145 VanDerWaalsContact CD2-CD1 3.46Å; H141-L145 WeakPolarHBondContact CD2-CD1 3.45Å; H141-L145 WeakPolarHBondContact O-CB 3.46Å; H141-L145 VanDerWaalsContact O-CG 3.31Å; H141-L145 WeakPolarHBondContact O-CG 3.27Å; H141-L145 PolarHBondContact O-N 3.21Å
142	L	34	Very low	36.2	Very low	101 Å²	101	86.2 Å²	86.2	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-42.5	174.6	-177	66.4	0	0	0	112.2	A138 Q139 K140 L145 L146	A138-L142 WeakPolarHBondContact O-CB 3.41Å; A138-L142 PolarHBondContact O-N 2.84Å; Q139-L142 WeakPolarHBondContact O-CB 3.34Å; Q139-L142 PolarHBondContact O-N 3.16Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 2.98Å; L142-L145 PolarHBondContact O-N 2.84Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3Å
143	Q	38.2	Very low	36.3	Very low	51 Å²	51	86.3 Å²	86.3	24%	0.238	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-42.5	177.7	-73	169.1	-0.4	0	0	112.3	Q139 K140 L146 L147 G301	Q139-Q143 WeakPolarHBondContact O-CG 3.19Å; Q139-Q143 PolarHBondContact O-N 3.14Å; K140-Q143 PolarHBondContact O-N 3.07Å; Q143-L146 WeakPolarHBondContact O-CB 3.45Å; Q143-L146 PolarHBondContact O-N 3.05Å; Q143-L147 PolarHBondContact O-N 2.8Å; Q143-G301 PolarHBondContact NE2-O 3.44Å; Q143-G301 PolarHBondContact OE1-O 3.26Å
144	L	38.2	Very low	36.8	Very low	57 Å²	57	83.1 Å²	83.1	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-43.4	174.2	-82.8	158.3	0	0	0	111.6	L48 K140 H141 L146 L147 Q148	L48-L144 HydrophobicContact CB-CD2 4.02Å; L48-L144 HydrophobicContact CD1-CD2 4.15Å; K140-L144 PolarHBondContact O-N 2.66Å; H141-L144 PolarHBondContact O-N 2.74Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.2Å; L144-L147 PolarHBondContact O-N 3.36Å; L144-Q148 VanDerWaalsContact O-CB 3.29Å; L144-Q148 WeakPolarHBondContact O-CB 3.45Å; L144-Q148 PolarHBondContact O-N 2.83Å
145	L	38.5	Very low	36.9	Very low	71 Å²	71	82.9 Å²	82.9	37%	0.372	43%	0.425	S	S	.	.	H	α-helix	trans	-62.9	-38.6	174.6	-77.2	168.7	0	0	0	112	H141 L142 K149	H141-L145 VanDerWaalsContact CD2-CD1 3.46Å; H141-L145 WeakPolarHBondContact CD2-CD1 3.45Å; H141-L145 WeakPolarHBondContact O-CB 3.46Å; H141-L145 VanDerWaalsContact O-CG 3.31Å; H141-L145 WeakPolarHBondContact O-CG 3.27Å; H141-L145 PolarHBondContact O-N 3.21Å; L142-L145 PolarHBondContact O-N 2.84Å; L145-K149 VanDerWaalsContact O-CB 3.23Å; L145-K149 WeakPolarHBondContact O-CB 3.36Å; L145-K149 VanDerWaalsContact O-CG 3.23Å; L145-K149 WeakPolarHBondContact O-CG 3.33Å; L145-K149 PolarHBondContact O-N 3.12Å
146	L	36.5	Very low	37	Very low	95 Å²	95	80.1 Å²	80.1	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-46.3	174.9	-81.4	162.5	0	0	0	111.4	L142 Q143 L144 K149 L150	L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3Å; Q143-L146 WeakPolarHBondContact O-CB 3.45Å; Q143-L146 PolarHBondContact O-N 3.05Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.2Å; L146-K149 PolarHBondContact O-N 3.21Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.33Å; L146-L150 PolarHBondContact O-N 3.15Å
147	L	41.1	Very low	37	Very low	46 Å²	46	82.5 Å²	82.5	24%	0.241	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-46.6	177.4	-175.7	66.1	0	0	0	111	Q143 L144 K149 L150 I151	Q143-L147 PolarHBondContact O-N 2.8Å; L144-L147 PolarHBondContact O-N 3.36Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.11Å; L147-L150 PolarHBondContact O-N 2.8Å; L147-I151 HydrophobicContact CD1-CD1 4.42Å; L147-I151 HydrophobicContact CG-CD1 4.04Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.44Å; L147-I151 PolarHBondContact O-N 2.77Å
148	Q	37.7	Very low	37.2	Very low	103 Å²	103	82.2 Å²	82.2	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-42.3	176.2	-175.1	176.1	-5.4	0	0	111.1	L144 I151 E152	L144-Q148 VanDerWaalsContact O-CB 3.29Å; L144-Q148 WeakPolarHBondContact O-CB 3.45Å; L144-Q148 PolarHBondContact O-N 2.83Å; Q148-I151 PolarHBondContact O-N 3.5Å; Q148-E152 WeakPolarHBondContact O-CB 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.09Å
149	K	37.8	Very low	37.1	Very low	110 Å²	110	87.8 Å²	87.8	48%	0.478	43%	0.427	S	S	.	.	H	α-helix	trans	-70.1	-34.9	177.1	-75.7	-70.1	171.6	-160.5	0	113.1	L145 L146 L147 I151 E152 L153	L145-K149 VanDerWaalsContact O-CB 3.23Å; L145-K149 WeakPolarHBondContact O-CB 3.36Å; L145-K149 VanDerWaalsContact O-CG 3.23Å; L145-K149 WeakPolarHBondContact O-CG 3.33Å; L145-K149 PolarHBondContact O-N 3.12Å; L146-K149 PolarHBondContact O-N 3.21Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.11Å; K149-I151 VanDerWaalsContact C-N 3.33Å; K149-E152 WeakPolarHBondContact CD-OE2 3.49Å; K149-E152 WeakPolarHBondContact CE-OE2 3.41Å; K149-E152 IonicContact NZ-OE2 2.84Å; K149-E152 PolarHBondContact NZ-OE2 3.06Å; K149-E152 PolarHBondContact O-N 3.43Å; K149-L153 VanDerWaalsContact O-CB 3.23Å; K149-L153 WeakPolarHBondContact O-CB 3.46Å; K149-L153 WeakPolarHBondContact O-CD1 3.32Å; K149-L153 WeakPolarHBondContact O-CG 3.38Å; K149-L153 PolarHBondContact O-N 2.74Å
150	L	39.5	Very low	37	Very low	109 Å²	109	90.8 Å²	90.8	57%	0.571	44%	0.444	S	S	*	.	H	α-helix	trans	-63	-42.9	172.2	-79.3	165.7	0	0	0	111	L146 L147 L153 Q154	L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.33Å; L146-L150 PolarHBondContact O-N 3.15Å; L147-L150 PolarHBondContact O-N 2.8Å; L150-L153 PolarHBondContact O-N 2.79Å; L150-Q154 WeakPolarHBondContact O-CB 3.31Å; L150-Q154 PolarHBondContact O-N 2.74Å
151	I	39.2	Very low	37.1	Very low	54 Å²	54	90.5 Å²	90.5	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-48.6	175.2	-65.9	165	0	0	0	110.2	L147 Q148 K149 L153 Q154 L155	L147-I151 HydrophobicContact CD1-CD1 4.42Å; L147-I151 HydrophobicContact CG-CD1 4.04Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.44Å; L147-I151 PolarHBondContact O-N 2.77Å; Q148-I151 PolarHBondContact O-N 3.5Å; K149-I151 VanDerWaalsContact C-N 3.33Å; I151-L153 VanDerWaalsContact C-N 3.32Å; I151-L153 PolarHBondContact O-N 3.26Å; I151-Q154 PolarHBondContact O-N 3.46Å; I151-L155 HydrophobicContact CG2-CD1 4.1Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.06Å
152	E	37.6	Very low	37.1	Very low	78 Å²	78	87.1 Å²	87.1	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-59.6	-39.7	176.1	-78.4	178.6	-166.7	0	0	112.5	Q148 K149 L155 A156	Q148-E152 WeakPolarHBondContact O-CB 3.37Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.09Å; K149-E152 WeakPolarHBondContact CD-OE2 3.49Å; K149-E152 WeakPolarHBondContact CE-OE2 3.41Å; K149-E152 IonicContact NZ-OE2 2.84Å; K149-E152 PolarHBondContact NZ-OE2 3.06Å; K149-E152 PolarHBondContact O-N 3.43Å; E152-L155 PolarHBondContact O-N 3.46Å; E152-A156 VanDerWaalsContact O-CB 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.12Å; E152-A156 PolarHBondContact O-N 3.17Å
153	L	33.9	Very low	37	Very low	96 Å²	96	88.1 Å²	88.1	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-68.7	-41.5	178.7	-78.6	167.9	0	0	0	111.8	K149 L150 I151 L155 A156 E157	K149-L153 VanDerWaalsContact O-CB 3.23Å; K149-L153 WeakPolarHBondContact O-CB 3.46Å; K149-L153 WeakPolarHBondContact O-CD1 3.32Å; K149-L153 WeakPolarHBondContact O-CG 3.38Å; K149-L153 PolarHBondContact O-N 2.74Å; L150-L153 PolarHBondContact O-N 2.79Å; I151-L153 VanDerWaalsContact C-N 3.32Å; I151-L153 PolarHBondContact O-N 3.26Å; L153-L155 VanDerWaalsContact C-N 3.28Å; L153-L155 PolarHBondContact O-N 2.84Å; L153-A156 PolarHBondContact O-N 2.85Å; L153-E157 WeakPolarHBondContact O-CB 3.2Å; L153-E157 PolarHBondContact O-N 2.98Å
154	Q	38.6	Very low	37	Very low	90 Å²	90	91.4 Å²	91.4	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-40.1	176	-165.4	167.7	-5.2	0	0	110.5	L150 I151 H158	L150-Q154 WeakPolarHBondContact O-CB 3.31Å; L150-Q154 PolarHBondContact O-N 2.74Å; I151-Q154 PolarHBondContact O-N 3.46Å; Q154-H158 PolarHBondContact O-CD2 3.13Å; Q154-H158 PolarHBondContact O-N 2.75Å
155	L	36.5	Very low	37.1	Very low	89 Å²	89	93.6 Å²	93.6	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-66	-40	172.4	-66.3	170.8	0	0	0	112.4	I151 E152 L153 H158 Y159	I151-L155 HydrophobicContact CG2-CD1 4.1Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.06Å; E152-L155 PolarHBondContact O-N 3.46Å; L153-L155 VanDerWaalsContact C-N 3.28Å; L153-L155 PolarHBondContact O-N 2.84Å; L155-H158 PolarHBondContact O-N 3.07Å; L155-Y159 PolarHBondContact O-N 2.95Å; L155-Y159 VanDerWaalsContact O-N 3.1Å
156	A	35.2	Very low	36.7	Very low	40 Å²	40	94.5 Å²	94.5	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-72.1	-35.1	-179.2	0	0	0	0	0	113.6	E152 L153 H158 Y159 N160	E152-A156 VanDerWaalsContact O-CB 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.12Å; E152-A156 PolarHBondContact O-N 3.17Å; L153-A156 PolarHBondContact O-N 2.85Å; A156-H158 VanDerWaalsContact C-N 3.31Å; A156-Y159 CarbonylContact O-C 3.58Å; A156-Y159 WeakPolarHBondContact O-CA 3.39Å; A156-Y159 WeakPolarHBondContact O-CB 3.39Å; A156-Y159 PolarHBondContact O-N 3.07Å; A156-Y159 VanDerWaalsContact O-N 3.1Å; A156-N160 PolarHBondContact O-N 3.36Å; A156-N160 PolarHBondContact O-ND2 3.09Å
157	E	36.7	Very low	36.6	Very low	146 Å²	146	95.4 Å²	95.4	68%	0.682	48%	0.482	S	S	*	.	H	α-helix	trans	-64.4	-39.1	175.2	-166.1	173.1	-162.7	0	0	110.8	L153 Y159 N160 S161	L153-E157 WeakPolarHBondContact O-CB 3.2Å; L153-E157 PolarHBondContact O-N 2.98Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 3.45Å; E157-N160 PolarHBondContact O-N 2.93Å; E157-S161 PolarHBondContact O-N 2.96Å
158	H	39.8	Very low	36.3	Very low	101 Å²	101	98.6 Å²	98.6	47%	0.468	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-36.7	170	-79.8	-64.7	0	0	0	112.3	Q154 L155 A156 L162	Q154-H158 PolarHBondContact O-CD2 3.13Å; Q154-H158 PolarHBondContact O-N 2.75Å; L155-H158 PolarHBondContact O-N 3.07Å; A156-H158 VanDerWaalsContact C-N 3.31Å; H158-L162 PolarHBondContact O-N 3.29Å
159	Y	32.8	Very low	36.1	Very low	170 Å²	170	99 Å²	99	67%	0.667	52%	0.518	S	S	*	.	H	α-helix	trans	-70.1	-37.1	176.6	-134.6	-85.2	0	0	0	113.2	L155 A156 E157 L162 K163	L155-Y159 PolarHBondContact O-N 2.95Å; L155-Y159 VanDerWaalsContact O-N 3.1Å; A156-Y159 CarbonylContact O-C 3.58Å; A156-Y159 WeakPolarHBondContact O-CA 3.39Å; A156-Y159 WeakPolarHBondContact O-CB 3.39Å; A156-Y159 PolarHBondContact O-N 3.07Å; A156-Y159 VanDerWaalsContact O-N 3.1Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 3.45Å; Y159-L162 CarbonylContact O-C 3.55Å; Y159-L162 VanDerWaalsContact O-CB 3.3Å; Y159-L162 WeakPolarHBondContact O-CB 3.5Å; Y159-L162 PolarHBondContact O-N 2.76Å; Y159-K163 PolarHBondContact O-N 3.01Å
160	N	33.4	Very low	35.6	Very low	98 Å²	98	102.2 Å²	102.2	52%	0.524	53%	0.534	S	S	.	.	H	α-helix	trans	-71	-37.7	176.1	-72.5	-32.6	0	0	0	111.7	A156 E157 L162 K163 D164	A156-N160 PolarHBondContact O-N 3.36Å; A156-N160 PolarHBondContact O-ND2 3.09Å; E157-N160 PolarHBondContact O-N 2.93Å; N160-L162 PolarHBondContact O-N 3.41Å; N160-K163 PolarHBondContact O-N 2.67Å; N160-K163 VanDerWaalsContact O-N 3.1Å; N160-D164 PolarHBondContact O-N 3.16Å
161	S	39	Very low	35.1	Very low	75 Å²	75	105 Å²	105	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-59.9	-35.1	169.1	-175.1	0	0	0	0	111.8	E157 T165	E157-S161 PolarHBondContact O-N 2.96Å; S161-T165 PolarHBondContact O-N 3.44Å; S161-T165 PolarHBondContact O-OG1 3.03Å
162	L	34.8	Very low	34.7	Very low	49 Å²	49	107 Å²	107	26%	0.257	57%	0.569	S	S	.	*	H	α-helix	trans	-69.6	-38.6	173	-104.9	145.1	0	0	0	112.2	H158 Y159 N160 T165 L166 N205	H158-L162 PolarHBondContact O-N 3.29Å; Y159-L162 CarbonylContact O-C 3.55Å; Y159-L162 VanDerWaalsContact O-CB 3.3Å; Y159-L162 WeakPolarHBondContact O-CB 3.5Å; Y159-L162 PolarHBondContact O-N 2.76Å; N160-L162 PolarHBondContact O-N 3.41Å; L162-T165 WeakPolarHBondContact O-CB 3.07Å; L162-T165 PolarHBondContact O-N 2.98Å; L162-L166 PolarHBondContact O-N 3.2Å; L162-L166 VanDerWaalsContact O-N 3.11Å; L162-N205 HydrophobicContact CD2-CB 3.77Å
163	K	32.1	Very low	34.2	Very low	122 Å²	122	110.3 Å²	110.3	53%	0.53	59%	0.589	S	S	.	*	H	α-helix	trans	-69.5	-39	-179.9	-141.3	178.9	-173.1	-177.9	0	112.6	Y159 N160 T165 L166 I167	Y159-K163 PolarHBondContact O-N 3.01Å; N160-K163 PolarHBondContact O-N 2.67Å; N160-K163 VanDerWaalsContact O-N 3.1Å; K163-T165 PolarHBondContact O-N 3.15Å; K163-L166 PolarHBondContact O-N 2.84Å; K163-I167 HydrophobicContact CG-CD1 4.36Å; K163-I167 WeakPolarHBondContact O-CG1 3.4Å; K163-I167 PolarHBondContact O-N 2.94Å
164	D	37.7	Very low	34	Very low	120 Å²	120	113.3 Å²	113.3	64%	0.642	61%	0.605	S	S	*	*	H	α-helix	trans	-64.3	-27.6	173.5	-74.7	-15.4	0	0	0	111.8	N160	N160-D164 PolarHBondContact O-N 3.16Å
165	T	40.1	Very low	33.5	Very low	103 Å²	103	118.4 Å²	118.4	63%	0.632	63%	0.629	S	S	*	*	H	α-helix	trans	-75.8	-30.5	173.7	-41.6	0	0	0	0	111.8	S161 L162 K163	S161-T165 PolarHBondContact O-N 3.44Å; S161-T165 PolarHBondContact O-OG1 3.03Å; L162-T165 WeakPolarHBondContact O-CB 3.07Å; L162-T165 PolarHBondContact O-N 2.98Å; K163-T165 PolarHBondContact O-N 3.15Å
166	L	31.4	Very low	33.1	Very low	90 Å²	90	119.7 Å²	119.7	47%	0.471	65%	0.646	S	S	.	*	H	α-helix	trans	-80.5	-35.4	179.7	-84.1	159.1	0	0	0	113.6	L162 K163 S168 T169	L162-L166 PolarHBondContact O-N 3.2Å; L162-L166 VanDerWaalsContact O-N 3.11Å; K163-L166 PolarHBondContact O-N 2.84Å; L166-S168 PolarHBondContact O-N 3.3Å; L166-T169 PolarHBondContact O-N 3.22Å; L166-T169 PolarHBondContact O-OG1 2.86Å; L166-T169 VanDerWaalsContact O-OG1 3.07Å
167	I	34	Very low	32.6	Very low	114 Å²	114	127 Å²	127	59%	0.585	67%	0.673	S	S	*	*	H	α-helix	trans	-68.3	-21.1	-176.2	-65	164.8	0	0	0	112.1	K163 T169	K163-I167 HydrophobicContact CG-CD1 4.36Å; K163-I167 WeakPolarHBondContact O-CG1 3.4Å; K163-I167 PolarHBondContact O-N 2.94Å; I167-T169 PolarHBondContact O-N 2.84Å
168	S	34.8	Very low	32.1	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	2.9	173.8	-93.9	0	0	0	0	115.1	L166	L166-S168 PolarHBondContact O-N 3.3Å
169	T	32.9	Very low	31.4	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	1.6	-177.4	-3.7	0	0	0	0	115.9	L166 I167	L166-T169 PolarHBondContact O-N 3.22Å; L166-T169 PolarHBondContact O-OG1 2.86Å; L166-T169 VanDerWaalsContact O-OG1 3.07Å; I167-T169 PolarHBondContact O-N 2.84Å
170	E	28.2	Very low	31	Very low	178 Å²	178	129.8 Å²	129.8	83%	0.832	70%	0.704	S	S	*	*			trans	-113.6	63.8	177.5	-75.9	-172.4	155.2	0	0	112.5	S172	E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 2.83Å
171	D	29.4	Very low	30.5	Very low	167 Å²	167	133.2 Å²	133.2	89%	0.893	72%	0.721	S	S	*	*			trans	-74.8	86.2	151.8	-89.3	-30.1	0	0	0	108.6
172	S	29.4	Very low	29.7	Very low	97 Å²	97	137 Å²	137	68%	0.678	74%	0.735	S	S	*	*			trans	178.2	113.2	144.7	56.5	0	0	0	0	113.2	E170	E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 2.83Å
173	N	28.2	Very low	29.1	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	76%	0.761	S	S	*	*			trans	38.7	102.2	137.9	-57.9	-26.3	0	0	0	119.1
174	N	28.8	Very low	28.6	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	77%	0.772	S	S	*	*				164.5	135.8	106	-84.5	-31.4	0	0	0	111.8	S176	N174-S176 PolarHBondContact O-N 2.91Å
175	E	27.4	Very low	27.8	Very low	197 Å²	197	143.4 Å²	143.4	92%	0.921	78%	0.781	S	S	*	*			trans	-50.5	126.5	171.2	-70	169.6	116.4	0	0	112.5
176	S	28.4	Very low	27	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	79%	0.787	S	S	*	*			trans	-164.5	129.8	133.5	50.4	0	0	0	0	111.1	N174 N178	N174-S176 PolarHBondContact O-N 2.91Å; S176-N178 PolarHBondContact O-N 2.98Å
177	Q	25.6	Very low	26.5	Very low	192 Å²	192	149.1 Å²	149.1	90%	0.897	80%	0.803	S	S	*	*			trans	-66.2	122.1	178.6	-62.3	173.1	-7.1	0	0	110.7
178	N	25.5	Very low	25.9	Very low	152 Å²	152	150.7 Å²	150.7	81%	0.813	81%	0.813	S	S	*	*			trans	-169.1	130.7	139.5	-108.2	-53.3	0	0	0	110.1	S176 K180	S176-N178 PolarHBondContact O-N 2.98Å; N178-K180 PolarHBondContact O-N 3.49Å; N178-K180 VanDerWaalsContact O-N 3.1Å
179	P	26	Very low	25.3	Very low	113 Å²	113	150.1 Å²	150.1	73%	0.734	81%	0.809	S	S	*	*			trans	-72.3	108.2	-179	29.6	-30.4	0	0	0	109	L181	P179-L181 PolarHBondContact O-N 2.82Å
180	K	24.1	Very low	24.8	Very low	212 Å²	212	151.9 Å²	151.9	92%	0.922	81%	0.814	S	S	*	*			trans	-61.8	104.2	172.7	-115.1	173.3	179.5	173.4	0	108.9	N178	N178-K180 PolarHBondContact O-N 3.49Å; N178-K180 VanDerWaalsContact O-N 3.1Å
181	L	22.3	Very low	24.6	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	82%	0.817	S	S	*	*			trans	-60.4	136.4	169.1	-77.8	157.4	0	0	0	109.9	P179	P179-L181 PolarHBondContact O-N 2.82Å
182	L	23.3	Very low	24.3	Very low	155 Å²	155	153 Å²	153	81%	0.812	82%	0.816	S	S	*	*			trans	-54.8	130.3	179.8	-71.5	149.7	0	0	0	111.8	C184	L182-C184 VanDerWaalsContact C-N 3.34Å; L182-C184 PolarHBondContact O-N 3.07Å
183	P	22.3	Very low	24.2	Very low	125 Å²	125	152.9 Å²	152.9	81%	0.812	82%	0.821	S	S	*	*			trans	-83.7	77.7	175.8	33.3	-30.5	0	0	0	110.4	F185	P183-F185 VanDerWaalsContact C-N 3.35Å; P183-F185 PolarHBondContact O-N 3.09Å
184	C	22	Very low	24	Very low	111 Å²	111	151.1 Å²	151.1	75%	0.75	82%	0.82	S	S	*	*			trans	-89.1	72.5	161.7	-73.8	0	0	0	0	109.3	L182	L182-C184 VanDerWaalsContact C-N 3.34Å; L182-C184 PolarHBondContact O-N 3.07Å
185	F	20.8	Very low	23.8	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.833	81%	0.814	S	S	*	*			trans	-141	96.8	164.9	-85.2	-79	0	0	0	109.4	P183 K187	P183-F185 VanDerWaalsContact C-N 3.35Å; P183-F185 PolarHBondContact O-N 3.09Å; F185-K187 VanDerWaalsContact C-N 3.31Å; F185-K187 PolarHBondContact O-N 3.34Å
186	V	22.3	Very low	23.8	Very low	128 Å²	128	146.6 Å²	146.6	78%	0.776	81%	0.811	S	S	*	*			trans	-62.4	98.9	157.3	179.8	0	0	0	0	105.6	N188	V186-N188 PolarHBondContact O-N 3.34Å
187	K	20	Very low	24.2	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	81%	0.805	S	S	*	*			trans	-66.9	106.6	172.9	-88.4	-176.7	174.5	-179.6	0	107.5	F185 S189	F185-K187 VanDerWaalsContact C-N 3.31Å; F185-K187 PolarHBondContact O-N 3.34Å; K187-S189 PolarHBondContact O-N 3.34Å
188	N	21.7	Very low	24.2	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	80%	0.797	S	S	*	*			trans	-63.5	84	157.6	-64.7	-21.1	0	0	0	107	V186 D190	V186-N188 PolarHBondContact O-N 3.34Å; N188-D190 VanDerWaalsContact C-N 3.33Å; N188-D190 PolarHBondContact O-N 3.11Å; N188-D190 VanDerWaalsContact O-N 3.11Å
189	S	23.6	Very low	24	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	80%	0.795	S	S	*	*			trans	-80.2	90.5	172.1	55.3	0	0	0	0	107.8	K187 F191	K187-S189 PolarHBondContact O-N 3.34Å; S189-F191 PolarHBondContact O-N 3.04Å
190	D	22.2	Very low	23.9	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	80%	0.796	S	S	*	*			trans	-50.6	132	152.8	-76.7	-45.6	0	0	0	108.2	N188 D192	N188-D190 VanDerWaalsContact C-N 3.33Å; N188-D190 PolarHBondContact O-N 3.11Å; N188-D190 VanDerWaalsContact O-N 3.11Å; D190-D192 PolarHBondContact O-N 3.32Å; D190-D192 VanDerWaalsContact O-N 3.1Å
191	F	23.5	Very low	23.8	Very low	204 Å²	204	137.4 Å²	137.4	90%	0.895	78%	0.783	S	S	*	*			trans	-49.8	111.1	-178.4	-80.7	-104.3	0	0	0	111.1	S189	S189-F191 PolarHBondContact O-N 3.04Å
192	D	22.9	Very low	23.8	Very low	164 Å²	164	133.6 Å²	133.6	88%	0.877	77%	0.771	S	S	*	*			trans	-130.1	104.1	150.5	-103.4	-30.2	0	0	0	109.2	D190 S194	D190-D192 PolarHBondContact O-N 3.32Å; D190-D192 VanDerWaalsContact O-N 3.1Å; D192-S194 PolarHBondContact O-N 3.16Å
193	A	27.8	Very low	23.9	Very low	95 Å²	95	132.3 Å²	132.3	79%	0.785	77%	0.765	S	S	*	*			trans	-67.2	107.1	172.7	0	0	0	0	0	108.9
194	S	23.8	Very low	24.2	Very low	109 Å²	109	134 Å²	134	76%	0.762	76%	0.762	S	S	*	*			trans	157.5	142.9	131.1	56.1	0	0	0	0	112.5	D192	D192-S194 PolarHBondContact O-N 3.16Å
195	S	24.6	Very low	24.7	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	75%	0.746	S	S	*	*			trans	76.7	81.6	161.9	72.2	0	0	0	0	118.8
196	N	27.3	Very low	25.4	Very low	161 Å²	161	126 Å²	126	86%	0.861	72%	0.724	S	S	*	*				137.3	145	108.6	-90.1	-19.6	0	0	0	114.4
197	P	36.8	Very low	26.3	Very low	107 Å²	107	124.8 Å²	124.8	70%	0.695	71%	0.714	S	S	*	*			trans	-109.3	171.7	-156.9	35.1	-18.9	0	0	0	113.3
198	V	24.5	Very low	27.2	Very low	118 Å²	118	119.9 Å²	119.9	72%	0.715	69%	0.694	S	S	*	*			trans	81.8	83.1	159.4	-158.9	0	0	0	0	116.1
199	S	23.3	Very low	28	Very low	111 Å²	111	115 Å²	115	78%	0.776	67%	0.672	S	S	*	*				-133.7	78.6	129.8	51.4	0	0	0	0	107.9	V201	S199-V201 PolarHBondContact O-N 3.09Å
200	I	22.1	Very low	28.8	Very low	147 Å²	147	111.9 Å²	111.9	75%	0.754	65%	0.649	S	S	*	*			trans	-71.7	88.4	170.1	-58.9	169.5	0	0	0	105.4	S202	I200-S202 VanDerWaalsContact C-N 3.35Å; I200-S202 PolarHBondContact O-N 2.95Å
201	V	22.9	Very low	29.7	Very low	108 Å²	108	105.4 Å²	105.4	66%	0.655	61%	0.613	S	S	*	*			trans	-76.7	100.2	159.8	-179	0	0	0	0	104.8	S199 N203	S199-V201 PolarHBondContact O-N 3.09Å; V201-N203 WeakPolarHBondContact CG1-OD1 3.33Å; V201-N203 PolarHBondContact O-N 2.95Å
202	S	22.6	Very low	30.7	Very low	90 Å²	90	96.1 Å²	96.1	63%	0.629	57%	0.573	S	S	*	*			trans	-60.9	82.4	168.1	47.7	0	0	0	0	108.8	I200 E204	I200-S202 VanDerWaalsContact C-N 3.35Å; I200-S202 PolarHBondContact O-N 2.95Å; S202-E204 PolarHBondContact O-N 2.83Å
203	N	25.7	Very low	31.7	Very low	127 Å²	127	88.3 Å²	88.3	68%	0.679	53%	0.532	S	S	*	.			trans	-69.1	82.6	166.8	-85.6	0.2	0	0	0	107.8	V201 N205	V201-N203 WeakPolarHBondContact CG1-OD1 3.33Å; V201-N203 PolarHBondContact O-N 2.95Å; N203-N205 PolarHBondContact O-N 3.47Å
204	E	28.6	Very low	32.5	Very low	162 Å²	162	85.3 Å²	85.3	76%	0.757	50%	0.504	S	S	*	.			trans	-77.8	16.3	173.4	-70.9	-166.7	143.2	0	0	113.2	S202 S206	S202-E204 PolarHBondContact O-N 2.83Å; E204-S206 PolarHBondContact O-N 2.81Å
205	N	32	Very low	33.6	Very low	76 Å²	76	80.3 Å²	80.3	41%	0.406	47%	0.469	S	S	.	.	S	Bend	trans	-107.3	80.9	-168.8	-72.2	-4.4	0	0	0	112.4	L162 N203	L162-N205 HydrophobicContact CD2-CB 3.77Å; N203-N205 PolarHBondContact O-N 3.47Å
206	S	35.3	Very low	34.7	Very low	55 Å²	55	80.3 Å²	80.3	39%	0.385	46%	0.456	S	S	.	.			trans	41	82.8	159	67.1	0	0	0	0	116.7	E204 M208	E204-S206 PolarHBondContact O-N 2.81Å; S206-M208 PolarHBondContact O-N 3.44Å
207	D	41.3	Very low	35.8	Very low	104 Å²	104	72.6 Å²	72.6	56%	0.556	42%	0.415	S	S	*	.			trans	-67.8	93.6	169.8	-64.8	-31	0	0	0	109.2	H332	D207-H332 HydrophobicContact CB-CB 4.14Å; D207-H332 WeakPolarHBondContact O-CB 3.1Å; D207-H332 PolarHBondContact O-CD2 2.87Å; D207-H332 PolarHBondContact O-N 3.09Å
208	M	38.9	Very low	36.4	Very low	81 Å²	81	70.7 Å²	70.7	40%	0.399	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.1	169.4	-169.5	154.9	70.7	0	0	108.7	S206 V330	S206-M208 PolarHBondContact O-N 3.44Å; M208-V330 WeakPolarHBondContact CA-O 3.38Å
209	S	37.8	Very low	37.7	Very low	44 Å²	44	65.3 Å²	65.3	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.6	-178	-62.5	0	0	0	0	109.7	F211 S329 V330 H332	S209-F211 VanDerWaalsContact CB-CE2 3.41Å; S209-F211 WeakPolarHBondContact O-CD2 3.46Å; S209-F211 WeakPolarHBondContact O-CE2 3.36Å; S209-S329 CarbonylContact O-C 3.57Å; S209-S329 WeakPolarHBondContact O-CA 3.44Å; S209-V330 PolarHBondContact N-O 2.99Å; S209-V330 PolarHBondContact O-N 3.15Å; S209-H332 PolarHBondContact OG-NE2 3.47Å
210	T	40.7	Very low	39	Very low	36 Å²	36	64 Å²	64	22%	0.221	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.5	175	-47.7	0	0	0	0	110.2	L41 L327 L328 S329	L41-T210 HydrophobicContact CD1-CG2 3.51Å; L41-T210 PolarHBondContact N-O 3.38Å; T210-L327 HydrophobicContact CG2-CD2 3.9Å; T210-L328 CarbonylContact C-O 3.49Å; T210-L328 WeakPolarHBondContact CA-O 3.44Å; T210-S329 PolarHBondContact OG1-OG 3.03Å; T210-S329 VanDerWaalsContact OG1-OG 3.07Å
211	F	40.4	Very low	40.2	Very low	12 Å²	12	58.3 Å²	58.3	5%	0.053	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.2	-178.7	-58.7	-86.5	0	0	0	111.6	A38 Y39 P40 S209 V213 V244 L328 V330	A38-F211 HydrophobicContact CB-CB 3.84Å; A38-F211 HydrophobicContact CB-CD1 3.79Å; A38-F211 HydrophobicContact CB-CG 3.93Å; Y39-F211 WeakPolarHBondContact O-CA 3.33Å; P40-F211 HydrophobicContact CG-CE1 4.3Å; S209-F211 VanDerWaalsContact CB-CE2 3.41Å; S209-F211 WeakPolarHBondContact O-CD2 3.46Å; S209-F211 WeakPolarHBondContact O-CE2 3.36Å; F211-V213 HydrophobicContact CB-CG2 4.36Å; F211-V244 HydrophobicContact CE1-CB 4.09Å; F211-V244 HydrophobicContact CE1-CG2 3.83Å; F211-V244 HydrophobicContact CZ-CG2 4.31Å; F211-L328 PolarHBondContact N-O 3.39Å; F211-L328 PolarHBondContact O-N 3.39Å; F211-V330 HydrophobicContact CD2-CB 4.44Å; F211-V330 HydrophobicContact CD2-CG2 3.94Å; F211-V330 HydrophobicContact CE2-CB 4.08Å; F211-V330 HydrophobicContact CE2-CG2 4Å
212	L	44.4	Very low	41.2	Very low	9 Å²	9	61.8 Å²	61.8	5%	0.047	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.2	166.6	-164.6	74.3	0	0	0	109	Y39 L41 L47 I94 F325 V326 L327	Y39-L212 PolarHBondContact N-O 3.16Å; Y39-L212 PolarHBondContact O-N 3.33Å; L41-L212 HydrophobicContact CG-CB 4.49Å; L47-L212 HydrophobicContact CD1-CD2 4.28Å; I94-L212 HydrophobicContact CD1-CD1 4.2Å; L212-F325 HydrophobicContact CD1-CB 3.7Å; L212-F325 HydrophobicContact CD1-CG 4.43Å; L212-F325 HydrophobicContact CD2-CB 4.25Å; L212-F325 HydrophobicContact CD2-CD1 3.82Å; L212-F325 HydrophobicContact CD2-CE1 4.39Å; L212-F325 HydrophobicContact CD2-CG 4.08Å; L212-F325 HydrophobicContact CG-CB 3.86Å; L212-F325 HydrophobicContact CG-CD1 3.91Å; L212-F325 HydrophobicContact CG-CG 4.15Å; L212-V326 WeakPolarHBondContact CA-O 3.43Å; L212-L327 HydrophobicContact CD1-CG 4.16Å
213	V	45.1	Very low	41.9	Very low	1 Å²	1	61.3 Å²	61.3	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.8	-176	178.4	0	0	0	0	110.8	F36 A38 F211 V215 I229 F325 V326 L328	F36-V213 HydrophobicContact CD2-CG1 3.68Å; F36-V213 HydrophobicContact CD2-CG2 4.47Å; F36-V213 HydrophobicContact CE2-CB 4.25Å; F36-V213 HydrophobicContact CE2-CG1 3.42Å; F36-V213 VanDerWaalsContact CE2-CG1 3.42Å; F36-V213 HydrophobicContact CE2-CG2 3.75Å; F36-V213 HydrophobicContact CZ-CG1 4.19Å; A38-V213 HydrophobicContact CB-CG2 4Å; F211-V213 HydrophobicContact CB-CG2 4.36Å; V213-V215 PolarHBondContact O-N 3.43Å; V213-I229 HydrophobicContact CG1-CD1 4.31Å; V213-I229 HydrophobicContact CG1-CG1 4.23Å; V213-I229 HydrophobicContact CG1-CG2 3.65Å; V213-F325 CarbonylContact O-C 3.6Å; V213-F325 VanDerWaalsContact O-CA 3.31Å; V213-F325 WeakPolarHBondContact O-CA 3.34Å; V213-V326 PolarHBondContact N-O 3.16Å; V213-V326 PolarHBondContact O-N 3.11Å; V213-L328 HydrophobicContact CB-CD1 4.19Å; V213-L328 HydrophobicContact CG2-CD1 3.67Å; V213-L328 HydrophobicContact CG2-CG 4.22Å
214	P	44	Very low	42.6	Very low	31 Å²	31	55.4 Å²	55.4	20%	0.201	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.5	176.2	28.5	-33	0	0	0	111.1	T230 G324 F325	P214-T230 PolarHBondContact O-N 3.29Å; P214-G324 WeakPolarHBondContact CA-O 3.07Å; P214-F325 HydrophobicContact CB-CD1 4.18Å; P214-F325 HydrophobicContact CB-CE1 4.08Å
215	V	47.8	Very low	43.4	Very low	5 Å²	5	48.9 Å²	48.9	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.6	179	-63.8	0	0	0	0	111.5	V213 L227 H228 I229 P323 G324 V326	V213-V215 PolarHBondContact O-N 3.43Å; V215-L227 HydrophobicContact CG2-CD2 4.27Å; V215-H228 CarbonylContact C-O 3.59Å; V215-H228 WeakPolarHBondContact CA-O 3.26Å; V215-I229 HydrophobicContact CG1-CG1 3.94Å; V215-P323 CarbonylContact O-C 3.55Å; V215-P323 WeakPolarHBondContact O-CA 3.43Å; V215-G324 PolarHBondContact N-O 3.4Å; V215-G324 PolarHBondContact O-N 2.91Å; V215-G324 VanDerWaalsContact O-O 3.11Å; V215-V326 HydrophobicContact CB-CG2 4.15Å; V215-V326 HydrophobicContact CG1-CB 4.38Å; V215-V326 HydrophobicContact CG1-CG2 3.44Å; V215-V326 VanDerWaalsContact CG1-CG2 3.44Å; V215-V326 HydrophobicContact CG2-CG2 3.62Å
216	K	47.5	Very low	44	Very low	101 Å²	101	46.1 Å²	46.1	44%	0.439	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.4	162.8	-80	176.3	-173.7	179.1	0	107.5	H228 T230 T321 R322	K216-H228 HydrophobicContact CB-CB 4.27Å; K216-H228 PolarHBondContact N-O 3.12Å; K216-H228 PolarHBondContact O-N 3.42Å; K216-T230 WeakPolarHBondContact CG-OG1 3.23Å; K216-T321 HydrophobicContact CB-CG2 3.7Å; K216-T321 HydrophobicContact CD-CG2 4.31Å; K216-T321 HydrophobicContact CG-CG2 4.19Å; K216-R322 CarbonylContact C-O 3.48Å; K216-R322 WeakPolarHBondContact CA-O 3.46Å
217	A	50.1	Low	44.4	Very low	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.3	174.6	0	0	0	0	0	110.6	F95 L225 S226 L227 T321 R322	F95-A217 HydrophobicContact CD1-CB 4.45Å; F95-A217 HydrophobicContact CE1-CB 3.39Å; F95-A217 HydrophobicContact CZ-CB 3.93Å; A217-L225 HydrophobicContact CB-CD1 3.97Å; A217-S226 CarbonylContact C-O 3.49Å; A217-S226 VanDerWaalsContact CA-O 3.28Å; A217-S226 WeakPolarHBondContact CA-O 3.34Å; A217-L227 HydrophobicContact CB-CD2 3.35Å; A217-T321 CarbonylContact O-C 3.45Å; A217-T321 VanDerWaalsContact O-CA 3.27Å; A217-T321 WeakPolarHBondContact O-CA 3.31Å; A217-R322 PolarHBondContact N-O 2.72Å; A217-R322 PolarHBondContact O-N 3.3Å
218	K	49.4	Very low	44.5	Very low	66 Å²	66	42.6 Å²	42.6	29%	0.287	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.7	173.5	-175.8	-173.7	176.2	-156.5	0	108.1	E220 S226 T321	K218-E220 HydrophobicContact CD-CG 4.09Å; K218-E220 WeakPolarHBondContact CE-OE1 3.4Å; K218-E220 HydrophobicContact CG-CG 4.14Å; K218-E220 IonicContact NZ-OE1 3.51Å; K218-E220 PolarHBondContact NZ-OE1 3.11Å; K218-S226 PolarHBondContact N-O 3.28Å; K218-S226 PolarHBondContact O-N 3.48Å; K218-S226 PolarHBondContact O-OG 3.01Å; K218-S226 VanDerWaalsContact O-OG 3.07Å; K218-T321 HydrophobicContact CB-CG2 4.47Å
219	F	51.9	Low	44.8	Very low	6 Å²	6	40 Å²	40	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.2	176.2	-168.7	-92.1	0	0	0	110.3	G221 L225 M291 I294 I317 R318 G319	F219-G221 WeakPolarHBondContact CE1-O 3.4Å; F219-G221 WeakPolarHBondContact CZ-O 3.46Å; F219-L225 HydrophobicContact CB-CD1 4.48Å; F219-L225 HydrophobicContact CD2-CB 4.32Å; F219-L225 HydrophobicContact CD2-CD1 4.29Å; F219-M291 HydrophobicContact CD1-CE 3.43Å; F219-M291 VanDerWaalsContact CD1-CE 3.43Å; F219-M291 HydrophobicContact CD1-SD 3.9Å; F219-M291 HydrophobicContact CE1-CE 3.09Å; F219-M291 HydrophobicContact CE1-SD 3.12Å; F219-M291 WeakPolarHBondContact CE1-SD 3.47Å; F219-M291 HydrophobicContact CE2-SD 4.03Å; F219-M291 HydrophobicContact CG-CE 4.41Å; F219-M291 HydrophobicContact CZ-CE 3.86Å; F219-M291 HydrophobicContact CZ-SD 3.19Å; F219-M291 WeakPolarHBondContact CZ-SD 3.33Å; F219-I294 HydrophobicContact CD2-CD1 3.79Å; F219-I294 HydrophobicContact CE2-CD1 3.18Å; F219-I294 HydrophobicContact CZ-CD1 4.06Å; F219-I317 HydrophobicContact CB-CG2 3.98Å; F219-R318 HydrophobicContact CD1-CB 4.4Å; F219-R318 HydrophobicContact CD1-CG 4.21Å; F219-G319 PolarHBondContact O-N 2.93Å
220	E	50.8	Low	44.9	Very low	84 Å²	84	39.9 Å²	39.9	39%	0.393	21%	0.213	S	C	.	.			trans	-102.5	55.6	-175.4	-66.1	-164.2	161.3	0	0	112.1	K218 E222 S223 G224	K218-E220 HydrophobicContact CD-CG 4.09Å; K218-E220 WeakPolarHBondContact CE-OE1 3.4Å; K218-E220 HydrophobicContact CG-CG 4.14Å; K218-E220 IonicContact NZ-OE1 3.51Å; K218-E220 PolarHBondContact NZ-OE1 3.11Å; E220-E222 PolarHBondContact O-N 3.03Å; E220-S223 WeakPolarHBondContact O-CA 3.33Å; E220-S223 VanDerWaalsContact O-CB 3.3Å; E220-S223 WeakPolarHBondContact O-CB 3.41Å; E220-S223 PolarHBondContact O-N 3.49Å; E220-G224 PolarHBondContact N-O 2.93Å
221	G	46.2	Very low	44.8	Very low	26 Å²	26	40.9 Å²	40.9	27%	0.268	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-112.2	170.1	0	0	0	0	0	113.5	F219 S223	F219-G221 WeakPolarHBondContact CE1-O 3.4Å; F219-G221 WeakPolarHBondContact CZ-O 3.46Å; G221-S223 VanDerWaalsContact C-N 3.34Å
222	E	43.9	Very low	44.4	Very low	181 Å²	181	47.1 Å²	47.1	85%	0.846	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	2.3	176.5	-64.2	-173.1	177.1	0	0	114.1	E220 T288	E220-E222 PolarHBondContact O-N 3.03Å; E222-T288 WeakPolarHBondContact O-CB 3.47Å; E222-T288 WeakPolarHBondContact O-CG2 3.31Å; E222-T288 PolarHBondContact O-OG1 3.38Å; E222-T288 VanDerWaalsContact O-OG1 3.04Å
223	S	37.6	Very low	43.9	Very low	81 Å²	81	53.5 Å²	53.5	57%	0.566	28%	0.277	S	S	*	.	S	Bend	trans	-94.4	-21.1	173.7	-53.5	0	0	0	0	113.4	E220 G221 T288	E220-S223 WeakPolarHBondContact O-CA 3.33Å; E220-S223 VanDerWaalsContact O-CB 3.3Å; E220-S223 WeakPolarHBondContact O-CB 3.41Å; E220-S223 PolarHBondContact O-N 3.49Å; G221-S223 VanDerWaalsContact C-N 3.34Å; S223-T288 WeakPolarHBondContact CA-OG1 3.4Å; S223-T288 WeakPolarHBondContact O-CB 3.31Å; S223-T288 VanDerWaalsContact O-CG2 3.24Å; S223-T288 WeakPolarHBondContact O-CG2 3.3Å; S223-T288 PolarHBondContact O-OG1 3.26Å
224	G	41.5	Very low	43.2	Very low	3 Å²	3	60.2 Å²	60.2	3%	0.031	31%	0.312	C	S	.	.			trans	105	-162.4	167.8	0	0	0	0	0	113.1	E220	E220-G224 PolarHBondContact N-O 2.93Å
225	L	45.1	Very low	42.4	Very low	24 Å²	24	66.3 Å²	66.3	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110	176.5	-171	72.9	0	0	0	110.1	M57 F95 A217 F219 L227	M57-L225 HydrophobicContact CE-CD2 3.99Å; F95-L225 HydrophobicContact CZ-CD1 4.46Å; F95-L225 HydrophobicContact CZ-CD2 4.07Å; A217-L225 HydrophobicContact CB-CD1 3.97Å; F219-L225 HydrophobicContact CB-CD1 4.48Å; F219-L225 HydrophobicContact CD2-CB 4.32Å; F219-L225 HydrophobicContact CD2-CD1 4.29Å; L225-L227 HydrophobicContact CD2-CD2 4.01Å; L225-L227 HydrophobicContact CG-CD2 4.04Å
226	S	43.7	Very low	41.6	Very low	18 Å²	18	70 Å²	70	13%	0.126	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.4	170.2	61.6	0	0	0	0	110.4	A217 K218	A217-S226 CarbonylContact C-O 3.49Å; A217-S226 VanDerWaalsContact CA-O 3.28Å; A217-S226 WeakPolarHBondContact CA-O 3.34Å; K218-S226 PolarHBondContact N-O 3.28Å; K218-S226 PolarHBondContact O-N 3.48Å; K218-S226 PolarHBondContact O-OG 3.01Å; K218-S226 VanDerWaalsContact O-OG 3.07Å
227	L	45.1	Very low	40.8	Very low	10 Å²	10	74.1 Å²	74.1	5%	0.052	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.3	-178.4	-60.1	176.1	0	0	0	110.1	F93 V215 A217 L225 L255 V326	F93-L227 HydrophobicContact CD1-CD1 3.63Å; F93-L227 HydrophobicContact CD1-CD2 4.42Å; F93-L227 HydrophobicContact CE1-CD1 2.99Å; F93-L227 HydrophobicContact CE1-CG 4.34Å; F93-L227 HydrophobicContact CZ-CD1 3.59Å; V215-L227 HydrophobicContact CG2-CD2 4.27Å; A217-L227 HydrophobicContact CB-CD2 3.35Å; L225-L227 HydrophobicContact CD2-CD2 4.01Å; L225-L227 HydrophobicContact CG-CD2 4.04Å; L227-L255 HydrophobicContact CD1-CD1 3.51Å; L227-L255 HydrophobicContact CD1-CG 4.4Å; L227-L255 HydrophobicContact CG-CD1 4.34Å; L227-V326 HydrophobicContact CD1-CG2 4.3Å
228	H	42.7	Very low	39.7	Very low	75 Å²	75	79.8 Å²	79.8	35%	0.347	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.7	177.7	-62.7	-90.2	0	0	0	108.5	V215 K216 T230	V215-H228 CarbonylContact C-O 3.59Å; V215-H228 WeakPolarHBondContact CA-O 3.26Å; K216-H228 HydrophobicContact CB-CB 4.27Å; K216-H228 PolarHBondContact N-O 3.12Å; K216-H228 PolarHBondContact O-N 3.42Å; H228-T230 PolarHBondContact O-N 3Å
229	I	45.5	Very low	38.9	Very low	26 Å²	26	82 Å²	82	13%	0.133	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.5	170.4	-57.8	175.8	0	0	0	107.5	F36 V213 V215 P231 I253	F36-I229 HydrophobicContact CB-CG2 3.85Å; F36-I229 HydrophobicContact CD1-CB 4.37Å; F36-I229 HydrophobicContact CD1-CD1 4.42Å; F36-I229 HydrophobicContact CD1-CG2 3.43Å; F36-I229 VanDerWaalsContact CD1-CG2 3.43Å; F36-I229 HydrophobicContact CD2-CG2 3.69Å; F36-I229 HydrophobicContact CE1-CB 4.49Å; F36-I229 HydrophobicContact CE1-CD1 3.71Å; F36-I229 HydrophobicContact CE1-CG2 3.8Å; F36-I229 HydrophobicContact CE2-CD1 4.46Å; F36-I229 HydrophobicContact CE2-CG2 4.06Å; F36-I229 HydrophobicContact CG-CG2 3.36Å; F36-I229 HydrophobicContact CZ-CD1 3.73Å; F36-I229 HydrophobicContact CZ-CG2 4.1Å; V213-I229 HydrophobicContact CG1-CD1 4.31Å; V213-I229 HydrophobicContact CG1-CG1 4.23Å; V213-I229 HydrophobicContact CG1-CG2 3.65Å; V215-I229 HydrophobicContact CG1-CG1 3.94Å; I229-P231 WeakPolarHBondContact O-CD 3.48Å; I229-I253 HydrophobicContact CD1-CD1 3.43Å; I229-I253 VanDerWaalsContact CD1-CD1 3.43Å; I229-I253 HydrophobicContact CG1-CD1 4.21Å
230	T	39.6	Very low	38.1	Very low	43 Å²	43	91.3 Å²	91.3	26%	0.264	49%	0.491	S	S	.	.			trans	-91.7	103.1	-178.6	-51.3	0	0	0	0	108.2	P214 K216 H228 R232	P214-T230 PolarHBondContact O-N 3.29Å; K216-T230 WeakPolarHBondContact CG-OG1 3.23Å; H228-T230 PolarHBondContact O-N 3Å; T230-R232 PolarHBondContact O-N 3.41Å
231	P	37.6	Very low	37.3	Very low	56 Å²	56	88.7 Å²	88.7	36%	0.364	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-60.3	128.4	168.4	26.8	-33.8	0	0	0	108.2	P34 A35 I229	P34-P231 HydrophobicContact CB-CB 4.07Å; P34-P231 HydrophobicContact CB-CG 3.85Å; A35-P231 WeakPolarHBondContact O-CB 3.34Å; I229-P231 WeakPolarHBondContact O-CD 3.48Å
232	R	33.9	Very low	36.7	Very low	144 Å²	144	92.5 Å²	92.5	54%	0.543	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-86	130.1	171.6	-91.4	-161.6	170.8	-165.3	1	107.9	T230 S236	T230-R232 PolarHBondContact O-N 3.41Å; R232-S236 PolarHBondContact NH1-OG 3.1Å
233	D	33.3	Very low	36.4	Very low	143 Å²	143	86.2 Å²	86.2	77%	0.765	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.5	164.7	-67.5	-38.9	0	0	0	109.1	I235	D233-I235 VanDerWaalsContact C-N 3.33Å; D233-I235 PolarHBondContact O-N 3.25Å
234	D	29.8	Very low	36.4	Very low	141 Å²	141	84.5 Å²	84.5	75%	0.754	47%	0.47	S	S	*	.	S	Bend	trans	-64.9	75.6	-172.8	-74.6	-44.7	0	0	0	113.6
235	I	28	Very low	36	Very low	160 Å²	160	88.7 Å²	88.7	82%	0.821	50%	0.495	S	S	*	.			trans	-147.4	65.4	163.7	-38.6	170.8	0	0	0	110.5	D233	D233-I235 VanDerWaalsContact C-N 3.33Å; D233-I235 PolarHBondContact O-N 3.25Å
236	S	31	Very low	35.5	Very low	82 Å²	82	89.6 Å²	89.6	57%	0.573	50%	0.501	S	S	*	.	S	Bend	trans	-150.6	122.7	159	32.3	0	0	0	0	111.4	R232	R232-S236 PolarHBondContact NH1-OG 3.1Å
237	Q	29.1	Very low	34.8	Very low	188 Å²	188	91.3 Å²	91.3	88%	0.879	52%	0.517	S	S	*	.			trans	-58.4	133.6	-168.7	-68.5	171.4	-9.4	0	0	112.5	T239	Q237-T239 PolarHBondContact O-N 2.99Å; Q237-T239 VanDerWaalsContact O-N 3.16Å
238	S	28.8	Very low	34.4	Very low	118 Å²	118	91.7 Å²	91.7	83%	0.825	52%	0.52	S	S	*	.			trans	-9.9	97.7	168.2	56.6	0	0	0	0	115.8
239	T	30.8	Very low	33.8	Very low	114 Å²	114	89.8 Å²	89.8	70%	0.699	51%	0.514	S	S	*	.			trans	-77.9	145.6	152.5	-35	0	0	0	0	107.6	Q237 G241	Q237-T239 PolarHBondContact O-N 2.99Å; Q237-T239 VanDerWaalsContact O-N 3.16Å; T239-G241 PolarHBondContact O-N 2.77Å
240	Q	35.2	Very low	33	Very low	201 Å²	201	93.5 Å²	93.5	94%	0.939	54%	0.543	S	S	*	.	S	Bend	trans	-67.1	51.2	-167	-73.7	-166.8	-17.9	0	0	116.7
241	G	34.7	Very low	32.4	Very low	28 Å²	28	97.6 Å²	97.6	29%	0.289	56%	0.559	S	S	.	*	S	Bend	trans	-156.7	127.2	163.9	0	0	0	0	0	106.5	T239 P243	T239-G241 PolarHBondContact O-N 2.77Å; G241-P243 WeakPolarHBondContact O-CD 3.47Å
242	S	33.6	Very low	31.9	Very low	107 Å²	107	98.6 Å²	98.6	75%	0.748	57%	0.565	S	S	*	*			trans	-58.7	112.7	178.6	-173.1	0	0	0	0	107.9	V244	S242-V244 PolarHBondContact O-N 3.03Å
243	P	36.8	Very low	31.8	Very low	49 Å²	49	93.8 Å²	93.8	32%	0.318	55%	0.55	S	S	.	.			trans	-61.9	136.5	176.6	24.5	-30.2	0	0	0	108.7	N37 Y39 G241	N37-P243 HydrophobicContact CB-CB 3.69Å; Y39-P243 HydrophobicContact CE1-CB 4.43Å; G241-P243 WeakPolarHBondContact O-CD 3.47Å
244	V	38.5	Very low	31.6	Very low	45 Å²	45	90.4 Å²	90.4	27%	0.273	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.8	171.5	179.9	0	0	0	0	107	A38 F211 S242 V246	A38-V244 PolarHBondContact N-O 3.14Å; A38-V244 PolarHBondContact O-N 2.94Å; F211-V244 HydrophobicContact CE1-CB 4.09Å; F211-V244 HydrophobicContact CE1-CG2 3.83Å; F211-V244 HydrophobicContact CZ-CG2 4.31Å; S242-V244 PolarHBondContact O-N 3.03Å; V244-V246 HydrophobicContact CG1-CG2 4.34Å; V244-V246 PolarHBondContact O-N 2.93Å
245	T	33	Very low	31.7	Very low	90 Å²	90	85.3 Å²	85.3	55%	0.552	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	108.4	177.3	-54.6	0	0	0	0	109.3	A35 F36 N37	A35-T245 HydrophobicContact CB-CG2 3.44Å; A35-T245 VanDerWaalsContact CB-CG2 3.44Å; F36-T245 WeakPolarHBondContact O-CA 3.4Å; N37-T245 PolarHBondContact OD1-OG1 2.9Å; N37-T245 VanDerWaalsContact OD1-OG1 3.11Å
246	V	35.5	Very low	31.6	Very low	44 Å²	44	84.3 Å²	84.3	27%	0.267	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.8	177.8	-175.5	0	0	0	0	108.3	A35 F36 A38 V244 C248	A35-V246 WeakPolarHBondContact CA-O 3.45Å; F36-V246 HydrophobicContact CD1-CB 4.46Å; F36-V246 WeakPolarHBondContact CD1-O 2.96Å; F36-V246 HydrophobicContact CD2-CB 4.48Å; F36-V246 HydrophobicContact CE1-CB 3.91Å; F36-V246 HydrophobicContact CE1-CG1 4Å; F36-V246 HydrophobicContact CE2-CB 3.91Å; F36-V246 HydrophobicContact CE2-CG2 4.25Å; F36-V246 HydrophobicContact CZ-CB 3.61Å; F36-V246 HydrophobicContact CZ-CG1 3.76Å; F36-V246 HydrophobicContact CZ-CG2 4.3Å; F36-V246 PolarHBondContact N-O 3.12Å; F36-V246 PolarHBondContact O-N 2.86Å; A38-V246 HydrophobicContact CB-CG2 4.05Å; V244-V246 HydrophobicContact CG1-CG2 4.34Å; V244-V246 PolarHBondContact O-N 2.93Å; V246-C248 PolarHBondContact O-N 2.86Å
247	A	29.2	Very low	31.5	Very low	54 Å²	54	82 Å²	82	45%	0.446	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.6	174.4	0	0	0	0	0	109.7
248	C	35.8	Very low	31.3	Very low	17 Å²	17	79.7 Å²	79.7	12%	0.115	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-100.7	134.8	178.5	-165.1	0	0	0	0	109.7	P34 F36 V246 S250	P34-C248 WeakPolarHBondContact O-CB 3.4Å; P34-C248 PolarHBondContact O-N 3.19Å; P34-C248 VanDerWaalsContact O-N 3.09Å; F36-C248 HydrophobicContact CD1-CB 3.85Å; F36-C248 HydrophobicContact CE1-CB 3.89Å; V246-C248 PolarHBondContact O-N 2.86Å; C248-S250 PolarHBondContact O-N 2.86Å
249	P	30.7	Very low	31.2	Very low	36 Å²	36	77.4 Å²	77.4	23%	0.234	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-60	140.1	163.5	24.4	-29.7	0	0	0	108.5	Q251	P249-Q251 PolarHBondContact O-N 2.84Å
250	S	28.1	Very low	31	Very low	104 Å²	104	77.4 Å²	77.4	73%	0.727	45%	0.447	S	S	*	.	S	Bend	trans	-63.5	4.8	-178.5	52.8	0	0	0	0	114.6	C248	C248-S250 PolarHBondContact O-N 2.86Å
251	Q	26.3	Very low	30.7	Very low	129 Å²	129	75.6 Å²	75.6	60%	0.603	44%	0.439	S	S	*	.	S	Bend	trans	-103.4	137.5	-179.8	-67.2	-174.3	-1.3	0	0	110.6	P249 I253	P249-Q251 PolarHBondContact O-N 2.84Å; Q251-I253 PolarHBondContact O-N 2.85Å
252	P	28.1	Very low	30.2	Very low	76 Å²	76	82 Å²	82	49%	0.494	46%	0.461	S	S	.	.			trans	-58.8	137.6	-179.8	25.1	-34	0	0	0	111.3	V254	P252-V254 PolarHBondContact O-N 2.86Å; P252-V254 VanDerWaalsContact O-N 3.15Å
253	I	31.9	Very low	30	Very low	44 Å²	44	83.6 Å²	83.6	23%	0.226	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-77.6	102.3	174.6	-59.1	177.1	0	0	0	107.6	L68 I229 Q251 L255	L68-I253 HydrophobicContact CD2-CD1 4.31Å; I229-I253 HydrophobicContact CD1-CD1 3.43Å; I229-I253 VanDerWaalsContact CD1-CD1 3.43Å; I229-I253 HydrophobicContact CG1-CD1 4.21Å; Q251-I253 PolarHBondContact O-N 2.85Å; I253-L255 HydrophobicContact CG2-CD2 4.3Å
254	V	29.2	Very low	29.5	Very low	72 Å²	72	88 Å²	88	44%	0.436	48%	0.482	S	S	.	.			trans	-91.4	120.2	174.8	-176.6	0	0	0	0	108.2	P252 Y256	P252-V254 PolarHBondContact O-N 2.86Å; P252-V254 VanDerWaalsContact O-N 3.15Å; V254-Y256 HydrophobicContact CG1-CE1 4.15Å; V254-Y256 WeakPolarHBondContact O-CD2 3.37Å; V254-Y256 WeakPolarHBondContact O-CE2 3.43Å
255	L	30.9	Very low	29	Very low	34 Å²	34	90.8 Å²	90.8	18%	0.178	50%	0.504	C	S	.	.			trans	-85.1	132.2	179.4	-62	177.3	0	0	0	110.6	L66 F93 L227 I253	L66-L255 HydrophobicContact CD1-CD2 4.09Å; L66-L255 HydrophobicContact CD2-CD2 3.31Å; L66-L255 HydrophobicContact CG-CD2 4.34Å; F93-L255 HydrophobicContact CE1-CD1 4.16Å; F93-L255 HydrophobicContact CE2-CD1 4.31Å; F93-L255 HydrophobicContact CZ-CD1 3.46Å; F93-L255 VanDerWaalsContact CZ-CD1 3.46Å; L227-L255 HydrophobicContact CD1-CD1 3.51Å; L227-L255 HydrophobicContact CD1-CG 4.4Å; L227-L255 HydrophobicContact CG-CD1 4.34Å; I253-L255 HydrophobicContact CG2-CD2 4.3Å
256	Y	25.9	Very low	28.7	Very low	139 Å²	139	92.9 Å²	92.9	55%	0.545	52%	0.517	S	S	.	.			trans	-111.6	115.3	-178.7	-58.8	-78	0	0	0	111.4	V254 A286	V254-Y256 HydrophobicContact CG1-CE1 4.15Å; V254-Y256 WeakPolarHBondContact O-CD2 3.37Å; V254-Y256 WeakPolarHBondContact O-CE2 3.43Å; Y256-A286 HydrophobicContact CD1-CB 3.66Å; Y256-A286 HydrophobicContact CE1-CB 3.54Å
257	P	28.4	Very low	28.3	Very low	34 Å²	34	99 Å²	99	22%	0.221	54%	0.543	C	S	.	.			trans	-76.3	155.7	173.4	21.9	-28.9	0	0	0	115.6	Q287 F289	P257-Q287 WeakPolarHBondContact CD-O 3.37Å; P257-Q287 WeakPolarHBondContact CG-O 3.26Å; P257-F289 HydrophobicContact CB-CD1 4.35Å; P257-F289 HydrophobicContact CB-CD2 3.92Å; P257-F289 HydrophobicContact CB-CE1 3.96Å; P257-F289 HydrophobicContact CB-CE2 3.48Å; P257-F289 VanDerWaalsContact CB-CE2 3.48Å; P257-F289 HydrophobicContact CB-CG 4.34Å; P257-F289 HydrophobicContact CB-CZ 3.53Å; P257-F289 HydrophobicContact CG-CD1 4.43Å; P257-F289 HydrophobicContact CG-CD2 3.55Å; P257-F289 HydrophobicContact CG-CE1 4.49Å; P257-F289 HydrophobicContact CG-CE2 3.63Å; P257-F289 HydrophobicContact CG-CG 4Å; P257-F289 HydrophobicContact CG-CZ 4.14Å
258	F	26.1	Very low	28.1	Very low	139 Å²	139	103.3 Å²	103.3	61%	0.61	56%	0.558	S	S	*	*			trans	-77.6	135.2	178	178.4	-102.7	0	0	0	112.5	V260	F258-V260 HydrophobicContact CD1-CG2 4.21Å; F258-V260 HydrophobicContact CE1-CB 4.2Å; F258-V260 HydrophobicContact CE1-CG2 3.67Å
259	S	26.9	Very low	27.6	Very low	69 Å²	69	108.1 Å²	108.1	48%	0.483	59%	0.587	S	S	.	*			trans	-106.3	129.3	160	56.8	0	0	0	0	109.8	Q261	S259-Q261 PolarHBondContact O-N 3.41Å
260	V	27.1	Very low	27.3	Very low	114 Å²	114	111.4 Å²	111.4	69%	0.691	61%	0.611	S	S	*	*			trans	-64.4	105	170.9	-176.7	0	0	0	0	106.5	F258 Q262	F258-V260 HydrophobicContact CD1-CG2 4.21Å; F258-V260 HydrophobicContact CE1-CB 4.2Å; F258-V260 HydrophobicContact CE1-CG2 3.67Å; V260-Q262 PolarHBondContact O-N 2.93Å
261	Q	27.4	Very low	27.9	Very low	163 Å²	163	112.8 Å²	112.8	76%	0.762	62%	0.617	S	S	*	*			trans	-58.2	109.6	162.2	-85.2	-177.7	-12.4	0	0	106.5	S259 D263	S259-Q261 PolarHBondContact O-N 3.41Å; Q261-D263 VanDerWaalsContact C-N 3.27Å; Q261-D263 PolarHBondContact O-N 3.32Å
262	Q	25.9	Very low	27.8	Very low	163 Å²	163	110.9 Å²	110.9	76%	0.762	62%	0.624	S	S	*	*			trans	-60.8	98.6	164.4	-85.8	179.3	-14.8	0	0	106.3	V260 N264	V260-Q262 PolarHBondContact O-N 2.93Å; Q262-N264 PolarHBondContact O-N 3.13Å
263	D	28	Very low	27.6	Very low	140 Å²	140	112.6 Å²	112.6	75%	0.749	64%	0.637	S	S	*	*			trans	-63.1	74	170.4	-83.9	-29.7	0	0	0	109.5	Q261 S265	Q261-D263 VanDerWaalsContact C-N 3.27Å; Q261-D263 PolarHBondContact O-N 3.32Å; D263-S265 VanDerWaalsContact C-N 3.3Å; D263-S265 PolarHBondContact O-N 3.39Å
264	N	26.2	Very low	27.3	Very low	141 Å²	141	119.7 Å²	119.7	75%	0.754	67%	0.67	S	S	*	*			trans	-88.6	73.1	164.6	-72	-21	0	0	0	108	Q262	Q262-N264 PolarHBondContact O-N 3.13Å
265	S	27.9	Very low	27.1	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	69%	0.686	S	S	*	*			trans	-145.3	104.5	157	53.7	0	0	0	0	111.3	D263	D263-S265 VanDerWaalsContact C-N 3.3Å; D263-S265 PolarHBondContact O-N 3.39Å
266	T	28	Very low	26.8	Very low	134 Å²	134	124.9 Å²	124.9	82%	0.822	71%	0.712	S	S	*	*			trans	-64.6	154	164.8	-14.7	0	0	0	0	110.1
267	E	26.7	Very low	26.9	Very low	172 Å²	172	123.7 Å²	123.7	80%	0.804	72%	0.722	S	S	*	*			trans	-33	156	-179.2	-67.1	166.9	134.2	0	0	119.8
268	D	24.5	Very low	26.7	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	75%	0.75	S	S	*	*			trans	100.2	93.5	148.1	-72.5	-21.9	0	0	0	121.5
269	T	25.1	Very low	26.8	Very low	119 Å²	119	128 Å²	128	73%	0.73	77%	0.765	S	S	*	*				67.3	123.5	127.8	-3.8	0	0	0	0	121.5
270	S	25.4	Very low	26.8	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	78%	0.776	S	S	*	*			trans	105	133.8	142.5	-53.1	0	0	0	0	117.5
271	P	39.7	Very low	26.9	Very low	132 Å²	132	130.3 Å²	130.3	86%	0.857	79%	0.786	S	S	*	*			trans	-90.1	129.1	-162	35.4	-30.4	0	0	0	110.7
272	A	23.7	Very low	26.7	Very low	90 Å²	90	126 Å²	126	74%	0.744	79%	0.785	S	S	*	*			trans	-132.9	99.2	165.4	0	0	0	0	0	109.3
273	S	25	Very low	26.8	Very low	111 Å²	111	120.8 Å²	120.8	78%	0.776	78%	0.775	S	S	*	*			trans	64.2	88.5	134.8	-44	0	0	0	0	116.5	A275	S273-A275 PolarHBondContact O-N 3.14Å
274	Q	25.5	Very low	26.9	Very low	193 Å²	193	120.4 Å²	120.4	90%	0.902	78%	0.78	S	S	*	*			trans	-4	87.2	142.8	-65.7	177.7	-2.4	0	0	114.3	V276	Q274-V276 PolarHBondContact O-N 3.42Å
275	A	24.3	Very low	26.9	Very low	95 Å²	95	120 Å²	120	79%	0.785	78%	0.783	S	S	*	*			trans	-75.2	106.1	155.1	0	0	0	0	0	106	S273 P277	S273-A275 PolarHBondContact O-N 3.14Å; A275-P277 WeakPolarHBondContact O-CD 3.39Å
276	V	24.5	Very low	26.9	Very low	120 Å²	120	118 Å²	118	73%	0.727	77%	0.773	S	S	*	*			trans	-53.5	119.2	175.4	176.6	0	0	0	0	107.9	Q274 D278	Q274-V276 PolarHBondContact O-N 3.42Å; V276-D278 PolarHBondContact O-N 2.78Å; V276-D278 VanDerWaalsContact O-N 3.16Å
277	P	27.8	Very low	27	Very low	115 Å²	115	117.4 Å²	117.4	75%	0.747	76%	0.761	S	S	*	*			trans	-71.2	112.9	179.5	26.9	-29.4	0	0	0	108.1	A275 A279	A275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-A279 PolarHBondContact O-N 2.87Å; P277-A279 VanDerWaalsContact O-N 3.12Å
278	D	24.5	Very low	27.1	Very low	152 Å²	152	111.1 Å²	111.1	81%	0.813	73%	0.734	S	S	*	*			trans	-54.8	117.4	164.1	-82.7	-35.5	0	0	0	107.8	V276 S280	V276-D278 PolarHBondContact O-N 2.78Å; V276-D278 VanDerWaalsContact O-N 3.16Å; D278-S280 PolarHBondContact O-N 3.34Å
279	A	28.7	Very low	27.5	Very low	111 Å²	111	107.4 Å²	107.4	92%	0.917	71%	0.711	S	S	*	*			trans	-64.4	76.7	-179.7	0	0	0	0	0	110.5	P277	P277-A279 PolarHBondContact O-N 2.87Å; P277-A279 VanDerWaalsContact O-N 3.12Å
280	S	26.2	Very low	28	Very low	102 Å²	102	104.9 Å²	104.9	71%	0.713	70%	0.696	S	S	*	*			trans	-96	117	149.6	53.5	0	0	0	0	105.7	D278 G282	D278-S280 PolarHBondContact O-N 3.34Å; S280-G282 PolarHBondContact O-N 2.86Å
281	S	29.2	Very low	28.5	Very low	130 Å²	130	101 Å²	101	91%	0.909	67%	0.666	S	S	*	*			trans	-65.5	67	178.9	52.2	0	0	0	0	110.8	G283	S281-G283 VanDerWaalsContact C-N 3.29Å; S281-G283 PolarHBondContact O-N 3.06Å
282	G	23.8	Very low	28.5	Very low	71 Å²	71	102 Å²	102	73%	0.732	66%	0.657	S	S	*	*			trans	-84.5	75.7	167.7	0	0	0	0	0	108.5	S280	S280-G282 PolarHBondContact O-N 2.86Å
283	G	28.2	Very low	29.3	Very low	54 Å²	54	101.1 Å²	101.1	56%	0.557	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-55.3	152.4	160.3	0	0	0	0	0	109.6	S281 T285	S281-G283 VanDerWaalsContact C-N 3.29Å; S281-G283 PolarHBondContact O-N 3.06Å; G283-T285 PolarHBondContact O-N 2.98Å; G283-T285 VanDerWaalsContact O-N 3.09Å
284	P	29.8	Very low	29.9	Very low	132 Å²	132	96.5 Å²	96.5	86%	0.857	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-53	121.1	-177	21.5	-31.8	0	0	0	109.9	A286	P284-A286 PolarHBondContact O-N 3.23Å; P284-A286 VanDerWaalsContact O-N 3.13Å
285	T	26.5	Very low	30.7	Very low	134 Å²	134	88.5 Å²	88.5	82%	0.822	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.8	116.9	176.8	32.7	0	0	0	0	109.1	G283 Q287	G283-T285 PolarHBondContact O-N 2.98Å; G283-T285 VanDerWaalsContact O-N 3.09Å; T285-Q287 PolarHBondContact O-N 3.32Å; T285-Q287 VanDerWaalsContact O-N 3.1Å
286	A	27	Very low	31.4	Very low	62 Å²	62	92 Å²	92	51%	0.512	57%	0.569	S	S	.	*			trans	-50.1	114.4	174.7	0	0	0	0	0	109.7	Y256 P284	Y256-A286 HydrophobicContact CD1-CB 3.66Å; Y256-A286 HydrophobicContact CE1-CB 3.54Å; P284-A286 PolarHBondContact O-N 3.23Å; P284-A286 VanDerWaalsContact O-N 3.13Å
287	Q	30	Very low	32	Very low	121 Å²	121	88.8 Å²	88.8	57%	0.565	55%	0.552	S	S	*	*			trans	-88.9	133.2	163.4	-84.6	-168.6	-16	0	0	108.3	P257 T285	P257-Q287 WeakPolarHBondContact CD-O 3.37Å; P257-Q287 WeakPolarHBondContact CG-O 3.26Å; T285-Q287 PolarHBondContact O-N 3.32Å; T285-Q287 VanDerWaalsContact O-N 3.1Å
288	T	29.9	Very low	32.4	Very low	40 Å²	40	84.8 Å²	84.8	25%	0.245	52%	0.524	C	S	.	.			trans	-84.3	140.2	178.1	-73.5	0	0	0	0	110.7	E222 S223 T290	E222-T288 WeakPolarHBondContact O-CB 3.47Å; E222-T288 WeakPolarHBondContact O-CG2 3.31Å; E222-T288 PolarHBondContact O-OG1 3.38Å; E222-T288 VanDerWaalsContact O-OG1 3.04Å; S223-T288 WeakPolarHBondContact CA-OG1 3.4Å; S223-T288 WeakPolarHBondContact O-CB 3.31Å; S223-T288 VanDerWaalsContact O-CG2 3.24Å; S223-T288 WeakPolarHBondContact O-CG2 3.3Å; S223-T288 PolarHBondContact O-OG1 3.26Å; T288-T290 PolarHBondContact O-N 3.04Å
289	F	32.6	Very low	33.1	Very low	66 Å²	66	86.4 Å²	86.4	29%	0.289	52%	0.519	S	S	.	.			trans	-57	108.2	157.8	-79.8	-76.7	0	0	0	110.2	P257 D293 I294	P257-F289 HydrophobicContact CB-CD1 4.35Å; P257-F289 HydrophobicContact CB-CD2 3.92Å; P257-F289 HydrophobicContact CB-CE1 3.96Å; P257-F289 HydrophobicContact CB-CE2 3.48Å; P257-F289 VanDerWaalsContact CB-CE2 3.48Å; P257-F289 HydrophobicContact CB-CG 4.34Å; P257-F289 HydrophobicContact CB-CZ 3.53Å; P257-F289 HydrophobicContact CG-CD1 4.43Å; P257-F289 HydrophobicContact CG-CD2 3.55Å; P257-F289 HydrophobicContact CG-CE1 4.49Å; P257-F289 HydrophobicContact CG-CE2 3.63Å; P257-F289 HydrophobicContact CG-CG 4Å; P257-F289 HydrophobicContact CG-CZ 4.14Å; F289-D293 HydrophobicContact CD1-CB 4Å; F289-I294 HydrophobicContact CB-CD1 4.3Å; F289-I294 HydrophobicContact CB-CG1 4.32Å
290	T	34.8	Very low	33.2	Very low	66 Å²	66	84.9 Å²	84.9	41%	0.405	49%	0.489	S	S	.	.			trans	-73.8	160.6	174.6	70.7	0	0	0	0	109.3	T288 K292 D293 I294	T288-T290 PolarHBondContact O-N 3.04Å; T290-K292 PolarHBondContact O-N 2.99Å; T290-K292 VanDerWaalsContact O-N 3.11Å; T290-D293 WeakPolarHBondContact CB-OD2 3.47Å; T290-D293 PolarHBondContact N-OD2 3.31Å; T290-D293 WeakPolarHBondContact O-CB 3.3Å; T290-D293 PolarHBondContact O-N 3.08Å; T290-D293 PolarHBondContact OG1-OD2 3.02Å; T290-I294 PolarHBondContact O-N 3.13Å
291	M	36.8	Very low	33.5	Very low	24 Å²	24	82.4 Å²	82.4	12%	0.118	48%	0.48	C	S	.	.	H	α-helix	trans	-51.6	-39.6	-178.3	-148	58.5	131.4	0	0	113.7	F219 D293 I294 D295 V314 R318	F219-M291 HydrophobicContact CD1-CE 3.43Å; F219-M291 VanDerWaalsContact CD1-CE 3.43Å; F219-M291 HydrophobicContact CD1-SD 3.9Å; F219-M291 HydrophobicContact CE1-CE 3.09Å; F219-M291 HydrophobicContact CE1-SD 3.12Å; F219-M291 WeakPolarHBondContact CE1-SD 3.47Å; F219-M291 HydrophobicContact CE2-SD 4.03Å; F219-M291 HydrophobicContact CG-CE 4.41Å; F219-M291 HydrophobicContact CZ-CE 3.86Å; F219-M291 HydrophobicContact CZ-SD 3.19Å; F219-M291 WeakPolarHBondContact CZ-SD 3.33Å; M291-D293 VanDerWaalsContact C-N 3.27Å; M291-D293 PolarHBondContact O-N 3.16Å; M291-I294 PolarHBondContact O-N 2.82Å; M291-D295 PolarHBondContact O-N 3.38Å; M291-D295 VanDerWaalsContact O-OD2 3.14Å; M291-V314 HydrophobicContact CE-CG1 3.27Å; M291-V314 HydrophobicContact CG-CG1 3.27Å; M291-V314 HydrophobicContact SD-CB 4.43Å; M291-V314 HydrophobicContact SD-CG1 2.94Å; M291-V314 WeakPolarHBondContact SD-CG1 3.31Å; M291-R318 HydrophobicContact CE-CB 3.85Å; M291-R318 HydrophobicContact CE-CG 3.76Å; M291-R318 VanDerWaalsContact CE-NH2 3.3Å
292	K	40.7	Very low	33.4	Very low	154 Å²	154	78.1 Å²	78.1	67%	0.67	45%	0.45	S	S	*	.	H	α-helix	trans	-62.4	-34.4	179.7	-64	-179	178.4	179.3	0	112.4	T290 I294 H296	T290-K292 PolarHBondContact O-N 2.99Å; T290-K292 VanDerWaalsContact O-N 3.11Å; K292-I294 VanDerWaalsContact C-N 3.35Å; K292-H296 PolarHBondContact O-N 3.17Å; K292-H296 PolarHBondContact O-ND1 3.17Å
293	D	39.1	Very low	33.7	Very low	71 Å²	71	82 Å²	82	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-71.4	-37.4	-178.2	-54.6	-47.7	0	0	0	110.4	F289 T290 M291 H296 C297	F289-D293 HydrophobicContact CD1-CB 4Å; T290-D293 WeakPolarHBondContact CB-OD2 3.47Å; T290-D293 PolarHBondContact N-OD2 3.31Å; T290-D293 WeakPolarHBondContact O-CB 3.3Å; T290-D293 PolarHBondContact O-N 3.08Å; T290-D293 PolarHBondContact OG1-OD2 3.02Å; M291-D293 VanDerWaalsContact C-N 3.27Å; M291-D293 PolarHBondContact O-N 3.16Å; D293-H296 PolarHBondContact O-N 3.05Å; D293-C297 PolarHBondContact O-N 2.88Å; D293-C297 PolarHBondContact O-SG 3.38Å
294	I	38.5	Very low	33.9	Very low	14 Å²	14	84.3 Å²	84.3	7%	0.072	45%	0.453	C	S	.	.	H	α-helix	trans	-70.1	-43	177.2	-67.9	170.2	0	0	0	110.5	M57 F219 F289 T290 M291 K292 H296 C297 I298 V314	M57-I294 HydrophobicContact SD-CG2 4.45Å; F219-I294 HydrophobicContact CD2-CD1 3.79Å; F219-I294 HydrophobicContact CE2-CD1 3.18Å; F219-I294 HydrophobicContact CZ-CD1 4.06Å; F289-I294 HydrophobicContact CB-CD1 4.3Å; F289-I294 HydrophobicContact CB-CG1 4.32Å; T290-I294 PolarHBondContact O-N 3.13Å; M291-I294 PolarHBondContact O-N 2.82Å; K292-I294 VanDerWaalsContact C-N 3.35Å; I294-H296 PolarHBondContact O-N 2.79Å; I294-C297 PolarHBondContact O-N 3.21Å; I294-I298 HydrophobicContact CG2-CD1 3.46Å; I294-I298 VanDerWaalsContact CG2-CD1 3.46Å; I294-I298 HydrophobicContact CG2-CG1 3.93Å; I294-I298 WeakPolarHBondContact O-CG1 3.23Å; I294-I298 PolarHBondContact O-N 2.68Å; I294-V314 HydrophobicContact CG2-CG2 3.99Å
295	D	41.1	Very low	33.8	Very low	24 Å²	24	83.4 Å²	83.4	13%	0.128	44%	0.435	C	S	.	.	H	α-helix	trans	-52.6	-39.6	175.6	-78.9	-47.9	0	0	0	112.5	M291 S310 N311 V314	M291-D295 PolarHBondContact O-N 3.38Å; M291-D295 VanDerWaalsContact O-OD2 3.14Å; D295-S310 WeakPolarHBondContact OD1-CB 3.23Å; D295-S310 PolarHBondContact OD1-OG 3.4Å; D295-N311 PolarHBondContact OD1-N 3.25Å; D295-V314 WeakPolarHBondContact OD1-CG2 3.38Å
296	H	40.7	Very low	34	Very low	168 Å²	168	83.2 Å²	83.2	78%	0.778	43%	0.434	S	S	*	.	H	α-helix	trans	-76.4	-24.5	178.8	-74.1	80.2	0	0	0	113.6	K292 D293 I294	K292-H296 PolarHBondContact O-N 3.17Å; K292-H296 PolarHBondContact O-ND1 3.17Å; D293-H296 PolarHBondContact O-N 3.05Å; I294-H296 PolarHBondContact O-N 2.79Å
297	C	36.6	Very low	34.5	Very low	53 Å²	53	85.2 Å²	85.2	36%	0.358	45%	0.451	S	S	.	.	H	α-helix	trans	-94.4	-23.1	-174.3	-64.6	0	0	0	0	113.5	M57 D293 I294 R299	M57-C297 HydrophobicContact CG-CB 4.14Å; M57-C297 HydrophobicContact SD-CB 4.22Å; D293-C297 PolarHBondContact O-N 2.88Å; D293-C297 PolarHBondContact O-SG 3.38Å; I294-C297 PolarHBondContact O-N 3.21Å; C297-R299 PolarHBondContact O-N 3.1Å; C297-R299 VanDerWaalsContact O-N 3.11Å
298	I	36.3	Very low	34.6	Very low	31 Å²	31	84.3 Å²	84.3	16%	0.159	45%	0.446	C	S	.	.			trans	-67.1	110.7	179	-70.6	167.2	0	0	0	109.6	I55 I294 I313 V314	I55-I298 HydrophobicContact CG2-CG2 3.74Å; I294-I298 HydrophobicContact CG2-CD1 3.46Å; I294-I298 VanDerWaalsContact CG2-CD1 3.46Å; I294-I298 HydrophobicContact CG2-CG1 3.93Å; I294-I298 WeakPolarHBondContact O-CG1 3.23Å; I294-I298 PolarHBondContact O-N 2.68Å; I298-I313 HydrophobicContact CD1-CG2 4.17Å; I298-I313 HydrophobicContact CG2-CD1 3.79Å; I298-V314 HydrophobicContact CD1-CG2 3.45Å; I298-V314 VanDerWaalsContact CD1-CG2 3.45Å
299	R	38.7	Very low	35.1	Very low	186 Å²	186	85.8 Å²	85.8	70%	0.702	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.4	164.6	-60.8	-172.8	-165.4	-154.7	4.7	107.7	C297 G301	C297-R299 PolarHBondContact O-N 3.1Å; C297-R299 VanDerWaalsContact O-N 3.11Å; R299-G301 PolarHBondContact O-N 3.22Å
300	R	30.6	Very low	35.7	Very low	79 Å²	79	84.8 Å²	84.8	30%	0.298	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.1	166.5	-87.8	-174.2	164.9	163.4	-1.6	107.3	S302 E308 I313	R300-S302 PolarHBondContact O-N 2.79Å; R300-E308 IonicContact NH1-OE2 3.63Å; R300-E308 PolarHBondContact NH1-OE2 2.9Å; R300-E308 IonicContact NH2-OE2 3.15Å; R300-I313 HydrophobicContact CG-CD1 3.68Å
301	G	32	Very low	36.1	Very low	51 Å²	51	85.6 Å²	85.6	53%	0.526	46%	0.46	S	S	.	.	S	Bend	trans	-72	15.5	-178.3	0	0	0	0	0	115.3	Q143 R299	Q143-G301 PolarHBondContact NE2-O 3.44Å; Q143-G301 PolarHBondContact OE1-O 3.26Å; R299-G301 PolarHBondContact O-N 3.22Å
302	S	27.1	Very low	36.4	Very low	39 Å²	39	88 Å²	88	27%	0.273	47%	0.473	S	S	.	.			trans	-125.6	119.3	-176.5	-171.1	0	0	0	0	111.8	R300 D304	R300-S302 PolarHBondContact O-N 2.79Å; S302-D304 VanDerWaalsContact C-N 3.26Å; S302-D304 PolarHBondContact O-N 2.84Å
303	L	31.3	Very low	36.6	Very low	153 Å²	153	81 Å²	81	80%	0.801	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.9	-173.5	-141.3	96.5	0	0	0	114
304	D	31.6	Very low	36.9	Very low	102 Å²	102	77.8 Å²	77.8	55%	0.545	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	0.9	-166.6	-71.2	-1.8	0	0	0	115.1	Q139 S302 T306	Q139-D304 PolarHBondContact NE2-OD1 3.37Å; Q139-D304 VanDerWaalsContact NE2-OD1 3.13Å; Q139-D304 PolarHBondContact NE2-OD2 3.47Å; Q139-D304 PolarHBondContact OE1-OD2 3.32Å; Q139-D304 VanDerWaalsContact OE1-OD2 3.07Å; S302-D304 VanDerWaalsContact C-N 3.26Å; S302-D304 PolarHBondContact O-N 2.84Å; D304-T306 PolarHBondContact O-N 2.82Å
305	F	27.8	Very low	37.5	Very low	113 Å²	113	81.5 Å²	81.5	50%	0.496	44%	0.443	S	S	.	.	S	Bend	trans	-75.2	122.8	163.3	-76.1	-82.3	0	0	0	107.6	A307	F305-A307 PolarHBondContact O-N 2.81Å
306	T	31.7	Very low	37.9	Very low	131 Å²	131	82.4 Å²	82.4	80%	0.804	45%	0.451	S	S	*	.			trans	-42.7	129.7	159.4	-17.4	0	0	0	0	106	D304 E308	D304-T306 PolarHBondContact O-N 2.82Å; T306-E308 PolarHBondContact O-N 3.34Å
307	A	35.9	Very low	38.2	Very low	103 Å²	103	75.4 Å²	75.4	85%	0.851	42%	0.42	S	S	*	.			trans	-55.8	87.3	-174.9	0	0	0	0	0	109.7	F305	F305-A307 PolarHBondContact O-N 2.81Å
308	E	32.9	Very low	38.9	Very low	102 Å²	102	78 Å²	78	48%	0.477	42%	0.422	S	S	.	.			trans	-64.8	136.5	168	-94.1	-161.9	163.6	0	0	105.6	R300 T306 S310	R300-E308 IonicContact NH1-OE2 3.63Å; R300-E308 PolarHBondContact NH1-OE2 2.9Å; R300-E308 IonicContact NH2-OE2 3.15Å; T306-E308 PolarHBondContact O-N 3.34Å; E308-S310 PolarHBondContact O-N 2.95Å
309	P	39.9	Very low	39.6	Very low	71 Å²	71	79.2 Å²	79.2	46%	0.461	44%	0.442	S	S	.	.			trans	-53.7	131	-177.9	24	-32.1	0	0	0	108.3	N311 D312	P309-N311 HydrophobicContact CB-CB 4.43Å; P309-N311 PolarHBondContact O-N 3.47Å; P309-D312 PolarHBondContact O-N 3.43Å
310	S	44.8	Very low	40.3	Very low	46 Å²	46	77.5 Å²	77.5	32%	0.322	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-30.3	179.2	60.5	0	0	0	0	112.8	D295 E308 D312 I313 V314	D295-S310 WeakPolarHBondContact OD1-CB 3.23Å; D295-S310 PolarHBondContact OD1-OG 3.4Å; E308-S310 PolarHBondContact O-N 2.95Å; S310-D312 VanDerWaalsContact C-N 3.27Å; S310-D312 PolarHBondContact O-N 2.84Å; S310-I313 PolarHBondContact O-N 3.33Å; S310-V314 PolarHBondContact O-N 3.36Å
311	N	43.7	Very low	41.4	Very low	83 Å²	83	77.3 Å²	77.3	44%	0.444	44%	0.444	S	S	.	.	H	α-helix	trans	-48.8	-38.7	173.7	-67.2	-25.2	0	0	0	113.9	D295 P309 I313 V314 E315	D295-N311 PolarHBondContact OD1-N 3.25Å; P309-N311 HydrophobicContact CB-CB 4.43Å; P309-N311 PolarHBondContact O-N 3.47Å; N311-I313 PolarHBondContact O-N 2.92Å; N311-V314 PolarHBondContact O-N 2.94Å; N311-E315 VanDerWaalsContact O-CB 3.27Å; N311-E315 WeakPolarHBondContact O-CB 3.39Å; N311-E315 VanDerWaalsContact O-CG 3.26Å; N311-E315 WeakPolarHBondContact O-CG 3.43Å; N311-E315 PolarHBondContact O-N 3.41Å
312	D	44.4	Very low	42.2	Very low	74 Å²	74	77 Å²	77	40%	0.396	43%	0.427	S	S	.	.	H	α-helix	trans	-67.3	-38.4	-172.5	-72.3	-26.7	0	0	0	112.3	P309 S310 V314 S316	P309-D312 PolarHBondContact O-N 3.43Å; S310-D312 VanDerWaalsContact C-N 3.27Å; S310-D312 PolarHBondContact O-N 2.84Å; D312-V314 VanDerWaalsContact C-N 3.33Å; D312-S316 WeakPolarHBondContact O-CB 3.4Å; D312-S316 PolarHBondContact O-N 2.76Å
313	I	44.5	Very low	43	Very low	6 Å²	6	79.1 Å²	79.1	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-63	-48.7	175.4	-58.8	165.6	0	0	0	109.3	I55 I298 R300 S310 N311 S316 I317	I55-I313 HydrophobicContact CD1-CD1 4.45Å; I55-I313 HydrophobicContact CD1-CG2 3.56Å; I298-I313 HydrophobicContact CD1-CG2 4.17Å; I298-I313 HydrophobicContact CG2-CD1 3.79Å; R300-I313 HydrophobicContact CG-CD1 3.68Å; S310-I313 PolarHBondContact O-N 3.33Å; N311-I313 PolarHBondContact O-N 2.92Å; I313-S316 WeakPolarHBondContact O-CB 3.23Å; I313-S316 PolarHBondContact O-N 3.46Å; I313-S316 VanDerWaalsContact O-N 3.11Å; I313-S316 PolarHBondContact O-OG 3.25Å; I313-I317 HydrophobicContact CG2-CD1 3.95Å; I313-I317 WeakPolarHBondContact O-CG1 3.25Å; I313-I317 PolarHBondContact O-N 3.44Å; I313-I317 VanDerWaalsContact O-N 3.17Å
314	V	45.3	Very low	43.7	Very low	5 Å²	5	71.9 Å²	71.9	3%	0.03	40%	0.402	C	S	.	.	H	α-helix	trans	-69.5	-40.9	-171.5	173.3	0	0	0	0	110.4	M291 I294 D295 I298 S310 N311 D312 I317 R318	M291-V314 HydrophobicContact CE-CG1 3.27Å; M291-V314 HydrophobicContact CG-CG1 3.27Å; M291-V314 HydrophobicContact SD-CB 4.43Å; M291-V314 HydrophobicContact SD-CG1 2.94Å; M291-V314 WeakPolarHBondContact SD-CG1 3.31Å; I294-V314 HydrophobicContact CG2-CG2 3.99Å; D295-V314 WeakPolarHBondContact OD1-CG2 3.38Å; I298-V314 HydrophobicContact CD1-CG2 3.45Å; I298-V314 VanDerWaalsContact CD1-CG2 3.45Å; S310-V314 PolarHBondContact O-N 3.36Å; N311-V314 PolarHBondContact O-N 2.94Å; D312-V314 VanDerWaalsContact C-N 3.33Å; V314-I317 PolarHBondContact O-N 2.84Å; V314-R318 WeakPolarHBondContact O-CB 3.29Å; V314-R318 PolarHBondContact O-N 2.69Å
315	E	50.4	Low	44.4	Very low	92 Å²	92	69.6 Å²	69.6	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-64.6	-35.4	168.6	-70.3	-55.5	139.3	0	0	112.4	N311 I317 R318	N311-E315 VanDerWaalsContact O-CB 3.27Å; N311-E315 WeakPolarHBondContact O-CB 3.39Å; N311-E315 VanDerWaalsContact O-CG 3.26Å; N311-E315 WeakPolarHBondContact O-CG 3.43Å; N311-E315 PolarHBondContact O-N 3.41Å; E315-I317 PolarHBondContact O-N 2.83Å; E315-R318 VanDerWaalsContact CD-NE 3.31Å; E315-R318 PolarHBondContact O-N 3.07Å; E315-R318 IonicContact OE1-CZ 3.11Å; E315-R318 IonicContact OE1-NE 2.86Å; E315-R318 PolarHBondContact OE1-NE 2.99Å; E315-R318 IonicContact OE1-NH2 2.69Å; E315-R318 PolarHBondContact OE1-NH2 3.34Å; E315-R318 WeakPolarHBondContact OE2-CD 3.15Å; E315-R318 IonicContact OE2-CZ 3.95Å; E315-R318 IonicContact OE2-NE 3.06Å; E315-R318 PolarHBondContact OE2-NE 3.14Å
316	S	49.1	Very low	45.4	Very low	43 Å²	43	64.6 Å²	64.6	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-20.3	178.2	83.1	0	0	0	0	114.1	D312 I313 R322	D312-S316 WeakPolarHBondContact O-CB 3.4Å; D312-S316 PolarHBondContact O-N 2.76Å; I313-S316 WeakPolarHBondContact O-CB 3.23Å; I313-S316 PolarHBondContact O-N 3.46Å; I313-S316 VanDerWaalsContact O-N 3.11Å; I313-S316 PolarHBondContact O-OG 3.25Å; S316-R322 PolarHBondContact O-NH2 3.24Å
317	I	46.9	Very low	46.1	Very low	21 Å²	21	59.1 Å²	59.1	11%	0.108	33%	0.332	C	S	.	.	H	α-helix	trans	-100.8	-25.9	177.6	-55.4	165.2	0	0	0	110.6	F219 I313 V314 E315 G319 R320 R322	F219-I317 HydrophobicContact CB-CG2 3.98Å; I313-I317 HydrophobicContact CG2-CD1 3.95Å; I313-I317 WeakPolarHBondContact O-CG1 3.25Å; I313-I317 PolarHBondContact O-N 3.44Å; I313-I317 VanDerWaalsContact O-N 3.17Å; V314-I317 PolarHBondContact O-N 2.84Å; E315-I317 PolarHBondContact O-N 2.83Å; I317-G319 PolarHBondContact O-N 3.41Å; I317-G319 VanDerWaalsContact O-N 3.13Å; I317-R320 PolarHBondContact O-N 3.01Å; I317-R320 VanDerWaalsContact O-O 3.14Å; I317-R322 HydrophobicContact CG1-CG 4.39Å; I317-R322 HydrophobicContact CG2-CG 4.19Å
318	R	52	Low	46.5	Very low	106 Å²	106	55.3 Å²	55.3	40%	0.4	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-51.9	118.8	-179.8	-167.6	-168.7	-74.2	-112.1	2.8	111	F219 M291 V314 E315 R320	F219-R318 HydrophobicContact CD1-CB 4.4Å; F219-R318 HydrophobicContact CD1-CG 4.21Å; M291-R318 HydrophobicContact CE-CB 3.85Å; M291-R318 HydrophobicContact CE-CG 3.76Å; M291-R318 VanDerWaalsContact CE-NH2 3.3Å; V314-R318 WeakPolarHBondContact O-CB 3.29Å; V314-R318 PolarHBondContact O-N 2.69Å; E315-R318 VanDerWaalsContact CD-NE 3.31Å; E315-R318 PolarHBondContact O-N 3.07Å; E315-R318 IonicContact OE1-CZ 3.11Å; E315-R318 IonicContact OE1-NE 2.86Å; E315-R318 PolarHBondContact OE1-NE 2.99Å; E315-R318 IonicContact OE1-NH2 2.69Å; E315-R318 PolarHBondContact OE1-NH2 3.34Å; E315-R318 WeakPolarHBondContact OE2-CD 3.15Å; E315-R318 IonicContact OE2-CZ 3.95Å; E315-R318 IonicContact OE2-NE 3.06Å; E315-R318 PolarHBondContact OE2-NE 3.14Å; R318-R320 PolarHBondContact O-N 2.94Å
319	G	51.9	Low	46.9	Very low	58 Å²	58	50.6 Å²	50.6	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	0.6	179.6	0	0	0	0	0	115.9	F219 I317	F219-G319 PolarHBondContact O-N 2.93Å; I317-G319 PolarHBondContact O-N 3.41Å; I317-G319 VanDerWaalsContact O-N 3.13Å
320	R	51.9	Low	46.8	Very low	149 Å²	149	48.2 Å²	48.2	56%	0.562	26%	0.259	S	S	*	.			trans	-111.3	139.2	178.9	-61.1	-175.5	-174.9	177.8	2.5	110.7	I317 R318	I317-R320 PolarHBondContact O-N 3.01Å; I317-R320 VanDerWaalsContact O-O 3.14Å; R318-R320 PolarHBondContact O-N 2.94Å
321	T	53.5	Low	46.6	Very low	76 Å²	76	51.6 Å²	51.6	47%	0.466	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.1	169.1	-53.3	0	0	0	0	108.9	K216 A217 K218	K216-T321 HydrophobicContact CB-CG2 3.7Å; K216-T321 HydrophobicContact CD-CG2 4.31Å; K216-T321 HydrophobicContact CG-CG2 4.19Å; A217-T321 CarbonylContact O-C 3.45Å; A217-T321 VanDerWaalsContact O-CA 3.27Å; A217-T321 WeakPolarHBondContact O-CA 3.31Å; K218-T321 HydrophobicContact CB-CG2 4.47Å
322	R	50	Low	46.2	Very low	44 Å²	44	49.5 Å²	49.5	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.6	-179.4	-66.3	-68.1	-171.1	155.3	4.5	111	S98 K216 A217 S316 I317	S98-R322 PolarHBondContact OG-NH1 3.25Å; K216-R322 CarbonylContact C-O 3.48Å; K216-R322 WeakPolarHBondContact CA-O 3.46Å; A217-R322 PolarHBondContact N-O 2.72Å; A217-R322 PolarHBondContact O-N 3.3Å; S316-R322 PolarHBondContact O-NH2 3.24Å; I317-R322 HydrophobicContact CG1-CG 4.39Å; I317-R322 HydrophobicContact CG2-CG 4.19Å
323	P	43	Very low	45.5	Very low	83 Å²	83	50.8 Å²	50.8	54%	0.539	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	145.8	170.2	30.8	-33.5	0	0	0	110.3	P96 V215	P96-P323 WeakPolarHBondContact CD-O 3.47Å; V215-P323 CarbonylContact O-C 3.55Å; V215-P323 WeakPolarHBondContact O-CA 3.43Å
324	G	47.2	Very low	44.8	Very low	2 Å²	2	59.5 Å²	59.5	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-171.7	178.6	0	0	0	0	0	111.5	I94 P214 V215	I94-G324 CarbonylContact O-C 3.53Å; I94-G324 WeakPolarHBondContact O-CA 3.23Å; P214-G324 WeakPolarHBondContact CA-O 3.07Å; V215-G324 PolarHBondContact N-O 3.4Å; V215-G324 PolarHBondContact O-N 2.91Å; V215-G324 VanDerWaalsContact O-O 3.11Å
325	F	46.3	Very low	44.3	Very low	53 Å²	53	65.3 Å²	65.3	23%	0.232	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.3	179.4	-58	-92.4	0	0	0	111.9	L47 F93 I94 L212 V213 P214	L47-F325 HydrophobicContact CD2-CE1 4.38Å; L47-F325 HydrophobicContact CD2-CZ 4.37Å; F93-F325 WeakPolarHBondContact CA-O 3.46Å; I94-F325 HydrophobicContact CB-CB 4.24Å; I94-F325 HydrophobicContact CG2-CD2 4.27Å; I94-F325 PolarHBondContact N-O 2.73Å; I94-F325 PolarHBondContact O-N 3.2Å; L212-F325 HydrophobicContact CD1-CB 3.7Å; L212-F325 HydrophobicContact CD1-CG 4.43Å; L212-F325 HydrophobicContact CD2-CB 4.25Å; L212-F325 HydrophobicContact CD2-CD1 3.82Å; L212-F325 HydrophobicContact CD2-CE1 4.39Å; L212-F325 HydrophobicContact CD2-CG 4.08Å; L212-F325 HydrophobicContact CG-CB 3.86Å; L212-F325 HydrophobicContact CG-CD1 3.91Å; L212-F325 HydrophobicContact CG-CG 4.15Å; V213-F325 CarbonylContact O-C 3.6Å; V213-F325 VanDerWaalsContact O-CA 3.31Å; V213-F325 WeakPolarHBondContact O-CA 3.34Å; P214-F325 HydrophobicContact CB-CD1 4.18Å; P214-F325 HydrophobicContact CB-CE1 4.08Å
326	V	49	Very low	43.5	Very low	8 Å²	8	66.6 Å²	66.6	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.4	173.8	-174.5	0	0	0	0	109.3	C90 F93 L212 V213 V215 L227 L328	C90-V326 HydrophobicContact CB-CG1 4.34Å; C90-V326 WeakPolarHBondContact SG-CG1 3.45Å; F93-V326 HydrophobicContact CD1-CG1 4.5Å; F93-V326 HydrophobicContact CD1-CG2 3.75Å; F93-V326 HydrophobicContact CE1-CG1 4.08Å; F93-V326 HydrophobicContact CE1-CG2 3.75Å; L212-V326 WeakPolarHBondContact CA-O 3.43Å; V213-V326 PolarHBondContact N-O 3.16Å; V213-V326 PolarHBondContact O-N 3.11Å; V215-V326 HydrophobicContact CB-CG2 4.15Å; V215-V326 HydrophobicContact CG1-CB 4.38Å; V215-V326 HydrophobicContact CG1-CG2 3.44Å; V215-V326 VanDerWaalsContact CG1-CG2 3.44Å; V215-V326 HydrophobicContact CG2-CG2 3.62Å; L227-V326 HydrophobicContact CD1-CG2 4.3Å; V326-L328 HydrophobicContact CB-CG 4.47Å; V326-L328 HydrophobicContact CG1-CD2 3.61Å; V326-L328 HydrophobicContact CG1-CG 3.93Å
327	L	46.3	Very low	43	Very low	17 Å²	17	68.9 Å²	68.9	9%	0.089	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112	166.4	-81.7	132.2	0	0	0	109.8	L41 Y56 C90 H91 G92 I94 T210 L212	L41-L327 HydrophobicContact CD1-CD2 3.37Å; L41-L327 HydrophobicContact CD2-CD2 4.14Å; L41-L327 HydrophobicContact CG-CD2 4.37Å; Y56-L327 HydrophobicContact CE2-CD1 4.01Å; C90-L327 WeakPolarHBondContact CA-O 2.94Å; H91-L327 HydrophobicContact CB-CB 4.11Å; H91-L327 PolarHBondContact N-O 3.28Å; G92-L327 PolarHBondContact O-N 3.16Å; I94-L327 HydrophobicContact CD1-CD1 4.01Å; T210-L327 HydrophobicContact CG2-CD2 3.9Å; L212-L327 HydrophobicContact CD1-CG 4.16Å
328	L	44	Very low	42.5	Very low	22 Å²	22	76 Å²	76	12%	0.115	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.6	178.2	-64.4	-178	0	0	0	110.7	I89 C90 T210 F211 V213 V326	I89-L328 WeakPolarHBondContact O-CA 3.12Å; C90-L328 HydrophobicContact CB-CD2 3.9Å; T210-L328 CarbonylContact C-O 3.49Å; T210-L328 WeakPolarHBondContact CA-O 3.44Å; F211-L328 PolarHBondContact N-O 3.39Å; F211-L328 PolarHBondContact O-N 3.39Å; V213-L328 HydrophobicContact CB-CD1 4.19Å; V213-L328 HydrophobicContact CG2-CD1 3.67Å; V213-L328 HydrophobicContact CG2-CG 4.22Å; V326-L328 HydrophobicContact CB-CG 4.47Å; V326-L328 HydrophobicContact CG1-CD2 3.61Å; V326-L328 HydrophobicContact CG1-CG 3.93Å
329	S	41	Very low	41.7	Very low	4 Å²	4	78.2 Å²	78.2	3%	0.028	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.3	169.4	-65.7	0	0	0	0	110.6	P88 I89 H91 S209 T210	P88-S329 CarbonylContact C-O 3.57Å; P88-S329 WeakPolarHBondContact CA-O 3.2Å; I89-S329 PolarHBondContact N-O 3.05Å; I89-S329 PolarHBondContact O-N 2.91Å; H91-S329 PolarHBondContact CD2-OG 3.06Å; H91-S329 WeakPolarHBondContact NE2-CB 3.48Å; H91-S329 PolarHBondContact NE2-OG 3.15Å; S209-S329 CarbonylContact O-C 3.57Å; S209-S329 WeakPolarHBondContact O-CA 3.44Å; T210-S329 PolarHBondContact OG1-OG 3.03Å; T210-S329 VanDerWaalsContact OG1-OG 3.07Å
330	V	38.7	Very low	40.8	Very low	20 Å²	20	85 Å²	85	12%	0.121	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.5	178.9	-175	0	0	0	0	108.6	Y85 P88 M208 S209 F211	Y85-V330 HydrophobicContact CD1-CG1 3.84Å; Y85-V330 HydrophobicContact CG-CG1 4.39Å; P88-V330 HydrophobicContact CB-CG2 4.21Å; M208-V330 WeakPolarHBondContact CA-O 3.38Å; S209-V330 PolarHBondContact N-O 2.99Å; S209-V330 PolarHBondContact O-N 3.15Å; F211-V330 HydrophobicContact CD2-CB 4.44Å; F211-V330 HydrophobicContact CD2-CG2 3.94Å; F211-V330 HydrophobicContact CE2-CB 4.08Å; F211-V330 HydrophobicContact CE2-CG2 4Å
331	R	39.2	Very low	39.7	Very low	118 Å²	118	84.9 Å²	84.9	45%	0.445	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125	173.2	-167.1	-175.7	-168	-157	8.8	109.4	G86 E333	G86-R331 PolarHBondContact N-O 3.13Å; R331-E333 HydrophobicContact CG-CG 4.4Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact NE-OE1 2.65Å; R331-E333 IonicContact NH1-OE1 3.95Å; R331-E333 PolarHBondContact NH1-OE1 3.28Å
332	H	34.8	Very low	38.6	Very low	39 Å²	39	86.1 Å²	86.1	18%	0.181	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.2	171	-63.7	-116.6	0	0	0	108.3	Q83 Y85 D207 S209	Q83-H332 PolarHBondContact OE1-ND1 3.33Å; Q83-H332 VanDerWaalsContact OE1-ND1 3.07Å; Y85-H332 AromaticContact CD1-CE1 3.93Å; Y85-H332 AromaticContact CE1-CE1 3.38Å; Y85-H332 WeakPolarHBondContact CE1-CE1 3.47Å; Y85-H332 AromaticContact CE1-ND1 3.73Å; D207-H332 HydrophobicContact CB-CB 4.14Å; D207-H332 WeakPolarHBondContact O-CB 3.1Å; D207-H332 PolarHBondContact O-CD2 2.87Å; D207-H332 PolarHBondContact O-N 3.09Å; S209-H332 PolarHBondContact OG-NE2 3.47Å
333	E	30.5	Very low	37.7	Very low	100 Å²	100	89.9 Å²	89.9	47%	0.467	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.8	173.1	-70.2	-173	174.1	0	0	109	R331 I335	R331-E333 HydrophobicContact CG-CG 4.4Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact NE-OE1 2.65Å; R331-E333 IonicContact NH1-OE1 3.95Å; R331-E333 PolarHBondContact NH1-OE1 3.28Å; E333-I335 PolarHBondContact O-N 2.89Å
334	K	30	Very low	37	Very low	190 Å²	190	92.5 Å²	92.5	83%	0.826	49%	0.486	S	S	*	.			trans	-83.5	108.2	174.3	-157.4	176.9	-175.9	-177.7	0	107.9	N336	K334-N336 PolarHBondContact O-N 3.29Å; K334-N336 VanDerWaalsContact O-N 3.11Å
335	I	33.9	Very low	36.1	Very low	126 Å²	126	97.5 Å²	97.5	65%	0.646	52%	0.521	S	S	*	.			trans	-75.8	100.6	176.1	-56.2	-179	0	0	0	107.8	S84 E333 A337	S84-I335 WeakPolarHBondContact OG-CD1 3.5Å; E333-I335 PolarHBondContact O-N 2.89Å; I335-A337 PolarHBondContact O-N 2.82Å
336	N	34.6	Very low	35.2	Very low	120 Å²	120	104.5 Å²	104.5	64%	0.642	55%	0.554	S	S	*	*			trans	-65.5	113.8	169.7	-75.8	-17	0	0	0	108.6	K334 E338	K334-N336 PolarHBondContact O-N 3.29Å; K334-N336 VanDerWaalsContact O-N 3.11Å; N336-E338 PolarHBondContact O-N 3.27Å
337	A	38.7	Very low	34.1	Very low	91 Å²	91	113.1 Å²	113.1	75%	0.752	59%	0.591	S	S	*	*			trans	-71.8	9.6	179.9	0	0	0	0	0	114	I335	I335-A337 PolarHBondContact O-N 2.82Å
338	E	36.4	Very low	33.2	Very low	169 Å²	169	120.5 Å²	120.5	79%	0.79	63%	0.625	S	S	*	*			trans	-105.6	78.9	-177.7	-70.5	178.9	169.9	0	0	110.1	N336	N336-E338 PolarHBondContact O-N 3.27Å
339	N	34.1	Very low	32.3	Very low	154 Å²	154	128.4 Å²	128.4	82%	0.824	66%	0.658	S	S	*	*			trans	-165.6	68	147.4	-93.5	-27.6	0	0	0	109.3	I341	N339-I341 PolarHBondContact O-N 2.83Å; N339-I341 VanDerWaalsContact O-N 3.1Å
340	K	33.5	Very low	31.6	Very low	201 Å²	201	136.9 Å²	136.9	87%	0.874	70%	0.698	S	S	*	*			trans	-76.9	76.4	161.4	-68.1	-166.1	-179.5	-173.5	0	109.1
341	I	29.2	Very low	30.9	Very low	145 Å²	145	145.4 Å²	145.4	74%	0.744	74%	0.736	S	S	*	*			trans	-130.7	86.7	159	-51.3	176.2	0	0	0	106.5	N339	N339-I341 PolarHBondContact O-N 2.83Å; N339-I341 VanDerWaalsContact O-N 3.1Å
342	S	29.5	Very low	30.3	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	75%	0.75	S	S	*	*			trans	-53.9	125.5	169	12.5	0	0	0	0	108.9	T344	S342-T344 PolarHBondContact O-N 3.23Å; S342-T344 VanDerWaalsContact O-N 3.08Å
343	P	31.7	Very low	29.7	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	78%	0.783	S	S	*	*			trans	-68.2	113	178.9	26.1	-30.7	0	0	0	108.7	S345	P343-S345 PolarHBondContact O-N 2.94Å
344	T	27.7	Very low	29.7	Very low	138 Å²	138	151.6 Å²	151.6	85%	0.847	80%	0.797	S	S	*	*			trans	-57.9	110.3	170.8	1.9	0	0	0	0	108.4	S342 E346	S342-T344 PolarHBondContact O-N 3.23Å; S342-T344 VanDerWaalsContact O-N 3.08Å; T344-E346 PolarHBondContact O-N 2.72Å; T344-E346 VanDerWaalsContact O-N 3.14Å
345	S	30	Very low	29.4	Very low	107 Å²	107	147 Å²	147	75%	0.748	79%	0.789	S	S	*	*			trans	-67.6	107.2	178.1	62.3	0	0	0	0	110.2	P343 K347	P343-S345 PolarHBondContact O-N 2.94Å; S345-K347 PolarHBondContact O-N 3.29Å
346	E	26.3	Very low	29	Very low	200 Å²	200	148.2 Å²	148.2	94%	0.935	80%	0.795	S	S	*	*			trans	-71.5	91.6	168.2	-75.9	-178	161.2	0	0	109.9	T344	T344-E346 PolarHBondContact O-N 2.72Å; T344-E346 VanDerWaalsContact O-N 3.14Å
347	K	26.1	Very low	28.7	Very low	189 Å²	189	147.8 Å²	147.8	82%	0.822	80%	0.802	S	S	*	*			trans	-120.2	96.2	157.9	-85.5	-174.8	177.9	174.5	0	107.9	S345	S345-K347 PolarHBondContact O-N 3.29Å
348	H	26.5	Very low	28	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.796	80%	0.801	S	S	*	*				174.4	127.8	124.4	-122.9	-87.1	0	0	0	112.3
349	F	26.1	Very low	27.4	Very low	187 Å²	187	146.9 Å²	146.9	82%	0.82	80%	0.803	S	S	*	*			trans	-4.6	126.7	148.5	-73.4	-102	0	0	0	117.9
350	Q	25.4	Very low	27.1	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	80%	0.8	S	S	*	*				-170.9	133.1	102.9	-108.8	-177.2	3.7	0	0	112.8	S352	Q350-S352 PolarHBondContact O-N 3.39Å
351	E	24.9	Very low	26.6	Very low	199 Å²	199	139.3 Å²	139.3	93%	0.93	79%	0.794	S	S	*	*			trans	-35.5	112.7	163.6	-138.4	162.3	-169.8	0	0	113.6
352	S	26.9	Very low	26.7	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	80%	0.8	S	S	*	*			trans	-154.7	112.4	151.7	52.7	0	0	0	0	109.7	Q350 P354	Q350-S352 PolarHBondContact O-N 3.39Å; S352-P354 WeakPolarHBondContact O-CD 3.47Å
353	N	22.9	Very low	26.5	Very low	166 Å²	166	144 Å²	144	89%	0.888	81%	0.805	S	S	*	*			trans	-63.3	135.7	163.1	-74.3	-45.4	0	0	0	108.7
354	P	29.4	Very low	26.4	Very low	116 Å²	116	143.4 Å²	143.4	75%	0.753	80%	0.8	S	S	*	*				-132.7	115.7	122.5	30.4	-16.3	0	0	0	112.2	S352	S352-P354 WeakPolarHBondContact O-CD 3.47Å
355	S	24.5	Very low	26.3	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	80%	0.796	S	S	*	*			trans	6.4	127.4	139.1	53	0	0	0	0	122
356	I	24.7	Very low	26.1	Very low	152 Å²	152	149.2 Å²	149.2	78%	0.779	80%	0.8	S	S	*	*				71.5	110.6	124.6	-52.4	164	0	0	0	119.4
357	S	28.5	Very low	26.1	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	79%	0.787	S	S	*	*				-174.2	84	129.4	49.6	0	0	0	0	109.5
358	T	23.5	Very low	26.2	Very low	121 Å²	121	144.5 Å²	144.5	74%	0.742	79%	0.785	S	S	*	*				46.9	133.7	99.8	-5.9	0	0	0	0	118.5
359	S	24.2	Very low	26.1	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	78%	0.781	S	S	*	*			trans	88.3	134.6	157.6	77.1	0	0	0	0	117
360	A	27.8	Very low	26.4	Very low	91 Å²	91	139.5 Å²	139.5	75%	0.752	78%	0.78	S	S	*	*			cis	-161.1	121.2	-7.6	0	0	0	0	0	105.6
361	S	23.1	Very low	26.5	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	78%	0.776	S	S	*	*				44.1	107.9	97.6	179	0	0	0	0	115.5
362	L	32	Very low	26.9	Very low	169 Å²	169	134.5 Å²	134.5	89%	0.885	77%	0.768	S	S	*	*			trans	-146.6	85.9	131.3	-133.4	112.2	0	0	0	110.2
363	E	25.5	Very low	26.8	Very low	175 Å²	175	134.4 Å²	134.4	82%	0.818	77%	0.767	S	S	*	*			trans	-71.6	145.2	154.4	-68.3	-169.6	149.8	0	0	109.9
364	T	28.9	Very low	27.2	Very low	112 Å²	112	136.9 Å²	136.9	69%	0.687	77%	0.77	S	S	*	*			trans	-172	144.1	139.6	41.3	0	0	0	0	108.1
365	K	25.8	Very low	27.2	Very low	179 Å²	179	141 Å²	141	78%	0.778	78%	0.776	S	S	*	*			cis	-170.1	130.8	-6.2	-108	169.3	-179.7	172.4	0	104.4
366	K	24.2	Very low	27.6	Very low	188 Å²	188	143.5 Å²	143.5	82%	0.817	78%	0.782	S	S	*	*				49.2	134.9	111.3	-77.9	178.1	169.7	170.5	0	115.3
367	T	26.5	Very low	28.1	Very low	109 Å²	109	142.6 Å²	142.6	67%	0.669	79%	0.786	S	S	*	*				-178.2	141.2	69.3	15.7	0	0	0	0	114.7
368	K	29.2	Very low	28	Very low	181 Å²	181	147.7 Å²	147.7	79%	0.787	79%	0.788	S	S	*	*			trans	77.5	115.1	135.1	-66.8	168.1	178.8	178.5	0	119.4
369	S	24.8	Very low	28.5	Very low	102 Å²	102	151.3 Å²	151.3	71%	0.713	79%	0.793	S	S	*	*			cis	80.8	113.1	48.9	79.4	0	0	0	0	115.4
370	I	32.7	Very low	28.7	Very low	153 Å²	153	156.1 Å²	156.1	79%	0.785	79%	0.793	S	S	*	*			trans	-166.2	92	146.4	-52.1	-171.2	0	0	0	108.3
371	T	27.4	Very low	28.8	Very low	126 Å²	126	159.6 Å²	159.6	77%	0.773	80%	0.798	S	S	*	*				35.3	137.8	102	32.6	0	0	0	0	120.6
372	I	31.8	Very low	29.1	Very low	150 Å²	150	163 Å²	163	77%	0.769	80%	0.8	S	S	*	*			trans	153.2	91.6	141.3	-73.7	152.2	0	0	0	108.3
373	S	24.9	Very low	28.9	Very low	102 Å²	102	162.1 Å²	162.1	71%	0.713	79%	0.791	S	S	*	*				63.6	115.3	90.7	-47.5	0	0	0	0	116.7
374	K	32.9	Very low	28.9	Very low	218 Å²	218	160.8 Å²	160.8	95%	0.948	79%	0.786	S	S	*	*			trans	-163.8	151.5	144.3	-102.7	161.1	-167.3	-177	0	111.7
375	K	29.2	Very low	28.8	Very low	203 Å²	203	163.7 Å²	163.7	88%	0.883	79%	0.789	S	S	*	*			trans	-96.6	161	-150.4	-68.1	171	170.2	174.9	0	115.2
376	L	32.8	Very low	28.9	Very low	145 Å²	145	159.6 Å²	159.6	76%	0.759	78%	0.783	S	S	*	*			trans	-41.9	159.4	171.7	-78.7	88.1	0	0	0	117.4	R378	L376-R378 HydrophobicContact CD2-CG 4.23Å
377	P	33.5	Very low	28.8	Very low	133 Å²	133	157.6 Å²	157.6	86%	0.864	78%	0.782	S	S	*	*				-136.6	145.5	117	33.1	-17.5	0	0	0	115.6
378	R	27.6	Very low	29	Very low	219 Å²	219	157 Å²	157	83%	0.826	79%	0.788	S	S	*	*			trans	-81.9	152.8	-177.8	-65.5	163.8	158.3	153	-7.2	113.4	L376	L376-R378 HydrophobicContact CD2-CG 4.23Å
379	K	33.3	Very low	28.8	Very low	198 Å²	198	154.5 Å²	154.5	86%	0.861	78%	0.779	S	S	*	*			trans	-177.3	115.6	132.7	-102.6	163.8	-177.5	180	0	116.1
380	R	29.3	Very low	29.2	Very low	220 Å²	220	158.3 Å²	158.3	83%	0.83	79%	0.79	S	S	*	*			trans	39.1	112.3	138.2	-65.5	168.1	79.5	149.6	1.7	119.1
381	L	28.8	Very low	29.2	Very low	163 Å²	163	160.6 Å²	160.6	85%	0.853	79%	0.789	S	S	*	*				62.8	115.7	66.8	-155.8	94	0	0	0	116.2
382	K	30.9	Very low	29.1	Very low	178 Å²	178	164.7 Å²	164.7	77%	0.774	80%	0.796	S	S	*	*			trans	166.7	140.5	147.3	-95.9	174.5	-176.5	-163.1	0	107.8
383	H	26.7	Very low	29	Very low	151 Å²	151	169 Å²	169	70%	0.699	80%	0.803	S	S	*	*			cis	-173.2	134.5	0.7	-148.3	-109	0	0	0	106.8
384	M	26.7	Very low	29.1	Very low	146 Å²	146	169.1 Å²	169.1	72%	0.719	80%	0.804	S	S	*	*			trans	40	144.2	141.7	-51.4	-147.2	96.3	0	0	121.1
385	K	26.5	Very low	29.2	Very low	173 Å²	173	167.1 Å²	167.1	75%	0.752	80%	0.802	S	S	*	*				179	118.7	51.4	-160.7	155.1	174.9	-176.8	0	106.2
386	S	26.6	Very low	29.1	Very low	94 Å²	94	169 Å²	169	66%	0.657	80%	0.804	S	S	*	*				48.7	148.2	105	88.3	0	0	0	0	114.4
387	D	23.5	Very low	28.7	Very low	146 Å²	146	165.9 Å²	165.9	78%	0.781	81%	0.806	S	S	*	*			cis	-178.8	148.9	7.3	-144.1	-35.2	0	0	0	103.8
388	A	29.9	Very low	28.5	Very low	96 Å²	96	164.5 Å²	164.5	79%	0.793	80%	0.8	S	S	*	*			trans	-178.6	93.2	151.3	0	0	0	0	0	111.2
389	E	24.8	Very low	28.6	Very low	129 Å²	129	160.1 Å²	160.1	60%	0.603	80%	0.803	S	S	*	*			trans	-39	131.5	155.9	-77.3	177.5	103	0	0	113.2	R391	E389-R391 IonicContact OE1-CZ 3.45Å; E389-R391 IonicContact OE1-NE 3.04Å; E389-R391 PolarHBondContact OE1-NE 3.47Å; E389-R391 IonicContact OE1-NH2 2.97Å; E389-R391 PolarHBondContact OE1-NH2 3.01Å; E389-R391 IonicContact OE2-NH2 3.38Å; E389-R391 PolarHBondContact OE2-NH2 2.83Å
390	L	34.1	Very low	28.4	Very low	181 Å²	181	160 Å²	160	95%	0.948	80%	0.803	S	S	*	*			trans	-125.5	116	146.9	-79.8	173.8	0	0	0	109.5
391	R	31	Very low	28.5	Very low	201 Å²	201	155 Å²	155	76%	0.758	80%	0.801	S	S	*	*			trans	-76.2	136.7	-166.3	-70.5	-177	174.8	150.6	4.3	113.1	E389	E389-R391 IonicContact OE1-CZ 3.45Å; E389-R391 IonicContact OE1-NE 3.04Å; E389-R391 PolarHBondContact OE1-NE 3.47Å; E389-R391 IonicContact OE1-NH2 2.97Å; E389-R391 PolarHBondContact OE1-NH2 3.01Å; E389-R391 IonicContact OE2-NH2 3.38Å; E389-R391 PolarHBondContact OE2-NH2 2.83Å
392	K	27	Very low	28.5	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.926	80%	0.802	S	S	*	*			trans	-59.9	136.1	165.4	-65.8	172.9	176.7	178.4	0	111.2
393	R	28.8	Very low	28.6	Very low	240 Å²	240	152.4 Å²	152.4	91%	0.906	80%	0.802	S	S	*	*			trans	-109.9	117.2	162.5	-174.1	172.9	-86.3	163.6	-6	108.8
394	S	27.1	Very low	28.6	Very low	105 Å²	105	157.4 Å²	157.4	73%	0.734	82%	0.815	S	S	*	*			trans	-76.4	134.5	175.9	166.6	0	0	0	0	110.5
395	L	35.2	Very low	28.7	Very low	176 Å²	176	162 Å²	162	92%	0.921	82%	0.824	S	S	*	*			trans	-114.3	128.7	163.9	-76.1	166.2	0	0	0	108.5
396	R	26.3	Very low	28.7	Very low	242 Å²	242	158.5 Å²	158.5	91%	0.913	82%	0.821	S	S	*	*			trans	-121.3	138.4	-165.2	-168.7	-170.1	-157.5	-145.7	7.1	107.9
397	G	25.8	Very low	28.7	Very low	79 Å²	79	161.9 Å²	161.9	81%	0.814	83%	0.827	S	S	*	*			trans	91.8	144.4	162.6	0	0	0	0	0	114.5
398	S	29.5	Very low	28.8	Very low	105 Å²	105	162.3 Å²	162.3	73%	0.734	83%	0.829	S	S	*	*			cis	-149.6	138.1	18.6	65.9	0	0	0	0	111.7	K400	S398-K400 PolarHBondContact O-N 3.17Å
399	S	28.5	Very low	28.7	Very low	126 Å²	126	161.8 Å²	161.8	88%	0.881	83%	0.825	S	S	*	*			trans	-65	117.8	171.7	-24	0	0	0	0	110.8
400	K	30	Very low	28.8	Very low	197 Å²	197	165.3 Å²	165.3	86%	0.857	84%	0.841	S	S	*	*			trans	-91.6	113.1	166.6	-80.6	-179.2	175.9	176.7	0	108.8	S398	S398-K400 PolarHBondContact O-N 3.17Å
401	S	30.5	Very low	28.5	Very low	113 Å²	113	164.5 Å²	164.5	79%	0.79	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-66.3	133.7	173.5	49.7	0	0	0	0	111.7
402	L	28.6	Very low	28.2	Very low	167 Å²	167	159.7 Å²	159.7	87%	0.874	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-61.3	132.8	173.6	-77.8	136.4	0	0	0	112.2
403	P	32.5	Very low	28.3	Very low	121 Å²	121	155.7 Å²	155.7	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-81.6	123.4	168.6	30.9	-27.3	0	0	0	110	R405	P403-R405 PolarHBondContact O-N 3.45Å
404	R	26.9	Very low	28.2	Very low	256 Å²	256	149.1 Å²	149.1	97%	0.966	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-61.7	118	163.6	-77.5	-178.5	172.8	176.7	-2.3	108.9
405	R	28.6	Very low	28.5	Very low	243 Å²	243	150 Å²	150	92%	0.917	82%	0.822	S	S	*	*			trans	-144.8	123.3	153.4	-150.4	174.3	-173.4	-180	0.5	109.7	P403	P403-R405 PolarHBondContact O-N 3.45Å
406	S	27.4	Very low	28.6	Very low	98 Å²	98	147.7 Å²	147.7	69%	0.685	81%	0.814	S	S	*	*			trans	-70.9	160.1	178.3	43.3	0	0	0	0	112.7
407	E	25.9	Very low	29	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	81%	0.813	S	S	*	*			trans	80.4	101.4	161.4	-76.3	176.8	135.9	0	0	118.9
408	N	27	Very low	29.4	Very low	154 Å²	154	146.7 Å²	146.7	82%	0.824	80%	0.802	S	S	*	*				50.5	88.2	121	-56.6	-12	0	0	0	116.6
409	A	28.2	Very low	29.8	Very low	85 Å²	85	146.1 Å²	146.1	70%	0.702	79%	0.794	S	S	*	*			trans	-146.3	124.7	142.2	0	0	0	0	0	107.6	M411	A409-M411 PolarHBondContact O-N 2.8Å
410	E	27	Very low	30.6	Very low	203 Å²	203	146.4 Å²	146.4	95%	0.949	78%	0.782	S	S	*	*			trans	-46	104.5	172.7	-70.6	164.1	127.5	0	0	110
411	M	26.6	Very low	31.2	Very low	165 Å²	165	142.6 Å²	142.6	81%	0.813	77%	0.77	S	S	*	*			trans	-121.5	111.6	168.2	-122.2	83.9	-171.8	0	0	108.3	A409	A409-M411 PolarHBondContact O-N 2.8Å
412	S	25.2	Very low	31.7	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	75%	0.75	S	S	*	*			trans	-22.2	135.9	157	40.3	0	0	0	0	114.3	S414	S412-S414 PolarHBondContact O-N 3.44Å
413	P	28	Very low	32.3	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	73%	0.734	S	S	*	*			trans	-70.2	107.9	-176.5	28.3	-32.2	0	0	0	109.8
414	S	26.9	Very low	32.7	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	72%	0.723	S	S	*	*			trans	-75.1	131.8	162.3	62	0	0	0	0	108.7	S412 V416	S412-S414 PolarHBondContact O-N 3.44Å; S414-V416 PolarHBondContact O-N 3.12Å
415	P	33	Very low	33.3	Very low	124 Å²	124	129.7 Å²	129.7	81%	0.805	71%	0.712	S	S	*	*			trans	-73	125.5	-172.5	28	-32.1	0	0	0	110.4	E417	P415-E417 PolarHBondContact O-N 3.4Å
416	V	38.1	Very low	33.5	Very low	126 Å²	126	124 Å²	124	76%	0.764	70%	0.699	S	S	*	*			trans	-73.2	115	172.7	175.8	0	0	0	0	108.1	S414 L418	S414-V416 PolarHBondContact O-N 3.12Å; V416-L418 PolarHBondContact O-N 3.48Å
417	E	35.1	Very low	33.6	Very low	191 Å²	191	123 Å²	123	89%	0.893	69%	0.692	S	S	*	*			trans	-63.8	114.4	173.4	-78.4	-179.2	147.6	0	0	110	P415	P415-E417 PolarHBondContact O-N 3.4Å
418	L	35	Very low	33.7	Very low	110 Å²	110	121 Å²	121	58%	0.576	69%	0.693	S	S	*	*			trans	-84.1	135	173.6	-69.1	170.4	0	0	0	109.8	V416 D422	V416-L418 PolarHBondContact O-N 3.48Å; L418-D422 HydrophobicContact CB-CB 4.31Å; L418-D422 HydrophobicContact CD2-CB 4.46Å
419	T	37.1	Very low	33.5	Very low	93 Å²	93	122.5 Å²	122.5	57%	0.571	70%	0.695	S	S	*	*			trans	-77.2	156.4	-178.9	32.3	0	0	0	0	112.2	D421 D422 L423	T419-D421 PolarHBondContact O-N 3.01Å; T419-D422 PolarHBondContact N-OD2 2.83Å; T419-D422 WeakPolarHBondContact O-CB 3.36Å; T419-D422 PolarHBondContact O-N 3.39Å; T419-D422 PolarHBondContact OG1-OD2 2.82Å; T419-L423 PolarHBondContact O-N 3.36Å
420	E	44.9	Very low	33.4	Very low	132 Å²	132	122.7 Å²	122.7	62%	0.617	69%	0.691	S	S	*	*	H	α-helix	trans	-54	-28.8	-176.1	-163.8	-172.3	141.1	0	0	113.9	L423 K424	E420-L423 PolarHBondContact O-N 3.1Å; E420-K424 PolarHBondContact O-N 3.42Å; E420-K424 VanDerWaalsContact O-N 3.11Å; E420-K424 WeakPolarHBondContact OE1-CE 3.23Å; E420-K424 IonicContact OE1-NZ 2.73Å; E420-K424 PolarHBondContact OE1-NZ 2.78Å
421	D	43.7	Very low	33.2	Very low	116 Å²	116	124.6 Å²	124.6	62%	0.62	69%	0.69	S	S	*	*	H	α-helix	trans	-71.4	-31.4	176.2	-70.4	-38.7	0	0	0	112.9	T419 L423 K424 A425	T419-D421 PolarHBondContact O-N 3.01Å; D421-L423 VanDerWaalsContact C-N 3.3Å; D421-K424 PolarHBondContact O-N 3.32Å; D421-A425 PolarHBondContact O-N 2.91Å; D421-A425 VanDerWaalsContact O-N 3.14Å
422	D	40.4	Very low	33	Very low	68 Å²	68	125.4 Å²	125.4	36%	0.364	69%	0.689	S	S	.	*	H	α-helix	trans	-67.3	-35.5	172.5	-60.4	-50.6	0	0	0	110.5	L418 T419 A425 L426	L418-D422 HydrophobicContact CB-CB 4.31Å; L418-D422 HydrophobicContact CD2-CB 4.46Å; T419-D422 PolarHBondContact N-OD2 2.83Å; T419-D422 WeakPolarHBondContact O-CB 3.36Å; T419-D422 PolarHBondContact O-N 3.39Å; T419-D422 PolarHBondContact OG1-OD2 2.82Å; D422-A425 PolarHBondContact O-N 2.91Å; D422-L426 WeakPolarHBondContact O-CD1 3.42Å; D422-L426 VanDerWaalsContact O-CG 3.23Å; D422-L426 WeakPolarHBondContact O-CG 3.35Å; D422-L426 PolarHBondContact O-N 3.21Å; D422-L426 VanDerWaalsContact O-N 3.13Å
423	L	41.5	Very low	32.9	Very low	103 Å²	103	131.2 Å²	131.2	54%	0.539	70%	0.696	S	S	.	*	H	α-helix	trans	-69.9	-32.8	176.4	-63	173.9	0	0	0	112.4	T419 E420 D421	T419-L423 PolarHBondContact O-N 3.36Å; E420-L423 PolarHBondContact O-N 3.1Å; D421-L423 VanDerWaalsContact C-N 3.3Å
424	K	41.5	Very low	32.7	Very low	128 Å²	128	130.6 Å²	130.6	56%	0.557	69%	0.69	S	S	*	*	H	α-helix	trans	-70.5	-36.1	174.4	-75.9	173.9	-173.7	152	0	112.1	E420 D421	E420-K424 PolarHBondContact O-N 3.42Å; E420-K424 VanDerWaalsContact O-N 3.11Å; E420-K424 WeakPolarHBondContact OE1-CE 3.23Å; E420-K424 IonicContact OE1-NZ 2.73Å; E420-K424 PolarHBondContact OE1-NZ 2.78Å; D421-K424 PolarHBondContact O-N 3.32Å
425	A	38.9	Very low	32.6	Very low	88 Å²	88	131.2 Å²	131.2	73%	0.727	69%	0.689	S	S	*	*	H	α-helix	trans	-73.8	-25.6	177.2	0	0	0	0	0	113.3	D421 D422 S427	D421-A425 PolarHBondContact O-N 2.91Å; D421-A425 VanDerWaalsContact O-N 3.14Å; D422-A425 PolarHBondContact O-N 2.91Å; A425-S427 VanDerWaalsContact C-N 3.33Å
426	L	31.6	Very low	32.1	Very low	124 Å²	124	136.2 Å²	136.2	65%	0.649	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-4.6	177.6	-70.2	169.4	0	0	0	114.1	D422 P428	D422-L426 WeakPolarHBondContact O-CD1 3.42Å; D422-L426 VanDerWaalsContact O-CG 3.23Å; D422-L426 WeakPolarHBondContact O-CG 3.35Å; D422-L426 PolarHBondContact O-N 3.21Å; D422-L426 VanDerWaalsContact O-N 3.13Å; L426-P428 WeakPolarHBondContact O-CD 3.48Å
427	S	29.5	Very low	31.4	Very low	77 Å²	77	140.1 Å²	140.1	54%	0.538	70%	0.699	S	S	.	*	S	Bend	trans	-75.8	110.6	172.2	-88.1	0	0	0	0	110.1	A425 Q429	A425-S427 VanDerWaalsContact C-N 3.33Å; S427-Q429 PolarHBondContact O-N 2.92Å
428	P	28.1	Very low	30.9	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	69%	0.688	S	S	*	*			trans	-70	101	174.8	2.6	13.9	0	0	0	107.5	L426 S430	L426-P428 WeakPolarHBondContact O-CD 3.48Å; P428-S430 VanDerWaalsContact C-N 3.27Å; P428-S430 PolarHBondContact O-N 3.18Å
429	Q	24.3	Very low	30.5	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	68%	0.682	S	S	*	*			trans	-67.4	89.3	170	-81.5	168.8	-12.7	0	0	108.8	S427 R431	S427-Q429 PolarHBondContact O-N 2.92Å; Q429-R431 PolarHBondContact O-N 3.38Å; Q429-R431 VanDerWaalsContact O-N 3.12Å
430	S	24.4	Very low	30.2	Very low	89 Å²	89	139.1 Å²	139.1	62%	0.622	70%	0.698	S	S	*	*			trans	-69.2	103	174.2	-176.2	0	0	0	0	110	P428 F432	P428-S430 VanDerWaalsContact C-N 3.27Å; P428-S430 PolarHBondContact O-N 3.18Å; S430-F432 WeakPolarHBondContact OG-CD2 3.16Å; S430-F432 WeakPolarHBondContact OG-CE2 3.42Å
431	R	22.7	Very low	29.7	Very low	243 Å²	243	141.3 Å²	141.3	92%	0.917	71%	0.705	S	S	*	*			trans	-94.5	89.7	170.8	-98.9	179.3	153	-177	-4.1	108.7	Q429	Q429-R431 PolarHBondContact O-N 3.38Å; Q429-R431 VanDerWaalsContact O-N 3.12Å
432	F	24	Very low	28.9	Very low	182 Å²	182	142.8 Å²	142.8	80%	0.798	71%	0.709	S	S	*	*			trans	-86.6	128.1	164.1	-75.6	-73.7	0	0	0	110.2	S430	S430-F432 WeakPolarHBondContact OG-CD2 3.16Å; S430-F432 WeakPolarHBondContact OG-CE2 3.42Å
433	R	22.7	Very low	28.2	Very low	221 Å²	221	141.7 Å²	141.7	83%	0.834	71%	0.709	S	S	*	*			trans	-116.4	102.8	-179.4	-160.1	-178.8	-172.3	-175.5	1.7	106.9	T435	R433-T435 PolarHBondContact O-N 3.24Å
434	V	23	Very low	27.8	Very low	116 Å²	116	145.2 Å²	145.2	70%	0.703	72%	0.715	S	S	*	*			trans	-79.3	118	176.6	179.1	0	0	0	0	108.7
435	T	24.8	Very low	27	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	71%	0.713	S	S	*	*			trans	-105.9	1.6	-163.4	22.5	0	0	0	0	117.3	R433	R433-T435 PolarHBondContact O-N 3.24Å
436	R	22.6	Very low	26.4	Very low	229 Å²	229	140.9 Å²	140.9	86%	0.864	69%	0.689	S	S	*	*			trans	-143.8	129.8	-177	-66.7	-168.7	-178.1	-144.8	1.1	114.9
437	F	24.5	Very low	26.2	Very low	208 Å²	208	139.7 Å²	139.7	91%	0.912	69%	0.688	S	S	*	*			trans	-78	142.2	163.3	-72.3	-93.2	0	0	0	109.4	D439	F437-D439 PolarHBondContact O-N 3.09Å; F437-D439 VanDerWaalsContact O-N 3.11Å
438	A	24.3	Very low	26.2	Very low	80 Å²	80	140.7 Å²	140.7	66%	0.661	70%	0.701	S	S	*	*			trans	-55.2	115.7	171.7	0	0	0	0	0	109.2
439	D	26.5	Very low	26.4	Very low	85 Å²	85	144.9 Å²	144.9	46%	0.455	71%	0.707	S	S	.	*			trans	-81.5	167.5	-179.6	69.6	3.9	0	0	0	110.7	F437 K441 Q442	F437-D439 PolarHBondContact O-N 3.09Å; F437-D439 VanDerWaalsContact O-N 3.11Å; D439-K441 PolarHBondContact O-N 3.4Å; D439-K441 VanDerWaalsContact OD1-CB 3.31Å; D439-K441 WeakPolarHBondContact OD1-CB 3.41Å; D439-K441 PolarHBondContact OD1-N 3.02Å; D439-Q442 PolarHBondContact O-N 3.48Å; D439-Q442 VanDerWaalsContact O-N 3.1Å
440	K	31	Very low	26.7	Very low	207 Å²	207	137.5 Å²	137.5	90%	0.9	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-5.8	177.8	-67	-178.8	176.6	-177.1	0	114.5
441	K	32.8	Very low	26.7	Very low	178 Å²	178	137.2 Å²	137.2	77%	0.774	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-11.6	-179.9	-54.9	-178.1	179.5	-179.4	0	113.1	D439 A443	D439-K441 PolarHBondContact O-N 3.4Å; D439-K441 VanDerWaalsContact OD1-CB 3.31Å; D439-K441 WeakPolarHBondContact OD1-CB 3.41Å; D439-K441 PolarHBondContact OD1-N 3.02Å; K441-A443 VanDerWaalsContact C-N 3.31Å; K441-A443 PolarHBondContact O-N 3.07Å
442	Q	28.6	Very low	27	Very low	147 Å²	147	132.3 Å²	132.3	69%	0.687	68%	0.675	S	S	*	*			trans	-95	32	178.7	-64.3	-170.6	-17.9	0	0	113.3	D439 W444	D439-Q442 PolarHBondContact O-N 3.48Å; D439-Q442 VanDerWaalsContact O-N 3.1Å; Q442-W444 PolarHBondContact O-N 2.78Å
443	A	25.2	Very low	27	Very low	46 Å²	46	128.9 Å²	128.9	38%	0.38	67%	0.669	S	S	.	*			trans	-70.5	113.7	171	0	0	0	0	0	110	K441 Y465	K441-A443 VanDerWaalsContact C-N 3.31Å; K441-A443 PolarHBondContact O-N 3.07Å; A443-Y465 VanDerWaalsContact CB-OH 3.31Å; A443-Y465 WeakPolarHBondContact CB-OH 3.46Å
444	W	32.4	Very low	27.2	Very low	176 Å²	176	122.2 Å²	122.2	67%	0.667	65%	0.652	S	S	*	*			trans	-76.3	136.4	-174	178.7	61.3	0	0	0	111.8	Q442 A446 V454	Q442-W444 PolarHBondContact O-N 2.78Å; W444-A446 HydrophobicContact CZ2-CB 4.49Å; W444-V454 HydrophobicContact CE3-CG1 4.35Å; W444-V454 HydrophobicContact CH2-CG2 3.93Å; W444-V454 HydrophobicContact CZ3-CB 4.07Å; W444-V454 HydrophobicContact CZ3-CG1 3.78Å; W444-V454 HydrophobicContact CZ3-CG2 3.69Å
445	I	25.4	Very low	27.2	Very low	100 Å²	100	124 Å²	124	51%	0.513	65%	0.653	S	S	.	*			trans	-120.7	117	172	-57.7	176.2	0	0	0	107.2
446	A	26.8	Very low	27.3	Very low	25 Å²	25	122.8 Å²	122.8	21%	0.207	64%	0.642	C	S	.	*			trans	-66.1	138.2	174.3	0	0	0	0	0	110.3	W444 A448 V454	W444-A446 HydrophobicContact CZ2-CB 4.49Å; A446-A448 PolarHBondContact O-N 3.32Å; A446-V454 HydrophobicContact CB-CG2 4.5Å
447	P	25.8	Very low	27.6	Very low	99 Å²	99	119.5 Å²	119.5	64%	0.643	64%	0.641	S	S	*	*			trans	-61	134.9	179.6	-21.1	31.1	0	0	0	112.1	K449 A450	P447-K449 PolarHBondContact O-N 3.06Å; P447-A450 WeakPolarHBondContact O-CB 3.46Å; P447-A450 PolarHBondContact O-N 3.08Å
448	A	29.4	Very low	27.7	Very low	98 Å²	98	120.8 Å²	120.8	81%	0.81	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-11.9	-171.8	0	0	0	0	0	116.9	A446	A446-A448 PolarHBondContact O-N 3.32Å
449	K	33.6	Very low	27.8	Very low	211 Å²	211	119.8 Å²	119.8	92%	0.917	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-8.9	176	-67.8	-174.3	179.3	-179.4	0	113.8	P447 G451	P447-K449 PolarHBondContact O-N 3.06Å; K449-G451 PolarHBondContact O-N 2.74Å
450	A	29.4	Very low	28	Very low	31 Å²	31	122.7 Å²	122.7	26%	0.256	65%	0.647	S	S	.	*	S	Bend	trans	-75.9	106.5	164.3	0	0	0	0	0	106.2	P447 F452	P447-A450 WeakPolarHBondContact O-CB 3.46Å; P447-A450 PolarHBondContact O-N 3.08Å; A450-F452 HydrophobicContact CB-CD1 4.29Å; A450-F452 HydrophobicContact CB-CD2 4.2Å; A450-F452 HydrophobicContact CB-CE1 3.81Å; A450-F452 HydrophobicContact CB-CE2 3.72Å; A450-F452 HydrophobicContact CB-CG 4.48Å; A450-F452 HydrophobicContact CB-CZ 3.52Å; A450-F452 PolarHBondContact O-N 3.13Å
451	G	25.5	Very low	28.1	Very low	84 Å²	84	121.3 Å²	121.3	87%	0.866	64%	0.64	S	S	*	*	S	Bend	trans	-67.9	43.4	-176.1	0	0	0	0	0	114.4	K449	K449-G451 PolarHBondContact O-N 2.74Å
452	F	28.6	Very low	28.2	Very low	140 Å²	140	117.4 Å²	117.4	61%	0.614	63%	0.628	S	S	*	*			trans	-147.8	125.5	179.8	39.2	-91.3	0	0	0	110.5	A450	A450-F452 HydrophobicContact CB-CD1 4.29Å; A450-F452 HydrophobicContact CB-CD2 4.2Å; A450-F452 HydrophobicContact CB-CE1 3.81Å; A450-F452 HydrophobicContact CB-CE2 3.72Å; A450-F452 HydrophobicContact CB-CG 4.48Å; A450-F452 HydrophobicContact CB-CZ 3.52Å; A450-F452 PolarHBondContact O-N 3.13Å
453	T	25.2	Very low	28.6	Very low	109 Å²	109	113 Å²	113	67%	0.669	61%	0.611	S	S	*	*			trans	-86	114.5	172.7	31.3	0	0	0	0	109.2	H455	T453-H455 PolarHBondContact O-N 3.02Å
454	V	25.5	Very low	29.3	Very low	81 Å²	81	118 Å²	118	49%	0.491	63%	0.627	S	S	.	*			trans	-81	110.8	172.5	179.8	0	0	0	0	107.7	W444 A446 D456	W444-V454 HydrophobicContact CE3-CG1 4.35Å; W444-V454 HydrophobicContact CH2-CG2 3.93Å; W444-V454 HydrophobicContact CZ3-CB 4.07Å; W444-V454 HydrophobicContact CZ3-CG1 3.78Å; W444-V454 HydrophobicContact CZ3-CG2 3.69Å; A446-V454 HydrophobicContact CB-CG2 4.5Å; V454-D456 PolarHBondContact O-N 3.32Å
455	H	23.1	Very low	29.6	Very low	154 Å²	154	113.7 Å²	113.7	71%	0.713	61%	0.611	S	S	*	*			trans	-73.1	111.8	166.5	-89.3	-86	0	0	0	108.7	T453 L457	T453-H455 PolarHBondContact O-N 3.02Å; H455-L457 PolarHBondContact O-N 3.06Å
456	D	27.9	Very low	30.1	Very low	90 Å²	90	110.1 Å²	110.1	48%	0.481	59%	0.594	S	S	.	*			trans	-64.1	103.3	162.6	-177.9	9.7	0	0	0	107.5	V454 W458 T459	V454-D456 PolarHBondContact O-N 3.32Å; D456-W458 PolarHBondContact O-N 3.14Å; D456-T459 VanDerWaalsContact CG-OG1 3.29Å; D456-T459 PolarHBondContact O-N 3.4Å; D456-T459 VanDerWaalsContact OD2-CG2 3.26Å; D456-T459 WeakPolarHBondContact OD2-CG2 3.25Å; D456-T459 PolarHBondContact OD2-OG1 2.94Å
457	L	28.2	Very low	30.7	Very low	160 Å²	160	112.7 Å²	112.7	84%	0.838	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-7.9	-171.3	-77.7	164.5	0	0	0	113.4	H455	H455-L457 PolarHBondContact O-N 3.06Å
458	W	26.8	Very low	31.4	Very low	236 Å²	236	115.3 Å²	115.3	89%	0.894	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-14	-170	-73.3	42.3	0	0	0	113.8	D456	D456-W458 PolarHBondContact O-N 3.14Å
459	T	26.1	Very low	31.7	Very low	58 Å²	58	113.6 Å²	113.6	36%	0.356	58%	0.582	S	S	.	*			trans	-107	96.9	-177	54.2	0	0	0	0	111.5	D456 K461	D456-T459 VanDerWaalsContact CG-OG1 3.29Å; D456-T459 PolarHBondContact O-N 3.4Å; D456-T459 VanDerWaalsContact OD2-CG2 3.26Å; D456-T459 WeakPolarHBondContact OD2-CG2 3.25Å; D456-T459 PolarHBondContact OD2-OG1 2.94Å; T459-K461 PolarHBondContact O-N 3.21Å; T459-K461 VanDerWaalsContact O-N 3.12Å
460	T	30.7	Very low	31.9	Very low	147 Å²	147	105.5 Å²	105.5	90%	0.902	56%	0.555	S	S	*	*	S	Bend	trans	-63.3	-14.6	176.5	52.6	0	0	0	0	113.9
461	K	32.8	Very low	32.4	Very low	177 Å²	177	109.9 Å²	109.9	77%	0.77	57%	0.57	S	S	*	*	S	Bend	trans	-138.1	123.8	173.2	-65	-175.4	179.3	-177.6	0	108.6	T459	T459-K461 PolarHBondContact O-N 3.21Å; T459-K461 VanDerWaalsContact O-N 3.12Å
462	L	36.4	Very low	33	Very low	97 Å²	97	112 Å²	112	51%	0.508	56%	0.557	S	S	.	*			trans	-61.8	137	173.1	-70.7	171.9	0	0	0	109.4	V466 L467	L462-V466 HydrophobicContact CB-CB 4.4Å; L462-V466 HydrophobicContact CB-CG1 4.4Å; L462-V466 HydrophobicContact CD1-CG1 4.36Å; L462-V466 HydrophobicContact CD2-CG1 4.45Å; L462-L467 HydrophobicContact CB-CD2 4.32Å
463	P	37	Very low	33.4	Very low	53 Å²	53	110.8 Å²	110.8	34%	0.344	56%	0.556	S	S	.	*			trans	-55.9	144.1	176.8	-25.9	33.9	0	0	0	112.1	Y465 V466 L467	P463-Y465 HydrophobicContact CB-CD1 3.58Å; P463-Y465 HydrophobicContact CB-CE1 3.46Å; P463-Y465 VanDerWaalsContact CB-CE1 3.46Å; P463-Y465 HydrophobicContact CG-CE1 4Å; P463-Y465 PolarHBondContact O-N 3.16Å; P463-V466 HydrophobicContact CB-CG2 4.23Å; P463-V466 HydrophobicContact CG-CG2 4.34Å; P463-V466 WeakPolarHBondContact O-CA 3.29Å; P463-V466 VanDerWaalsContact O-CB 3.26Å; P463-V466 WeakPolarHBondContact O-CB 3.4Å; P463-V466 PolarHBondContact O-N 2.89Å; P463-L467 PolarHBondContact O-N 3.33Å; P463-L467 VanDerWaalsContact O-N 3.17Å
464	E	38	Very low	34	Very low	152 Å²	152	110 Å²	110	71%	0.71	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-22.6	-172.9	-161.4	161.6	-157.9	0	0	114.3	R468	E464-R468 PolarHBondContact O-N 2.99Å
465	Y	39.1	Very low	34.6	Very low	86 Å²	86	112 Å²	112	34%	0.337	55%	0.55	S	S	.	*	H	α-helix	trans	-72.2	-34.8	170.4	83.8	-90.6	0	0	0	112.1	A443 P463 L467 R468 C469	A443-Y465 VanDerWaalsContact CB-OH 3.31Å; A443-Y465 WeakPolarHBondContact CB-OH 3.46Å; P463-Y465 HydrophobicContact CB-CD1 3.58Å; P463-Y465 HydrophobicContact CB-CE1 3.46Å; P463-Y465 VanDerWaalsContact CB-CE1 3.46Å; P463-Y465 HydrophobicContact CG-CE1 4Å; P463-Y465 PolarHBondContact O-N 3.16Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-R468 PolarHBondContact O-N 3.38Å; Y465-C469 WeakPolarHBondContact O-CB 3.45Å; Y465-C469 PolarHBondContact O-N 3.12Å; Y465-C469 PolarHBondContact O-SG 3.44Å
466	V	36.3	Very low	35.2	Very low	24 Å²	24	109.5 Å²	109.5	15%	0.145	55%	0.55	C	S	.	*	H	α-helix	trans	-65.7	-43.1	174	-178.3	0	0	0	0	109.2	L462 P463 R468 C469 A470	L462-V466 HydrophobicContact CB-CB 4.4Å; L462-V466 HydrophobicContact CB-CG1 4.4Å; L462-V466 HydrophobicContact CD1-CG1 4.36Å; L462-V466 HydrophobicContact CD2-CG1 4.45Å; P463-V466 HydrophobicContact CB-CG2 4.23Å; P463-V466 HydrophobicContact CG-CG2 4.34Å; P463-V466 WeakPolarHBondContact O-CA 3.29Å; P463-V466 VanDerWaalsContact O-CB 3.26Å; P463-V466 WeakPolarHBondContact O-CB 3.4Å; P463-V466 PolarHBondContact O-N 2.89Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-R468 PolarHBondContact O-N 3.44Å; V466-C469 PolarHBondContact O-N 2.89Å; V466-A470 WeakPolarHBondContact O-CB 3.45Å; V466-A470 PolarHBondContact O-N 2.85Å
467	L	38.4	Very low	35.5	Very low	79 Å²	79	107.7 Å²	107.7	41%	0.414	55%	0.553	S	S	.	*	H	α-helix	trans	-58.6	-45.8	173.3	-64.3	177	0	0	0	111.1	L462 P463 Y465 A470 E471	L462-L467 HydrophobicContact CB-CD2 4.32Å; P463-L467 PolarHBondContact O-N 3.33Å; P463-L467 VanDerWaalsContact O-N 3.17Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; L467-A470 PolarHBondContact O-N 2.91Å; L467-E471 WeakPolarHBondContact O-CG 3.11Å; L467-E471 PolarHBondContact O-N 2.93Å
468	R	40.6	Very low	35.5	Very low	154 Å²	154	104.7 Å²	104.7	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-61.9	-43.8	173.7	-81.1	-173.1	-76.9	169.5	-6.9	113	E464 Y465 V466 A470 E471 H472	E464-R468 PolarHBondContact O-N 2.99Å; Y465-R468 PolarHBondContact O-N 3.38Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-R468 PolarHBondContact O-N 3.44Å; R468-A470 VanDerWaalsContact C-N 3.31Å; R468-A470 PolarHBondContact O-N 3.46Å; R468-E471 PolarHBondContact O-N 3.1Å; R468-H472 PolarHBondContact O-CD2 3.45Å; R468-H472 PolarHBondContact O-N 2.65Å
469	C	37.5	Very low	35.8	Very low	62 Å²	62	96.6 Å²	96.6	42%	0.419	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-38.7	176.5	-71.9	0	0	0	0	111.8	Y465 V466 H472 L473	Y465-C469 WeakPolarHBondContact O-CB 3.45Å; Y465-C469 PolarHBondContact O-N 3.12Å; Y465-C469 PolarHBondContact O-SG 3.44Å; V466-C469 PolarHBondContact O-N 2.89Å; C469-H472 PolarHBondContact O-N 2.81Å; C469-L473 WeakPolarHBondContact O-CG 3.37Å; C469-L473 PolarHBondContact O-N 2.85Å
470	A	38	Very low	35.8	Very low	41 Å²	41	102 Å²	102	34%	0.339	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-39.4	174.8	0	0	0	0	0	112.1	V466 L467 R468 L473 K474	V466-A470 WeakPolarHBondContact O-CB 3.45Å; V466-A470 PolarHBondContact O-N 2.85Å; L467-A470 PolarHBondContact O-N 2.91Å; R468-A470 VanDerWaalsContact C-N 3.31Å; R468-A470 PolarHBondContact O-N 3.46Å; A470-L473 WeakPolarHBondContact O-CB 3.2Å; A470-L473 PolarHBondContact O-N 2.84Å; A470-K474 PolarHBondContact O-N 3.18Å
471	E	38.7	Very low	35.7	Very low	124 Å²	124	102.1 Å²	102.1	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-63.2	-40.9	171.1	-76.7	-178.2	164.8	0	0	112	L467 R468 L473 K474 I475	L467-E471 WeakPolarHBondContact O-CG 3.11Å; L467-E471 PolarHBondContact O-N 2.93Å; R468-E471 PolarHBondContact O-N 3.1Å; E471-L473 VanDerWaalsContact C-N 3.28Å; E471-L473 PolarHBondContact O-N 3.1Å; E471-K474 VanDerWaalsContact O-CB 3.31Å; E471-K474 WeakPolarHBondContact O-CB 3.38Å; E471-K474 PolarHBondContact O-N 3.34Å; E471-K474 VanDerWaalsContact O-N 3.12Å; E471-I475 WeakPolarHBondContact O-CG1 3.4Å; E471-I475 PolarHBondContact O-N 3.48Å; E471-I475 VanDerWaalsContact O-N 3.16Å
472	H	38.8	Very low	35.7	Very low	127 Å²	127	101 Å²	101	59%	0.588	56%	0.558	S	S	*	*	H	α-helix	trans	-61.9	-37	173.1	-85	-113.5	0	0	0	111.8	R468 C469 I475 S476	R468-H472 PolarHBondContact O-CD2 3.45Å; R468-H472 PolarHBondContact O-N 2.65Å; C469-H472 PolarHBondContact O-N 2.81Å; H472-I475 PolarHBondContact O-N 3.22Å; H472-S476 PolarHBondContact O-N 3.06Å; H472-S476 PolarHBondContact O-OG 2.97Å
473	L	37.2	Very low	35.3	Very low	115 Å²	115	105.8 Å²	105.8	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-68.7	-32.3	173.4	-71	168.1	0	0	0	112.6	C469 A470 E471 I475 S476 G477	C469-L473 WeakPolarHBondContact O-CG 3.37Å; C469-L473 PolarHBondContact O-N 2.85Å; A470-L473 WeakPolarHBondContact O-CB 3.2Å; A470-L473 PolarHBondContact O-N 2.84Å; E471-L473 VanDerWaalsContact C-N 3.28Å; E471-L473 PolarHBondContact O-N 3.1Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.47Å; L473-S476 PolarHBondContact O-N 3.11Å; L473-G477 PolarHBondContact O-N 3.1Å
474	K	37.3	Very low	34.9	Very low	92 Å²	92	111.4 Å²	111.4	40%	0.4	60%	0.599	S	S	.	*	H	α-helix	trans	-57.7	-42.1	168.5	-89.7	-173.9	165	-178.7	0	111	A470 E471 S478 L494 D495 I498	A470-K474 PolarHBondContact O-N 3.18Å; E471-K474 VanDerWaalsContact O-CB 3.31Å; E471-K474 WeakPolarHBondContact O-CB 3.38Å; E471-K474 PolarHBondContact O-N 3.34Å; E471-K474 VanDerWaalsContact O-N 3.12Å; K474-S478 PolarHBondContact O-OG 3.39Å; K474-L494 HydrophobicContact CG-CD2 4.35Å; K474-D495 IonicContact NZ-OD1 3.39Å; K474-D495 PolarHBondContact NZ-OD1 3.03Å; K474-D495 VanDerWaalsContact NZ-OD1 3.15Å; K474-I498 HydrophobicContact CD-CD1 4.2Å; K474-I498 VanDerWaalsContact NZ-CD1 3.29Å
475	I	37.4	Very low	34.5	Very low	123 Å²	123	113.3 Å²	113.3	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-69.5	-42.6	-179.5	-57.5	166.6	0	0	0	110.7	E471 H472 L473 G477 S478	E471-I475 WeakPolarHBondContact O-CG1 3.4Å; E471-I475 PolarHBondContact O-N 3.48Å; E471-I475 VanDerWaalsContact O-N 3.16Å; H472-I475 PolarHBondContact O-N 3.22Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.47Å; I475-G477 VanDerWaalsContact C-N 3.33Å; I475-G477 PolarHBondContact O-N 3.08Å; I475-S478 PolarHBondContact O-OG 3.06Å; I475-S478 VanDerWaalsContact O-OG 3.08Å
476	S	37.1	Very low	34.1	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	63%	0.634	S	S	*	*	H	α-helix	trans	-75	-17.3	-178.8	-61.3	0	0	0	0	114.6	H472 L473	H472-S476 PolarHBondContact O-N 3.06Å; H472-S476 PolarHBondContact O-OG 2.97Å; L473-S476 PolarHBondContact O-N 3.11Å
477	G	32.3	Very low	33.9	Very low	52 Å²	52	126.7 Å²	126.7	54%	0.536	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	-11	-179.2	0	0	0	0	0	115.7	L473 I475 G479	L473-G477 PolarHBondContact O-N 3.1Å; I475-G477 VanDerWaalsContact C-N 3.33Å; I475-G477 PolarHBondContact O-N 3.08Å; G477-G479 PolarHBondContact O-N 3.48Å
478	S	29.8	Very low	33.4	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-0.8	-172	-37.9	0	0	0	0	115.5	K474 I475	K474-S478 PolarHBondContact O-OG 3.39Å; I475-S478 PolarHBondContact O-OG 3.06Å; I475-S478 VanDerWaalsContact O-OG 3.08Å
479	G	31.5	Very low	32.8	Very low	67 Å²	67	128.1 Å²	128.1	69%	0.691	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-4.2	-174.4	0	0	0	0	0	116.4	G477	G477-G479 PolarHBondContact O-N 3.48Å
480	L	27.5	Very low	32.6	Very low	171 Å²	171	131.5 Å²	131.5	90%	0.895	71%	0.709	S	S	*	*			trans	-128.6	52.4	-174.3	-73.1	168.6	0	0	0	112.4
481	N	27.3	Very low	32.6	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	72%	0.719	S	S	*	*			trans	-80	126.6	150.3	-85.4	-42.3	0	0	0	108.3
482	L	33.3	Very low	32.6	Very low	153 Å²	153	135 Å²	135	80%	0.801	72%	0.72	S	S	*	*	S	Bend	trans	143.8	15	130.3	-130.9	85.6	0	0	0	118.3
483	Q	28.6	Very low	32.6	Very low	197 Å²	197	131.5 Å²	131.5	92%	0.921	71%	0.71	S	S	*	*	S	Bend	trans	-135.8	32.4	172.8	-76.2	-155.1	2.3	0	0	117
484	Q	27.7	Very low	32.7	Very low	172 Å²	172	131 Å²	131	80%	0.804	71%	0.707	S	S	*	*			trans	-121.7	24.1	169.8	-100.7	-179.9	7.1	0	0	114.4	K486	Q484-K486 PolarHBondContact O-N 3.21Å
485	E	31.3	Very low	32.8	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	28.9	-178.2	-135.8	176.4	-155.4	0	0	114.8
486	K	30.5	Very low	32.9	Very low	201 Å²	201	127.3 Å²	127.3	87%	0.874	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	4.1	174	-100.5	-171.4	-177.5	-179.1	0	117.3	Q484	Q484-K486 PolarHBondContact O-N 3.21Å
487	F	31.1	Very low	32.9	Very low	189 Å²	189	126.9 Å²	126.9	83%	0.829	68%	0.682	S	S	*	*	S	Bend	trans	-102.1	120.8	166.2	-79.2	-83.4	0	0	0	108.4
488	G	29.1	Very low	33	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	68%	0.675	S	S	*	*			trans	-46.3	142.4	-164.4	0	0	0	0	0	114.6	I490	G488-I490 PolarHBondContact O-N 3.44Å
489	E	27.8	Very low	33.6	Very low	193 Å²	193	128.6 Å²	128.6	90%	0.902	67%	0.67	S	S	*	*			trans	-14.3	92.4	169.5	-66.7	173.7	165.2	0	0	113.3	P491	E489-P491 WeakPolarHBondContact O-CD 3.11Å
490	I	33.4	Very low	33.9	Very low	134 Å²	134	128.6 Å²	128.6	69%	0.687	67%	0.67	S	S	*	*			trans	-65.1	117.7	165.4	-60.2	168.9	0	0	0	105	G488 Y492	G488-I490 PolarHBondContact O-N 3.44Å; I490-Y492 HydrophobicContact CG2-CD2 4.09Å; I490-Y492 PolarHBondContact O-N 2.91Å
491	P	37.3	Very low	34.2	Very low	83 Å²	83	125 Å²	125	54%	0.539	65%	0.649	S	S	.	*	S	Bend	trans	-80.8	28.2	-166.5	32.4	-34	0	0	0	113	E489 L503	E489-P491 WeakPolarHBondContact O-CD 3.11Å; P491-L503 WeakPolarHBondContact O-CD1 3.45Å
492	Y	38.2	Very low	34.8	Very low	155 Å²	155	120.7 Å²	120.7	61%	0.608	63%	0.63	S	S	*	*			trans	-135.1	110.5	-173.7	-52	-67.8	0	0	0	109.3	I490	I490-Y492 HydrophobicContact CG2-CD2 4.09Å; I490-Y492 PolarHBondContact O-N 2.91Å
493	S	38.7	Very low	34.9	Very low	54 Å²	54	115.9 Å²	115.9	38%	0.378	60%	0.604	S	S	.	*			trans	-81	142.8	166.2	86.9	0	0	0	0	108.7	D495 D496	S493-D495 PolarHBondContact O-N 3.02Å; S493-D495 VanDerWaalsContact O-N 3.17Å; S493-D496 WeakPolarHBondContact CB-OD2 3.48Å; S493-D496 PolarHBondContact N-OD2 3.31Å; S493-D496 WeakPolarHBondContact O-CB 3.31Å; S493-D496 PolarHBondContact O-N 2.98Å; S493-D496 PolarHBondContact OG-N 3.06Å; S493-D496 PolarHBondContact OG-OD2 3.11Å
494	L	40.1	Very low	35.2	Very low	105 Å²	105	109.9 Å²	109.9	55%	0.55	59%	0.589	S	S	.	*	H	α-helix	trans	-58.8	-27.1	176.9	-169.4	71.4	0	0	0	111.8	K474 D496 I497 I498	K474-L494 HydrophobicContact CG-CD2 4.35Å; L494-D496 VanDerWaalsContact C-N 3.33Å; L494-I497 PolarHBondContact O-N 3.22Å; L494-I498 HydrophobicContact CG-CD1 4.2Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 3.21Å; L494-I498 VanDerWaalsContact O-N 3.16Å
495	D	38.6	Very low	35.6	Very low	88 Å²	88	106 Å²	106	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-69.2	-29.9	176.4	-73.1	-34.1	0	0	0	112.3	K474 S493 N499	K474-D495 IonicContact NZ-OD1 3.39Å; K474-D495 PolarHBondContact NZ-OD1 3.03Å; K474-D495 VanDerWaalsContact NZ-OD1 3.15Å; S493-D495 PolarHBondContact O-N 3.02Å; S493-D495 VanDerWaalsContact O-N 3.17Å; D495-N499 WeakPolarHBondContact O-CB 3.47Å; D495-N499 PolarHBondContact O-N 2.92Å; D495-N499 VanDerWaalsContact O-N 3.08Å; D495-N499 PolarHBondContact O-ND2 3.06Å
496	D	39.9	Very low	36.1	Very low	49 Å²	49	102.9 Å²	102.9	26%	0.262	57%	0.565	S	S	.	*	H	α-helix	trans	-67.3	-39.3	174.2	-58.2	-46.7	0	0	0	111.3	S493 L494 G500 H501	S493-D496 WeakPolarHBondContact CB-OD2 3.48Å; S493-D496 PolarHBondContact N-OD2 3.31Å; S493-D496 WeakPolarHBondContact O-CB 3.31Å; S493-D496 PolarHBondContact O-N 2.98Å; S493-D496 PolarHBondContact OG-N 3.06Å; S493-D496 PolarHBondContact OG-OD2 3.11Å; L494-D496 VanDerWaalsContact C-N 3.33Å; D496-G500 PolarHBondContact O-N 3.07Å; D496-G500 VanDerWaalsContact O-N 3.16Å; D496-H501 PolarHBondContact O-N 3.38Å
497	I	37.3	Very low	36.6	Very low	93 Å²	93	101.6 Å²	101.6	48%	0.477	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-43.3	178.4	-60.8	174.1	0	0	0	110.9	L494 G500	L494-I497 PolarHBondContact O-N 3.22Å; I497-G500 PolarHBondContact O-N 3.2Å
498	I	34.5	Very low	36.8	Very low	77 Å²	77	95.6 Å²	95.6	40%	0.395	54%	0.541	S	S	.	.	H	α-helix	trans	-70.4	-38.1	-178.2	-68.9	168.6	0	0	0	111.3	K474 L494 G500	K474-I498 HydrophobicContact CD-CD1 4.2Å; K474-I498 VanDerWaalsContact NZ-CD1 3.29Å; L494-I498 HydrophobicContact CG-CD1 4.2Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 3.21Å; L494-I498 VanDerWaalsContact O-N 3.16Å; I498-G500 PolarHBondContact O-N 3.05Å
499	N	42.1	Very low	36.8	Very low	107 Å²	107	97.2 Å²	97.2	57%	0.572	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.1	179	-66.3	-38	0	0	0	112.8	D495 H501	D495-N499 WeakPolarHBondContact O-CB 3.47Å; D495-N499 PolarHBondContact O-N 2.92Å; D495-N499 VanDerWaalsContact O-N 3.08Å; D495-N499 PolarHBondContact O-ND2 3.06Å; N499-H501 VanDerWaalsContact C-N 3.28Å; N499-H501 VanDerWaalsContact CB-CD2 3.46Å; N499-H501 WeakPolarHBondContact CB-CD2 3.3Å; N499-H501 PolarHBondContact O-CD2 2.83Å; N499-H501 PolarHBondContact O-N 3.25Å
500	G	37.1	Very low	37	Very low	67 Å²	67	94.2 Å²	94.2	69%	0.691	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	22.3	178	0	0	0	0	0	113.8	D496 I497 I498	D496-G500 PolarHBondContact O-N 3.07Å; D496-G500 VanDerWaalsContact O-N 3.16Å; I497-G500 PolarHBondContact O-N 3.2Å; I498-G500 PolarHBondContact O-N 3.05Å
501	H	34.9	Very low	36.9	Very low	96 Å²	96	96.1 Å²	96.1	44%	0.444	54%	0.542	S	S	.	.			trans	-87.2	111.9	176.1	-69.9	-88.4	0	0	0	109.7	D496 N499 E506	D496-H501 PolarHBondContact O-N 3.38Å; N499-H501 VanDerWaalsContact C-N 3.28Å; N499-H501 VanDerWaalsContact CB-CD2 3.46Å; N499-H501 WeakPolarHBondContact CB-CD2 3.3Å; N499-H501 PolarHBondContact O-CD2 2.83Å; N499-H501 PolarHBondContact O-N 3.25Å; H501-E506 IonicContact ND1-OE1 3.73Å
502	C	40.1	Very low	36.3	Very low	60 Å²	60	98 Å²	98	41%	0.405	55%	0.554	S	S	.	*			trans	-91.9	107.5	169.2	179.2	0	0	0	0	109.2	A504 C505 E506	C502-A504 PolarHBondContact O-N 3.23Å; C502-A504 VanDerWaalsContact O-N 3.17Å; C502-C505 HydrophobicContact CB-CB 3.98Å; C502-C505 WeakPolarHBondContact O-CA 3.49Å; C502-C505 WeakPolarHBondContact O-CB 3.49Å; C502-C505 PolarHBondContact O-N 2.99Å; C502-E506 PolarHBondContact O-N 2.87Å
503	L	34.8	Very low	35.8	Very low	51 Å²	51	94.7 Å²	94.7	27%	0.267	55%	0.553	S	S	.	*	H	α-helix	trans	-57.7	-28.4	177	-79.4	165.3	0	0	0	113	P491 E506 K507	P491-L503 WeakPolarHBondContact O-CD1 3.45Å; L503-E506 PolarHBondContact O-N 3.06Å; L503-K507 WeakPolarHBondContact O-CB 3.32Å; L503-K507 WeakPolarHBondContact O-CG 3.49Å; L503-K507 PolarHBondContact O-N 3.11Å
504	A	34.9	Very low	35.4	Very low	72 Å²	72	96.9 Å²	96.9	60%	0.595	57%	0.568	S	S	*	*	H	α-helix	trans	-68.1	-36.5	174.6	0	0	0	0	0	111.8	C502 S508	C502-A504 PolarHBondContact O-N 3.23Å; C502-A504 VanDerWaalsContact O-N 3.17Å; A504-S508 PolarHBondContact O-N 3.43Å; A504-S508 PolarHBondContact O-OG 3.2Å
505	C	36.4	Very low	34.9	Very low	90 Å²	90	102 Å²	102	61%	0.608	58%	0.582	S	S	*	*	H	α-helix	trans	-74.6	-30.3	175.4	-62.1	0	0	0	0	112.6	C502 S508	C502-C505 HydrophobicContact CB-CB 3.98Å; C502-C505 WeakPolarHBondContact O-CA 3.49Å; C502-C505 WeakPolarHBondContact O-CB 3.49Å; C502-C505 PolarHBondContact O-N 2.99Å; C505-S508 PolarHBondContact O-OG 3.1Å; C505-S508 VanDerWaalsContact O-OG 3.05Å
506	E	41.2	Very low	34.3	Very low	127 Å²	127	103 Å²	103	59%	0.593	59%	0.594	S	S	*	*	H	α-helix	trans	-76.2	-34.5	174.5	-90.3	-174.7	173.4	0	0	113.3	H501 C502 L503	H501-E506 IonicContact ND1-OE1 3.73Å; C502-E506 PolarHBondContact O-N 2.87Å; L503-E506 PolarHBondContact O-N 3.06Å
507	K	41.7	Very low	33.6	Very low	174 Å²	174	107 Å²	107	76%	0.757	61%	0.613	S	S	*	*	H	α-helix	trans	-82.1	-17.5	179.4	-72	-176.8	-179.3	178.8	0	113.6	L503	L503-K507 WeakPolarHBondContact O-CB 3.32Å; L503-K507 WeakPolarHBondContact O-CG 3.49Å; L503-K507 PolarHBondContact O-N 3.11Å
508	S	34.9	Very low	33.3	Very low	63 Å²	63	111.6 Å²	111.6	44%	0.441	63%	0.632	S	S	.	*	S	Bend	trans	-77.1	121.7	170.6	55.4	0	0	0	0	109.5	A504 C505	A504-S508 PolarHBondContact O-N 3.43Å; A504-S508 PolarHBondContact O-OG 3.2Å; C505-S508 PolarHBondContact O-OG 3.1Å; C505-S508 VanDerWaalsContact O-OG 3.05Å
509	P	29.8	Very low	33	Very low	103 Å²	103	116.6 Å²	116.6	67%	0.669	65%	0.654	S	S	*	*			trans	-55.1	146.1	172.9	23.5	-31.1	0	0	0	109	Q511	P509-Q511 PolarHBondContact O-N 3Å
510	P	32.1	Very low	32.5	Very low	130 Å²	130	120.3 Å²	120.3	84%	0.844	67%	0.665	S	S	*	*			trans	-69	81.7	-167.7	29.5	-35	0	0	0	110.1
511	Q	29.8	Very low	32.1	Very low	174 Å²	174	126 Å²	126	81%	0.813	67%	0.671	S	S	*	*			trans	-80.8	120.9	155.4	-74.8	-164.2	-12.6	0	0	106.1	P509 C513	P509-Q511 PolarHBondContact O-N 3Å; Q511-C513 PolarHBondContact O-N 3.19Å
512	P	26	Very low	31.9	Very low	122 Å²	122	125.9 Å²	125.9	79%	0.792	69%	0.687	S	S	*	*			trans	-65.6	104	-176.6	25.5	-31	0	0	0	108.6	S514	P512-S514 PolarHBondContact O-N 2.97Å
513	C	27.6	Very low	31.4	Very low	87 Å²	87	135 Å²	135	59%	0.588	72%	0.723	S	S	*	*			trans	-59.1	120.8	167.4	-170.8	0	0	0	0	107.7	Q511 Y515 C516	Q511-C513 PolarHBondContact O-N 3.19Å; C513-Y515 PolarHBondContact O-N 3.1Å; C513-C516 PolarHBondContact O-N 3.44Å
514	S	29.7	Very low	31.2	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-59.5	-13.2	-174.1	43	0	0	0	0	114	P512	P512-S514 PolarHBondContact O-N 2.97Å
515	Y	29.2	Very low	31	Very low	212 Å²	212	142.7 Å²	142.7	83%	0.831	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-85.4	-6.5	176	-92.4	-85.7	0	0	0	115.4	C513	C513-Y515 PolarHBondContact O-N 3.1Å
516	C	26.9	Very low	30.7	Very low	108 Å²	108	145.6 Å²	145.6	73%	0.73	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-93.4	7.6	173.6	-82.7	0	0	0	0	114.4	C513	C513-C516 PolarHBondContact O-N 3.44Å
517	M	24.9	Very low	30.1	Very low	135 Å²	135	146.7 Å²	146.7	67%	0.665	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.9	-178.1	-77.6	-119.2	-97.6	0	0	115.3	Q519	M517-Q519 PolarHBondContact O-N 3.49Å
518	E	30.1	Very low	29.4	Very low	188 Å²	188	145 Å²	145	88%	0.879	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-81.8	-7.3	-179.5	-83.2	-169.8	152.4	0	0	115.5
519	Q	29.9	Very low	29	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-100	-2.2	176.6	-85.9	-170	1.2	0	0	116	M517	M517-Q519 PolarHBondContact O-N 3.49Å
520	K	30.5	Very low	28.9	Very low	184 Å²	184	153.9 Å²	153.9	80%	0.8	80%	0.804	S	S	*	*	S	Bend	trans	-94.1	-2.5	175	-88.6	-169.4	177.5	-178.8	0	115.6
521	F	29.4	Very low	28.7	Very low	187 Å²	187	155.7 Å²	155.7	82%	0.82	80%	0.801	S	S	*	*	S	Bend	trans	-105.6	17.8	176.8	-79.9	-76	0	0	0	114.8
522	A	31.2	Very low	28.6	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	80%	0.8	S	S	*	*			trans	-121.7	56.1	166	0	0	0	0	0	110.6
523	Q	27.8	Very low	28.8	Very low	251 Å²	251	157.1 Å²	157.1	100%	1.173	80%	0.801	S	S	*	*			trans	-99.1	0	147.1	-79.5	-175.4	-6.8	0	0	107.1

Retrieved 523 of 523 residues in 85.6 ms (Link to these results)

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