A0A3Q0KLD5_SCHMA Loading...

JmjC domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 511 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	27.7	Very low	27.1	Very low	248 Å²	248	145.2 Å²	145.2	100%	1.222	85%	0.854	S	S	*	*				0	143.9	0	-68.9	175.1	-178.6	0	0	107.8
2	T	23.5	Very low	27.1	Very low	146 Å²	146	141.8 Å²	141.8	90%	0.896	84%	0.844	S	S	*	*			trans	-88	133.2	-172.6	43	0	0	0	0	113
3	A	28.1	Very low	27.3	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	85%	0.85	S	S	*	*			trans	-175.2	140.9	158.4	0	0	0	0	0	108.1
4	S	28.4	Very low	27.2	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	84%	0.843	S	S	*	*			cis	-151.8	143.9	-17.4	-77.8	0	0	0	0	107.8	Q6	S4-Q6 PolarHBondContact O-N 2.81Å
5	S	27.7	Very low	27.4	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	84%	0.84	S	S	*	*			trans	-69	119.8	173.6	46	0	0	0	0	111
6	Q	29	Very low	27.3	Very low	188 Å²	188	152.5 Å²	152.5	88%	0.879	84%	0.842	S	S	*	*			trans	-85.9	119.2	170.3	-70	-173.5	-11.8	0	0	110	S4 S8	S4-Q6 PolarHBondContact O-N 2.81Å; Q6-S8 PolarHBondContact O-N 2.82Å
7	N	25.5	Very low	27.3	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	84%	0.843	S	S	*	*			trans	-72.3	114.2	169.2	-71.3	-16	0	0	0	109.2	C9	N7-C9 PolarHBondContact O-N 3.11Å
8	S	28.9	Very low	27.5	Very low	108 Å²	108	151.4 Å²	151.4	76%	0.755	84%	0.837	S	S	*	*			trans	-87.9	100.7	171.4	47.8	0	0	0	0	110.7	Q6 L10	Q6-S8 PolarHBondContact O-N 2.82Å; S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.08Å
9	C	26.8	Very low	27.4	Very low	118 Å²	118	149.8 Å²	149.8	80%	0.797	84%	0.838	S	S	*	*			trans	-68.3	103.1	171.9	-60.4	0	0	0	0	110.4	N7 N11	N7-C9 PolarHBondContact O-N 3.11Å; C9-N11 PolarHBondContact O-N 3.06Å; C9-N11 VanDerWaalsContact O-N 3.12Å
10	L	27.9	Very low	27.6	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	84%	0.835	S	S	*	*			trans	-78.7	87.8	167.8	-74.7	171.7	0	0	0	109.7	S8	S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.08Å
11	N	24.8	Very low	27.6	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	83%	0.831	S	S	*	*			trans	-123.2	152.5	169.5	-116.1	-13.2	0	0	0	109.8	C9	C9-N11 PolarHBondContact O-N 3.06Å; C9-N11 VanDerWaalsContact O-N 3.12Å
12	S	27.4	Very low	28.1	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	81%	0.81	S	S	*	*			trans	79.5	88.7	-177.7	-52.2	0	0	0	0	116.4	D14	S12-D14 PolarHBondContact O-N 2.92Å
13	F	29.5	Very low	28.4	Very low	211 Å²	211	140.1 Å²	140.1	93%	0.925	80%	0.801	S	S	*	*			trans	-75	102.2	148.7	-94.1	-92.8	0	0	0	108.6	I15	F13-I15 PolarHBondContact O-N 3.11Å; F13-I15 VanDerWaalsContact O-N 3.08Å
14	D	25	Very low	28.6	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	81%	0.806	S	S	*	*			trans	-64.4	104.5	176.7	-99.7	-36.8	0	0	0	111.5	S12 R16	S12-D14 PolarHBondContact O-N 2.92Å; D14-R16 VanDerWaalsContact C-N 3.29Å; D14-R16 PolarHBondContact O-N 3.04Å
15	I	30.6	Very low	28.5	Very low	156 Å²	156	149.5 Å²	149.5	80%	0.8	81%	0.813	S	S	*	*			trans	-73.6	89.5	164	-57.1	176	0	0	0	107.2	F13 K17	F13-I15 PolarHBondContact O-N 3.11Å; F13-I15 VanDerWaalsContact O-N 3.08Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.49Å
16	R	26	Very low	28.5	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	81%	0.809	S	S	*	*			trans	-63.5	93.3	172.7	-71.4	-168.5	178.2	-166.7	1.1	110	D14 A18	D14-R16 VanDerWaalsContact C-N 3.29Å; D14-R16 PolarHBondContact O-N 3.04Å; R16-A18 PolarHBondContact O-N 3.46Å
17	K	27.9	Very low	28.4	Very low	196 Å²	196	146.6 Å²	146.6	85%	0.852	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.9	167	-76.3	-177.3	173.4	-179.1	0	109.1	I15 S19	I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.49Å; K17-S19 PolarHBondContact O-N 3.11Å
18	A	29.7	Very low	28.6	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.6	167.8	0	0	0	0	0	109.1	R16 V20	R16-A18 PolarHBondContact O-N 3.46Å; A18-V20 PolarHBondContact O-N 3.35Å
19	S	26.5	Very low	28.5	Very low	121 Å²	121	142.7 Å²	142.7	85%	0.846	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.2	122.8	178	175	0	0	0	0	110.4	K17	K17-S19 PolarHBondContact O-N 3.11Å
20	V	30.9	Very low	28.7	Very low	130 Å²	130	145.3 Å²	145.3	79%	0.788	81%	0.806	S	S	*	*			trans	-127.8	126	167.8	179.3	0	0	0	0	107.8	A18	A18-V20 PolarHBondContact O-N 3.35Å
21	D	27.3	Very low	29.2	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	80%	0.799	S	S	*	*			trans	-73.6	126.3	-174.5	-125.8	-31.5	0	0	0	111.5	S23	D21-S23 PolarHBondContact O-N 2.87Å; D21-S23 VanDerWaalsContact O-N 3.11Å
22	P	39	Very low	30	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	80%	0.801	S	S	*	*			trans	-83.4	89.5	-175.6	33	-33.8	0	0	0	111.4
23	S	28.9	Very low	30.6	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	79%	0.789	S	S	*	*			trans	-141.2	8.8	175.8	60.2	0	0	0	0	116.3	D21	D21-S23 PolarHBondContact O-N 2.87Å; D21-S23 VanDerWaalsContact O-N 3.11Å
24	K	32	Very low	31.1	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	76%	0.757	S	S	*	*			trans	-137.2	73.6	168.3	-73.7	-167.6	176.5	-179.7	0	111.9	G26	K24-G26 PolarHBondContact O-N 3.21Å
25	E	27.4	Very low	31.6	Very low	195 Å²	195	130.3 Å²	130.3	91%	0.911	73%	0.733	S	S	*	*			trans	-69.3	118.9	165.2	-70.5	179.9	129.2	0	0	110
26	G	26.6	Very low	32.3	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	70%	0.698	S	S	*	*			trans	-130.7	47.1	177.5	0	0	0	0	0	111.7	K24 S28	K24-G26 PolarHBondContact O-N 3.21Å; G26-S28 PolarHBondContact O-N 2.93Å
27	L	28.7	Very low	32.9	Very low	171 Å²	171	114.8 Å²	114.8	90%	0.895	67%	0.669	S	S	*	*	S	Bend	trans	31	77.3	159.2	-67	167.7	0	0	0	117.8
28	S	27.8	Very low	33.4	Very low	90 Å²	90	105.5 Å²	105.5	63%	0.629	63%	0.629	S	S	*	*			trans	-169.9	83.4	137	45.9	0	0	0	0	109.6	G26 F30	G26-S28 PolarHBondContact O-N 2.93Å; S28-F30 PolarHBondContact O-N 2.84Å
29	G	28.1	Very low	33.8	Very low	85 Å²	85	105.7 Å²	105.7	88%	0.876	61%	0.611	S	S	*	*			trans	-73	64.7	175.2	0	0	0	0	0	112	S31	G29-S31 PolarHBondContact O-N 3.18Å
30	F	31.4	Very low	34.2	Very low	172 Å²	172	102 Å²	102	75%	0.754	58%	0.584	S	S	*	*			trans	-61.8	108.7	163.1	-75.4	-80.1	0	0	0	107.5	S28 Q32	S28-F30 PolarHBondContact O-N 2.84Å; F30-Q32 PolarHBondContact O-N 3.34Å
31	S	38.6	Very low	34.7	Very low	107 Å²	107	98.5 Å²	98.5	75%	0.748	56%	0.56	S	S	*	*			trans	-63.7	92.1	160.4	45.8	0	0	0	0	107.1	G29 Q33	G29-S31 PolarHBondContact O-N 3.18Å; S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact O-N 3.38Å
32	Q	40.6	Very low	35.3	Very low	181 Å²	181	99.5 Å²	99.5	85%	0.846	56%	0.561	S	S	*	*			trans	-61.6	100.8	171.1	-70.4	-174.5	-3.6	0	0	107.1	F30	F30-Q32 PolarHBondContact O-N 3.34Å
33	Q	40.3	Very low	35.1	Very low	105 Å²	105	97 Å²	97	49%	0.491	55%	0.546	S	S	.	.			trans	-60.8	129.7	166.4	-67.3	-173.6	-4.7	0	0	106.5	S31 A35	S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact O-N 3.38Å; Q33-A35 PolarHBondContact O-N 3.05Å; Q33-A35 VanDerWaalsContact O-N 3.1Å
34	P	39.5	Very low	35.4	Very low	38 Å²	38	93.3 Å²	93.3	25%	0.247	52%	0.52	C	S	.	.			trans	-60.5	121.2	-179.5	24.8	-32.3	0	0	0	108.2	P231 C248	P34-P231 HydrophobicContact CB-CB 3.94Å; P34-P231 HydrophobicContact CB-CG 4.22Å; P34-C248 VanDerWaalsContact O-CA 3.29Å; P34-C248 WeakPolarHBondContact O-CA 3.12Å; P34-C248 WeakPolarHBondContact O-CB 3.41Å; P34-C248 PolarHBondContact O-N 2.96Å
35	A	36.8	Very low	35.5	Very low	30 Å²	30	88.4 Å²	88.4	25%	0.248	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	161	179.5	0	0	0	0	0	110.6	Q33 T245 V246	Q33-A35 PolarHBondContact O-N 3.05Å; Q33-A35 VanDerWaalsContact O-N 3.1Å; A35-T245 HydrophobicContact CB-CG2 3.45Å; A35-T245 VanDerWaalsContact CB-CG2 3.45Å; A35-V246 VanDerWaalsContact CA-O 3.31Å; A35-V246 WeakPolarHBondContact CA-O 3.48Å; A35-V246 WeakPolarHBondContact CB-O 3.47Å
36	F	45.3	Very low	35.9	Very low	14 Å²	14	84.8 Å²	84.8	6%	0.061	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	172.5	67	-90.2	0	0	0	110.9	A38 V213 I229 T245 V246 C248	F36-A38 HydrophobicContact CE2-CB 4.25Å; F36-V213 HydrophobicContact CD2-CG1 3.77Å; F36-V213 HydrophobicContact CD2-CG2 4.4Å; F36-V213 HydrophobicContact CE2-CB 4.31Å; F36-V213 HydrophobicContact CE2-CG1 3.57Å; F36-V213 HydrophobicContact CE2-CG2 3.71Å; F36-V213 HydrophobicContact CZ-CG1 4.33Å; F36-I229 HydrophobicContact CB-CG2 4.15Å; F36-I229 HydrophobicContact CD1-CG2 3.64Å; F36-I229 HydrophobicContact CD2-CG2 4.11Å; F36-I229 HydrophobicContact CE1-CD1 4.22Å; F36-I229 HydrophobicContact CE1-CG2 3.97Å; F36-I229 HydrophobicContact CE2-CG2 4.42Å; F36-I229 HydrophobicContact CG-CG2 3.7Å; F36-I229 HydrophobicContact CZ-CD1 4.2Å; F36-I229 HydrophobicContact CZ-CG2 4.35Å; F36-T245 WeakPolarHBondContact O-CA 3.33Å; F36-V246 HydrophobicContact CD1-CB 4.27Å; F36-V246 HydrophobicContact CD2-CB 4.36Å; F36-V246 HydrophobicContact CE1-CB 3.77Å; F36-V246 HydrophobicContact CE1-CG1 3.74Å; F36-V246 HydrophobicContact CE2-CB 3.85Å; F36-V246 HydrophobicContact CE2-CG1 4.38Å; F36-V246 HydrophobicContact CE2-CG2 4.1Å; F36-V246 HydrophobicContact CZ-CB 3.55Å; F36-V246 HydrophobicContact CZ-CG1 3.61Å; F36-V246 HydrophobicContact CZ-CG2 4.13Å; F36-V246 PolarHBondContact N-O 2.86Å; F36-V246 PolarHBondContact O-N 3.43Å; F36-C248 HydrophobicContact CD1-CB 4.13Å; F36-C248 HydrophobicContact CE1-CB 4.42Å
37	N	37.9	Very low	36.5	Very low	49 Å²	49	83.7 Å²	83.7	26%	0.262	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.7	175.3	-71.3	-18.9	0	0	0	109.7	Y39 P243 T245	N37-Y39 HydrophobicContact CB-CE2 4.32Å; N37-P243 HydrophobicContact CB-CB 3.8Å; N37-T245 PolarHBondContact OD1-OG1 3.32Å
38	A	37.8	Very low	37	Very low	1 Å²	1	77.6 Å²	77.6	1%	0.008	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.7	172.6	0	0	0	0	0	108.8	F36 F211 V213 V244 V246	F36-A38 HydrophobicContact CE2-CB 4.25Å; A38-F211 HydrophobicContact CB-CB 3.99Å; A38-F211 HydrophobicContact CB-CD1 3.7Å; A38-F211 HydrophobicContact CB-CE1 4.46Å; A38-F211 HydrophobicContact CB-CG 3.99Å; A38-V213 HydrophobicContact CB-CG2 4.22Å; A38-V244 PolarHBondContact N-O 2.89Å; A38-V244 PolarHBondContact O-N 3.25Å; A38-V244 VanDerWaalsContact O-N 3.14Å; A38-V246 HydrophobicContact CB-CG2 4Å
39	Y	39.1	Very low	37.3	Very low	93 Å²	93	76.4 Å²	76.4	37%	0.365	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.2	-177.7	-61.8	-86.3	0	0	0	110.2	N37 L41 F211 L212 P243	N37-Y39 HydrophobicContact CB-CE2 4.32Å; Y39-L41 PolarHBondContact O-N 2.97Å; Y39-F211 WeakPolarHBondContact O-CA 3.31Å; Y39-L212 PolarHBondContact N-O 2.85Å; Y39-L212 VanDerWaalsContact N-O 3.11Å; Y39-L212 PolarHBondContact O-N 3.08Å; Y39-P243 HydrophobicContact CE1-CB 4.43Å
40	P	34.9	Very low	37.5	Very low	43 Å²	43	74 Å²	74	28%	0.279	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	130	170.3	-20.7	32	0	0	0	110	E42 S43	P40-E42 PolarHBondContact O-N 3.08Å; P40-S43 WeakPolarHBondContact O-CB 3.5Å; P40-S43 PolarHBondContact O-N 2.83Å; P40-S43 PolarHBondContact O-OG 3.5Å
41	L	40	Very low	37.7	Very low	57 Å²	57	71.3 Å²	71.3	30%	0.298	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-57.5	-38.3	-176	-168.1	66.2	0	0	0	112.1	Y39 S43 S44 T210 L327	Y39-L41 PolarHBondContact O-N 2.97Å; L41-S43 PolarHBondContact O-N 3.02Å; L41-S43 VanDerWaalsContact O-N 3.1Å; L41-S44 PolarHBondContact O-N 2.96Å; L41-S44 PolarHBondContact O-OG 2.9Å; L41-T210 PolarHBondContact N-O 2.82Å; L41-L327 HydrophobicContact CD1-CD2 3.77Å; L41-L327 HydrophobicContact CD2-CD2 4.17Å
42	E	41.3	Very low	37.3	Very low	162 Å²	162	69.3 Å²	69.3	76%	0.757	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.4	175.1	-60	179.6	177.5	0	0	113.9	P40	P40-E42 PolarHBondContact O-N 3.08Å
43	S	34.1	Very low	37.1	Very low	66 Å²	66	62.6 Å²	62.6	46%	0.462	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-88.9	2.5	-178.9	70.2	0	0	0	0	114.4	P40 L41 P45	P40-S43 WeakPolarHBondContact O-CB 3.5Å; P40-S43 PolarHBondContact O-N 2.83Å; P40-S43 PolarHBondContact O-OG 3.5Å; L41-S43 PolarHBondContact O-N 3.02Å; L41-S43 VanDerWaalsContact O-N 3.1Å; S43-P45 VanDerWaalsContact C-CD 3.48Å
44	S	34.3	Very low	36.7	Very low	24 Å²	24	58.9 Å²	58.9	17%	0.168	33%	0.33	C	S	.	.			trans	-129.7	54.8	-165.4	64.2	0	0	0	0	115.7	L41 N46 L47	L41-S44 PolarHBondContact O-N 2.96Å; L41-S44 PolarHBondContact O-OG 2.9Å; S44-N46 PolarHBondContact O-N 2.86Å; S44-L47 PolarHBondContact O-N 3.35Å
45	P	34.8	Very low	36.6	Very low	104 Å²	104	59.4 Å²	59.4	68%	0.675	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23	176.8	26.8	-35.5	0	0	0	113.3	S43 L47	S43-P45 VanDerWaalsContact C-CD 3.48Å; P45-L47 VanDerWaalsContact C-N 3.34Å; P45-L47 PolarHBondContact O-N 3.05Å
46	N	35.4	Very low	36.7	Very low	118 Å²	118	59.8 Å²	59.8	63%	0.631	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-80.9	0.2	-174.1	-67.4	-22.9	0	0	0	115.4	S44 I49	S44-N46 PolarHBondContact O-N 2.86Å; N46-I49 HydrophobicContact CB-CD1 3.87Å; N46-I49 HydrophobicContact CB-CG1 4.46Å; N46-I49 VanDerWaalsContact O-CD1 3.24Å; N46-I49 WeakPolarHBondContact O-CD1 3.27Å; N46-I49 VanDerWaalsContact O-CG1 3.3Å; N46-I49 WeakPolarHBondContact O-CG1 3.09Å
47	L	40.4	Very low	36.3	Very low	47 Å²	47	62.9 Å²	62.9	25%	0.246	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-82.8	-36.5	180	-78.3	163.7	0	0	0	113.3	S44 P45 I49 N52 L212 F325	S44-L47 PolarHBondContact O-N 3.35Å; P45-L47 VanDerWaalsContact C-N 3.34Å; P45-L47 PolarHBondContact O-N 3.05Å; L47-I49 VanDerWaalsContact C-N 3.25Å; L47-I49 PolarHBondContact O-N 3.19Å; L47-N52 PolarHBondContact O-ND2 2.78Å; L47-L212 HydrophobicContact CD1-CD2 3.26Å; L47-L212 HydrophobicContact CD1-CG 4.45Å; L47-L212 HydrophobicContact CD2-CD2 4.35Å; L47-L212 HydrophobicContact CG-CD2 4.45Å; L47-F325 HydrophobicContact CD2-CE2 4.47Å; L47-F325 HydrophobicContact CD2-CZ 4.44Å
48	L	38.7	Very low	36.2	Very low	43 Å²	43	63.8 Å²	63.8	23%	0.225	35%	0.35	C	S	.	.	S	Bend	trans	-90.6	23.8	178.9	-58.7	178.1	0	0	0	112.4	Q148	L48-Q148 HydrophobicContact CD1-CB 4.05Å; L48-Q148 HydrophobicContact CD1-CG 4.04Å
49	I	34.9	Very low	36.2	Very low	65 Å²	65	66.6 Å²	66.6	33%	0.333	36%	0.364	S	S	.	.			trans	-61.4	130	170.8	-60.6	170.7	0	0	0	107.8	N46 L47 T51 N52	N46-I49 HydrophobicContact CB-CD1 3.87Å; N46-I49 HydrophobicContact CB-CG1 4.46Å; N46-I49 VanDerWaalsContact O-CD1 3.24Å; N46-I49 WeakPolarHBondContact O-CD1 3.27Å; N46-I49 VanDerWaalsContact O-CG1 3.3Å; N46-I49 WeakPolarHBondContact O-CG1 3.09Å; L47-I49 VanDerWaalsContact C-N 3.25Å; L47-I49 PolarHBondContact O-N 3.19Å; I49-T51 HydrophobicContact CG2-CG2 4.19Å; I49-T51 VanDerWaalsContact CG2-OG1 3.27Å; I49-T51 WeakPolarHBondContact CG2-OG1 3.38Å; I49-T51 PolarHBondContact O-N 3.01Å; I49-N52 PolarHBondContact O-N 3.04Å
50	P	32.1	Very low	36	Very low	34 Å²	34	67 Å²	67	22%	0.221	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.3	-176.6	-27.1	35	0	0	0	116.7	N52 H141 L144	P50-N52 VanDerWaalsContact C-N 3.33Å; P50-H141 HydrophobicContact CG-CB 4.46Å; P50-H141 WeakPolarHBondContact CG-ND1 3.32Å; P50-L144 HydrophobicContact CB-CD1 3.99Å; P50-L144 HydrophobicContact CG-CD1 4.2Å
51	T	34.3	Very low	35.8	Very low	117 Å²	117	70.5 Å²	70.5	72%	0.718	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.9	174	58.7	0	0	0	0	113	I49 D53	I49-T51 HydrophobicContact CG2-CG2 4.19Å; I49-T51 VanDerWaalsContact CG2-OG1 3.27Å; I49-T51 WeakPolarHBondContact CG2-OG1 3.38Å; I49-T51 PolarHBondContact O-N 3.01Å; T51-D53 PolarHBondContact O-N 3.48Å
52	N	32.1	Very low	35.4	Very low	65 Å²	65	72.3 Å²	72.3	35%	0.348	41%	0.409	S	S	.	.	S	Bend	trans	-87.8	101.7	171.8	-60.1	-23.2	0	0	0	106.9	L47 I49 P50 V54	L47-N52 PolarHBondContact O-ND2 2.78Å; I49-N52 PolarHBondContact O-N 3.04Å; P50-N52 VanDerWaalsContact C-N 3.33Å; N52-V54 HydrophobicContact CB-CG2 4.08Å; N52-V54 PolarHBondContact O-N 2.86Å
53	D	34.7	Very low	34.8	Very low	40 Å²	40	71.5 Å²	71.5	21%	0.214	41%	0.41	C	S	.	.			trans	-63.4	100.7	169.8	-89	-20.5	0	0	0	108.6	T51 N97 K140	T51-D53 PolarHBondContact O-N 3.48Å; D53-N97 HydrophobicContact CB-CB 3.69Å; D53-N97 WeakPolarHBondContact O-CB 3.37Å; D53-N97 PolarHBondContact O-N 2.79Å; D53-K140 WeakPolarHBondContact OD1-CE 3.36Å; D53-K140 IonicContact OD1-NZ 2.67Å; D53-K140 PolarHBondContact OD1-NZ 2.83Å; D53-K140 IonicContact OD2-NZ 3.01Å; D53-K140 PolarHBondContact OD2-NZ 3.05Å
54	V	32.9	Very low	34.5	Very low	26 Å²	26	70.6 Å²	70.6	16%	0.158	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.8	-175.9	162.9	0	0	0	0	109.7	N52 Y56 I94 F95	N52-V54 HydrophobicContact CB-CG2 4.08Å; N52-V54 PolarHBondContact O-N 2.86Å; V54-Y56 PolarHBondContact O-N 2.77Å; V54-I94 HydrophobicContact CB-CG2 4.45Å; V54-I94 HydrophobicContact CG1-CB 4.21Å; V54-I94 HydrophobicContact CG1-CG1 4.15Å; V54-I94 HydrophobicContact CG1-CG2 3.54Å; V54-I94 HydrophobicContact CG2-CG2 4.06Å; V54-F95 WeakPolarHBondContact CA-O 3.3Å
55	I	38.1	Very low	34.3	Very low	49 Å²	49	73 Å²	73	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	106.7	166	-55.9	173.8	0	0	0	107.4	I94 F95 N97 I313	I55-I94 WeakPolarHBondContact O-CA 3.24Å; I55-F95 HydrophobicContact CB-CB 4.24Å; I55-F95 HydrophobicContact CB-CD2 4.44Å; I55-F95 PolarHBondContact N-O 2.82Å; I55-F95 PolarHBondContact O-N 2.96Å; I55-N97 WeakPolarHBondContact CD1-OD1 3.33Å; I55-I313 HydrophobicContact CD1-CG2 3.67Å
56	Y	37.5	Very low	34.3	Very low	38 Å²	38	69.1 Å²	69.1	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.4	164.7	-179.2	-107.4	0	0	0	110.1	V54 P58 H91 F93 I94 L147 I151 L327	V54-Y56 PolarHBondContact O-N 2.77Å; Y56-P58 HydrophobicContact CD1-CB 4.31Å; Y56-P58 HydrophobicContact CD1-CG 4.38Å; Y56-P58 HydrophobicContact CE1-CB 3.65Å; Y56-P58 HydrophobicContact CE1-CG 4.19Å; Y56-P58 WeakPolarHBondContact O-CD 3.23Å; Y56-H91 PolarHBondContact OH-O 3.36Å; Y56-F93 CarbonylContact C-O 3.59Å; Y56-F93 VanDerWaalsContact CA-O 3.25Å; Y56-F93 WeakPolarHBondContact CA-O 3.46Å; Y56-I94 HydrophobicContact CD2-CG1 4.12Å; Y56-L147 HydrophobicContact CD1-CD1 3.21Å; Y56-L147 HydrophobicContact CD1-CG 4.47Å; Y56-L147 HydrophobicContact CD2-CD1 4.32Å; Y56-L147 HydrophobicContact CE1-CD1 3.7Å; Y56-L147 HydrophobicContact CG-CD1 3.54Å; Y56-L147 HydrophobicContact CG-CD2 4.11Å; Y56-L147 HydrophobicContact CG-CG 4.43Å; Y56-I151 HydrophobicContact CD2-CD1 4.47Å; Y56-I151 HydrophobicContact CE2-CD1 4.13Å; Y56-I151 HydrophobicContact CE2-CG1 4.45Å; Y56-L327 HydrophobicContact CE2-CD1 4.31Å
57	M	38.1	Very low	33.9	Very low	80 Å²	80	65.8 Å²	65.8	39%	0.394	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	102.6	167.7	-169.7	168.5	71.6	0	0	108.2	L59 G92 F93 L225	M57-L59 PolarHBondContact O-N 3.19Å; M57-G92 WeakPolarHBondContact O-CA 3.46Å; M57-F93 HydrophobicContact CB-CB 4.39Å; M57-F93 HydrophobicContact CB-CD2 4.41Å; M57-F93 HydrophobicContact CE-CD2 3.56Å; M57-F93 HydrophobicContact CE-CE2 4.04Å; M57-F93 PolarHBondContact N-O 2.63Å; M57-F93 PolarHBondContact O-N 3.36Å; M57-L225 HydrophobicContact CE-CD2 3.97Å
58	P	35.7	Very low	33.4	Very low	68 Å²	68	67.3 Å²	67.3	44%	0.442	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.8	170.1	24.2	-29.6	0	0	0	108.4	Y56 N60	Y56-P58 HydrophobicContact CD1-CB 4.31Å; Y56-P58 HydrophobicContact CD1-CG 4.38Å; Y56-P58 HydrophobicContact CE1-CB 3.65Å; Y56-P58 HydrophobicContact CE1-CG 4.19Å; Y56-P58 WeakPolarHBondContact O-CD 3.23Å; P58-N60 PolarHBondContact O-N 3.01Å
59	L	37.2	Very low	32.9	Very low	60 Å²	60	72.1 Å²	72.1	31%	0.314	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-69.7	121.6	160.4	-79.6	172.2	0	0	0	107.3	M57 C90 H91 F93	M57-L59 PolarHBondContact O-N 3.19Å; L59-C90 HydrophobicContact CD1-CB 3.76Å; L59-C90 WeakPolarHBondContact CD1-O 3.42Å; L59-C90 WeakPolarHBondContact CD1-SG 3.16Å; L59-H91 PolarHBondContact N-O 2.76Å; L59-F93 HydrophobicContact CD1-CE2 4.22Å; L59-F93 HydrophobicContact CD1-CZ 4.22Å; L59-F93 HydrophobicContact CD2-CE2 3.7Å; L59-F93 HydrophobicContact CD2-CZ 4.3Å; L59-F93 HydrophobicContact CG-CE2 3.84Å; L59-F93 HydrophobicContact CG-CZ 4.34Å
60	N	35.5	Very low	32.4	Very low	101 Å²	101	80.3 Å²	80.3	54%	0.54	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-52.3	142.1	163.1	-81.5	-28.2	0	0	0	108.1	P58 T62	P58-N60 PolarHBondContact O-N 3.01Å; N60-T62 PolarHBondContact O-N 3.3Å; N60-T62 PolarHBondContact O-OG1 3.26Å
61	P	30.4	Very low	32	Very low	117 Å²	117	80.9 Å²	80.9	76%	0.76	44%	0.439	S	S	*	.			trans	-73.4	53.5	172.7	32	-35.9	0	0	0	111.2
62	T	30.4	Very low	31.5	Very low	94 Å²	94	81.5 Å²	81.5	58%	0.577	45%	0.447	S	S	*	.			trans	-64.5	129.8	149.4	49.3	0	0	0	0	106.2	N60 V64	N60-T62 PolarHBondContact O-N 3.3Å; N60-T62 PolarHBondContact O-OG1 3.26Å; T62-V64 PolarHBondContact O-N 3.45Å
63	N	28.6	Very low	31.2	Very low	145 Å²	145	82.1 Å²	82.1	78%	0.775	46%	0.461	S	S	*	.	S	Bend	trans	-71.5	60.1	-175.8	-70.4	-36	0	0	0	112	P65	N63-P65 VanDerWaalsContact C-CD 3.44Å; N63-P65 WeakPolarHBondContact O-CD 3.08Å
64	V	28.9	Very low	30.7	Very low	47 Å²	47	84.5 Å²	84.5	29%	0.285	48%	0.481	S	S	.	.			trans	-115.6	77.5	-173.2	-174.9	0	0	0	0	106.7	T62 L66 P257 F258	T62-V64 PolarHBondContact O-N 3.45Å; V64-L66 PolarHBondContact O-N 2.88Å; V64-L66 VanDerWaalsContact O-N 3.11Å; V64-P257 HydrophobicContact CG1-CB 3.97Å; V64-F258 HydrophobicContact CG1-CB 3.87Å
65	P	29.6	Very low	30.5	Very low	74 Å²	74	91.1 Å²	91.1	48%	0.481	52%	0.516	S	S	.	.			trans	-57.5	121.4	165.4	26.7	-32.4	0	0	0	106.8	N63 S67	N63-P65 VanDerWaalsContact C-CD 3.44Å; N63-P65 WeakPolarHBondContact O-CD 3.08Å; P65-S67 PolarHBondContact O-N 2.91Å
66	L	34.4	Very low	30	Very low	23 Å²	23	97.1 Å²	97.1	12%	0.12	54%	0.542	C	S	.	.			trans	-66.7	105	179.3	-65.1	177.8	0	0	0	107.6	V64 L68 C90 L255	V64-L66 PolarHBondContact O-N 2.88Å; V64-L66 VanDerWaalsContact O-N 3.11Å; L66-L68 PolarHBondContact O-N 3.01Å; L66-C90 HydrophobicContact CD1-CB 3.56Å; L66-C90 HydrophobicContact CG-CB 4.48Å; L66-L255 HydrophobicContact CB-CD2 4.3Å; L66-L255 HydrophobicContact CD1-CB 4.23Å; L66-L255 HydrophobicContact CD1-CD1 3.91Å
67	S	28	Very low	29.6	Very low	49 Å²	49	101.6 Å²	101.6	34%	0.343	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-70.2	109	174.4	52.8	0	0	0	0	108.3	P65 Q69	P65-S67 PolarHBondContact O-N 2.91Å; S67-Q69 PolarHBondContact O-N 2.67Å
68	L	30.2	Very low	29.1	Very low	78 Å²	78	106.6 Å²	106.6	41%	0.408	60%	0.6	S	S	.	*			trans	-49.6	122.4	151.6	-68.6	175.6	0	0	0	106.7	L66 R70 P88 I253 L255	L66-L68 PolarHBondContact O-N 3.01Å; L68-R70 PolarHBondContact O-N 2.71Å; L68-P88 HydrophobicContact CD1-CG 3.79Å; L68-P88 HydrophobicContact CG-CG 3.99Å; L68-I253 HydrophobicContact CD2-CD1 4.23Å; L68-I253 HydrophobicContact CD2-CG2 3.44Å; L68-I253 VanDerWaalsContact CD2-CG2 3.44Å; L68-L255 HydrophobicContact CD2-CD2 3.76Å
69	Q	26.5	Very low	28.8	Very low	145 Å²	145	105.6 Å²	105.6	68%	0.678	60%	0.602	S	S	*	*			trans	-52.8	121.6	162.2	-97.5	-174.3	-23.8	0	0	106.3	S67 A71	S67-Q69 PolarHBondContact O-N 2.67Å; Q69-A71 PolarHBondContact O-N 2.91Å
70	R	24.4	Very low	28.4	Very low	237 Å²	237	109.9 Å²	109.9	89%	0.894	63%	0.625	S	S	*	*			trans	-57.9	105.4	177.8	178.1	-177.8	-89.8	159.8	-8	106.1	L68 C72	L68-R70 PolarHBondContact O-N 2.71Å; R70-C72 PolarHBondContact O-N 3.36Å; R70-C72 VanDerWaalsContact O-N 3.15Å
71	A	25	Very low	28.1	Very low	46 Å²	46	112.6 Å²	112.6	38%	0.38	64%	0.64	S	S	.	*			trans	-51.7	126	174.8	0	0	0	0	0	107.1	Q69 A73 P249	Q69-A71 PolarHBondContact O-N 2.91Å; A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 3.09Å; A71-P249 HydrophobicContact CB-CB 3.86Å; A71-P249 HydrophobicContact CB-CG 3.37Å
72	C	23.4	Very low	28	Very low	129 Å²	129	112.5 Å²	112.5	87%	0.872	64%	0.638	S	S	*	*			trans	-61.9	99	171.2	-70.3	0	0	0	0	106.6	R70 S74	R70-C72 PolarHBondContact O-N 3.36Å; R70-C72 VanDerWaalsContact O-N 3.15Å; C72-S74 PolarHBondContact O-N 2.78Å
73	A	25.6	Very low	27.9	Very low	79 Å²	79	113.2 Å²	113.2	65%	0.653	63%	0.634	S	S	*	*			trans	-58.1	110.8	176.1	0	0	0	0	0	107	A71 N75	A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 3.09Å; A73-N75 PolarHBondContact O-N 2.88Å; A73-N75 VanDerWaalsContact O-N 3.12Å
74	S	24.9	Very low	27.8	Very low	89 Å²	89	108.6 Å²	108.6	62%	0.622	61%	0.613	S	S	*	*			trans	-60.1	115.1	163.9	48.3	0	0	0	0	106.4	C72 E76	C72-S74 PolarHBondContact O-N 2.78Å; S74-E76 PolarHBondContact O-N 2.8Å
75	N	28.6	Very low	28	Very low	166 Å²	166	112.5 Å²	112.5	89%	0.888	62%	0.624	S	S	*	*	S	Bend	trans	-67.4	65.5	-174.5	-72.1	-25.9	0	0	0	112	A73	A73-N75 PolarHBondContact O-N 2.88Å; A73-N75 VanDerWaalsContact O-N 3.12Å
76	E	27.1	Very low	28.1	Very low	174 Å²	174	109.7 Å²	109.7	81%	0.813	61%	0.609	S	S	*	*			trans	-155.6	41.6	-173.7	-135.5	166	-138.9	0	0	115.6	S74	S74-E76 PolarHBondContact O-N 2.8Å
77	T	29.2	Very low	28.1	Very low	132 Å²	132	115.7 Å²	115.7	81%	0.81	64%	0.636	S	S	*	*			trans	-154.6	109.6	144	3.8	0	0	0	0	111.4
78	I	28.1	Very low	28.4	Very low	186 Å²	186	114.2 Å²	114.2	95%	0.954	63%	0.625	S	S	*	*			trans	-89.5	100.8	163.6	-60.9	171.3	0	0	0	105.8
79	G	28	Very low	28.8	Very low	47 Å²	47	113.9 Å²	113.9	49%	0.485	62%	0.623	S	S	.	*			trans	-138.9	136	173.6	0	0	0	0	0	108.7
80	D	29.1	Very low	29.3	Very low	149 Å²	149	107.7 Å²	107.7	80%	0.797	60%	0.595	S	S	*	*	S	Bend	trans	-62.9	161.9	-170.6	-64	-69.5	0	0	0	113.8
81	D	28.9	Very low	30.2	Very low	158 Å²	158	97.2 Å²	97.2	85%	0.845	56%	0.557	S	S	*	*			trans	66.8	33.2	174.3	-61.8	-20.2	0	0	0	118.4	Q83	D81-Q83 PolarHBondContact O-N 2.92Å
82	T	28.2	Very low	30.7	Very low	116 Å²	116	95 Å²	95	71%	0.712	54%	0.538	S	S	*	.			trans	-66.3	95	162.7	51.5	0	0	0	0	111.7	S84	T82-S84 PolarHBondContact O-N 2.99Å
83	Q	30.1	Very low	31.7	Very low	108 Å²	108	89.3 Å²	89.3	51%	0.505	50%	0.499	S	S	.	.			trans	-58	120.5	166	-64.6	-178.4	0.9	0	0	109.6	D81 Y85 H332	D81-Q83 PolarHBondContact O-N 2.92Å; Q83-Y85 PolarHBondContact O-N 3.46Å; Q83-H332 PolarHBondContact OE1-ND1 2.94Å
84	S	26.8	Very low	32.5	Very low	48 Å²	48	86.3 Å²	86.3	34%	0.336	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	108.6	173.3	50.1	0	0	0	0	109.6	T82 G86 E333 I335	T82-S84 PolarHBondContact O-N 2.99Å; S84-G86 PolarHBondContact O-N 3.11Å; S84-E333 PolarHBondContact O-N 3.32Å; S84-I335 WeakPolarHBondContact OG-CD1 3.4Å; S84-I335 VanDerWaalsContact OG-CG1 3.31Å; S84-I335 WeakPolarHBondContact OG-CG1 3.47Å
85	Y	31.4	Very low	33	Very low	129 Å²	129	83.1 Å²	83.1	51%	0.506	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.8	170.9	-61.8	-60.6	0	0	0	110.4	Q83 V330 R331 H332	Q83-Y85 PolarHBondContact O-N 3.46Å; Y85-V330 HydrophobicContact CD1-CG1 3.34Å; Y85-V330 HydrophobicContact CE1-CG1 4.2Å; Y85-V330 HydrophobicContact CG-CG1 3.74Å; Y85-R331 WeakPolarHBondContact CA-O 3.41Å; Y85-H332 AromaticContact CE1-CE1 3.65Å; Y85-H332 AromaticContact CE1-ND1 3.75Å
86	G	32.2	Very low	33.2	Very low	16 Å²	16	77.6 Å²	77.6	17%	0.165	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-64.4	168.1	169.3	0	0	0	0	0	111.6	S84 P88 R331	S84-G86 PolarHBondContact O-N 3.11Å; G86-P88 VanDerWaalsContact O-N 3.14Å; G86-R331 PolarHBondContact N-O 3.1Å
87	H	34.5	Very low	33.4	Very low	148 Å²	148	73 Å²	73	69%	0.685	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-51.9	120.9	179.3	-67.8	-62.9	0	0	0	111.3	I89	H87-I89 PolarHBondContact O-N 3.39Å
88	P	33.4	Very low	33.2	Very low	19 Å²	19	70.6 Å²	70.6	12%	0.123	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.9	127.8	-178.3	28.1	-34.8	0	0	0	110.1	L68 G86 L328 S329 V330	L68-P88 HydrophobicContact CD1-CG 3.79Å; L68-P88 HydrophobicContact CG-CG 3.99Å; G86-P88 VanDerWaalsContact O-N 3.14Å; P88-L328 HydrophobicContact CB-CD2 4.47Å; P88-S329 WeakPolarHBondContact CA-O 3.21Å; P88-V330 HydrophobicContact CB-CG2 4.39Å
89	I	40.1	Very low	33.2	Very low	71 Å²	71	68.8 Å²	68.8	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.5	176	-57.3	179.5	0	0	0	107.8	H87 M208 S329	H87-I89 PolarHBondContact O-N 3.39Å; I89-M208 HydrophobicContact CD1-CE 4.06Å; I89-M208 HydrophobicContact CG1-CE 4.3Å; I89-S329 PolarHBondContact N-O 3.46Å; I89-S329 PolarHBondContact O-N 2.83Å
90	C	35.9	Very low	33.1	Very low	14 Å²	14	72.3 Å²	72.3	10%	0.095	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.4	170.2	179.7	0	0	0	0	108.9	L59 L66 V326 L327 L328	L59-C90 HydrophobicContact CD1-CB 3.76Å; L59-C90 WeakPolarHBondContact CD1-O 3.42Å; L59-C90 WeakPolarHBondContact CD1-SG 3.16Å; L66-C90 HydrophobicContact CD1-CB 3.56Å; L66-C90 HydrophobicContact CG-CB 4.48Å; C90-V326 HydrophobicContact CB-CG1 4.33Å; C90-V326 WeakPolarHBondContact SG-CG1 3.41Å; C90-L327 WeakPolarHBondContact CA-O 3.42Å; C90-L328 HydrophobicContact CB-CD2 4.19Å
91	H	43.3	Very low	33	Very low	17 Å²	17	68.9 Å²	68.9	8%	0.079	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-34.6	179.7	-68	-80.7	0	0	0	113.1	Y56 L59 L327 S329	Y56-H91 PolarHBondContact OH-O 3.36Å; L59-H91 PolarHBondContact N-O 2.76Å; H91-L327 HydrophobicContact CB-CB 4.2Å; H91-L327 PolarHBondContact N-O 3.38Å; H91-S329 PolarHBondContact CD2-OG 3.12Å; H91-S329 VanDerWaalsContact NE2-CB 3.27Å; H91-S329 WeakPolarHBondContact NE2-CB 3.23Å; H91-S329 PolarHBondContact NE2-OG 3.08Å
92	G	36.7	Very low	33.1	Very low	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	173.6	179.8	0	0	0	0	0	112.9	M57 L327	M57-G92 WeakPolarHBondContact O-CA 3.46Å; G92-L327 PolarHBondContact O-N 3.41Å
93	F	43.9	Very low	33	Very low	9 Å²	9	67.6 Å²	67.6	4%	0.039	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.1	-178.6	-54.8	-69.3	0	0	0	111	Y56 M57 L59 F95 L225 L227 V326	Y56-F93 CarbonylContact C-O 3.59Å; Y56-F93 VanDerWaalsContact CA-O 3.25Å; Y56-F93 WeakPolarHBondContact CA-O 3.46Å; M57-F93 HydrophobicContact CB-CB 4.39Å; M57-F93 HydrophobicContact CB-CD2 4.41Å; M57-F93 HydrophobicContact CE-CD2 3.56Å; M57-F93 HydrophobicContact CE-CE2 4.04Å; M57-F93 PolarHBondContact N-O 2.63Å; M57-F93 PolarHBondContact O-N 3.36Å; L59-F93 HydrophobicContact CD1-CE2 4.22Å; L59-F93 HydrophobicContact CD1-CZ 4.22Å; L59-F93 HydrophobicContact CD2-CE2 3.7Å; L59-F93 HydrophobicContact CD2-CZ 4.3Å; L59-F93 HydrophobicContact CG-CE2 3.84Å; L59-F93 HydrophobicContact CG-CZ 4.34Å; F93-F95 HydrophobicContact CB-CE2 4.04Å; F93-F95 HydrophobicContact CB-CZ 4.43Å; F93-L225 HydrophobicContact CD1-CD2 4.36Å; F93-L225 HydrophobicContact CD2-CD2 3.97Å; F93-L225 HydrophobicContact CE1-CD2 4.34Å; F93-L225 HydrophobicContact CE2-CD2 3.88Å; F93-L225 HydrophobicContact CG-CD2 4.2Å; F93-L225 HydrophobicContact CZ-CD2 4.09Å; F93-L227 HydrophobicContact CD1-CD1 4.39Å; F93-L227 HydrophobicContact CD1-CD2 4.13Å; F93-L227 HydrophobicContact CE1-CD1 3.37Å; F93-L227 HydrophobicContact CE1-CD2 3.89Å; F93-L227 HydrophobicContact CE1-CG 4.27Å; F93-L227 HydrophobicContact CZ-CD1 3.68Å; F93-V326 HydrophobicContact CD1-CG2 3.92Å; F93-V326 HydrophobicContact CE1-CG1 4.27Å; F93-V326 HydrophobicContact CE1-CG2 3.92Å
94	I	41.2	Very low	32.8	Very low	16 Å²	16	68.9 Å²	68.9	8%	0.082	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.5	174.2	-71.8	169.9	0	0	0	107.1	V54 I55 Y56 L212 G324 F325	V54-I94 HydrophobicContact CB-CG2 4.45Å; V54-I94 HydrophobicContact CG1-CB 4.21Å; V54-I94 HydrophobicContact CG1-CG1 4.15Å; V54-I94 HydrophobicContact CG1-CG2 3.54Å; V54-I94 HydrophobicContact CG2-CG2 4.06Å; I55-I94 WeakPolarHBondContact O-CA 3.24Å; Y56-I94 HydrophobicContact CD2-CG1 4.12Å; I94-L212 HydrophobicContact CD1-CD1 4.15Å; I94-G324 CarbonylContact O-C 3.43Å; I94-G324 VanDerWaalsContact O-CA 3.26Å; I94-G324 WeakPolarHBondContact O-CA 3.32Å; I94-F325 HydrophobicContact CB-CB 4.23Å; I94-F325 HydrophobicContact CG2-CD2 4.07Å; I94-F325 PolarHBondContact N-O 3.27Å; I94-F325 PolarHBondContact O-N 3.33Å
95	F	35.8	Very low	33	Very low	22 Å²	22	71.4 Å²	71.4	10%	0.096	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.5	166.9	-59.3	-81.5	0	0	0	109.3	V54 I55 F93 N97 A217 L225 R322	V54-F95 WeakPolarHBondContact CA-O 3.3Å; I55-F95 HydrophobicContact CB-CB 4.24Å; I55-F95 HydrophobicContact CB-CD2 4.44Å; I55-F95 PolarHBondContact N-O 2.82Å; I55-F95 PolarHBondContact O-N 2.96Å; F93-F95 HydrophobicContact CB-CE2 4.04Å; F93-F95 HydrophobicContact CB-CZ 4.43Å; F95-N97 PolarHBondContact O-N 3.02Å; F95-A217 HydrophobicContact CE1-CB 3.77Å; F95-A217 HydrophobicContact CZ-CB 4.12Å; F95-L225 HydrophobicContact CZ-CD2 4.48Å; F95-R322 HydrophobicContact CD1-CB 4.4Å
96	P	32.5	Very low	32.8	Very low	51 Å²	51	73.6 Å²	73.6	33%	0.331	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118.6	160.1	29.2	-30.1	0	0	0	108.1	S98	P96-S98 PolarHBondContact O-N 3.3Å
97	N	31.4	Very low	32.6	Very low	77 Å²	77	79 Å²	79	41%	0.412	45%	0.45	S	S	.	.			trans	-61.1	106.5	164.2	-82.5	-20.2	0	0	0	107.8	D53 I55 F95 E99	D53-N97 HydrophobicContact CB-CB 3.69Å; D53-N97 WeakPolarHBondContact O-CB 3.37Å; D53-N97 PolarHBondContact O-N 2.79Å; I55-N97 WeakPolarHBondContact CD1-OD1 3.33Å; F95-N97 PolarHBondContact O-N 3.02Å; N97-E99 PolarHBondContact O-N 3.35Å
98	S	26.5	Very low	32.2	Very low	82 Å²	82	79.2 Å²	79.2	57%	0.573	46%	0.456	S	S	*	.			trans	-71	89.2	154.6	64.2	0	0	0	0	107.6	P96 R322	P96-S98 PolarHBondContact O-N 3.3Å; S98-R322 PolarHBondContact OG-NH1 3.29Å
99	E	27	Very low	31.9	Very low	148 Å²	148	86.5 Å²	86.5	69%	0.692	49%	0.488	S	S	*	.			trans	-56	168.1	149.7	-72.8	-159.4	147.2	0	0	109.3	N97	N97-E99 PolarHBondContact O-N 3.35Å
100	V	27.1	Very low	31.4	Very low	120 Å²	120	89.4 Å²	89.4	73%	0.727	50%	0.503	S	S	*	.			trans	74	60.3	-175.2	-159.9	0	0	0	0	113.3	S102	V100-S102 VanDerWaalsContact CG1-CB 3.49Å; V100-S102 WeakPolarHBondContact CG1-OG 3.21Å; V100-S102 PolarHBondContact O-N 3.23Å
101	G	26.8	Very low	30.8	Very low	78 Å²	78	95.6 Å²	95.6	80%	0.804	54%	0.535	S	S	*	.			trans	-69.7	65.5	140.1	0	0	0	0	0	110.5	N103	G101-N103 VanDerWaalsContact C-N 3.26Å; G101-N103 PolarHBondContact O-N 2.84Å
102	S	30.9	Very low	29.9	Very low	89 Å²	89	102.4 Å²	102.4	62%	0.622	57%	0.571	S	S	*	*			trans	-73.3	79.7	176.7	56.8	0	0	0	0	110.7	V100	V100-S102 VanDerWaalsContact CG1-CB 3.49Å; V100-S102 WeakPolarHBondContact CG1-OG 3.21Å; V100-S102 PolarHBondContact O-N 3.23Å
103	N	25.6	Very low	29.3	Very low	158 Å²	158	107.4 Å²	107.4	85%	0.845	60%	0.603	S	S	*	*			trans	-159.9	32.3	164.7	-91.2	-40.3	0	0	0	112.8	G101 P105	G101-N103 VanDerWaalsContact C-N 3.26Å; G101-N103 PolarHBondContact O-N 2.84Å; N103-P105 VanDerWaalsContact O-CD 3.31Å; N103-P105 WeakPolarHBondContact O-CD 3.49Å
104	D	25.3	Very low	28.3	Very low	134 Å²	134	112.4 Å²	112.4	72%	0.717	64%	0.639	S	S	*	*			trans	-93.4	103.2	160.8	-114.1	-36.6	0	0	0	108.8	E106	D104-E106 PolarHBondContact O-N 3.1Å
105	P	31.3	Very low	27.5	Very low	102 Å²	102	120.2 Å²	120.2	66%	0.662	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-71.3	-10.1	-173.3	28.4	-35	0	0	0	114	N103	N103-P105 VanDerWaalsContact O-CD 3.31Å; N103-P105 WeakPolarHBondContact O-CD 3.49Å
106	E	27.3	Very low	26.9	Very low	174 Å²	174	128.3 Å²	128.3	81%	0.813	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-80.5	-18.1	-176.3	-61	-159.2	151.8	0	0	114.3	D104 N108	D104-E106 PolarHBondContact O-N 3.1Å; E106-N108 VanDerWaalsContact C-N 3.26Å; E106-N108 PolarHBondContact O-N 2.87Å
107	L	28.8	Very low	26.5	Very low	131 Å²	131	133 Å²	133	69%	0.686	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-80.4	-1.8	179.2	-139.5	78.7	0	0	0	114.5	Q109 I110	L107-Q109 PolarHBondContact O-N 3.39Å; L107-I110 HydrophobicContact CD1-CD1 3.9Å; L107-I110 HydrophobicContact CD2-CD1 4.43Å; L107-I110 HydrophobicContact CG-CD1 3.93Å; L107-I110 HydrophobicContact CG-CG1 4.43Å
108	N	25.8	Very low	26.1	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-74.4	16.7	175.9	-88.4	-32.3	0	0	0	114.6	E106	E106-N108 VanDerWaalsContact C-N 3.26Å; E106-N108 PolarHBondContact O-N 2.87Å
109	Q	27.7	Very low	26	Very low	173 Å²	173	141.4 Å²	141.4	81%	0.808	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-122.8	6.8	176	-66.9	-164.4	29.4	0	0	115.3	L107 N111	L107-Q109 PolarHBondContact O-N 3.39Å; Q109-N111 VanDerWaalsContact C-N 3.25Å; Q109-N111 PolarHBondContact O-N 3.41Å
110	I	28.8	Very low	25.8	Very low	132 Å²	132	141 Å²	141	68%	0.677	77%	0.768	S	S	*	*			trans	-77.5	84.7	167.2	-52.2	-176.8	0	0	0	108.4	L107 I112	L107-I110 HydrophobicContact CD1-CD1 3.9Å; L107-I110 HydrophobicContact CD2-CD1 4.43Å; L107-I110 HydrophobicContact CG-CD1 3.93Å; L107-I110 HydrophobicContact CG-CG1 4.43Å; I110-I112 PolarHBondContact O-N 3.27Å; I110-I112 VanDerWaalsContact O-N 3.11Å
111	N	23.6	Very low	25.6	Very low	144 Å²	144	143 Å²	143	77%	0.77	78%	0.775	S	S	*	*			trans	-49.5	115.8	174.1	-91.1	-61.8	0	0	0	110.6	Q109 P113	Q109-N111 VanDerWaalsContact C-N 3.25Å; Q109-N111 PolarHBondContact O-N 3.41Å; N111-P113 WeakPolarHBondContact O-CD 3.42Å
112	I	24.8	Very low	25.4	Very low	159 Å²	159	145 Å²	145	82%	0.815	77%	0.771	S	S	*	*			trans	-64.8	111.5	162.7	-61.2	170.5	0	0	0	106.6	I110 S114	I110-I112 PolarHBondContact O-N 3.27Å; I110-I112 VanDerWaalsContact O-N 3.11Å; I112-S114 PolarHBondContact O-N 2.79Å
113	P	23.4	Very low	25.1	Very low	106 Å²	106	145.7 Å²	145.7	69%	0.688	78%	0.776	S	S	*	*			trans	-74.1	107.4	-177.4	-12.6	29.8	0	0	0	108.6	N111 M115	N111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-M115 PolarHBondContact O-N 2.85Å
114	S	21.9	Very low	24.9	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	78%	0.775	S	S	*	*			trans	-70.3	79.9	171.9	64.6	0	0	0	0	109.7	I112 K116	I112-S114 PolarHBondContact O-N 2.79Å; S114-K116 PolarHBondContact O-N 2.82Å
115	M	25.2	Very low	24.9	Very low	181 Å²	181	148.7 Å²	148.7	89%	0.892	78%	0.777	S	S	*	*			trans	-71	82.3	172.3	-83.4	-151	164.1	0	0	110.4	P113	P113-M115 PolarHBondContact O-N 2.85Å
116	K	23.4	Very low	24.5	Very low	192 Å²	192	151.3 Å²	151.3	84%	0.835	78%	0.784	S	S	*	*			trans	-55.7	134.2	148.9	-94.6	-178.8	173.1	176.6	0	108.4	S114 H118	S114-K116 PolarHBondContact O-N 2.82Å; K116-H118 PolarHBondContact O-N 3.32Å; K116-H118 VanDerWaalsContact O-N 3.11Å
117	N	23.1	Very low	24.4	Very low	150 Å²	150	148 Å²	148	80%	0.802	78%	0.778	S	S	*	*			trans	-40.7	113.1	172.8	-61.5	-33	0	0	0	112.6
118	H	23.2	Very low	24.2	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.875	79%	0.785	S	S	*	*			trans	-135.5	108.9	147.9	-100.2	-77.1	0	0	0	109.3	K116	K116-H118 PolarHBondContact O-N 3.32Å; K116-H118 VanDerWaalsContact O-N 3.11Å
119	I	24.2	Very low	24.1	Very low	145 Å²	145	149.1 Å²	149.1	74%	0.744	79%	0.788	S	S	*	*			trans	-71.9	148.1	170.2	-69.7	162	0	0	0	108
120	N	22.8	Very low	24.1	Very low	140 Å²	140	145.4 Å²	145.4	75%	0.749	78%	0.781	S	S	*	*			trans	76.4	91.7	-177.4	-52.4	-29.7	0	0	0	115.5
121	D	24.5	Very low	24.2	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	79%	0.791	S	S	*	*				-151.6	132.6	104.1	-111.2	-29.3	0	0	0	111.8	S123	D121-S123 PolarHBondContact O-N 3.28Å
122	V	22.8	Very low	24.6	Very low	119 Å²	119	142.5 Å²	142.5	72%	0.721	78%	0.783	S	S	*	*			trans	-88.6	107	-178.6	175	0	0	0	0	108.9	Y124	V122-Y124 HydrophobicContact CG1-CD2 3.93Å; V122-Y124 HydrophobicContact CG1-CE2 3.93Å
123	S	23.2	Very low	25	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	79%	0.786	S	S	*	*			trans	-124.1	106.1	166.9	-72	0	0	0	0	109.6	D121 N125	D121-S123 PolarHBondContact O-N 3.28Å; S123-N125 PolarHBondContact O-N 2.76Å
124	Y	22.4	Very low	25.9	Very low	214 Å²	214	141.5 Å²	141.5	84%	0.839	78%	0.777	S	S	*	*			trans	-66.9	91.8	172.9	-84	-97.1	0	0	0	110.2	V122	V122-Y124 HydrophobicContact CG1-CD2 3.93Å; V122-Y124 HydrophobicContact CG1-CE2 3.93Å
125	N	24	Very low	26.8	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	77%	0.768	S	S	*	*			trans	-119	109.7	157.4	-85.5	-33.8	0	0	0	107.2	S123 P127	S123-N125 PolarHBondContact O-N 2.76Å; N125-P127 WeakPolarHBondContact O-CD 3.22Å
126	I	23.9	Very low	27.8	Very low	157 Å²	157	137.2 Å²	137.2	81%	0.805	75%	0.752	S	S	*	*			trans	-66.8	108.4	170.8	-61.1	167.3	0	0	0	106.2	S128	I126-S128 PolarHBondContact O-N 3Å
127	P	24.5	Very low	28.8	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	74%	0.738	S	S	*	*			trans	-71.3	125.1	172	-6.5	26	0	0	0	105.8	N125 Q129	N125-P127 WeakPolarHBondContact O-CD 3.22Å; P127-Q129 PolarHBondContact O-N 3.06Å
128	S	25.3	Very low	29.9	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	72%	0.723	S	S	*	*			trans	-50.2	109.7	174.4	-57.1	0	0	0	0	109.1	I126 S130	I126-S128 PolarHBondContact O-N 3Å; S128-S130 VanDerWaalsContact C-N 3.35Å; S128-S130 PolarHBondContact O-N 2.88Å
129	Q	23.4	Very low	31	Very low	186 Å²	186	124.4 Å²	124.4	87%	0.869	70%	0.704	S	S	*	*			trans	-66	97.4	177.9	-73.9	-179.3	-18.2	0	0	108.1	P127 S131	P127-Q129 PolarHBondContact O-N 3.06Å; Q129-S131 VanDerWaalsContact C-N 3.28Å; Q129-S131 PolarHBondContact O-N 2.64Å
130	S	27.5	Very low	32	Very low	96 Å²	96	121.1 Å²	121.1	67%	0.671	68%	0.684	S	S	*	*			trans	-66.4	93.8	164.8	55.4	0	0	0	0	107.6	S128 S132	S128-S130 VanDerWaalsContact C-N 3.35Å; S128-S130 PolarHBondContact O-N 2.88Å; S130-S132 PolarHBondContact O-N 2.75Å
131	S	31.1	Very low	33.1	Very low	126 Å²	126	118.6 Å²	118.6	88%	0.881	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	56.7	177	45.3	0	0	0	0	111.8	Q129	Q129-S131 VanDerWaalsContact C-N 3.28Å; Q129-S131 PolarHBondContact O-N 2.64Å
132	S	32.2	Very low	34.3	Very low	88 Å²	88	115.1 Å²	115.1	62%	0.615	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	5.6	177	62.6	0	0	0	0	113.3	S130 V134	S130-S132 PolarHBondContact O-N 2.75Å; S132-V134 PolarHBondContact O-N 2.97Å
133	N	32.4	Very low	35.6	Very low	164 Å²	164	114.8 Å²	114.8	88%	0.877	64%	0.64	S	S	*	*			trans	-76.3	60.9	163.1	-126.7	18.6	0	0	0	109.2
134	V	42.1	Very low	36.8	Very low	81 Å²	81	110.9 Å²	110.9	49%	0.491	61%	0.611	S	S	.	*			trans	-56.2	138.6	157	-179.5	0	0	0	0	105.9	S132 T136	S132-V134 PolarHBondContact O-N 2.97Å; V134-T136 PolarHBondContact O-N 2.9Å
135	D	42.3	Very low	38.2	Very low	111 Å²	111	103.4 Å²	103.4	59%	0.594	59%	0.585	S	S	*	*			trans	-66.2	93	170.6	-166.9	-16	0	0	0	108.1	N137 A138 Q139	D135-N137 PolarHBondContact O-N 2.83Å; D135-N137 VanDerWaalsContact O-N 3.09Å; D135-N137 WeakPolarHBondContact OD1-CB 3.49Å; D135-N137 PolarHBondContact OD1-N 2.86Å; D135-A138 HydrophobicContact CB-CB 4.22Å; D135-A138 PolarHBondContact O-N 2.85Å; D135-Q139 PolarHBondContact O-N 2.87Å
136	T	45.6	Very low	39.5	Very low	93 Å²	93	101.3 Å²	101.3	57%	0.571	57%	0.573	S	S	*	*	H	α-helix	trans	-59.2	-25.4	-173.4	50.9	0	0	0	0	111	V134 K140	V134-T136 PolarHBondContact O-N 2.9Å; T136-K140 VanDerWaalsContact O-CB 3.29Å; T136-K140 WeakPolarHBondContact O-CB 3.29Å; T136-K140 VanDerWaalsContact O-CG 3.24Å; T136-K140 WeakPolarHBondContact O-CG 3.39Å; T136-K140 PolarHBondContact O-N 2.94Å
137	N	43.7	Very low	40.9	Very low	99 Å²	99	95.1 Å²	95.1	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-66.8	-47.1	174.6	-155.8	-33.1	0	0	0	111.5	D135 Q139 K140 H141	D135-N137 PolarHBondContact O-N 2.83Å; D135-N137 VanDerWaalsContact O-N 3.09Å; D135-N137 WeakPolarHBondContact OD1-CB 3.49Å; D135-N137 PolarHBondContact OD1-N 2.86Å; N137-Q139 PolarHBondContact O-N 3.46Å; N137-K140 PolarHBondContact O-N 3.38Å; N137-H141 WeakPolarHBondContact O-CB 3.18Å; N137-H141 PolarHBondContact O-N 3.37Å
138	A	46.4	Very low	42.1	Very low	59 Å²	59	93.6 Å²	93.6	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-40.7	177.8	0	0	0	0	0	112.3	D135 H141 L142	D135-A138 HydrophobicContact CB-CB 4.22Å; D135-A138 PolarHBondContact O-N 2.85Å; A138-H141 PolarHBondContact O-N 3.37Å; A138-L142 PolarHBondContact O-N 2.87Å; A138-L142 VanDerWaalsContact O-N 3.09Å
139	Q	46.3	Very low	43.4	Very low	103 Å²	103	92 Å²	92	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-42	176.2	-172.5	172.4	-7.1	0	0	112.2	D135 N137 L142 Q143	D135-Q139 PolarHBondContact O-N 2.87Å; N137-Q139 PolarHBondContact O-N 3.46Å; Q139-L142 PolarHBondContact O-N 3.11Å; Q139-Q143 WeakPolarHBondContact O-CG 2.96Å; Q139-Q143 PolarHBondContact O-N 2.87Å; Q139-Q143 VanDerWaalsContact O-N 3.08Å
140	K	44.6	Very low	44.6	Very low	76 Å²	76	86.3 Å²	86.3	33%	0.33	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-43.2	173	-79.9	-177.8	175.1	-163.3	0	111.8	D53 T136 N137 L142 Q143 L144	D53-K140 WeakPolarHBondContact OD1-CE 3.36Å; D53-K140 IonicContact OD1-NZ 2.67Å; D53-K140 PolarHBondContact OD1-NZ 2.83Å; D53-K140 IonicContact OD2-NZ 3.01Å; D53-K140 PolarHBondContact OD2-NZ 3.05Å; T136-K140 VanDerWaalsContact O-CB 3.29Å; T136-K140 WeakPolarHBondContact O-CB 3.29Å; T136-K140 VanDerWaalsContact O-CG 3.24Å; T136-K140 WeakPolarHBondContact O-CG 3.39Å; T136-K140 PolarHBondContact O-N 2.94Å; N137-K140 PolarHBondContact O-N 3.38Å; K140-L142 PolarHBondContact O-N 3.14Å; K140-Q143 PolarHBondContact O-N 3.39Å; K140-L144 PolarHBondContact O-N 2.66Å
141	H	46.3	Very low	45.6	Very low	87 Å²	87	82.7 Å²	82.7	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-43.7	179	-172.6	60.8	0	0	0	111.7	P50 N137 A138 Q143 L144 L145	P50-H141 HydrophobicContact CG-CB 4.46Å; P50-H141 WeakPolarHBondContact CG-ND1 3.32Å; N137-H141 WeakPolarHBondContact O-CB 3.18Å; N137-H141 PolarHBondContact O-N 3.37Å; A138-H141 PolarHBondContact O-N 3.37Å; H141-Q143 PolarHBondContact O-N 3.06Å; H141-L144 PolarHBondContact O-N 3.48Å; H141-L145 WeakPolarHBondContact O-CG 3.06Å; H141-L145 PolarHBondContact O-N 3.08Å
142	L	50.3	Low	46.4	Very low	90 Å²	90	80.3 Å²	80.3	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-42.1	173.8	-179.2	62.2	0	0	0	112.1	A138 Q139 K140 L144 L145 L146	A138-L142 PolarHBondContact O-N 2.87Å; A138-L142 VanDerWaalsContact O-N 3.09Å; Q139-L142 PolarHBondContact O-N 3.11Å; K140-L142 PolarHBondContact O-N 3.14Å; L142-L144 PolarHBondContact O-N 2.96Å; L142-L145 PolarHBondContact O-N 3.45Å; L142-L146 HydrophobicContact CD1-CD1 4.28Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.02Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.25Å; L142-L146 WeakPolarHBondContact O-CG 3.31Å; L142-L146 PolarHBondContact O-N 2.83Å
143	Q	49.9	Very low	47.2	Very low	113 Å²	113	81.6 Å²	81.6	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-40.6	176.8	-74.3	174.5	-25.6	0	0	112.5	Q139 K140 H141 L146 L147	Q139-Q143 WeakPolarHBondContact O-CG 2.96Å; Q139-Q143 PolarHBondContact O-N 2.87Å; Q139-Q143 VanDerWaalsContact O-N 3.08Å; K140-Q143 PolarHBondContact O-N 3.39Å; H141-Q143 PolarHBondContact O-N 3.06Å; Q143-L146 PolarHBondContact O-N 3.48Å; Q143-L147 WeakPolarHBondContact O-CB 3.48Å; Q143-L147 PolarHBondContact O-N 3.2Å
144	L	47.9	Very low	47.8	Very low	21 Å²	21	77 Å²	77	11%	0.11	40%	0.399	C	S	.	.	H	α-helix	trans	-69.1	-39.8	176.7	-74.9	165.6	0	0	0	112.6	P50 K140 H141 L142 L147 Q148	P50-L144 HydrophobicContact CB-CD1 3.99Å; P50-L144 HydrophobicContact CG-CD1 4.2Å; K140-L144 PolarHBondContact O-N 2.66Å; H141-L144 PolarHBondContact O-N 3.48Å; L142-L144 PolarHBondContact O-N 2.96Å; L144-L147 HydrophobicContact CD2-CD2 4.47Å; L144-L147 PolarHBondContact O-N 3.33Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 PolarHBondContact O-N 2.95Å
145	L	52.4	Low	47.9	Very low	57 Å²	57	75 Å²	75	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-42.9	173.4	-74.6	172.5	0	0	0	112	H141 L142 Q148 K149	H141-L145 WeakPolarHBondContact O-CG 3.06Å; H141-L145 PolarHBondContact O-N 3.08Å; L142-L145 PolarHBondContact O-N 3.45Å; L145-Q148 PolarHBondContact O-N 3.44Å; L145-K149 WeakPolarHBondContact O-CG 3.33Å; L145-K149 PolarHBondContact O-N 3.09Å
146	L	52.2	Low	48.2	Very low	97 Å²	97	71.6 Å²	71.6	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-43.4	174.3	-74.6	168.5	0	0	0	111.3	L142 Q143 K149 L150	L142-L146 HydrophobicContact CD1-CD1 4.28Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.02Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.25Å; L142-L146 WeakPolarHBondContact O-CG 3.31Å; L142-L146 PolarHBondContact O-N 2.83Å; Q143-L146 PolarHBondContact O-N 3.48Å; L146-K149 PolarHBondContact O-N 3.4Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.28Å
147	L	51.6	Low	48.1	Very low	26 Å²	26	74 Å²	74	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174.8	170	62.2	0	0	0	111.8	Y56 Q143 L144 K149 L150 I151	Y56-L147 HydrophobicContact CD1-CD1 3.21Å; Y56-L147 HydrophobicContact CD1-CG 4.47Å; Y56-L147 HydrophobicContact CD2-CD1 4.32Å; Y56-L147 HydrophobicContact CE1-CD1 3.7Å; Y56-L147 HydrophobicContact CG-CD1 3.54Å; Y56-L147 HydrophobicContact CG-CD2 4.11Å; Y56-L147 HydrophobicContact CG-CG 4.43Å; Q143-L147 WeakPolarHBondContact O-CB 3.48Å; Q143-L147 PolarHBondContact O-N 3.2Å; L144-L147 HydrophobicContact CD2-CD2 4.47Å; L144-L147 PolarHBondContact O-N 3.33Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.23Å; L147-L150 PolarHBondContact O-N 2.91Å; L147-I151 HydrophobicContact CD1-CD1 3.97Å; L147-I151 HydrophobicContact CD1-CG1 4.25Å; L147-I151 HydrophobicContact CG-CD1 4.11Å; L147-I151 WeakPolarHBondContact O-CG1 3.24Å; L147-I151 PolarHBondContact O-N 3.07Å
148	Q	51	Low	47.9	Very low	75 Å²	75	73.9 Å²	73.9	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-44.5	176.8	-173.3	-175.7	-35.7	0	0	110.8	L48 L144 L145 L150 I151 E152	L48-Q148 HydrophobicContact CD1-CB 4.05Å; L48-Q148 HydrophobicContact CD1-CG 4.04Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 PolarHBondContact O-N 2.95Å; L145-Q148 PolarHBondContact O-N 3.44Å; Q148-L150 PolarHBondContact O-N 2.91Å; Q148-I151 PolarHBondContact O-N 3.35Å; Q148-E152 PolarHBondContact NE2-OE1 3.25Å; Q148-E152 WeakPolarHBondContact O-CG 3.29Å; Q148-E152 PolarHBondContact O-N 2.98Å
149	K	51.3	Low	47.5	Very low	84 Å²	84	75.9 Å²	75.9	37%	0.365	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-32.2	176.8	-73.4	-70.3	170	-163.7	0	113.5	L145 L146 L147 E152 L153	L145-K149 WeakPolarHBondContact O-CG 3.33Å; L145-K149 PolarHBondContact O-N 3.09Å; L146-K149 PolarHBondContact O-N 3.4Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.23Å; K149-E152 WeakPolarHBondContact CD-OE2 3.4Å; K149-E152 WeakPolarHBondContact CE-OE2 3.33Å; K149-E152 IonicContact NZ-OE1 3.26Å; K149-E152 IonicContact NZ-OE2 2.72Å; K149-E152 PolarHBondContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact O-N 2.79Å; K149-L153 VanDerWaalsContact O-CB 3.3Å; K149-L153 WeakPolarHBondContact O-CB 3.47Å; K149-L153 VanDerWaalsContact O-CG 3.23Å; K149-L153 WeakPolarHBondContact O-CG 3.27Å; K149-L153 PolarHBondContact O-N 2.82Å
150	L	49.8	Very low	47	Very low	66 Å²	66	75.2 Å²	75.2	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-39.9	171.7	-74	166.5	0	0	0	111.9	L146 L147 Q148 L153 Q154 L457	L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.28Å; L147-L150 PolarHBondContact O-N 2.91Å; Q148-L150 PolarHBondContact O-N 2.91Å; L150-L153 PolarHBondContact O-N 3.25Å; L150-Q154 VanDerWaalsContact O-CB 3.32Å; L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 PolarHBondContact O-N 3.02Å; L150-L457 HydrophobicContact CD1-CD1 4.09Å; L150-L457 HydrophobicContact CD1-CD2 3.75Å; L150-L457 HydrophobicContact CD2-CD1 4.19Å; L150-L457 HydrophobicContact CD2-CD2 4.15Å
151	I	47.9	Very low	46.8	Very low	21 Å²	21	73.9 Å²	73.9	11%	0.108	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-47.4	173.3	-66.1	165.9	0	0	0	110	Y56 L147 Q148 L153 Q154 L155	Y56-I151 HydrophobicContact CD2-CD1 4.47Å; Y56-I151 HydrophobicContact CE2-CD1 4.13Å; Y56-I151 HydrophobicContact CE2-CG1 4.45Å; L147-I151 HydrophobicContact CD1-CD1 3.97Å; L147-I151 HydrophobicContact CD1-CG1 4.25Å; L147-I151 HydrophobicContact CG-CD1 4.11Å; L147-I151 WeakPolarHBondContact O-CG1 3.24Å; L147-I151 PolarHBondContact O-N 3.07Å; Q148-I151 PolarHBondContact O-N 3.35Å; I151-L153 PolarHBondContact O-N 3.15Å; I151-Q154 PolarHBondContact O-N 3.09Å; I151-L155 HydrophobicContact CG2-CD1 3.87Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 WeakPolarHBondContact O-CB 3.44Å; I151-L155 VanDerWaalsContact O-CG 3.25Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.43Å
152	E	49.3	Very low	46.4	Very low	76 Å²	76	73.2 Å²	73.2	36%	0.355	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-43.6	175.5	-73.1	175.2	-151.1	0	0	112.2	Q148 K149 A156	Q148-E152 PolarHBondContact NE2-OE1 3.25Å; Q148-E152 WeakPolarHBondContact O-CG 3.29Å; Q148-E152 PolarHBondContact O-N 2.98Å; K149-E152 WeakPolarHBondContact CD-OE2 3.4Å; K149-E152 WeakPolarHBondContact CE-OE2 3.33Å; K149-E152 IonicContact NZ-OE1 3.26Å; K149-E152 IonicContact NZ-OE2 2.72Å; K149-E152 PolarHBondContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact O-N 2.79Å; E152-A156 VanDerWaalsContact O-CB 3.23Å; E152-A156 WeakPolarHBondContact O-CB 3.49Å; E152-A156 PolarHBondContact O-N 2.9Å
153	L	47.2	Very low	45.7	Very low	115 Å²	115	75 Å²	75	60%	0.602	37%	0.372	S	S	*	.	H	α-helix	trans	-65.9	-44.3	177.6	-78.4	168.4	0	0	0	112.3	K149 L150 I151 L155 A156 E157	K149-L153 VanDerWaalsContact O-CB 3.3Å; K149-L153 WeakPolarHBondContact O-CB 3.47Å; K149-L153 VanDerWaalsContact O-CG 3.23Å; K149-L153 WeakPolarHBondContact O-CG 3.27Å; K149-L153 PolarHBondContact O-N 2.82Å; L150-L153 PolarHBondContact O-N 3.25Å; I151-L153 PolarHBondContact O-N 3.15Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.2Å; L153-A156 PolarHBondContact O-N 2.83Å; L153-E157 WeakPolarHBondContact O-CB 3.44Å; L153-E157 PolarHBondContact O-N 2.9Å
154	Q	46	Very low	45	Very low	67 Å²	67	76.6 Å²	76.6	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-38.3	179	-169.9	174.7	-4.1	0	0	111.3	L150 I151 H158	L150-Q154 VanDerWaalsContact O-CB 3.32Å; L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 PolarHBondContact O-N 3.02Å; I151-Q154 PolarHBondContact O-N 3.09Å; Q154-H158 PolarHBondContact O-CD2 3.1Å; Q154-H158 PolarHBondContact O-N 2.83Å
155	L	44.5	Very low	44.3	Very low	39 Å²	39	80.8 Å²	80.8	20%	0.204	41%	0.411	C	S	.	.	H	α-helix	trans	-66	-42.3	171.3	-68.3	170.8	0	0	0	111.5	I151 L153 H158 Y159	I151-L155 HydrophobicContact CG2-CD1 3.87Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 WeakPolarHBondContact O-CB 3.44Å; I151-L155 VanDerWaalsContact O-CG 3.25Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.43Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.2Å; L155-H158 PolarHBondContact O-N 3.39Å; L155-Y159 WeakPolarHBondContact O-CD2 3.35Å; L155-Y159 PolarHBondContact O-N 2.95Å
156	A	47.6	Very low	43.1	Very low	40 Å²	40	83 Å²	83	33%	0.331	42%	0.423	S	S	.	.	H	α-helix	trans	-65.9	-36.9	177.8	0	0	0	0	0	113	E152 L153 Y159 N160	E152-A156 VanDerWaalsContact O-CB 3.23Å; E152-A156 WeakPolarHBondContact O-CB 3.49Å; E152-A156 PolarHBondContact O-N 2.9Å; L153-A156 PolarHBondContact O-N 2.83Å; A156-Y159 PolarHBondContact O-N 3.2Å; A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 VanDerWaalsContact O-CG 3.3Å; A156-N160 PolarHBondContact O-N 3.29Å; A156-N160 PolarHBondContact O-ND2 2.92Å
157	E	44.4	Very low	42	Very low	144 Å²	144	85.5 Å²	85.5	67%	0.673	44%	0.435	S	S	*	.	H	α-helix	trans	-64.4	-42.5	173.9	-171.9	176.9	-172.2	0	0	111	L153 Y159 N160 S161	L153-E157 WeakPolarHBondContact O-CB 3.44Å; L153-E157 PolarHBondContact O-N 2.9Å; E157-Y159 VanDerWaalsContact C-N 3.34Å; E157-Y159 PolarHBondContact O-N 2.95Å; E157-N160 PolarHBondContact O-N 3.42Å; E157-S161 WeakPolarHBondContact O-CB 3.48Å; E157-S161 PolarHBondContact O-N 2.86Å
158	H	39.8	Very low	40.9	Very low	95 Å²	95	90.7 Å²	90.7	44%	0.44	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-41.5	171	-84.2	-67.7	0	0	0	112.4	Q154 L155 L162	Q154-H158 PolarHBondContact O-CD2 3.1Å; Q154-H158 PolarHBondContact O-N 2.83Å; L155-H158 PolarHBondContact O-N 3.39Å; H158-L162 WeakPolarHBondContact O-CB 3.41Å; H158-L162 PolarHBondContact O-N 3.22Å
159	Y	37.9	Very low	39.7	Very low	101 Å²	101	92.8 Å²	92.8	40%	0.396	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-38.7	175	-95.9	-77.5	0	0	0	113.5	L155 A156 E157 L162 K163 S206	L155-Y159 WeakPolarHBondContact O-CD2 3.35Å; L155-Y159 PolarHBondContact O-N 2.95Å; A156-Y159 PolarHBondContact O-N 3.2Å; E157-Y159 VanDerWaalsContact C-N 3.34Å; E157-Y159 PolarHBondContact O-N 2.95Å; Y159-L162 WeakPolarHBondContact O-CB 3.41Å; Y159-L162 PolarHBondContact O-N 2.91Å; Y159-K163 PolarHBondContact O-N 3.08Å; Y159-S206 VanDerWaalsContact OH-CB 3.23Å; Y159-S206 WeakPolarHBondContact OH-CB 3.39Å
160	N	35.9	Very low	38.6	Very low	89 Å²	89	96.9 Å²	96.9	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-71.7	-41	178.1	-71.1	-30.1	0	0	0	111.4	A156 E157 L162 K163 D164	A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 VanDerWaalsContact O-CG 3.3Å; A156-N160 PolarHBondContact O-N 3.29Å; A156-N160 PolarHBondContact O-ND2 2.92Å; E157-N160 PolarHBondContact O-N 3.42Å; N160-L162 PolarHBondContact O-N 3.5Å; N160-K163 WeakPolarHBondContact O-CB 3.25Å; N160-K163 PolarHBondContact O-N 2.94Å; N160-K163 VanDerWaalsContact O-N 3.08Å; N160-D164 PolarHBondContact O-N 3.35Å
161	S	38.9	Very low	37.6	Very low	48 Å²	48	100.5 Å²	100.5	34%	0.336	52%	0.52	S	S	.	.	H	α-helix	trans	-58.3	-36.1	170	-174.7	0	0	0	0	112.2	E157 T165	E157-S161 WeakPolarHBondContact O-CB 3.48Å; E157-S161 PolarHBondContact O-N 2.86Å; S161-T165 PolarHBondContact O-N 3.32Å; S161-T165 PolarHBondContact O-OG1 3.5Å
162	L	37.9	Very low	36.5	Very low	74 Å²	74	104 Å²	104	39%	0.387	55%	0.546	S	S	.	.	H	α-helix	trans	-68	-40.5	173.3	-142	83.2	0	0	0	112.3	H158 Y159 N160 T165 L166	H158-L162 WeakPolarHBondContact O-CB 3.41Å; H158-L162 PolarHBondContact O-N 3.22Å; Y159-L162 WeakPolarHBondContact O-CB 3.41Å; Y159-L162 PolarHBondContact O-N 2.91Å; N160-L162 PolarHBondContact O-N 3.5Å; L162-T165 PolarHBondContact O-N 3.47Å; L162-L166 PolarHBondContact O-N 2.93Å
163	K	35.9	Very low	35.4	Very low	127 Å²	127	107.2 Å²	107.2	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-40.3	175.4	-80.1	-176.4	176.4	176.6	0	112.9	Y159 N160 T165 L166	Y159-K163 PolarHBondContact O-N 3.08Å; N160-K163 WeakPolarHBondContact O-CB 3.25Å; N160-K163 PolarHBondContact O-N 2.94Å; N160-K163 VanDerWaalsContact O-N 3.08Å; K163-T165 PolarHBondContact O-N 2.95Å; K163-L166 CarbonylContact O-C 3.57Å; K163-L166 PolarHBondContact O-N 3.5Å
164	D	35	Very low	34.6	Very low	147 Å²	147	109.5 Å²	109.5	79%	0.786	58%	0.579	S	S	*	*	H	α-helix	trans	-67.7	-22.3	175.3	-73.4	-16	0	0	0	112.4	N160	N160-D164 PolarHBondContact O-N 3.35Å
165	T	33.9	Very low	33.6	Very low	108 Å²	108	115.6 Å²	115.6	66%	0.663	61%	0.607	S	S	*	*	H	α-helix	trans	-86.4	-29.2	174.7	-49.1	0	0	0	0	112.2	S161 L162 K163 I167	S161-T165 PolarHBondContact O-N 3.32Å; S161-T165 PolarHBondContact O-OG1 3.5Å; L162-T165 PolarHBondContact O-N 3.47Å; K163-T165 PolarHBondContact O-N 2.95Å; T165-I167 PolarHBondContact O-N 3.24Å
166	L	27.8	Very low	32.8	Very low	105 Å²	105	119 Å²	119	55%	0.55	63%	0.634	S	S	.	*	S	Bend	trans	-79.7	93.7	171.9	-79.5	164.7	0	0	0	110.1	L162 K163 L168	L162-L166 PolarHBondContact O-N 2.93Å; K163-L166 CarbonylContact O-C 3.57Å; K163-L166 PolarHBondContact O-N 3.5Å; L166-L168 PolarHBondContact O-N 3.12Å
167	I	27.5	Very low	31.8	Very low	149 Å²	149	126.3 Å²	126.3	76%	0.764	66%	0.662	S	S	*	*			trans	-63.5	84.8	165.6	-55.3	175.4	0	0	0	108.3	T165 T169	T165-I167 PolarHBondContact O-N 3.24Å; I167-T169 VanDerWaalsContact C-N 3.29Å; I167-T169 PolarHBondContact O-N 3.38Å; I167-T169 PolarHBondContact O-OG1 3.09Å
168	L	30.1	Very low	30.9	Very low	134 Å²	134	126.1 Å²	126.1	70%	0.702	67%	0.666	S	S	*	*			trans	-64.7	95.3	170.6	-81.3	170.5	0	0	0	107.9	L166 E170	L166-L168 PolarHBondContact O-N 3.12Å; L168-E170 PolarHBondContact O-N 2.97Å
169	T	25.2	Very low	30.3	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	68%	0.679	S	S	*	*			trans	-76.6	71.6	171.4	-50.1	0	0	0	0	107.3	I167	I167-T169 VanDerWaalsContact C-N 3.29Å; I167-T169 PolarHBondContact O-N 3.38Å; I167-T169 PolarHBondContact O-OG1 3.09Å
170	E	28.2	Very low	29.7	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.794	70%	0.702	S	S	*	*			trans	-101.6	101.8	170.2	-75.9	-161.4	136.5	0	0	110	L168 S172	L168-E170 PolarHBondContact O-N 2.97Å; E170-S172 PolarHBondContact O-N 3.45Å
171	D	28	Very low	29.1	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	72%	0.719	S	S	*	*			trans	-60.5	128.1	168.3	-79.9	-54.9	0	0	0	111.2
172	S	25.7	Very low	28.5	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	74%	0.736	S	S	*	*			trans	63.2	125.8	146.4	69.7	0	0	0	0	120.5	E170	E170-S172 PolarHBondContact O-N 3.45Å
173	N	26.9	Very low	27.8	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	76%	0.756	S	S	*	*			trans	55.3	99.3	140.3	-55.6	-17.3	0	0	0	118.4
174	N	29	Very low	27.2	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	77%	0.765	S	S	*	*				-164.7	138.8	104.5	-93	-36.1	0	0	0	112.4	S176	N174-S176 PolarHBondContact O-N 3.28Å
175	E	25.5	Very low	26.6	Very low	194 Å²	194	142.6 Å²	142.6	91%	0.907	77%	0.767	S	S	*	*			trans	-69.3	120.7	168.6	-67.2	173.8	109.8	0	0	110.3
176	S	28.3	Very low	26.1	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	77%	0.771	S	S	*	*			trans	-148.4	113.1	145.4	59	0	0	0	0	109.5	N174 N178	N174-S176 PolarHBondContact O-N 3.28Å; S176-N178 PolarHBondContact O-N 2.84Å
177	Q	26.6	Very low	25.7	Very low	194 Å²	194	147.1 Å²	147.1	91%	0.907	78%	0.783	S	S	*	*			trans	-71.2	97.7	176	-68.7	179.1	-5.9	0	0	109.4
178	N	25.2	Very low	25.4	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	78%	0.783	S	S	*	*			trans	-149.9	125.4	153.9	-110.1	-54.4	0	0	0	108.2	S176 K180	S176-N178 PolarHBondContact O-N 2.84Å; N178-K180 PolarHBondContact O-N 3.12Å
179	P	26.8	Very low	25.1	Very low	110 Å²	110	145.9 Å²	145.9	71%	0.714	79%	0.788	S	S	*	*			trans	-61.8	116.4	173.3	26.5	-32.1	0	0	0	107.8	L181	P179-L181 PolarHBondContact O-N 3.4Å
180	K	25.6	Very low	25	Very low	206 Å²	206	147 Å²	147	90%	0.896	79%	0.789	S	S	*	*			trans	-69.3	87	-180	-162.5	174.5	-172.9	177.9	0	107.8	N178 L182	N178-K180 PolarHBondContact O-N 3.12Å; K180-L182 PolarHBondContact O-N 2.86Å
181	L	23.3	Very low	25	Very low	158 Å²	158	148.4 Å²	148.4	83%	0.827	79%	0.793	S	S	*	*			trans	-46.5	122.1	179.9	-79.3	159.7	0	0	0	109.2	P179	P179-L181 PolarHBondContact O-N 3.4Å
182	L	25.3	Very low	24.8	Very low	131 Å²	131	149 Å²	149	69%	0.686	80%	0.796	S	S	*	*			trans	-56.4	128	175.2	-70.8	160.2	0	0	0	108.1	K180 C184	K180-L182 PolarHBondContact O-N 2.86Å; L182-C184 PolarHBondContact O-N 3.05Å
183	P	23.1	Very low	25.1	Very low	126 Å²	126	149.2 Å²	149.2	82%	0.818	80%	0.804	S	S	*	*			trans	-77.5	61.5	-179.9	33.1	-35.7	0	0	0	110.9	F185	P183-F185 PolarHBondContact O-N 2.78Å
184	C	24.5	Very low	25	Very low	110 Å²	110	146.6 Å²	146.6	74%	0.743	80%	0.797	S	S	*	*			trans	-87.4	13.9	171	-62.5	0	0	0	0	112.5	L182	L182-C184 PolarHBondContact O-N 3.05Å
185	F	21.4	Very low	24.8	Very low	185 Å²	185	143.7 Å²	143.7	81%	0.811	79%	0.789	S	S	*	*			trans	-104.7	95.8	170.4	-73.1	-78.8	0	0	0	109.5	P183 K187	P183-F185 PolarHBondContact O-N 2.78Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.49Å
186	V	23.6	Very low	24.8	Very low	124 Å²	124	142.1 Å²	142.1	75%	0.752	79%	0.787	S	S	*	*			trans	-62.6	103.2	155.8	179.1	0	0	0	0	106.1	N188	V186-N188 PolarHBondContact O-N 3.35Å; V186-N188 VanDerWaalsContact O-N 3.12Å
187	K	20.1	Very low	24.9	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	78%	0.783	S	S	*	*			trans	-63.3	115.7	167.8	-82.9	-173.8	173.4	-176.8	0	107.2	F185 S189	F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.49Å; K187-S189 VanDerWaalsContact C-N 3.33Å; K187-S189 PolarHBondContact O-N 2.73Å
188	N	22	Very low	24.9	Very low	142 Å²	142	138 Å²	138	76%	0.759	77%	0.772	S	S	*	*			trans	-56.2	104.4	157.7	-68.5	-19.6	0	0	0	106.5	V186 D190	V186-N188 PolarHBondContact O-N 3.35Å; V186-N188 VanDerWaalsContact O-N 3.12Å; N188-D190 PolarHBondContact O-N 3.12Å
189	S	23.4	Very low	24.8	Very low	115 Å²	115	137 Å²	137	80%	0.804	78%	0.776	S	S	*	*			trans	-75.9	81.7	174.9	57.7	0	0	0	0	107.9	K187 F191	K187-S189 VanDerWaalsContact C-N 3.33Å; K187-S189 PolarHBondContact O-N 2.73Å; S189-F191 PolarHBondContact O-N 2.96Å
190	D	22.3	Very low	24.7	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	78%	0.775	S	S	*	*			trans	-51.7	137.1	159.4	-79.5	-44	0	0	0	108.7	N188 D192	N188-D190 PolarHBondContact O-N 3.12Å; D190-D192 PolarHBondContact O-N 2.79Å
191	F	27.4	Very low	24.8	Very low	198 Å²	198	134 Å²	134	87%	0.868	77%	0.766	S	S	*	*			trans	-27.1	117.9	-179.6	-72.2	-102.6	0	0	0	115.2	S189	S189-F191 PolarHBondContact O-N 2.96Å
192	D	24.6	Very low	24.9	Very low	155 Å²	155	130.3 Å²	130.3	83%	0.829	75%	0.754	S	S	*	*			trans	-129.9	106.7	141.7	-125.6	-29	0	0	0	109.7	D190 S194	D190-D192 PolarHBondContact O-N 2.79Å; D192-S194 PolarHBondContact O-N 3.15Å
193	A	32.4	Very low	25.3	Very low	99 Å²	99	128.3 Å²	128.3	82%	0.818	74%	0.744	S	S	*	*			trans	-82.1	65.4	-172.4	0	0	0	0	0	111.2
194	S	23.5	Very low	25.6	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	74%	0.741	S	S	*	*			trans	-147.9	126	168.1	64	0	0	0	0	114.5	D192	D192-S194 PolarHBondContact O-N 3.15Å
195	S	25.5	Very low	26.1	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	75%	0.746	S	S	*	*	S	Bend	trans	58	108.4	162.3	52.6	0	0	0	0	120.6
196	N	26.2	Very low	27	Very low	161 Å²	161	124.7 Å²	124.7	86%	0.861	72%	0.716	S	S	*	*			trans	88.2	144.7	143.6	-68.5	-16.8	0	0	0	120.3
197	P	30.8	Very low	28.1	Very low	105 Å²	105	122 Å²	122	68%	0.682	70%	0.697	S	S	*	*			trans	-114.1	166.8	-153.8	43.4	-32.3	0	0	0	113.2
198	V	25.4	Very low	29.1	Very low	113 Å²	113	115.5 Å²	115.5	69%	0.685	67%	0.67	S	S	*	*			trans	62.6	55.8	166.1	-160.8	0	0	0	0	114	I200	V198-I200 HydrophobicContact CG1-CB 4.5Å; V198-I200 HydrophobicContact CG1-CD1 3.48Å; V198-I200 VanDerWaalsContact CG1-CD1 3.48Å; V198-I200 HydrophobicContact CG1-CG1 3.54Å; V198-I200 PolarHBondContact O-N 2.81Å
199	S	22.7	Very low	30.1	Very low	120 Å²	120	110.8 Å²	110.8	84%	0.839	65%	0.648	S	S	*	*			trans	-69.4	75.1	146.2	-58.9	0	0	0	0	108.7	V201	S199-V201 PolarHBondContact O-N 3.17Å; S199-V201 VanDerWaalsContact O-N 3.08Å
200	I	25.6	Very low	31.1	Very low	132 Å²	132	106.8 Å²	106.8	68%	0.677	62%	0.619	S	S	*	*			trans	-57	115.9	158.2	-74.8	156.3	0	0	0	104.9	V198 S202	V198-I200 HydrophobicContact CG1-CB 4.5Å; V198-I200 HydrophobicContact CG1-CD1 3.48Å; V198-I200 VanDerWaalsContact CG1-CD1 3.48Å; V198-I200 HydrophobicContact CG1-CG1 3.54Å; V198-I200 PolarHBondContact O-N 2.81Å; I200-S202 PolarHBondContact O-N 3.47Å
201	V	28.8	Very low	32.2	Very low	119 Å²	119	100.9 Å²	100.9	72%	0.721	59%	0.587	S	S	*	*			trans	-68.1	91.2	171.8	178.8	0	0	0	0	106.2	S199 N203	S199-V201 PolarHBondContact O-N 3.17Å; S199-V201 VanDerWaalsContact O-N 3.08Å; V201-N203 PolarHBondContact O-N 3.29Å
202	S	25.2	Very low	33.1	Very low	82 Å²	82	91.6 Å²	91.6	57%	0.573	55%	0.546	S	S	*	.			trans	-69.7	83.8	173.4	56.2	0	0	0	0	107.9	I200 E204	I200-S202 PolarHBondContact O-N 3.47Å; S202-E204 PolarHBondContact O-N 3.45Å
203	N	32.7	Very low	34.2	Very low	88 Å²	88	84.3 Å²	84.3	47%	0.471	51%	0.507	S	S	.	.			trans	-68.6	60.4	167.3	-103.4	3.7	0	0	0	109.5	V201 N205 S206	V201-N203 PolarHBondContact O-N 3.29Å; N203-N205 PolarHBondContact O-N 3.14Å; N203-N205 VanDerWaalsContact O-N 3.1Å; N203-S206 PolarHBondContact O-N 3.35Å; N203-S206 PolarHBondContact O-OG 2.97Å
204	E	30.5	Very low	34.8	Very low	160 Å²	160	81.3 Å²	81.3	75%	0.748	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.7	176.5	-74.2	-169.4	125.6	0	0	112.7	S202	S202-E204 PolarHBondContact O-N 3.45Å
205	N	34.9	Very low	36	Very low	160 Å²	160	77.4 Å²	77.4	86%	0.856	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	1.2	-177.7	-65.1	-22.3	0	0	0	114.3	N203	N203-N205 PolarHBondContact O-N 3.14Å; N203-N205 VanDerWaalsContact O-N 3.1Å
206	S	39	Very low	37.3	Very low	26 Å²	26	77.2 Å²	77.2	18%	0.182	44%	0.438	C	S	.	.			trans	-115.5	95.9	175.1	59.6	0	0	0	0	111.2	Y159 N203 M208	Y159-S206 VanDerWaalsContact OH-CB 3.23Å; Y159-S206 WeakPolarHBondContact OH-CB 3.39Å; N203-S206 PolarHBondContact O-N 3.35Å; N203-S206 PolarHBondContact O-OG 2.97Å; S206-M208 PolarHBondContact O-N 3.01Å; S206-M208 VanDerWaalsContact O-N 3.09Å
207	D	46.3	Very low	38.6	Very low	66 Å²	66	69.6 Å²	69.6	35%	0.353	40%	0.398	S	S	.	.	S	Bend	trans	-54.3	-23.9	173	-104.1	30.1	0	0	0	113.4	R331 H332	D207-R331 HydrophobicContact CB-CG 4.32Å; D207-R331 CarbonylContact O-C 3.25Å; D207-R331 VanDerWaalsContact O-CA 3.27Å; D207-R331 WeakPolarHBondContact O-CA 3.34Å; D207-R331 WeakPolarHBondContact O-CG 3.5Å; D207-R331 IonicContact OD2-CZ 3.66Å; D207-R331 VanDerWaalsContact OD2-CZ 3.26Å; D207-R331 IonicContact OD2-NE 2.82Å; D207-R331 PolarHBondContact OD2-NE 3.3Å; D207-R331 IonicContact OD2-NH2 2.84Å; D207-R331 PolarHBondContact OD2-NH2 3.31Å; D207-H332 PolarHBondContact O-N 2.89Å
208	M	41.1	Very low	39.6	Very low	50 Å²	50	67.5 Å²	67.5	25%	0.246	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.9	178.8	-63.3	-159.4	89.2	0	0	112.6	I89 S206 S329 V330 R331	I89-M208 HydrophobicContact CD1-CE 4.06Å; I89-M208 HydrophobicContact CG1-CE 4.3Å; S206-M208 PolarHBondContact O-N 3.01Å; S206-M208 VanDerWaalsContact O-N 3.09Å; M208-S329 WeakPolarHBondContact CE-O 3.23Å; M208-V330 WeakPolarHBondContact CA-O 3.3Å; M208-R331 HydrophobicContact CE-CB 4.19Å; M208-R331 HydrophobicContact CG-CB 4.15Å; M208-R331 HydrophobicContact CG-CG 4.26Å
209	S	44	Very low	41	Very low	42 Å²	42	64.2 Å²	64.2	29%	0.294	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.6	165.2	-71.7	0	0	0	0	109.8	F211 S329 V330	S209-F211 VanDerWaalsContact CB-CE2 3.43Å; S209-F211 WeakPolarHBondContact O-CD2 3.48Å; S209-S329 WeakPolarHBondContact O-CA 3.42Å; S209-V330 PolarHBondContact N-O 2.78Å; S209-V330 PolarHBondContact O-N 3.19Å
210	T	44.1	Very low	42.7	Very low	31 Å²	31	62.5 Å²	62.5	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.2	174.9	-51.3	0	0	0	0	110.4	L41 L327 S329	L41-T210 PolarHBondContact N-O 2.82Å; T210-L327 HydrophobicContact CG2-CD2 4.4Å; T210-S329 PolarHBondContact OG1-OG 2.93Å
211	F	45.9	Very low	44	Very low	19 Å²	19	56.8 Å²	56.8	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.9	179.4	-61.8	-80.7	0	0	0	111.7	A38 Y39 S209 V213 V244 L328 V330	A38-F211 HydrophobicContact CB-CB 3.99Å; A38-F211 HydrophobicContact CB-CD1 3.7Å; A38-F211 HydrophobicContact CB-CE1 4.46Å; A38-F211 HydrophobicContact CB-CG 3.99Å; Y39-F211 WeakPolarHBondContact O-CA 3.31Å; S209-F211 VanDerWaalsContact CB-CE2 3.43Å; S209-F211 WeakPolarHBondContact O-CD2 3.48Å; F211-V213 HydrophobicContact CB-CG2 4.34Å; F211-V244 HydrophobicContact CE1-CB 4.06Å; F211-V244 HydrophobicContact CE1-CG1 4.47Å; F211-V244 HydrophobicContact CE1-CG2 3.92Å; F211-L328 PolarHBondContact N-O 3.47Å; F211-L328 PolarHBondContact O-N 2.9Å; F211-V330 HydrophobicContact CD2-CB 4.31Å; F211-V330 HydrophobicContact CD2-CG2 3.92Å; F211-V330 HydrophobicContact CE2-CB 4.16Å; F211-V330 HydrophobicContact CE2-CG2 4.2Å
212	L	46.8	Very low	45.1	Very low	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.1	162.5	-168.2	90	0	0	0	109.7	Y39 L47 I94 F325 V326 L327	Y39-L212 PolarHBondContact N-O 2.85Å; Y39-L212 VanDerWaalsContact N-O 3.11Å; Y39-L212 PolarHBondContact O-N 3.08Å; L47-L212 HydrophobicContact CD1-CD2 3.26Å; L47-L212 HydrophobicContact CD1-CG 4.45Å; L47-L212 HydrophobicContact CD2-CD2 4.35Å; L47-L212 HydrophobicContact CG-CD2 4.45Å; I94-L212 HydrophobicContact CD1-CD1 4.15Å; L212-F325 HydrophobicContact CD1-CB 3.62Å; L212-F325 HydrophobicContact CD1-CG 4.25Å; L212-F325 HydrophobicContact CD2-CB 4.13Å; L212-F325 HydrophobicContact CD2-CD1 3.44Å; L212-F325 VanDerWaalsContact CD2-CD1 3.44Å; L212-F325 HydrophobicContact CD2-CE1 3.94Å; L212-F325 HydrophobicContact CD2-CG 3.86Å; L212-F325 HydrophobicContact CG-CB 3.8Å; L212-F325 HydrophobicContact CG-CD1 3.84Å; L212-F325 HydrophobicContact CG-CG 4.07Å; L212-V326 WeakPolarHBondContact CA-O 3.23Å; L212-L327 HydrophobicContact CD1-CD2 3.73Å; L212-L327 HydrophobicContact CD1-CG 4.4Å
213	V	46.3	Very low	46.1	Very low	2 Å²	2	58.3 Å²	58.3	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.6	-179	177.4	0	0	0	0	110.7	F36 A38 F211 V215 I229 F325 V326 L328	F36-V213 HydrophobicContact CD2-CG1 3.77Å; F36-V213 HydrophobicContact CD2-CG2 4.4Å; F36-V213 HydrophobicContact CE2-CB 4.31Å; F36-V213 HydrophobicContact CE2-CG1 3.57Å; F36-V213 HydrophobicContact CE2-CG2 3.71Å; F36-V213 HydrophobicContact CZ-CG1 4.33Å; A38-V213 HydrophobicContact CB-CG2 4.22Å; F211-V213 HydrophobicContact CB-CG2 4.34Å; V213-V215 HydrophobicContact CG1-CG1 4.5Å; V213-I229 HydrophobicContact CG1-CD1 4.39Å; V213-I229 HydrophobicContact CG1-CG1 4.23Å; V213-I229 HydrophobicContact CG1-CG2 3.9Å; V213-F325 CarbonylContact O-C 3.56Å; V213-F325 WeakPolarHBondContact O-CA 3.35Å; V213-V326 PolarHBondContact N-O 2.97Å; V213-V326 PolarHBondContact O-N 2.83Å; V213-L328 HydrophobicContact CB-CD1 4.28Å; V213-L328 HydrophobicContact CG2-CD1 3.87Å; V213-L328 HydrophobicContact CG2-CG 4.36Å
214	P	44.8	Very low	46.9	Very low	36 Å²	36	55.3 Å²	55.3	23%	0.234	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.7	175.8	29.4	-34	0	0	0	111.4	T230 F325	P214-T230 PolarHBondContact O-N 2.94Å; P214-F325 HydrophobicContact CB-CD1 4.17Å; P214-F325 HydrophobicContact CB-CE1 4.13Å
215	V	50.3	Low	47.8	Very low	8 Å²	8	49.4 Å²	49.4	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.5	-179	-64	0	0	0	0	112.1	V213 L227 H228 I229 P323 G324 V326	V213-V215 HydrophobicContact CG1-CG1 4.5Å; V215-L227 HydrophobicContact CG2-CD2 4.05Å; V215-H228 CarbonylContact C-O 3.5Å; V215-H228 WeakPolarHBondContact CA-O 3.37Å; V215-I229 HydrophobicContact CG1-CG1 4.13Å; V215-P323 CarbonylContact O-C 3.53Å; V215-P323 WeakPolarHBondContact O-CA 3.25Å; V215-G324 PolarHBondContact N-O 3.03Å; V215-G324 PolarHBondContact O-N 3.12Å; V215-G324 VanDerWaalsContact O-O 3.12Å; V215-V326 HydrophobicContact CB-CG2 4.15Å; V215-V326 HydrophobicContact CG1-CB 4.38Å; V215-V326 HydrophobicContact CG1-CG2 3.46Å; V215-V326 VanDerWaalsContact CG1-CG2 3.46Å; V215-V326 HydrophobicContact CG2-CG2 3.63Å
216	K	51.6	Low	48.5	Very low	98 Å²	98	42.3 Å²	42.3	43%	0.426	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.4	160.1	-79.7	171.1	-171.6	173.6	0	107.5	H228 T230 T321 R322	K216-H228 HydrophobicContact CB-CB 4.33Å; K216-H228 PolarHBondContact N-O 3.32Å; K216-H228 PolarHBondContact O-N 3.41Å; K216-T230 WeakPolarHBondContact CD-OG1 3.45Å; K216-T230 WeakPolarHBondContact CG-OG1 3.43Å; K216-T321 HydrophobicContact CB-CG2 3.64Å; K216-T321 HydrophobicContact CD-CG2 4.31Å; K216-T321 HydrophobicContact CG-CG2 4.09Å; K216-R322 CarbonylContact C-O 3.56Å; K216-R322 WeakPolarHBondContact CA-O 3.42Å
217	A	53	Low	49	Very low	2 Å²	2	41.3 Å²	41.3	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.1	173.3	0	0	0	0	0	110.3	F95 L225 S226 L227 T321 R322	F95-A217 HydrophobicContact CE1-CB 3.77Å; F95-A217 HydrophobicContact CZ-CB 4.12Å; A217-L225 HydrophobicContact CB-CD1 3.88Å; A217-L225 HydrophobicContact CB-CD2 4.4Å; A217-L225 HydrophobicContact CB-CG 4.23Å; A217-S226 CarbonylContact C-O 3.53Å; A217-S226 VanDerWaalsContact CA-O 3.27Å; A217-S226 WeakPolarHBondContact CA-O 3.45Å; A217-L227 HydrophobicContact CB-CD2 3.57Å; A217-T321 CarbonylContact O-C 3.56Å; A217-T321 VanDerWaalsContact O-CA 3.32Å; A217-T321 WeakPolarHBondContact O-CA 3.23Å; A217-R322 PolarHBondContact N-O 3.09Å; A217-R322 PolarHBondContact O-N 3.3Å
218	K	52.7	Low	49.2	Very low	61 Å²	61	41 Å²	41	27%	0.265	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	118.3	171.3	174.2	-164.4	178.2	-160.1	0	108.2	E220 S226	K218-E220 HydrophobicContact CD-CG 4.12Å; K218-E220 WeakPolarHBondContact CD-OE1 3.28Å; K218-E220 WeakPolarHBondContact CE-OE1 3.45Å; K218-E220 HydrophobicContact CG-CG 4.16Å; K218-E220 IonicContact NZ-OE1 3.84Å; K218-E220 PolarHBondContact NZ-OE1 2.88Å; K218-E220 PolarHBondContact O-N 2.83Å; K218-S226 WeakPolarHBondContact CB-OG 3.37Å; K218-S226 PolarHBondContact N-O 3.48Å; K218-S226 PolarHBondContact O-N 3.18Å; K218-S226 PolarHBondContact O-OG 2.86Å
219	F	55.9	Low	49.7	Very low	44 Å²	44	39.4 Å²	39.4	19%	0.193	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.4	178.5	-179.9	-123.1	0	0	0	109.7	G221 L225 V314 I317 R318 G319	F219-G221 VanDerWaalsContact C-N 3.32Å; F219-L225 HydrophobicContact CB-CD1 4.07Å; F219-V314 HydrophobicContact CD1-CG1 4.06Å; F219-V314 HydrophobicContact CE1-CG1 3.51Å; F219-V314 HydrophobicContact CZ-CG1 3.95Å; F219-I317 HydrophobicContact CB-CD1 4.06Å; F219-I317 HydrophobicContact CB-CG1 4.01Å; F219-I317 HydrophobicContact CD1-CG1 4.28Å; F219-I317 HydrophobicContact CG-CD1 4.48Å; F219-I317 HydrophobicContact CG-CG1 4.45Å; F219-R318 HydrophobicContact CD1-CB 3.94Å; F219-R318 HydrophobicContact CD1-CG 4.01Å; F219-R318 HydrophobicContact CE1-CB 4.4Å; F219-R318 HydrophobicContact CE1-CG 4.19Å; F219-R318 WeakPolarHBondContact O-CA 3.37Å; F219-G319 PolarHBondContact O-N 3.44Å
220	E	56.9	Low	49.9	Very low	83 Å²	83	39.4 Å²	39.4	39%	0.388	21%	0.212	S	C	.	.			trans	-97	23.5	-176.3	-60.4	-159.1	141.1	0	0	112.4	K218 E222 S223 G224	K218-E220 HydrophobicContact CD-CG 4.12Å; K218-E220 WeakPolarHBondContact CD-OE1 3.28Å; K218-E220 WeakPolarHBondContact CE-OE1 3.45Å; K218-E220 HydrophobicContact CG-CG 4.16Å; K218-E220 IonicContact NZ-OE1 3.84Å; K218-E220 PolarHBondContact NZ-OE1 2.88Å; K218-E220 PolarHBondContact O-N 2.83Å; E220-E222 PolarHBondContact O-N 3.02Å; E220-S223 PolarHBondContact O-N 3.38Å; E220-G224 PolarHBondContact N-O 3.48Å
221	G	54.1	Low	49.9	Very low	13 Å²	13	40.3 Å²	40.3	13%	0.134	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	65.9	-106.7	178.6	0	0	0	0	0	111.4	F219 S223 G224	F219-G221 VanDerWaalsContact C-N 3.32Å; G221-S223 VanDerWaalsContact C-N 3.32Å; G221-S223 PolarHBondContact O-N 3.25Å; G221-G224 PolarHBondContact O-N 2.96Å
222	E	51.8	Low	49.6	Very low	148 Å²	148	47 Å²	47	69%	0.692	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-69.6	-28.5	-178.7	-63.4	179.2	-169.7	0	0	112.7	E220 G224	E220-E222 PolarHBondContact O-N 3.02Å; E222-G224 PolarHBondContact O-N 3.46Å
223	S	45.5	Very low	49.4	Very low	85 Å²	85	53.6 Å²	53.6	59%	0.594	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-79.2	-1	176.7	-54.5	0	0	0	0	113.7	E220 G221	E220-S223 PolarHBondContact O-N 3.38Å; G221-S223 VanDerWaalsContact C-N 3.32Å; G221-S223 PolarHBondContact O-N 3.25Å
224	G	50.3	Low	48.9	Very low	24 Å²	24	58.4 Å²	58.4	25%	0.247	30%	0.304	C	S	.	.			trans	84.9	-159.5	176.4	0	0	0	0	0	114.6	E220 G221 E222	E220-G224 PolarHBondContact N-O 3.48Å; G221-G224 PolarHBondContact O-N 2.96Å; E222-G224 PolarHBondContact O-N 3.46Å
225	L	48.8	Very low	48.4	Very low	36 Å²	36	64.2 Å²	64.2	19%	0.188	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.6	179	-171.3	71.6	0	0	0	109.8	M57 F93 F95 A217 F219 L227	M57-L225 HydrophobicContact CE-CD2 3.97Å; F93-L225 HydrophobicContact CD1-CD2 4.36Å; F93-L225 HydrophobicContact CD2-CD2 3.97Å; F93-L225 HydrophobicContact CE1-CD2 4.34Å; F93-L225 HydrophobicContact CE2-CD2 3.88Å; F93-L225 HydrophobicContact CG-CD2 4.2Å; F93-L225 HydrophobicContact CZ-CD2 4.09Å; F95-L225 HydrophobicContact CZ-CD2 4.48Å; A217-L225 HydrophobicContact CB-CD1 3.88Å; A217-L225 HydrophobicContact CB-CD2 4.4Å; A217-L225 HydrophobicContact CB-CG 4.23Å; F219-L225 HydrophobicContact CB-CD1 4.07Å; L225-L227 HydrophobicContact CD2-CD2 4.04Å; L225-L227 HydrophobicContact CD2-CG 4.34Å; L225-L227 HydrophobicContact CG-CD2 4.33Å; L225-L227 HydrophobicContact CG-CG 4.35Å
226	S	49.5	Very low	47.5	Very low	12 Å²	12	67.6 Å²	67.6	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.4	167.6	64	0	0	0	0	109.8	A217 K218	A217-S226 CarbonylContact C-O 3.53Å; A217-S226 VanDerWaalsContact CA-O 3.27Å; A217-S226 WeakPolarHBondContact CA-O 3.45Å; K218-S226 WeakPolarHBondContact CB-OG 3.37Å; K218-S226 PolarHBondContact N-O 3.48Å; K218-S226 PolarHBondContact O-N 3.18Å; K218-S226 PolarHBondContact O-OG 2.86Å
227	L	48.9	Very low	46.5	Very low	5 Å²	5	72.3 Å²	72.3	3%	0.026	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.8	-178.4	-67.9	159	0	0	0	108.4	F93 V215 A217 L225 V254 L255 V326	F93-L227 HydrophobicContact CD1-CD1 4.39Å; F93-L227 HydrophobicContact CD1-CD2 4.13Å; F93-L227 HydrophobicContact CE1-CD1 3.37Å; F93-L227 HydrophobicContact CE1-CD2 3.89Å; F93-L227 HydrophobicContact CE1-CG 4.27Å; F93-L227 HydrophobicContact CZ-CD1 3.68Å; V215-L227 HydrophobicContact CG2-CD2 4.05Å; A217-L227 HydrophobicContact CB-CD2 3.57Å; L225-L227 HydrophobicContact CD2-CD2 4.04Å; L225-L227 HydrophobicContact CD2-CG 4.34Å; L225-L227 HydrophobicContact CG-CD2 4.33Å; L225-L227 HydrophobicContact CG-CG 4.35Å; L227-V254 WeakPolarHBondContact O-CA 3.43Å; L227-L255 HydrophobicContact CD1-CB 4.23Å; L227-L255 HydrophobicContact CD1-CD1 3.99Å; L227-V326 HydrophobicContact CD2-CG2 4.43Å
228	H	51.4	Low	45.5	Very low	59 Å²	59	76.4 Å²	76.4	27%	0.273	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.5	173.7	-58.7	-77.1	0	0	0	108.8	V215 K216 T230	V215-H228 CarbonylContact C-O 3.5Å; V215-H228 WeakPolarHBondContact CA-O 3.37Å; K216-H228 HydrophobicContact CB-CB 4.33Å; K216-H228 PolarHBondContact N-O 3.32Å; K216-H228 PolarHBondContact O-N 3.41Å; H228-T230 PolarHBondContact O-N 3.37Å
229	I	51.1	Low	44.6	Very low	16 Å²	16	80.3 Å²	80.3	8%	0.082	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	126.9	168.4	-59.7	174.8	0	0	0	107.4	F36 V213 V215 P231 I253	F36-I229 HydrophobicContact CB-CG2 4.15Å; F36-I229 HydrophobicContact CD1-CG2 3.64Å; F36-I229 HydrophobicContact CD2-CG2 4.11Å; F36-I229 HydrophobicContact CE1-CD1 4.22Å; F36-I229 HydrophobicContact CE1-CG2 3.97Å; F36-I229 HydrophobicContact CE2-CG2 4.42Å; F36-I229 HydrophobicContact CG-CG2 3.7Å; F36-I229 HydrophobicContact CZ-CD1 4.2Å; F36-I229 HydrophobicContact CZ-CG2 4.35Å; V213-I229 HydrophobicContact CG1-CD1 4.39Å; V213-I229 HydrophobicContact CG1-CG1 4.23Å; V213-I229 HydrophobicContact CG1-CG2 3.9Å; V215-I229 HydrophobicContact CG1-CG1 4.13Å; I229-P231 VanDerWaalsContact O-CD 3.23Å; I229-P231 WeakPolarHBondContact O-CD 3.33Å; I229-I253 HydrophobicContact CD1-CB 4.36Å; I229-I253 HydrophobicContact CD1-CD1 4.09Å; I229-I253 HydrophobicContact CD1-CG2 4.44Å
230	T	49.1	Very low	43.7	Very low	42 Å²	42	87.8 Å²	87.8	26%	0.258	48%	0.479	S	S	.	.			trans	-94.1	105.6	179.6	-57.3	0	0	0	0	108.2	P214 K216 H228	P214-T230 PolarHBondContact O-N 2.94Å; K216-T230 WeakPolarHBondContact CD-OG1 3.45Å; K216-T230 WeakPolarHBondContact CG-OG1 3.43Å; H228-T230 PolarHBondContact O-N 3.37Å
231	P	42.6	Very low	42.8	Very low	50 Å²	50	85.8 Å²	85.8	33%	0.325	48%	0.48	S	S	.	.			trans	-60.5	147.2	169	28	-34.1	0	0	0	109.3	P34 I229	P34-P231 HydrophobicContact CB-CB 3.94Å; P34-P231 HydrophobicContact CB-CG 4.22Å; I229-P231 VanDerWaalsContact O-CD 3.23Å; I229-P231 WeakPolarHBondContact O-CD 3.33Å
232	R	40.6	Very low	42.1	Very low	160 Å²	160	90.3 Å²	90.3	60%	0.604	51%	0.51	S	S	*	.			trans	-108.1	122	171.6	-97.1	-165.2	168.8	-163.1	-3.7	108.3
233	D	41.3	Very low	41.5	Very low	141 Å²	141	84.6 Å²	84.6	75%	0.754	49%	0.486	S	S	*	.			trans	-81.8	-4.7	172.4	-59.3	-37.3	0	0	0	112.3	V235	D233-V235 PolarHBondContact O-N 2.81Å; D233-V235 VanDerWaalsContact O-N 3.08Å
234	D	37.6	Very low	41.4	Very low	104 Å²	104	83.2 Å²	83.2	56%	0.556	47%	0.474	S	S	*	.			trans	-76.3	99.2	-171.7	-65.9	-44.1	0	0	0	112.9	S236	D234-S236 PolarHBondContact O-N 2.87Å
235	V	34.4	Very low	40.8	Very low	158 Å²	158	86.3 Å²	86.3	96%	0.958	49%	0.488	S	S	*	.			trans	-69	68.4	158.8	-171.5	0	0	0	0	109.2	D233	D233-V235 PolarHBondContact O-N 2.81Å; D233-V235 VanDerWaalsContact O-N 3.08Å
236	S	31.5	Very low	40.4	Very low	78 Å²	78	86.6 Å²	86.6	55%	0.545	49%	0.491	S	S	.	.			trans	-121.9	132	177.7	66.8	0	0	0	0	110.7	D234 S238	D234-S236 PolarHBondContact O-N 2.87Å; S236-S238 PolarHBondContact O-N 2.66Å
237	Q	29.5	Very low	39.8	Very low	198 Å²	198	89 Å²	89	93%	0.925	51%	0.512	S	S	*	.			trans	-51.9	130.2	-165.1	-66.6	166.1	-7.8	0	0	113.9
238	S	33.1	Very low	39.1	Very low	88 Å²	88	89.1 Å²	89.1	62%	0.615	51%	0.513	S	S	*	.			trans	-71.5	129.7	-174.5	52.6	0	0	0	0	113.7	S236 Q240	S236-S238 PolarHBondContact O-N 2.66Å; S238-Q240 PolarHBondContact O-N 2.8Å
239	T	33.2	Very low	38.4	Very low	142 Å²	142	88.6 Å²	88.6	87%	0.871	52%	0.515	S	S	*	.			trans	-71.4	85	169.8	-37.9	0	0	0	0	111.4	G241	T239-G241 PolarHBondContact O-N 3.23Å
240	Q	36.9	Very low	37.5	Very low	202 Å²	202	93 Å²	93	94%	0.944	55%	0.547	S	S	*	.	S	Bend	trans	45.8	-8.8	162.4	-74.2	-167.9	-20.6	0	0	122.6	S238	S238-Q240 PolarHBondContact O-N 2.8Å
241	G	38.6	Very low	36.7	Very low	40 Å²	40	97.6 Å²	97.6	41%	0.412	57%	0.566	S	S	.	*	S	Bend	trans	-99.2	136.8	161.5	0	0	0	0	0	109.7	T239 P243	T239-G241 PolarHBondContact O-N 3.23Å; G241-P243 WeakPolarHBondContact O-CD 3.41Å
242	S	39.2	Very low	36.1	Very low	108 Å²	108	99.4 Å²	99.4	76%	0.755	58%	0.577	S	S	*	*			trans	-72.8	109.6	175.5	-174.2	0	0	0	0	109.6
243	P	39.5	Very low	35.8	Very low	29 Å²	29	93.2 Å²	93.2	19%	0.188	56%	0.556	C	S	.	*			trans	-69.2	145.6	174.8	31.1	-33.8	0	0	0	109.7	N37 Y39 G241	N37-P243 HydrophobicContact CB-CB 3.8Å; Y39-P243 HydrophobicContact CE1-CB 4.43Å; G241-P243 WeakPolarHBondContact O-CD 3.41Å
244	V	43.5	Very low	35.3	Very low	56 Å²	56	87.5 Å²	87.5	34%	0.339	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.3	167.6	179.4	0	0	0	0	107.6	A38 F211 V246	A38-V244 PolarHBondContact N-O 2.89Å; A38-V244 PolarHBondContact O-N 3.25Å; A38-V244 VanDerWaalsContact O-N 3.14Å; F211-V244 HydrophobicContact CE1-CB 4.06Å; F211-V244 HydrophobicContact CE1-CG1 4.47Å; F211-V244 HydrophobicContact CE1-CG2 3.92Å; V244-V246 HydrophobicContact CG1-CG2 4.38Å; V244-V246 PolarHBondContact O-N 3.31Å
245	T	36.8	Very low	35.2	Very low	89 Å²	89	83.1 Å²	83.1	55%	0.546	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	111.2	177.1	-59.1	0	0	0	0	109.6	A35 F36 N37	A35-T245 HydrophobicContact CB-CG2 3.45Å; A35-T245 VanDerWaalsContact CB-CG2 3.45Å; F36-T245 WeakPolarHBondContact O-CA 3.33Å; N37-T245 PolarHBondContact OD1-OG1 3.32Å
246	V	41.2	Very low	35.2	Very low	42 Å²	42	81.9 Å²	81.9	26%	0.255	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.5	177.5	-176.7	0	0	0	0	108.9	A35 F36 A38 V244 C248	A35-V246 VanDerWaalsContact CA-O 3.31Å; A35-V246 WeakPolarHBondContact CA-O 3.48Å; A35-V246 WeakPolarHBondContact CB-O 3.47Å; F36-V246 HydrophobicContact CD1-CB 4.27Å; F36-V246 HydrophobicContact CD2-CB 4.36Å; F36-V246 HydrophobicContact CE1-CB 3.77Å; F36-V246 HydrophobicContact CE1-CG1 3.74Å; F36-V246 HydrophobicContact CE2-CB 3.85Å; F36-V246 HydrophobicContact CE2-CG1 4.38Å; F36-V246 HydrophobicContact CE2-CG2 4.1Å; F36-V246 HydrophobicContact CZ-CB 3.55Å; F36-V246 HydrophobicContact CZ-CG1 3.61Å; F36-V246 HydrophobicContact CZ-CG2 4.13Å; F36-V246 PolarHBondContact N-O 2.86Å; F36-V246 PolarHBondContact O-N 3.43Å; A38-V246 HydrophobicContact CB-CG2 4Å; V244-V246 HydrophobicContact CG1-CG2 4.38Å; V244-V246 PolarHBondContact O-N 3.31Å; V246-C248 PolarHBondContact O-N 3.39Å
247	A	35.2	Very low	35	Very low	63 Å²	63	82.4 Å²	82.4	52%	0.521	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123	174.7	0	0	0	0	0	110.2
248	C	35.7	Very low	34.9	Very low	7 Å²	7	77.7 Å²	77.7	5%	0.047	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-94	140.3	172.6	-153.7	0	0	0	0	109.1	P34 F36 V246	P34-C248 VanDerWaalsContact O-CA 3.29Å; P34-C248 WeakPolarHBondContact O-CA 3.12Å; P34-C248 WeakPolarHBondContact O-CB 3.41Å; P34-C248 PolarHBondContact O-N 2.96Å; F36-C248 HydrophobicContact CD1-CB 4.13Å; F36-C248 HydrophobicContact CE1-CB 4.42Å; V246-C248 PolarHBondContact O-N 3.39Å
249	P	35.4	Very low	34.7	Very low	47 Å²	47	77.9 Å²	77.9	31%	0.305	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-54.3	149.6	160.6	-18.9	31.8	0	0	0	109.8	A71 Q251	A71-P249 HydrophobicContact CB-CB 3.86Å; A71-P249 HydrophobicContact CB-CG 3.37Å; P249-Q251 PolarHBondContact O-N 2.99Å
250	S	32.9	Very low	34.4	Very low	110 Å²	110	76.7 Å²	76.7	77%	0.769	45%	0.453	S	S	*	.	S	Bend	trans	-66.1	-1.5	177.9	55.5	0	0	0	0	114.7
251	Q	32.7	Very low	33.9	Very low	137 Å²	137	75.4 Å²	75.4	64%	0.64	45%	0.447	S	S	*	.	S	Bend	trans	-100.7	137.5	173.5	-64.8	-178.7	-4.8	0	0	109.7	P249 I253	P249-Q251 PolarHBondContact O-N 2.99Å; Q251-I253 PolarHBondContact O-N 2.8Å; Q251-I253 VanDerWaalsContact O-N 3.09Å
252	P	30	Very low	33.4	Very low	88 Å²	88	81.2 Å²	81.2	57%	0.571	46%	0.464	S	S	*	.			trans	-60.1	118.5	177	25.6	-33.5	0	0	0	109.7	V254	P252-V254 PolarHBondContact O-N 3.48Å
253	I	33.5	Very low	32.9	Very low	30 Å²	30	82.9 Å²	82.9	15%	0.154	46%	0.464	C	S	.	.			trans	-64.3	105.4	172.5	-66.1	171.6	0	0	0	107.4	L68 I229 Q251 L255	L68-I253 HydrophobicContact CD2-CD1 4.23Å; L68-I253 HydrophobicContact CD2-CG2 3.44Å; L68-I253 VanDerWaalsContact CD2-CG2 3.44Å; I229-I253 HydrophobicContact CD1-CB 4.36Å; I229-I253 HydrophobicContact CD1-CD1 4.09Å; I229-I253 HydrophobicContact CD1-CG2 4.44Å; Q251-I253 PolarHBondContact O-N 2.8Å; Q251-I253 VanDerWaalsContact O-N 3.09Å; I253-L255 HydrophobicContact CG2-CD2 3.84Å; I253-L255 HydrophobicContact CG2-CG 4.26Å
254	V	32.1	Very low	32.3	Very low	21 Å²	21	88.6 Å²	88.6	13%	0.127	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-97.6	114.1	169.9	-172.8	0	0	0	0	108.2	L227 P252 Y256	L227-V254 WeakPolarHBondContact O-CA 3.43Å; P252-V254 PolarHBondContact O-N 3.48Å; V254-Y256 HydrophobicContact CB-CD2 4.36Å; V254-Y256 HydrophobicContact CB-CE2 3.7Å; V254-Y256 HydrophobicContact CG1-CD1 4.47Å; V254-Y256 HydrophobicContact CG1-CD2 4.11Å; V254-Y256 HydrophobicContact CG1-CE1 3.95Å; V254-Y256 HydrophobicContact CG1-CE2 3.54Å; V254-Y256 VanDerWaalsContact CG1-CZ 3.45Å; V254-Y256 WeakPolarHBondContact O-CD2 3.29Å; V254-Y256 PolarHBondContact O-N 3.16Å
255	L	35.4	Very low	31.6	Very low	13 Å²	13	90.9 Å²	90.9	7%	0.068	51%	0.512	C	S	.	.			trans	-82.2	114.6	176.2	-59.9	174.8	0	0	0	108.8	L66 L68 L227 I253	L66-L255 HydrophobicContact CB-CD2 4.3Å; L66-L255 HydrophobicContact CD1-CB 4.23Å; L66-L255 HydrophobicContact CD1-CD1 3.91Å; L68-L255 HydrophobicContact CD2-CD2 3.76Å; L227-L255 HydrophobicContact CD1-CB 4.23Å; L227-L255 HydrophobicContact CD1-CD1 3.99Å; I253-L255 HydrophobicContact CG2-CD2 3.84Å; I253-L255 HydrophobicContact CG2-CG 4.26Å
256	Y	33.1	Very low	31.1	Very low	132 Å²	132	93 Å²	93	52%	0.518	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-103.3	151.6	173.8	-65.7	-80.8	0	0	0	110.4	V254 F258	V254-Y256 HydrophobicContact CB-CD2 4.36Å; V254-Y256 HydrophobicContact CB-CE2 3.7Å; V254-Y256 HydrophobicContact CG1-CD1 4.47Å; V254-Y256 HydrophobicContact CG1-CD2 4.11Å; V254-Y256 HydrophobicContact CG1-CE1 3.95Å; V254-Y256 HydrophobicContact CG1-CE2 3.54Å; V254-Y256 VanDerWaalsContact CG1-CZ 3.45Å; V254-Y256 WeakPolarHBondContact O-CD2 3.29Å; V254-Y256 PolarHBondContact O-N 3.16Å; Y256-F258 PolarHBondContact O-N 3.2Å
257	P	27.7	Very low	30.5	Very low	89 Å²	89	99.8 Å²	99.8	58%	0.578	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-62.4	129	167.1	26.7	-32.9	0	0	0	110.3	V64 S259	V64-P257 HydrophobicContact CG1-CB 3.97Å; P257-S259 PolarHBondContact O-N 3.45Å
258	F	27.8	Very low	30.1	Very low	99 Å²	99	104.3 Å²	104.3	43%	0.434	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-56.9	123	176.1	-177	-92.1	0	0	0	112	V64 Y256 V260	V64-F258 HydrophobicContact CG1-CB 3.87Å; Y256-F258 PolarHBondContact O-N 3.2Å; F258-V260 HydrophobicContact CD1-CG2 4.4Å; F258-V260 HydrophobicContact CE1-CG2 4.16Å
259	S	27.7	Very low	29.7	Very low	92 Å²	92	111 Å²	111	64%	0.643	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-95.9	128.1	170	52.7	0	0	0	0	110.5	P257 Q261	P257-S259 PolarHBondContact O-N 3.45Å; S259-Q261 PolarHBondContact O-N 3.35Å
260	V	27.5	Very low	29.2	Very low	116 Å²	116	114 Å²	114	70%	0.703	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-71.2	118.5	177.1	-178.1	0	0	0	0	109.1	F258 Q262	F258-V260 HydrophobicContact CD1-CG2 4.4Å; F258-V260 HydrophobicContact CE1-CG2 4.16Å; V260-Q262 PolarHBondContact O-N 3.33Å
261	Q	27.5	Very low	29.8	Very low	175 Å²	175	114.9 Å²	114.9	82%	0.818	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-63	121.3	164.8	-74.9	179.2	-29	0	0	108.7	S259	S259-Q261 PolarHBondContact O-N 3.35Å
262	Q	27.8	Very low	29.6	Very low	162 Å²	162	113.2 Å²	113.2	76%	0.757	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-87.8	117.8	166.2	-74.1	-171.8	-15	0	0	108.6	V260 N264	V260-Q262 PolarHBondContact O-N 3.33Å; Q262-N264 PolarHBondContact O-N 3.09Å; Q262-N264 VanDerWaalsContact O-N 3.16Å
263	D	27.7	Very low	29.4	Very low	143 Å²	143	114.3 Å²	114.3	77%	0.765	66%	0.655	S	S	*	*			trans	-66.2	108.7	173	-69.5	-50.2	0	0	0	110.2	S265	D263-S265 PolarHBondContact O-N 3.2Å
264	N	26.2	Very low	28.9	Very low	150 Å²	150	122.2 Å²	122.2	80%	0.802	69%	0.691	S	S	*	*			trans	-80.7	61.1	170.5	-79.2	-22.8	0	0	0	110.7	Q262 T266	Q262-N264 PolarHBondContact O-N 3.09Å; Q262-N264 VanDerWaalsContact O-N 3.16Å; N264-T266 VanDerWaalsContact C-N 3.31Å; N264-T266 PolarHBondContact O-N 3.27Å; N264-T266 VanDerWaalsContact O-N 3.13Å
265	S	29.6	Very low	28.7	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	72%	0.721	S	S	*	*			trans	-83.8	73.2	171.9	53.1	0	0	0	0	111.3	D263	D263-S265 PolarHBondContact O-N 3.2Å
266	T	26.8	Very low	28.1	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	76%	0.758	S	S	*	*			trans	-108.9	58.5	170.8	-20.5	0	0	0	0	110.8	N264 D268	N264-T266 VanDerWaalsContact C-N 3.31Å; N264-T266 PolarHBondContact O-N 3.27Å; N264-T266 VanDerWaalsContact O-N 3.13Å; T266-D268 PolarHBondContact O-N 2.78Å
267	E	27.5	Very low	27.9	Very low	185 Å²	185	130.1 Å²	130.1	86%	0.864	77%	0.765	S	S	*	*			trans	-87.3	98.5	171.6	-67.7	-168.2	133.6	0	0	110.3
268	D	26.7	Very low	27.8	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	78%	0.78	S	S	*	*			trans	171.2	80	133.9	-98.4	-22.1	0	0	0	111.3	T266	T266-D268 PolarHBondContact O-N 2.78Å
269	T	29.2	Very low	27.9	Very low	146 Å²	146	133.4 Å²	133.4	90%	0.896	79%	0.794	S	S	*	*			trans	-147.4	130.6	142.1	-50.7	0	0	0	0	109.6
270	S	24	Very low	28.1	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	80%	0.802	S	S	*	*			trans	-91.2	-177.1	-167.1	70.3	0	0	0	0	111.8
271	P	45.5	Very low	28.3	Very low	127 Å²	127	134.8 Å²	134.8	83%	0.825	81%	0.809	S	S	*	*				-104	154.5	-120.4	37.2	-26.5	0	0	0	114.9
272	A	29.5	Very low	28.2	Very low	103 Å²	103	129.9 Å²	129.9	85%	0.851	81%	0.806	S	S	*	*			trans	-126.9	131.9	166.7	0	0	0	0	0	111
273	S	25	Very low	28.3	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	80%	0.795	S	S	*	*			trans	-75.4	155.8	-170.7	-51.3	0	0	0	0	114.5
274	Q	23.8	Very low	28.4	Very low	195 Å²	195	124.3 Å²	124.3	91%	0.911	80%	0.8	S	S	*	*			trans	60.4	91.9	153.4	-68	177.4	-6.4	0	0	118.4
275	A	27.2	Very low	28.4	Very low	92 Å²	92	123.2 Å²	123.2	76%	0.76	80%	0.8	S	S	*	*				-151.2	129.8	128.9	0	0	0	0	0	109.5	P277	A275-P277 VanDerWaalsContact O-CD 3.29Å; A275-P277 WeakPolarHBondContact O-CD 3.49Å
276	V	22.8	Very low	28.2	Very low	141 Å²	141	122.5 Å²	122.5	86%	0.855	80%	0.8	S	S	*	*			trans	-88.8	120.7	161.3	175.9	0	0	0	0	107.1
277	P	28.9	Very low	28.2	Very low	100 Å²	100	124.1 Å²	124.1	65%	0.649	80%	0.798	S	S	*	*			trans	-116.1	145.7	147.1	35.2	-28.9	0	0	0	110.4	A275 A279	A275-P277 VanDerWaalsContact O-CD 3.29Å; A275-P277 WeakPolarHBondContact O-CD 3.49Å; P277-A279 VanDerWaalsContact C-N 3.34Å; P277-A279 PolarHBondContact O-N 3.07Å
278	D	24.6	Very low	28.1	Very low	168 Å²	168	119.9 Å²	119.9	90%	0.898	79%	0.785	S	S	*	*			trans	-63.6	88.8	175.2	-65.3	-63	0	0	0	111.4
279	A	31	Very low	28	Very low	88 Å²	88	118.7 Å²	118.7	73%	0.727	77%	0.773	S	S	*	*			trans	-96.6	82	169.7	0	0	0	0	0	109.2	P277 S281	P277-A279 VanDerWaalsContact C-N 3.34Å; P277-A279 PolarHBondContact O-N 3.07Å; A279-S281 PolarHBondContact O-N 3.32Å
280	S	31.2	Very low	28	Very low	116 Å²	116	114.8 Å²	114.8	81%	0.811	75%	0.749	S	S	*	*			trans	-51.2	128.1	164.2	54.7	0	0	0	0	109	G282	S280-G282 PolarHBondContact O-N 2.91Å
281	S	31.9	Very low	28.5	Very low	121 Å²	121	115.1 Å²	115.1	85%	0.846	74%	0.739	S	S	*	*			trans	-57.8	89.9	-168.9	55.1	0	0	0	0	113.2	A279 G283	A279-S281 PolarHBondContact O-N 3.32Å; S281-G283 PolarHBondContact O-N 2.95Å
282	G	25.4	Very low	28.1	Very low	73 Å²	73	116.7 Å²	116.7	75%	0.753	73%	0.733	S	S	*	*			trans	-67.1	101.3	165.8	0	0	0	0	0	108.7	S280	S280-G282 PolarHBondContact O-N 2.91Å
283	G	29.7	Very low	28.4	Very low	52 Å²	52	115.1 Å²	115.1	54%	0.536	71%	0.711	S	S	.	*			trans	-55.1	154	163.2	0	0	0	0	0	109.9	S281 T285	S281-G283 PolarHBondContact O-N 2.95Å; G283-T285 PolarHBondContact O-N 3.11Å
284	P	30.9	Very low	28.7	Very low	135 Å²	135	113.2 Å²	113.2	88%	0.877	69%	0.691	S	S	*	*			trans	-57.6	109.7	-171.1	23.3	-33.7	0	0	0	110.5	A286	P284-A286 PolarHBondContact O-N 2.82Å
285	T	25	Very low	29	Very low	128 Å²	128	106.8 Å²	106.8	79%	0.785	66%	0.663	S	S	*	*			trans	-60.3	126.9	174.6	46.2	0	0	0	0	108.6	G283 Q287	G283-T285 PolarHBondContact O-N 3.11Å; T285-Q287 PolarHBondContact O-N 3.12Å
286	A	25.8	Very low	29.2	Very low	89 Å²	89	108.3 Å²	108.3	74%	0.736	65%	0.654	S	S	*	*			trans	-48.9	124	177.3	0	0	0	0	0	110.4	P284 T288	P284-A286 PolarHBondContact O-N 2.82Å; A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 3.14Å
287	Q	26	Very low	29.5	Very low	166 Å²	166	106.3 Å²	106.3	78%	0.776	65%	0.645	S	S	*	*			trans	-72.6	92.1	167.7	-84.9	-171.1	-16.2	0	0	108.3	T285 F289	T285-Q287 PolarHBondContact O-N 3.12Å; Q287-F289 PolarHBondContact O-N 3.01Å; Q287-F289 VanDerWaalsContact O-N 3.14Å
288	T	25.6	Very low	29.5	Very low	96 Å²	96	105.2 Å²	105.2	59%	0.589	63%	0.633	S	S	*	*			trans	-62.3	109.6	165.7	-48.8	0	0	0	0	108.1	A286 T290	A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 3.14Å; T288-T290 PolarHBondContact O-N 2.87Å; T288-T290 VanDerWaalsContact O-N 3.11Å
289	F	26	Very low	29.6	Very low	133 Å²	133	105 Å²	105	58%	0.583	62%	0.619	S	S	*	*			trans	-63.8	111.9	166	-72	-83.4	0	0	0	107.8	Q287 D293 I294	Q287-F289 PolarHBondContact O-N 3.01Å; Q287-F289 VanDerWaalsContact O-N 3.14Å; F289-D293 HydrophobicContact CB-CB 4.48Å; F289-D293 HydrophobicContact CD1-CB 4.08Å; F289-I294 HydrophobicContact CB-CG1 4.34Å
290	T	28.7	Very low	29.4	Very low	65 Å²	65	112.2 Å²	112.2	40%	0.399	63%	0.628	S	S	.	*			trans	-72.6	161.7	175.8	71.7	0	0	0	0	109.3	T288 K292 D293 I294	T288-T290 PolarHBondContact O-N 2.87Å; T288-T290 VanDerWaalsContact O-N 3.11Å; T290-K292 PolarHBondContact O-N 3.05Å; T290-K292 PolarHBondContact OG1-N 3.06Å; T290-D293 WeakPolarHBondContact CA-OD2 3.44Å; T290-D293 WeakPolarHBondContact CB-OD2 3.43Å; T290-D293 PolarHBondContact N-OD2 2.85Å; T290-D293 WeakPolarHBondContact O-CB 3.44Å; T290-D293 PolarHBondContact O-N 3.37Å; T290-D293 PolarHBondContact OG1-OD2 2.98Å; T290-I294 PolarHBondContact O-N 3.35Å; T290-I294 VanDerWaalsContact O-N 3.12Å
291	M	33.4	Very low	29.1	Very low	118 Å²	118	108.8 Å²	108.8	58%	0.581	61%	0.611	S	S	*	*	H	α-helix	trans	-57.2	-23.3	174.9	-156.6	62.4	63.8	0	0	112.4	I294 D295	M291-I294 HydrophobicContact SD-CB 4.47Å; M291-I294 HydrophobicContact SD-CD1 4.18Å; M291-I294 HydrophobicContact SD-CG2 4.49Å; M291-D295 WeakPolarHBondContact O-CB 3.44Å; M291-D295 PolarHBondContact O-N 2.94Å
292	K	37.2	Very low	28.7	Very low	161 Å²	161	107 Å²	107	70%	0.7	60%	0.598	S	S	*	*	H	α-helix	trans	-71.9	-29.1	173.5	-69.7	-177.2	179.4	176.2	0	114	T290 D295 H296	T290-K292 PolarHBondContact O-N 3.05Å; T290-K292 PolarHBondContact OG1-N 3.06Å; K292-D295 WeakPolarHBondContact O-CB 3.44Å; K292-H296 WeakPolarHBondContact O-CB 3.28Å; K292-H296 PolarHBondContact O-N 3.35Å; K292-H296 PolarHBondContact O-ND1 3.11Å
293	D	35.8	Very low	28.7	Very low	70 Å²	70	107 Å²	107	37%	0.374	58%	0.581	S	S	.	*	H	α-helix	trans	-79.7	-41.7	178.1	-53.7	-56.1	0	0	0	109.8	F289 T290 H296 C297	F289-D293 HydrophobicContact CB-CB 4.48Å; F289-D293 HydrophobicContact CD1-CB 4.08Å; T290-D293 WeakPolarHBondContact CA-OD2 3.44Å; T290-D293 WeakPolarHBondContact CB-OD2 3.43Å; T290-D293 PolarHBondContact N-OD2 2.85Å; T290-D293 WeakPolarHBondContact O-CB 3.44Å; T290-D293 PolarHBondContact O-N 3.37Å; T290-D293 PolarHBondContact OG1-OD2 2.98Å; D293-H296 PolarHBondContact O-N 2.89Å; D293-H296 VanDerWaalsContact O-N 3.08Å; D293-C297 PolarHBondContact O-N 3.16Å
294	I	31.8	Very low	28.5	Very low	70 Å²	70	111.9 Å²	111.9	36%	0.359	60%	0.595	S	S	.	*	H	α-helix	trans	-58.4	-49.8	169	-61.4	172.6	0	0	0	109.6	F289 T290 M291 H296 C297 I298	F289-I294 HydrophobicContact CB-CG1 4.34Å; T290-I294 PolarHBondContact O-N 3.35Å; T290-I294 VanDerWaalsContact O-N 3.12Å; M291-I294 HydrophobicContact SD-CB 4.47Å; M291-I294 HydrophobicContact SD-CD1 4.18Å; M291-I294 HydrophobicContact SD-CG2 4.49Å; I294-H296 VanDerWaalsContact C-N 3.26Å; I294-H296 PolarHBondContact O-N 2.74Å; I294-C297 PolarHBondContact O-N 3.27Å; I294-I298 HydrophobicContact CG2-CD1 3.76Å; I294-I298 VanDerWaalsContact O-CG1 3.32Å; I294-I298 WeakPolarHBondContact O-CG1 3.33Å; I294-I298 PolarHBondContact O-N 3.21Å
295	D	31	Very low	28.5	Very low	60 Å²	60	112.5 Å²	112.5	32%	0.321	58%	0.583	S	S	.	*	H	α-helix	trans	-54.3	-38.4	171	-99.2	19.7	0	0	0	112.5	M291 K292 I298 R299	M291-D295 WeakPolarHBondContact O-CB 3.44Å; M291-D295 PolarHBondContact O-N 2.94Å; K292-D295 WeakPolarHBondContact O-CB 3.44Å; D295-I298 PolarHBondContact O-N 2.93Å; D295-R299 WeakPolarHBondContact O-CB 3.28Å; D295-R299 WeakPolarHBondContact O-CD 3.48Å; D295-R299 WeakPolarHBondContact O-CG 3.47Å; D295-R299 PolarHBondContact O-N 3.45Å; D295-R299 IonicContact OD2-CZ 3.15Å; D295-R299 IonicContact OD2-NE 3.77Å; D295-R299 IonicContact OD2-NH2 2.66Å; D295-R299 PolarHBondContact OD2-NH2 3.33Å
296	H	30.7	Very low	28.5	Very low	125 Å²	125	112.6 Å²	112.6	58%	0.579	58%	0.584	S	S	*	*	H	α-helix	trans	-72.5	-36.9	179.7	-108.7	82.6	0	0	0	112.8	K292 D293 I294	K292-H296 WeakPolarHBondContact O-CB 3.28Å; K292-H296 PolarHBondContact O-N 3.35Å; K292-H296 PolarHBondContact O-ND1 3.11Å; D293-H296 PolarHBondContact O-N 2.89Å; D293-H296 VanDerWaalsContact O-N 3.08Å; I294-H296 VanDerWaalsContact C-N 3.26Å; I294-H296 PolarHBondContact O-N 2.74Å
297	C	30	Very low	28.7	Very low	98 Å²	98	113 Å²	113	66%	0.662	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-41.6	170.8	-72.2	0	0	0	0	111.2	D293 I294	D293-C297 PolarHBondContact O-N 3.16Å; I294-C297 PolarHBondContact O-N 3.27Å
298	I	28.9	Very low	28.8	Very low	78 Å²	78	113.3 Å²	113.3	40%	0.4	59%	0.589	S	S	.	*	H	α-helix	trans	-71.7	-40.8	177.2	-65.7	170.4	0	0	0	111.8	I294 D295 R300 G301	I294-I298 HydrophobicContact CG2-CD1 3.76Å; I294-I298 VanDerWaalsContact O-CG1 3.32Å; I294-I298 WeakPolarHBondContact O-CG1 3.33Å; I294-I298 PolarHBondContact O-N 3.21Å; D295-I298 PolarHBondContact O-N 2.93Å; I298-R300 PolarHBondContact O-N 2.86Å; I298-R300 VanDerWaalsContact O-N 3.08Å; I298-G301 CarbonylContact O-C 3.39Å; I298-G301 WeakPolarHBondContact O-CA 3.47Å; I298-G301 PolarHBondContact O-N 2.99Å
299	R	25.9	Very low	29.2	Very low	163 Å²	163	114.1 Å²	114.1	62%	0.615	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-21.1	-178.4	-81.1	164.9	-160.4	-123	3.6	114.3	D295 G301	D295-R299 WeakPolarHBondContact O-CB 3.28Å; D295-R299 WeakPolarHBondContact O-CD 3.48Å; D295-R299 WeakPolarHBondContact O-CG 3.47Å; D295-R299 PolarHBondContact O-N 3.45Å; D295-R299 IonicContact OD2-CZ 3.15Å; D295-R299 IonicContact OD2-NE 3.77Å; D295-R299 IonicContact OD2-NH2 2.66Å; D295-R299 PolarHBondContact OD2-NH2 3.33Å; R299-G301 VanDerWaalsContact C-N 3.25Å
300	R	27.3	Very low	29.8	Very low	240 Å²	240	111 Å²	111	91%	0.906	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-16	170.5	-73.1	-169	175.7	-169.9	1.2	113.4	I298	I298-R300 PolarHBondContact O-N 2.86Å; I298-R300 VanDerWaalsContact O-N 3.08Å
301	G	24.8	Very low	30.4	Very low	44 Å²	44	113.5 Å²	113.5	45%	0.454	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.3	70.1	167	0	0	0	0	0	110.3	I298 R299 L303	I298-G301 CarbonylContact O-C 3.39Å; I298-G301 WeakPolarHBondContact O-CA 3.47Å; I298-G301 PolarHBondContact O-N 2.99Å; R299-G301 VanDerWaalsContact C-N 3.25Å; G301-L303 PolarHBondContact O-N 2.75Å
302	S	22.6	Very low	31	Very low	82 Å²	82	113.1 Å²	113.1	57%	0.573	60%	0.602	S	S	*	*			trans	-45.4	104.3	-172.8	176.9	0	0	0	0	115.1
303	L	26.4	Very low	31.4	Very low	74 Å²	74	110 Å²	110	39%	0.387	59%	0.592	S	S	.	*			trans	-125.9	111.1	153.9	-145	92.5	0	0	0	108.9	G301 F305 K440	G301-L303 PolarHBondContact O-N 2.75Å; L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 HydrophobicContact CB-CD2 4.25Å; L303-F305 HydrophobicContact CB-CE2 3.93Å; L303-F305 HydrophobicContact CB-CZ 4.48Å; L303-F305 HydrophobicContact CD2-CD1 4.22Å; L303-F305 HydrophobicContact CD2-CD2 4.31Å; L303-F305 HydrophobicContact CD2-CE1 3.82Å; L303-F305 HydrophobicContact CD2-CE2 3.91Å; L303-F305 HydrophobicContact CD2-CG 4.46Å; L303-F305 HydrophobicContact CD2-CZ 3.65Å; L303-F305 WeakPolarHBondContact O-CD2 3.18Å; L303-F305 PolarHBondContact O-N 3.11Å; L303-K440 HydrophobicContact CD1-CD 4.34Å
304	D	25.3	Very low	31.8	Very low	155 Å²	155	109.4 Å²	109.4	83%	0.829	59%	0.591	S	S	*	*			trans	-69.9	93.7	166.9	-72.5	-50.4	0	0	0	108.1	T306	D304-T306 PolarHBondContact O-N 2.82Å; D304-T306 VanDerWaalsContact O-N 3.16Å
305	F	30.5	Very low	32.6	Very low	147 Å²	147	111.3 Å²	111.3	65%	0.645	60%	0.598	S	S	*	*			trans	-68.9	107.9	169	-72.8	-89	0	0	0	108.6	L303 A307	L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 HydrophobicContact CB-CD2 4.25Å; L303-F305 HydrophobicContact CB-CE2 3.93Å; L303-F305 HydrophobicContact CB-CZ 4.48Å; L303-F305 HydrophobicContact CD2-CD1 4.22Å; L303-F305 HydrophobicContact CD2-CD2 4.31Å; L303-F305 HydrophobicContact CD2-CE1 3.82Å; L303-F305 HydrophobicContact CD2-CE2 3.91Å; L303-F305 HydrophobicContact CD2-CG 4.46Å; L303-F305 HydrophobicContact CD2-CZ 3.65Å; L303-F305 WeakPolarHBondContact O-CD2 3.18Å; L303-F305 PolarHBondContact O-N 3.11Å; F305-A307 PolarHBondContact O-N 3.2Å; F305-A307 VanDerWaalsContact O-N 3.14Å
306	T	25.3	Very low	33.5	Very low	130 Å²	130	110.7 Å²	110.7	80%	0.798	60%	0.598	S	S	*	*			trans	-56.2	117.4	149.5	36.4	0	0	0	0	106.9	D304 E308	D304-T306 PolarHBondContact O-N 2.82Å; D304-T306 VanDerWaalsContact O-N 3.16Å; T306-E308 PolarHBondContact O-N 3.17Å
307	A	28.9	Very low	34.3	Very low	99 Å²	99	106.2 Å²	106.2	82%	0.818	58%	0.579	S	S	*	*			trans	-58.6	108.2	177.1	0	0	0	0	0	109	F305	F305-A307 PolarHBondContact O-N 3.2Å; F305-A307 VanDerWaalsContact O-N 3.14Å
308	E	29.7	Very low	35.5	Very low	171 Å²	171	107.3 Å²	107.3	80%	0.799	57%	0.569	S	S	*	*			trans	-61.9	140.1	164.3	-78.3	-159.5	141.8	0	0	108.6	T306 S310	T306-E308 PolarHBondContact O-N 3.17Å; E308-S310 PolarHBondContact O-N 3.09Å
309	P	33.4	Very low	36.9	Very low	114 Å²	114	106 Å²	106	74%	0.74	57%	0.574	S	S	*	*	S	Bend	trans	-63.7	123.1	177.9	27.9	-33.1	0	0	0	108.6
310	S	38.2	Very low	38.4	Very low	67 Å²	67	105.1 Å²	105.1	47%	0.469	57%	0.571	S	S	.	*			trans	33.7	111.1	171.6	56	0	0	0	0	117.2	E308 D312	E308-S310 PolarHBondContact O-N 3.09Å; S310-D312 WeakPolarHBondContact CB-OD1 3.39Å; S310-D312 PolarHBondContact O-N 2.96Å; S310-D312 PolarHBondContact OG-OD1 3.48Å
311	N	42.2	Very low	39.9	Very low	118 Å²	118	97.3 Å²	97.3	63%	0.631	55%	0.55	S	S	*	*			trans	-65.4	77.2	149.5	-99.6	-66.4	0	0	0	108.4	I313 V314 E315	N311-I313 PolarHBondContact O-N 2.91Å; N311-V314 HydrophobicContact CB-CB 3.99Å; N311-V314 HydrophobicContact CB-CG2 3.92Å; N311-V314 PolarHBondContact O-N 3.45Å; N311-E315 PolarHBondContact O-N 3.24Å
312	D	46.1	Very low	41.2	Very low	110 Å²	110	99 Å²	99	59%	0.588	54%	0.542	S	S	*	.	H	α-helix	trans	-51.5	-35	-177.8	-77.7	-12	0	0	0	111	S310 S316	S310-D312 WeakPolarHBondContact CB-OD1 3.39Å; S310-D312 PolarHBondContact O-N 2.96Å; S310-D312 PolarHBondContact OG-OD1 3.48Å; D312-S316 WeakPolarHBondContact O-CA 3.39Å; D312-S316 WeakPolarHBondContact O-CB 3.27Å; D312-S316 PolarHBondContact O-N 3.4Å; D312-S316 PolarHBondContact O-OG 3.33Å
313	I	43.7	Very low	42.5	Very low	94 Å²	94	99.1 Å²	99.1	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-51	174.9	-60.5	176.5	0	0	0	111.1	I55 N311 S316 I317	I55-I313 HydrophobicContact CD1-CG2 3.67Å; N311-I313 PolarHBondContact O-N 2.91Å; I313-S316 PolarHBondContact O-N 2.86Å; I313-S316 PolarHBondContact O-OG 3.1Å; I313-I317 PolarHBondContact O-N 3.35Å
314	V	44.5	Very low	43.6	Very low	59 Å²	59	95.8 Å²	95.8	36%	0.358	53%	0.525	S	S	.	.	H	α-helix	trans	-69.4	-37	-178.1	-179.6	0	0	0	0	111.4	F219 N311 I317 R318	F219-V314 HydrophobicContact CD1-CG1 4.06Å; F219-V314 HydrophobicContact CE1-CG1 3.51Å; F219-V314 HydrophobicContact CZ-CG1 3.95Å; N311-V314 HydrophobicContact CB-CB 3.99Å; N311-V314 HydrophobicContact CB-CG2 3.92Å; N311-V314 PolarHBondContact O-N 3.45Å; V314-I317 WeakPolarHBondContact O-CG1 3.46Å; V314-R318 PolarHBondContact O-N 2.85Å
315	E	49.3	Very low	44.7	Very low	110 Å²	110	90.9 Å²	90.9	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-71	-35.3	172.8	-65.8	-128.6	115.1	0	0	112	N311 I317 R318	N311-E315 PolarHBondContact O-N 3.24Å; E315-I317 PolarHBondContact O-N 3.08Å; E315-R318 VanDerWaalsContact O-CB 3.22Å; E315-R318 WeakPolarHBondContact O-CB 3.39Å; E315-R318 PolarHBondContact O-N 3.2Å; E315-R318 IonicContact OE1-NH1 2.63Å; E315-R318 PolarHBondContact OE1-NH1 3.37Å; E315-R318 VanDerWaalsContact OE1-NH1 3.15Å
316	S	50	Low	45.6	Very low	46 Å²	46	84 Å²	84	32%	0.322	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-20.4	179.6	79.7	0	0	0	0	114.4	D312 I313 R320	D312-S316 WeakPolarHBondContact O-CA 3.39Å; D312-S316 WeakPolarHBondContact O-CB 3.27Å; D312-S316 PolarHBondContact O-N 3.4Å; D312-S316 PolarHBondContact O-OG 3.33Å; I313-S316 PolarHBondContact O-N 2.86Å; I313-S316 PolarHBondContact O-OG 3.1Å; S316-R320 WeakPolarHBondContact O-CD 3.27Å; S316-R320 PolarHBondContact O-NH1 2.86Å
317	I	47.1	Very low	46.6	Very low	32 Å²	32	78 Å²	78	16%	0.164	43%	0.429	C	S	.	.	H	α-helix	trans	-96.7	-10.4	172.8	64.8	171.9	0	0	0	112.8	F219 I313 V314 E315 G319 R320 R322	F219-I317 HydrophobicContact CB-CD1 4.06Å; F219-I317 HydrophobicContact CB-CG1 4.01Å; F219-I317 HydrophobicContact CD1-CG1 4.28Å; F219-I317 HydrophobicContact CG-CD1 4.48Å; F219-I317 HydrophobicContact CG-CG1 4.45Å; I313-I317 PolarHBondContact O-N 3.35Å; V314-I317 WeakPolarHBondContact O-CG1 3.46Å; E315-I317 PolarHBondContact O-N 3.08Å; I317-G319 PolarHBondContact O-N 2.84Å; I317-R320 PolarHBondContact O-N 2.79Å; I317-R322 HydrophobicContact CG2-CG 4.02Å
318	R	56	Low	47.5	Very low	121 Å²	121	74.3 Å²	74.3	46%	0.457	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-63.2	124.7	-178.4	-163.1	175.9	-176.4	173.4	2.3	110.6	F219 V314 E315 R320	F219-R318 HydrophobicContact CD1-CB 3.94Å; F219-R318 HydrophobicContact CD1-CG 4.01Å; F219-R318 HydrophobicContact CE1-CB 4.4Å; F219-R318 HydrophobicContact CE1-CG 4.19Å; F219-R318 WeakPolarHBondContact O-CA 3.37Å; V314-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact O-CB 3.22Å; E315-R318 WeakPolarHBondContact O-CB 3.39Å; E315-R318 PolarHBondContact O-N 3.2Å; E315-R318 IonicContact OE1-NH1 2.63Å; E315-R318 PolarHBondContact OE1-NH1 3.37Å; E315-R318 VanDerWaalsContact OE1-NH1 3.15Å; R318-R320 PolarHBondContact O-N 2.88Å
319	G	57	Low	48.1	Very low	49 Å²	49	66.3 Å²	66.3	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-7.5	-174.3	0	0	0	0	0	115.4	F219 I317	F219-G319 PolarHBondContact O-N 3.44Å; I317-G319 PolarHBondContact O-N 2.84Å
320	R	58.9	Low	48.6	Very low	145 Å²	145	61.9 Å²	61.9	55%	0.547	33%	0.329	S	S	.	.			trans	-101.4	135	-176.6	-61.7	-171.6	-177	155.3	-10.2	111.4	S316 I317 R318	S316-R320 WeakPolarHBondContact O-CD 3.27Å; S316-R320 PolarHBondContact O-NH1 2.86Å; I317-R320 PolarHBondContact O-N 2.79Å; R318-R320 PolarHBondContact O-N 2.88Å
321	T	58.1	Low	48.9	Very low	77 Å²	77	63.2 Å²	63.2	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.3	171.5	-51	0	0	0	0	110	K216 A217	K216-T321 HydrophobicContact CB-CG2 3.64Å; K216-T321 HydrophobicContact CD-CG2 4.31Å; K216-T321 HydrophobicContact CG-CG2 4.09Å; A217-T321 CarbonylContact O-C 3.56Å; A217-T321 VanDerWaalsContact O-CA 3.32Å; A217-T321 WeakPolarHBondContact O-CA 3.23Å
322	R	52.5	Low	48.5	Very low	78 Å²	78	60.1 Å²	60.1	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.6	176.5	-67.2	-63.4	-167.8	162.2	5	110.7	F95 S98 K216 A217 I317	F95-R322 HydrophobicContact CD1-CB 4.4Å; S98-R322 PolarHBondContact OG-NH1 3.29Å; K216-R322 CarbonylContact C-O 3.56Å; K216-R322 WeakPolarHBondContact CA-O 3.42Å; A217-R322 PolarHBondContact N-O 3.09Å; A217-R322 PolarHBondContact O-N 3.3Å; I317-R322 HydrophobicContact CG2-CG 4.02Å
323	P	49.2	Very low	47.8	Very low	85 Å²	85	59 Å²	59	55%	0.552	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	148.8	165.7	31.9	-33.9	0	0	0	110	V215	V215-P323 CarbonylContact O-C 3.53Å; V215-P323 WeakPolarHBondContact O-CA 3.25Å
324	G	50.3	Low	47.2	Very low	4 Å²	4	62.6 Å²	62.6	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-169.2	176.6	0	0	0	0	0	110.9	I94 V215	I94-G324 CarbonylContact O-C 3.43Å; I94-G324 VanDerWaalsContact O-CA 3.26Å; I94-G324 WeakPolarHBondContact O-CA 3.32Å; V215-G324 PolarHBondContact N-O 3.03Å; V215-G324 PolarHBondContact O-N 3.12Å; V215-G324 VanDerWaalsContact O-O 3.12Å
325	F	48.2	Very low	46.7	Very low	53 Å²	53	64.9 Å²	64.9	23%	0.232	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.8	178.5	-56.2	-91.5	0	0	0	111.6	L47 I94 L212 V213 P214	L47-F325 HydrophobicContact CD2-CE2 4.47Å; L47-F325 HydrophobicContact CD2-CZ 4.44Å; I94-F325 HydrophobicContact CB-CB 4.23Å; I94-F325 HydrophobicContact CG2-CD2 4.07Å; I94-F325 PolarHBondContact N-O 3.27Å; I94-F325 PolarHBondContact O-N 3.33Å; L212-F325 HydrophobicContact CD1-CB 3.62Å; L212-F325 HydrophobicContact CD1-CG 4.25Å; L212-F325 HydrophobicContact CD2-CB 4.13Å; L212-F325 HydrophobicContact CD2-CD1 3.44Å; L212-F325 VanDerWaalsContact CD2-CD1 3.44Å; L212-F325 HydrophobicContact CD2-CE1 3.94Å; L212-F325 HydrophobicContact CD2-CG 3.86Å; L212-F325 HydrophobicContact CG-CB 3.8Å; L212-F325 HydrophobicContact CG-CD1 3.84Å; L212-F325 HydrophobicContact CG-CG 4.07Å; V213-F325 CarbonylContact O-C 3.56Å; V213-F325 WeakPolarHBondContact O-CA 3.35Å; P214-F325 HydrophobicContact CB-CD1 4.17Å; P214-F325 HydrophobicContact CB-CE1 4.13Å
326	V	49.9	Very low	45.8	Very low	2 Å²	2	65.1 Å²	65.1	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.1	172.6	-174.5	0	0	0	0	109.1	C90 F93 L212 V213 V215 L227 L328	C90-V326 HydrophobicContact CB-CG1 4.33Å; C90-V326 WeakPolarHBondContact SG-CG1 3.41Å; F93-V326 HydrophobicContact CD1-CG2 3.92Å; F93-V326 HydrophobicContact CE1-CG1 4.27Å; F93-V326 HydrophobicContact CE1-CG2 3.92Å; L212-V326 WeakPolarHBondContact CA-O 3.23Å; V213-V326 PolarHBondContact N-O 2.97Å; V213-V326 PolarHBondContact O-N 2.83Å; V215-V326 HydrophobicContact CB-CG2 4.15Å; V215-V326 HydrophobicContact CG1-CB 4.38Å; V215-V326 HydrophobicContact CG1-CG2 3.46Å; V215-V326 VanDerWaalsContact CG1-CG2 3.46Å; V215-V326 HydrophobicContact CG2-CG2 3.63Å; L227-V326 HydrophobicContact CD2-CG2 4.43Å; V326-L328 HydrophobicContact CB-CG 4.35Å; V326-L328 HydrophobicContact CG1-CD2 3.53Å; V326-L328 HydrophobicContact CG1-CG 3.8Å
327	L	45.7	Very low	45.2	Very low	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.6	164.1	-67.4	172.2	0	0	0	109.1	L41 Y56 C90 H91 G92 T210 L212	L41-L327 HydrophobicContact CD1-CD2 3.77Å; L41-L327 HydrophobicContact CD2-CD2 4.17Å; Y56-L327 HydrophobicContact CE2-CD1 4.31Å; C90-L327 WeakPolarHBondContact CA-O 3.42Å; H91-L327 HydrophobicContact CB-CB 4.2Å; H91-L327 PolarHBondContact N-O 3.38Å; G92-L327 PolarHBondContact O-N 3.41Å; T210-L327 HydrophobicContact CG2-CD2 4.4Å; L212-L327 HydrophobicContact CD1-CD2 3.73Å; L212-L327 HydrophobicContact CD1-CG 4.4Å
328	L	46.6	Very low	44.6	Very low	22 Å²	22	73.7 Å²	73.7	12%	0.115	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110	175	-65.6	-177.2	0	0	0	110.1	P88 C90 F211 V213 V326	P88-L328 HydrophobicContact CB-CD2 4.47Å; C90-L328 HydrophobicContact CB-CD2 4.19Å; F211-L328 PolarHBondContact N-O 3.47Å; F211-L328 PolarHBondContact O-N 2.9Å; V213-L328 HydrophobicContact CB-CD1 4.28Å; V213-L328 HydrophobicContact CG2-CD1 3.87Å; V213-L328 HydrophobicContact CG2-CG 4.36Å; V326-L328 HydrophobicContact CB-CG 4.35Å; V326-L328 HydrophobicContact CG1-CD2 3.53Å; V326-L328 HydrophobicContact CG1-CG 3.8Å
329	S	44.3	Very low	43.5	Very low	2 Å²	2	75.1 Å²	75.1	1%	0.014	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.3	166.7	-66.4	0	0	0	0	109.8	P88 I89 H91 M208 S209 T210	P88-S329 WeakPolarHBondContact CA-O 3.21Å; I89-S329 PolarHBondContact N-O 3.46Å; I89-S329 PolarHBondContact O-N 2.83Å; H91-S329 PolarHBondContact CD2-OG 3.12Å; H91-S329 VanDerWaalsContact NE2-CB 3.27Å; H91-S329 WeakPolarHBondContact NE2-CB 3.23Å; H91-S329 PolarHBondContact NE2-OG 3.08Å; M208-S329 WeakPolarHBondContact CE-O 3.23Å; S209-S329 WeakPolarHBondContact O-CA 3.42Å; T210-S329 PolarHBondContact OG1-OG 2.93Å
330	V	42.2	Very low	42.4	Very low	21 Å²	21	80.8 Å²	80.8	13%	0.127	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.5	179.9	-173.5	0	0	0	0	108.6	Y85 P88 M208 S209 F211	Y85-V330 HydrophobicContact CD1-CG1 3.34Å; Y85-V330 HydrophobicContact CE1-CG1 4.2Å; Y85-V330 HydrophobicContact CG-CG1 3.74Å; P88-V330 HydrophobicContact CB-CG2 4.39Å; M208-V330 WeakPolarHBondContact CA-O 3.3Å; S209-V330 PolarHBondContact N-O 2.78Å; S209-V330 PolarHBondContact O-N 3.19Å; F211-V330 HydrophobicContact CD2-CB 4.31Å; F211-V330 HydrophobicContact CD2-CG2 3.92Å; F211-V330 HydrophobicContact CE2-CB 4.16Å; F211-V330 HydrophobicContact CE2-CG2 4.2Å
331	R	44.5	Very low	41.1	Very low	96 Å²	96	81 Å²	81	36%	0.362	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.2	171.2	-166.1	-174.2	-174.8	-164	9	109.7	Y85 G86 D207 M208 E333	Y85-R331 WeakPolarHBondContact CA-O 3.41Å; G86-R331 PolarHBondContact N-O 3.1Å; D207-R331 HydrophobicContact CB-CG 4.32Å; D207-R331 CarbonylContact O-C 3.25Å; D207-R331 VanDerWaalsContact O-CA 3.27Å; D207-R331 WeakPolarHBondContact O-CA 3.34Å; D207-R331 WeakPolarHBondContact O-CG 3.5Å; D207-R331 IonicContact OD2-CZ 3.66Å; D207-R331 VanDerWaalsContact OD2-CZ 3.26Å; D207-R331 IonicContact OD2-NE 2.82Å; D207-R331 PolarHBondContact OD2-NE 3.3Å; D207-R331 IonicContact OD2-NH2 2.84Å; D207-R331 PolarHBondContact OD2-NH2 3.31Å; M208-R331 HydrophobicContact CE-CB 4.19Å; M208-R331 HydrophobicContact CG-CB 4.15Å; M208-R331 HydrophobicContact CG-CG 4.26Å; R331-E333 HydrophobicContact CG-CG 4.27Å; R331-E333 IonicContact CZ-OE1 2.96Å; R331-E333 IonicContact NE-OE1 2.71Å; R331-E333 IonicContact NH1-OE1 3.74Å; R331-E333 PolarHBondContact NH1-OE1 2.8Å
332	H	34.2	Very low	39.8	Very low	52 Å²	52	81.3 Å²	81.3	24%	0.241	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107.6	169.8	-68.5	-112.9	0	0	0	108.4	Q83 Y85 D207	Q83-H332 PolarHBondContact OE1-ND1 2.94Å; Y85-H332 AromaticContact CE1-CE1 3.65Å; Y85-H332 AromaticContact CE1-ND1 3.75Å; D207-H332 PolarHBondContact O-N 2.89Å
333	E	31.9	Very low	38.7	Very low	86 Å²	86	83.5 Å²	83.5	40%	0.402	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.4	171.4	-63.5	-167.6	166.5	0	0	109.6	S84 R331 I335	S84-E333 PolarHBondContact O-N 3.32Å; R331-E333 HydrophobicContact CG-CG 4.27Å; R331-E333 IonicContact CZ-OE1 2.96Å; R331-E333 IonicContact NE-OE1 2.71Å; R331-E333 IonicContact NH1-OE1 3.74Å; R331-E333 PolarHBondContact NH1-OE1 2.8Å; E333-I335 PolarHBondContact O-N 2.83Å
334	K	30.8	Very low	37.8	Very low	170 Å²	170	86.1 Å²	86.1	74%	0.739	45%	0.453	S	S	*	.			trans	-72	97.3	174.2	-173.8	174.8	-177.5	173.4	0	108.9	N336	K334-N336 PolarHBondContact O-N 3.18Å
335	I	33.9	Very low	36.6	Very low	108 Å²	108	90.7 Å²	90.7	55%	0.554	48%	0.484	S	S	*	.			trans	-63.6	102.9	169.6	-54.3	173.2	0	0	0	107.8	S84 E333 A337	S84-I335 WeakPolarHBondContact OG-CD1 3.4Å; S84-I335 VanDerWaalsContact OG-CG1 3.31Å; S84-I335 WeakPolarHBondContact OG-CG1 3.47Å; E333-I335 PolarHBondContact O-N 2.83Å; I335-A337 PolarHBondContact O-N 2.61Å; I335-A337 VanDerWaalsContact O-N 3.11Å
336	N	31.6	Very low	35.5	Very low	114 Å²	114	95.2 Å²	95.2	61%	0.61	51%	0.506	S	S	*	.			trans	-65.8	111.7	169.3	-73.5	-29	0	0	0	108.5	K334 E338	K334-N336 PolarHBondContact O-N 3.18Å; N336-E338 PolarHBondContact O-N 3.31Å
337	A	37.3	Very low	34.4	Very low	78 Å²	78	102.8 Å²	102.8	65%	0.645	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-66.4	2.2	-176	0	0	0	0	0	114.9	I335 N339	I335-A337 PolarHBondContact O-N 2.61Å; I335-A337 VanDerWaalsContact O-N 3.11Å; A337-N339 VanDerWaalsContact C-N 3.32Å; A337-N339 PolarHBondContact O-N 3.38Å
338	E	34.5	Very low	33.3	Very low	180 Å²	180	109.7 Å²	109.7	84%	0.841	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-73.4	-18.3	-179.2	-66	-168.3	140.3	0	0	113.8	N336 K340	N336-E338 PolarHBondContact O-N 3.31Å; E338-K340 PolarHBondContact O-N 3.08Å
339	N	32.7	Very low	32.5	Very low	152 Å²	152	117.5 Å²	117.5	81%	0.813	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-80.2	36.8	172	-83.2	-14.8	0	0	0	113.6	A337 I341	A337-N339 VanDerWaalsContact C-N 3.32Å; A337-N339 PolarHBondContact O-N 3.38Å; N339-I341 PolarHBondContact O-N 2.98Å; N339-I341 VanDerWaalsContact O-N 3.09Å
340	K	32.6	Very low	31.5	Very low	167 Å²	167	124.3 Å²	124.3	73%	0.726	64%	0.636	S	S	*	*			trans	-80.5	58.6	159.8	-70.7	-158.9	-176.7	-175.3	0	111.4	E338 S342	E338-K340 PolarHBondContact O-N 3.08Å; K340-S342 PolarHBondContact O-N 3.28Å; K340-S342 VanDerWaalsContact O-N 3.16Å
341	I	31.9	Very low	30.6	Very low	151 Å²	151	131.7 Å²	131.7	77%	0.774	67%	0.669	S	S	*	*			trans	-84.9	65.8	154.2	-49.4	179.6	0	0	0	107.2	N339	N339-I341 PolarHBondContact O-N 2.98Å; N339-I341 VanDerWaalsContact O-N 3.09Å
342	S	30.6	Very low	29.8	Very low	82 Å²	82	132.4 Å²	132.4	57%	0.573	69%	0.689	S	S	*	*			trans	-59	124.5	164.5	46.6	0	0	0	0	107.9	K340 T344	K340-S342 PolarHBondContact O-N 3.28Å; K340-S342 VanDerWaalsContact O-N 3.16Å; S342-T344 PolarHBondContact O-N 2.94Å
343	P	30.9	Very low	29.1	Very low	125 Å²	125	137 Å²	137	81%	0.812	72%	0.715	S	S	*	*			trans	-70	94.8	-174.5	27.1	-34.1	0	0	0	110.2	S345	P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.08Å
344	T	29.6	Very low	29	Very low	139 Å²	139	138.9 Å²	138.9	85%	0.853	74%	0.735	S	S	*	*			trans	-66	109.7	170.1	20	0	0	0	0	109.2	S342	S342-T344 PolarHBondContact O-N 2.94Å
345	S	24.8	Very low	28.5	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	73%	0.732	S	S	*	*			trans	-63.6	150.5	176.6	57.9	0	0	0	0	113.1	P343	P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.08Å
346	E	24.3	Very low	28	Very low	148 Å²	148	137.8 Å²	137.8	69%	0.692	74%	0.744	S	S	*	*			trans	86.7	135.7	150.7	-68	-164.8	134.6	0	0	122.8
347	K	26.9	Very low	27.8	Very low	161 Å²	161	137.5 Å²	137.5	70%	0.7	75%	0.751	S	S	*	*			trans	82.4	85.7	140.8	-73.8	159.1	-171.8	154.3	0	121
348	H	23.3	Very low	27.1	Very low	149 Å²	149	139.4 Å²	139.4	69%	0.69	76%	0.755	S	S	*	*				39	103.5	100.1	-169.9	-61	0	0	0	118.3
349	F	29.8	Very low	26.4	Very low	187 Å²	187	136 Å²	136	82%	0.82	75%	0.751	S	S	*	*			trans	-163.6	102.7	137.9	-96.1	-71.7	0	0	0	107.9
350	Q	24.2	Very low	26.2	Very low	145 Å²	145	133.6 Å²	133.6	68%	0.678	75%	0.752	S	S	*	*				67.8	84.1	92.4	-146.2	176	38.6	0	0	114.8
351	E	22.8	Very low	25.6	Very low	176 Å²	176	130.5 Å²	130.5	82%	0.822	75%	0.752	S	S	*	*				28.1	101.5	126.6	-165.4	168	-146.2	0	0	118
352	S	27.1	Very low	25.6	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	75%	0.752	S	S	*	*			trans	-142.8	109.7	153.9	55.7	0	0	0	0	111.2	P354	S352-P354 WeakPolarHBondContact O-CD 3.38Å
353	N	19.3	Very low	25.3	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	76%	0.761	S	S	*	*			trans	-77.8	132.4	169.4	-69.9	-66.3	0	0	0	109.9
354	P	29.4	Very low	25.2	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	76%	0.756	S	S	*	*			trans	-98.6	138.5	151.9	32.8	-26.8	0	0	0	110.7	S352	S352-P354 WeakPolarHBondContact O-CD 3.38Å
355	S	22.3	Very low	25	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	75%	0.753	S	S	*	*			trans	-106.5	143.2	-167.2	54.2	0	0	0	0	114.1
356	I	22.8	Very low	25	Very low	155 Å²	155	140.3 Å²	140.3	80%	0.795	76%	0.76	S	S	*	*			trans	56.1	113.2	140.4	-54.6	161.9	0	0	0	118.8
357	S	27	Very low	25.4	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	77%	0.766	S	S	*	*				-174.4	110.7	127.6	56.1	0	0	0	0	111.1
358	T	21.7	Very low	25.5	Very low	117 Å²	117	141.8 Å²	141.8	72%	0.718	78%	0.775	S	S	*	*				74.2	113	83	-30.7	0	0	0	0	117.3
359	S	21.5	Very low	26.1	Very low	109 Å²	109	140 Å²	140	76%	0.762	78%	0.78	S	S	*	*			trans	74.7	146.6	143.9	61.1	0	0	0	0	124.4
360	A	27.3	Very low	26.3	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	78%	0.781	S	S	*	*			trans	71.6	150.1	163.2	0	0	0	0	0	118.2
361	S	20.8	Very low	26.6	Very low	103 Å²	103	138 Å²	138	72%	0.72	79%	0.785	S	S	*	*			cis	168.7	154.8	-21.4	-172.7	0	0	0	0	105.8
362	L	31	Very low	26.9	Very low	150 Å²	150	138 Å²	138	79%	0.785	79%	0.789	S	S	*	*			trans	86.4	116.5	-176.3	-77.7	70.7	0	0	0	115
363	E	24.1	Very low	27	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	79%	0.79	S	S	*	*				71.1	94.2	64.5	-74	-82.1	156.1	0	0	113.5
364	T	30.2	Very low	27.6	Very low	115 Å²	115	140.7 Å²	140.7	71%	0.706	79%	0.794	S	S	*	*				172.3	135.2	101.1	33.8	0	0	0	0	115
365	K	25.4	Very low	27.8	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	80%	0.798	S	S	*	*			trans	47.5	121.5	143.7	-65.2	171.9	-179.1	169.5	0	122.6
366	K	25	Very low	28.3	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	81%	0.807	S	S	*	*				45.8	130.2	126.3	-56	-178.7	177.7	-177.7	0	118.2
367	T	31	Very low	29	Very low	134 Å²	134	145 Å²	145	82%	0.822	80%	0.798	S	S	*	*			cis	-153.6	154.8	41.9	35.8	0	0	0	0	114.8
368	K	30.1	Very low	29.8	Very low	205 Å²	205	152.1 Å²	152.1	89%	0.891	81%	0.808	S	S	*	*			trans	-33.6	128.3	172.1	-57.1	170.1	177.9	-179.8	0	117.1
369	S	34.9	Very low	30.4	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	79%	0.794	S	S	*	*			trans	-136.3	147.5	133.3	64.5	0	0	0	0	108.4
370	I	35.1	Very low	31.2	Very low	164 Å²	164	157.6 Å²	157.6	84%	0.841	80%	0.802	S	S	*	*			trans	-104.9	116.8	-169	-67.3	163.9	0	0	0	109.1
371	T	30.2	Very low	31.4	Very low	126 Å²	126	156 Å²	156	77%	0.773	78%	0.779	S	S	*	*			trans	-130.9	152.8	166.8	38.6	0	0	0	0	111.4
372	I	29	Very low	32.3	Very low	176 Å²	176	160.5 Å²	160.5	90%	0.903	79%	0.785	S	S	*	*			trans	-72.1	134.5	-164.2	-63	151.3	0	0	0	111.2
373	S	29.2	Very low	32.3	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	77%	0.768	S	S	*	*			trans	-142.4	154.8	169.7	50.9	0	0	0	0	112.3
374	K	32.5	Very low	32.6	Very low	202 Å²	202	153.5 Å²	153.5	88%	0.878	75%	0.75	S	S	*	*			trans	-83.8	160.2	-152.7	-66.4	172.4	176.8	176	0	114.6
375	K	32.9	Very low	32.5	Very low	210 Å²	210	156.4 Å²	156.4	91%	0.913	75%	0.752	S	S	*	*			trans	-58.8	149.3	174.8	-60.5	172.7	179.2	174.5	0	112.4
376	L	33.3	Very low	32.7	Very low	167 Å²	167	152.4 Å²	152.4	87%	0.874	75%	0.747	S	S	*	*			trans	-116.9	145	160	-99.8	95.7	0	0	0	110.9
377	P	37.6	Very low	33.1	Very low	95 Å²	95	151.3 Å²	151.3	62%	0.617	75%	0.75	S	S	*	*			trans	-91.5	166	-178.7	36.6	-35.4	0	0	0	113.9
378	R	42.2	Very low	33.2	Very low	257 Å²	257	149.1 Å²	149.1	97%	0.97	75%	0.746	S	S	*	*			trans	-107.6	102.3	176.9	-87.1	179.3	159.2	162.4	-5	111.9
379	K	34.3	Very low	33.3	Very low	97 Å²	97	149 Å²	149	42%	0.422	75%	0.749	S	S	.	*			trans	-80.3	137.6	167.8	-95.5	169.3	172.3	172	0	112.3	N408 E410	K379-N408 HydrophobicContact CD-CB 3.6Å; K379-N408 HydrophobicContact CG-CB 4.22Å; K379-N408 PolarHBondContact NZ-O 2.74Å; K379-E410 WeakPolarHBondContact CE-OE2 3.32Å; K379-E410 IonicContact NZ-OE2 3.55Å; K379-E410 PolarHBondContact NZ-OE2 2.82Å
380	R	39.4	Very low	33.3	Very low	245 Å²	245	151 Å²	151	93%	0.925	75%	0.75	S	S	*	*			trans	-133	145.5	160.7	-87.4	-178	67.1	161.7	-2.2	109
381	L	31.7	Very low	33	Very low	68 Å²	68	154.2 Å²	154.2	36%	0.356	75%	0.751	S	S	.	*			trans	-138.6	126.7	-145.1	163	138.9	0	0	0	112.3	S406 E407 N408	L381-S406 WeakPolarHBondContact CD1-OG 3.46Å; L381-S406 WeakPolarHBondContact CD2-OG 3.42Å; L381-E407 WeakPolarHBondContact CD1-O 3.48Å; L381-N408 WeakPolarHBondContact CB-OD1 3.49Å; L381-N408 HydrophobicContact CD1-CB 4.43Å; L381-N408 WeakPolarHBondContact CD1-ND2 3.46Å
382	K	38.4	Very low	33.1	Very low	196 Å²	196	158.7 Å²	158.7	85%	0.852	76%	0.76	S	S	*	*			trans	-163.9	164.3	162.9	-72.6	-165.1	-177.4	-179.3	0	111.8
383	H	31.5	Very low	33	Very low	89 Å²	89	161.5 Å²	161.5	41%	0.412	76%	0.759	S	S	.	*			cis	-177.4	100.7	-42	-167.1	-97	0	0	0	112.8
384	M	30.6	Very low	33	Very low	78 Å²	78	161.9 Å²	161.9	38%	0.384	76%	0.762	S	S	.	*			trans	81.5	133.9	168.6	-49.9	-88.2	78.5	0	0	116.5
385	K	28	Very low	32.8	Very low	176 Å²	176	159.2 Å²	159.2	77%	0.765	76%	0.757	S	S	*	*				64.7	139.8	60.8	-86.2	-161.5	171.4	-173.3	0	114.6
386	S	30.7	Very low	32.8	Very low	96 Å²	96	161.3 Å²	161.3	67%	0.671	76%	0.759	S	S	*	*			cis	177.7	145.6	-13.2	47.4	0	0	0	0	110
387	D	31.9	Very low	32.5	Very low	171 Å²	171	156.5 Å²	156.5	91%	0.914	75%	0.749	S	S	*	*			trans	-160.4	154.5	168.6	-107.9	-33.9	0	0	0	108
388	A	32.9	Very low	32	Very low	88 Å²	88	157 Å²	157	73%	0.727	76%	0.755	S	S	*	*			cis	-157.8	150.3	-12.6	0	0	0	0	0	108.3
389	E	32.1	Very low	31.2	Very low	203 Å²	203	149.5 Å²	149.5	95%	0.949	74%	0.743	S	S	*	*			trans	-142.3	166.2	171.4	-140.4	-169.5	-177.7	0	0	113.5
390	L	36.8	Very low	31	Very low	155 Å²	155	153.9 Å²	153.9	81%	0.812	76%	0.762	S	S	*	*			trans	-92.7	134.5	-155.9	-74	160.4	0	0	0	115.7
391	R	28.8	Very low	30.4	Very low	230 Å²	230	147.3 Å²	147.3	87%	0.868	75%	0.753	S	S	*	*			trans	32	111.2	146.5	-62.9	-171.5	175.8	-165.6	0.8	119.4
392	K	32	Very low	30.1	Very low	221 Å²	221	151 Å²	151	96%	0.961	77%	0.772	S	S	*	*				-164.4	159	112.4	-105.1	161.3	-173.2	175	0	111.7
393	R	27.3	Very low	29.7	Very low	234 Å²	234	147.7 Å²	147.7	88%	0.883	77%	0.771	S	S	*	*			trans	-105.1	123.7	-167	-174.1	-172	-154.1	165	6.2	111
394	S	28.9	Very low	29.4	Very low	122 Å²	122	151.3 Å²	151.3	85%	0.853	78%	0.781	S	S	*	*			trans	-152.8	146.2	153.2	-167.2	0	0	0	0	110.8
395	L	28.2	Very low	29.3	Very low	145 Å²	145	158 Å²	158	76%	0.759	80%	0.802	S	S	*	*			trans	-114.4	119.1	-172.1	-73.6	134.2	0	0	0	110.6
396	R	32.7	Very low	29.3	Very low	254 Å²	254	150.7 Å²	150.7	96%	0.958	77%	0.773	S	S	*	*			trans	-177.2	149.9	143.3	-111.1	175.8	177.6	-142.6	-1.5	113.3
397	G	26.5	Very low	29.2	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	77%	0.767	S	S	*	*			trans	66.2	65	151.4	0	0	0	0	0	116.7
398	S	26.6	Very low	29.1	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	74%	0.74	S	S	*	*				69.2	105.5	89.2	75.1	0	0	0	0	116.3
399	S	25.3	Very low	29	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	74%	0.736	S	S	*	*			trans	58.8	121.6	135.3	72.7	0	0	0	0	118.2
400	K	30.3	Very low	28.9	Very low	189 Å²	189	141.8 Å²	141.8	82%	0.822	72%	0.716	S	S	*	*				-162.2	159.7	55.3	-80.1	171.8	-179.7	167.5	0	113
401	S	27.8	Very low	28.6	Very low	107 Å²	107	142.9 Å²	142.9	75%	0.748	72%	0.719	S	S	*	*			trans	52.3	103.1	153	54.9	0	0	0	0	119.6
402	L	24.6	Very low	28.7	Very low	144 Å²	144	136.7 Å²	136.7	75%	0.754	71%	0.711	S	S	*	*			trans	-53.1	141.3	141.2	-73.8	72	0	0	0	110.1	R404	L402-R404 HydrophobicContact CD2-CG 4.1Å
403	P	30.7	Very low	28.5	Very low	127 Å²	127	132 Å²	132	83%	0.825	70%	0.703	S	S	*	*			trans	-89.5	108	135.3	30.8	-24.3	0	0	0	108.8	R405	P403-R405 PolarHBondContact O-N 3.45Å
404	R	25.3	Very low	28.7	Very low	166 Å²	166	125.3 Å²	125.3	63%	0.626	69%	0.692	S	S	*	*			trans	-69	119.3	161	-86.2	-176	167.1	-176.5	-2.2	108.4	L402	L402-R404 HydrophobicContact CD2-CG 4.1Å
405	R	28.9	Very low	29.2	Very low	217 Å²	217	125.2 Å²	125.2	82%	0.819	69%	0.689	S	S	*	*			trans	-165.6	101.4	130.4	-114.4	-179.2	165.2	166.3	-3.9	112.9	P403	P403-R405 PolarHBondContact O-N 3.45Å
406	S	27.9	Very low	29.7	Very low	24 Å²	24	123.5 Å²	123.5	17%	0.168	68%	0.684	C	S	.	*			trans	44.7	124.3	130.6	54.4	0	0	0	0	120.1	L381	L381-S406 WeakPolarHBondContact CD1-OG 3.46Å; L381-S406 WeakPolarHBondContact CD2-OG 3.42Å
407	E	27.5	Very low	30.1	Very low	117 Å²	117	120.1 Å²	120.1	55%	0.547	68%	0.679	S	S	.	*			trans	-45.6	138	157	-57.4	111.9	127.5	0	0	112.6	L381	L381-E407 WeakPolarHBondContact CD1-O 3.48Å
408	N	30.4	Very low	30.8	Very low	62 Å²	62	121 Å²	121	33%	0.332	67%	0.668	S	S	.	*				-121.7	86.6	129.7	-86	-39.1	0	0	0	107.1	K379 L381 E410	K379-N408 HydrophobicContact CD-CB 3.6Å; K379-N408 HydrophobicContact CG-CB 4.22Å; K379-N408 PolarHBondContact NZ-O 2.74Å; L381-N408 WeakPolarHBondContact CB-OD1 3.49Å; L381-N408 HydrophobicContact CD1-CB 4.43Å; L381-N408 WeakPolarHBondContact CD1-ND2 3.46Å; N408-E410 VanDerWaalsContact C-N 3.29Å; N408-E410 PolarHBondContact O-N 2.89Å
409	A	29.8	Very low	31.7	Very low	80 Å²	80	120.1 Å²	120.1	66%	0.661	66%	0.658	S	S	*	*			trans	-61.5	97	159.1	0	0	0	0	0	107.9
410	E	31.7	Very low	33	Very low	112 Å²	112	122.5 Å²	122.5	52%	0.523	66%	0.658	S	S	.	*			trans	-84.2	111.1	138.3	-93.1	165.5	164.6	0	0	103.9	K379 N408 S412	K379-E410 WeakPolarHBondContact CE-OE2 3.32Å; K379-E410 IonicContact NZ-OE2 3.55Å; K379-E410 PolarHBondContact NZ-OE2 2.82Å; N408-E410 VanDerWaalsContact C-N 3.29Å; N408-E410 PolarHBondContact O-N 2.89Å; E410-S412 PolarHBondContact O-N 3.2Å
411	M	29.8	Very low	34	Very low	178 Å²	178	118.3 Å²	118.3	88%	0.877	65%	0.645	S	S	*	*			trans	-66.9	89.4	168.9	-72.1	167	170.5	0	0	107.4
412	S	29.7	Very low	34.8	Very low	100 Å²	100	116.4 Å²	116.4	70%	0.699	63%	0.626	S	S	*	*			trans	-60	128.2	151.9	51.7	0	0	0	0	106.6	E410 S414	E410-S412 PolarHBondContact O-N 3.2Å; S412-S414 PolarHBondContact O-N 2.69Å
413	P	29.7	Very low	35.7	Very low	121 Å²	121	114.6 Å²	114.6	79%	0.786	62%	0.617	S	S	*	*			trans	-62.7	112.8	-177.3	25.9	-33.4	0	0	0	108.8
414	S	30.4	Very low	36.5	Very low	94 Å²	94	114.5 Å²	114.5	66%	0.657	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58.8	132.4	151.5	49.8	0	0	0	0	106.2	S412 V416	S412-S414 PolarHBondContact O-N 2.69Å; S414-V416 PolarHBondContact O-N 3.4Å
415	P	38.7	Very low	37.3	Very low	120 Å²	120	110.5 Å²	110.5	78%	0.779	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-55.6	121.7	172.1	25	-32.4	0	0	0	107.3	E417	P415-E417 PolarHBondContact O-N 3.45Å
416	V	40.1	Very low	37.5	Very low	110 Å²	110	105.9 Å²	105.9	67%	0.667	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-63.9	116.8	164.8	174.9	0	0	0	0	104.5	S414 L418	S414-V416 PolarHBondContact O-N 3.4Å; V416-L418 HydrophobicContact CG1-CD2 4.13Å; V416-L418 PolarHBondContact O-N 3.05Å
417	E	40	Very low	37.7	Very low	183 Å²	183	107.3 Å²	107.3	86%	0.855	61%	0.606	S	S	*	*			trans	-63.9	94.8	164.4	-74	-173.7	142.5	0	0	106.4	P415 T419	P415-E417 PolarHBondContact O-N 3.45Å; E417-T419 PolarHBondContact O-N 3.11Å; E417-T419 VanDerWaalsContact O-N 3.16Å
418	L	40.7	Very low	37.6	Very low	84 Å²	84	107.7 Å²	107.7	44%	0.44	62%	0.619	S	S	.	*			trans	-62	114.4	171.6	-63.8	173.5	0	0	0	106.4	V416 D422 L423 L426	V416-L418 HydrophobicContact CG1-CD2 4.13Å; V416-L418 PolarHBondContact O-N 3.05Å; L418-D422 HydrophobicContact CB-CB 3.9Å; L418-D422 HydrophobicContact CD2-CB 3.91Å; L418-D422 HydrophobicContact CG-CB 4.44Å; L418-L423 HydrophobicContact CD1-CD2 4.41Å; L418-L426 HydrophobicContact CD1-CD1 4.2Å
419	T	45.8	Very low	37.5	Very low	88 Å²	88	111.7 Å²	111.7	54%	0.54	64%	0.636	S	S	.	*			trans	-65.8	164.3	174.3	47.2	0	0	0	0	109.7	E417 D421 D422 L423	E417-T419 PolarHBondContact O-N 3.11Å; E417-T419 VanDerWaalsContact O-N 3.16Å; T419-D421 PolarHBondContact O-N 2.95Å; T419-D422 PolarHBondContact O-N 3.04Å; T419-L423 PolarHBondContact O-N 2.72Å
420	E	53.6	Low	37.4	Very low	150 Å²	150	112.2 Å²	112.2	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-56.6	-23.8	-176.9	-160.4	173.7	171.5	0	0	112.9	K424	E420-K424 WeakPolarHBondContact O-CG 3.43Å; E420-K424 PolarHBondContact O-N 2.96Å
421	D	50	Low	37	Very low	100 Å²	100	118 Å²	118	54%	0.535	65%	0.652	S	S	.	*	H	α-helix	trans	-77.9	-32.4	175.4	-58.9	-45.9	0	0	0	114	T419 L423 K424 A425	T419-D421 PolarHBondContact O-N 2.95Å; D421-L423 VanDerWaalsContact C-N 3.3Å; D421-L423 PolarHBondContact O-N 2.71Å; D421-K424 PolarHBondContact O-N 3Å; D421-K424 IonicContact OD1-NZ 3.62Å; D421-K424 PolarHBondContact OD1-NZ 3.27Å; D421-A425 WeakPolarHBondContact O-CB 3.05Å; D421-A425 PolarHBondContact O-N 3.21Å
422	D	44.9	Very low	36.7	Very low	68 Å²	68	116.8 Å²	116.8	36%	0.364	64%	0.642	S	S	.	*	H	α-helix	trans	-65.6	-36.9	171.1	-80.6	-29.3	0	0	0	110.7	L418 T419 A425 L426	L418-D422 HydrophobicContact CB-CB 3.9Å; L418-D422 HydrophobicContact CD2-CB 3.91Å; L418-D422 HydrophobicContact CG-CB 4.44Å; T419-D422 PolarHBondContact O-N 3.04Å; D422-A425 PolarHBondContact O-N 3.19Å; D422-L426 WeakPolarHBondContact O-CB 3.17Å; D422-L426 WeakPolarHBondContact O-CG 3.18Å; D422-L426 PolarHBondContact O-N 3.32Å
423	L	44.7	Very low	36.5	Very low	106 Å²	106	122 Å²	122	56%	0.555	65%	0.646	S	S	*	*	H	α-helix	trans	-67.5	-34.5	174.8	-65.7	176.5	0	0	0	112.3	L418 T419 D421 L426 S427	L418-L423 HydrophobicContact CD1-CD2 4.41Å; T419-L423 PolarHBondContact O-N 2.72Å; D421-L423 VanDerWaalsContact C-N 3.3Å; D421-L423 PolarHBondContact O-N 2.71Å; L423-L426 PolarHBondContact O-N 3.46Å; L423-S427 PolarHBondContact O-N 3.25Å
424	K	46.9	Very low	36.3	Very low	125 Å²	125	122 Å²	122	54%	0.543	64%	0.644	S	S	.	*	H	α-helix	trans	-67.8	-38.4	169.7	-68.5	170.9	-160.4	154.7	0	112	E420 D421 L426 S427	E420-K424 WeakPolarHBondContact O-CG 3.43Å; E420-K424 PolarHBondContact O-N 2.96Å; D421-K424 PolarHBondContact O-N 3Å; D421-K424 IonicContact OD1-NZ 3.62Å; D421-K424 PolarHBondContact OD1-NZ 3.27Å; K424-L426 VanDerWaalsContact C-N 3.28Å; K424-L426 PolarHBondContact O-N 2.97Å; K424-S427 WeakPolarHBondContact O-CB 3.31Å; K424-S427 PolarHBondContact O-N 2.81Å
425	A	41.4	Very low	36.3	Very low	81 Å²	81	122.9 Å²	122.9	67%	0.669	65%	0.646	S	S	*	*	H	α-helix	trans	-68.8	-26.1	177.4	0	0	0	0	0	113.3	D421 D422	D421-A425 WeakPolarHBondContact O-CB 3.05Å; D421-A425 PolarHBondContact O-N 3.21Å; D422-A425 PolarHBondContact O-N 3.19Å
426	L	32.8	Very low	35.6	Very low	121 Å²	121	127 Å²	127	63%	0.634	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-1.8	173.9	-69.6	171.3	0	0	0	114	L418 D422 L423 K424	L418-L426 HydrophobicContact CD1-CD1 4.2Å; D422-L426 WeakPolarHBondContact O-CB 3.17Å; D422-L426 WeakPolarHBondContact O-CG 3.18Å; D422-L426 PolarHBondContact O-N 3.32Å; L423-L426 PolarHBondContact O-N 3.46Å; K424-L426 VanDerWaalsContact C-N 3.28Å; K424-L426 PolarHBondContact O-N 2.97Å
427	S	32.1	Very low	35	Very low	53 Å²	53	130.8 Å²	130.8	37%	0.371	65%	0.653	S	S	.	*	S	Bend	trans	-52.7	127.4	161.1	174.9	0	0	0	0	108.7	L423 K424 Q429	L423-S427 PolarHBondContact O-N 3.25Å; K424-S427 WeakPolarHBondContact O-CB 3.31Å; K424-S427 PolarHBondContact O-N 2.81Å; S427-Q429 PolarHBondContact O-N 2.85Å; S427-Q429 PolarHBondContact OG-OE1 3.36Å
428	P	27	Very low	34.4	Very low	126 Å²	126	125.1 Å²	125.1	82%	0.818	64%	0.638	S	S	*	*			trans	-73.6	66.8	174.4	31.6	-34.5	0	0	0	109.9	S430	P428-S430 VanDerWaalsContact C-N 3.31Å; P428-S430 PolarHBondContact O-N 2.84Å
429	Q	28.1	Very low	33.8	Very low	145 Å²	145	125.2 Å²	125.2	68%	0.678	64%	0.639	S	S	*	*			trans	-61.4	95.6	168.4	-131.7	85.1	4.7	0	0	107.1	S427 R431	S427-Q429 PolarHBondContact O-N 2.85Å; S427-Q429 PolarHBondContact OG-OE1 3.36Å; Q429-R431 PolarHBondContact O-N 3.39Å
430	S	26.8	Very low	33.2	Very low	92 Å²	92	128 Å²	128	64%	0.643	64%	0.643	S	S	*	*			trans	-50.8	108.9	-177.2	-173.9	0	0	0	0	109.9	P428 F432	P428-S430 VanDerWaalsContact C-N 3.31Å; P428-S430 PolarHBondContact O-N 2.84Å; S430-F432 PolarHBondContact O-N 2.79Å; S430-F432 WeakPolarHBondContact OG-CD2 3.36Å
431	R	23.4	Very low	32	Very low	234 Å²	234	130.1 Å²	130.1	88%	0.883	65%	0.65	S	S	*	*			trans	-88	29.4	-159.1	-136.1	-178.4	-167.9	-161.4	7.2	112.9	Q429 R433	Q429-R431 PolarHBondContact O-N 3.39Å; R431-R433 PolarHBondContact O-N 3.31Å
432	F	25	Very low	30.8	Very low	152 Å²	152	131 Å²	131	67%	0.667	65%	0.651	S	S	*	*			trans	-68	77.5	173.4	-74.2	-71.7	0	0	0	110.7	S430 V434	S430-F432 PolarHBondContact O-N 2.79Å; S430-F432 WeakPolarHBondContact OG-CD2 3.36Å; F432-V434 PolarHBondContact O-N 3.08Å
433	R	23.8	Very low	30	Very low	209 Å²	209	131.4 Å²	131.4	79%	0.789	66%	0.664	S	S	*	*			trans	-70.4	80.1	165.1	-103.1	-173.3	176.6	-177.6	0.3	108.8	R431 T435	R431-R433 PolarHBondContact O-N 3.31Å; R433-T435 HydrophobicContact CB-CG2 4.09Å; R433-T435 HydrophobicContact CG-CG2 4.43Å; R433-T435 PolarHBondContact O-N 3.05Å; R433-T435 PolarHBondContact O-OG1 3.29Å
434	V	26.2	Very low	29	Very low	121 Å²	121	136.4 Å²	136.4	73%	0.733	68%	0.675	S	S	*	*			trans	-60.6	93.1	160.5	-178	0	0	0	0	106.6	F432	F432-V434 PolarHBondContact O-N 3.08Å
435	T	29.9	Very low	28	Very low	113 Å²	113	137.4 Å²	137.4	69%	0.693	69%	0.685	S	S	*	*			trans	-93.1	-6.2	-164.1	13.8	0	0	0	0	112.9	R433	R433-T435 HydrophobicContact CB-CG2 4.09Å; R433-T435 HydrophobicContact CG-CG2 4.43Å; R433-T435 PolarHBondContact O-N 3.05Å; R433-T435 PolarHBondContact O-OG1 3.29Å
436	R	24.2	Very low	27.3	Very low	207 Å²	207	134.5 Å²	134.5	78%	0.781	66%	0.661	S	S	*	*	S	Bend	trans	-146	128.6	170.7	-62.6	-171.7	177.9	-142.9	-5.1	108.1	A438	R436-A438 PolarHBondContact O-N 3.08Å
437	F	28.2	Very low	26.9	Very low	188 Å²	188	133.4 Å²	133.4	83%	0.825	66%	0.662	S	S	*	*			trans	-61	132.4	154.8	-70	-87.4	0	0	0	107	D439	F437-D439 PolarHBondContact O-N 2.86Å
438	A	26.2	Very low	26.7	Very low	64 Å²	64	135.8 Å²	135.8	53%	0.529	69%	0.685	S	S	.	*			trans	-63.6	106.7	172.3	0	0	0	0	0	107.6	R436	R436-A438 PolarHBondContact O-N 3.08Å
439	D	28.1	Very low	26.9	Very low	86 Å²	86	139.9 Å²	139.9	46%	0.46	69%	0.689	S	S	.	*			trans	-56.6	147.8	174.9	-172	0.9	0	0	0	108.7	F437 K441 Q442	F437-D439 PolarHBondContact O-N 2.86Å; D439-K441 PolarHBondContact O-N 2.78Å; D439-Q442 CarbonylContact O-C 3.55Å; D439-Q442 WeakPolarHBondContact O-CA 3.49Å; D439-Q442 PolarHBondContact O-N 3.16Å
440	K	34.5	Very low	27	Very low	146 Å²	146	134.6 Å²	134.6	64%	0.635	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-8.9	-171.4	-162.9	169.3	-175	168.3	0	113.9	L303	L303-K440 HydrophobicContact CD1-CD 4.34Å
441	K	27.8	Very low	27.2	Very low	196 Å²	196	134.4 Å²	134.4	85%	0.852	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-18.2	172.4	-63.9	-179.5	-178.4	174.4	0	114.3	D439 A443	D439-K441 PolarHBondContact O-N 2.78Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 3.09Å
442	Q	24.9	Very low	27.6	Very low	117 Å²	117	129.8 Å²	129.8	55%	0.547	67%	0.67	S	S	.	*	S	Bend	trans	-96.9	64.2	168.5	-66	-167	-0.8	0	0	109.1	D439 W444	D439-Q442 CarbonylContact O-C 3.55Å; D439-Q442 WeakPolarHBondContact O-CA 3.49Å; D439-Q442 PolarHBondContact O-N 3.16Å; Q442-W444 PolarHBondContact O-N 3Å
443	A	27.2	Very low	27.7	Very low	77 Å²	77	128 Å²	128	64%	0.636	67%	0.671	S	S	*	*			trans	-51.8	114.7	162.3	0	0	0	0	0	107.7	K441 I445	K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 3.09Å; A443-I445 HydrophobicContact CB-CG1 4.35Å; A443-I445 PolarHBondContact O-N 3Å
444	W	25.2	Very low	27.9	Very low	211 Å²	211	123.5 Å²	123.5	80%	0.799	67%	0.667	S	S	*	*			trans	-76.5	75	176.8	-125.3	68.1	0	0	0	107.8	Q442 A446	Q442-W444 PolarHBondContact O-N 3Å; W444-A446 VanDerWaalsContact C-N 3.34Å; W444-A446 PolarHBondContact O-N 3.48Å
445	I	25	Very low	28	Very low	147 Å²	147	122.6 Å²	122.6	75%	0.754	65%	0.654	S	S	*	*			trans	-65.1	102.1	168.1	-56.6	176	0	0	0	105.1	A443	A443-I445 HydrophobicContact CB-CG1 4.35Å; A443-I445 PolarHBondContact O-N 3Å
446	A	26.4	Very low	28.1	Very low	20 Å²	20	121.2 Å²	121.2	17%	0.165	64%	0.642	C	S	.	*			trans	-51	135.2	169.1	0	0	0	0	0	107.7	W444 A448 A450 F452	W444-A446 VanDerWaalsContact C-N 3.34Å; W444-A446 PolarHBondContact O-N 3.48Å; A446-A448 PolarHBondContact O-N 2.94Å; A446-A450 HydrophobicContact CB-CB 4.37Å; A446-F452 HydrophobicContact CB-CD2 4.48Å; A446-F452 HydrophobicContact CB-CE2 4.05Å
447	P	24.3	Very low	28.5	Very low	98 Å²	98	117.1 Å²	117.1	64%	0.636	64%	0.636	S	S	*	*			trans	-53	133.7	-179.3	-24	32.6	0	0	0	109	K449 A450	P447-K449 PolarHBondContact O-N 2.75Å; P447-A450 WeakPolarHBondContact O-CB 3.46Å; P447-A450 PolarHBondContact O-N 2.82Å
448	A	29.1	Very low	28.5	Very low	103 Å²	103	117.1 Å²	117.1	85%	0.851	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-0.7	-169.1	0	0	0	0	0	116.5	A446	A446-A448 PolarHBondContact O-N 2.94Å
449	K	30.4	Very low	28.7	Very low	212 Å²	212	116.9 Å²	116.9	92%	0.922	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-3.8	171.6	-61.7	-169.1	176.3	-171.1	0	114.2	P447	P447-K449 PolarHBondContact O-N 2.75Å
450	A	31.5	Very low	29	Very low	34 Å²	34	119.6 Å²	119.6	28%	0.281	64%	0.642	S	S	.	*	S	Bend	trans	-85.9	107.3	164.4	0	0	0	0	0	107	A446 P447 F452	A446-A450 HydrophobicContact CB-CB 4.37Å; P447-A450 WeakPolarHBondContact O-CB 3.46Å; P447-A450 PolarHBondContact O-N 2.82Å; A450-F452 HydrophobicContact CB-CD1 4.26Å; A450-F452 HydrophobicContact CB-CE1 3.75Å; A450-F452 HydrophobicContact CB-CZ 3.91Å; A450-F452 PolarHBondContact O-N 3.33Å
451	G	29.6	Very low	28.9	Very low	88 Å²	88	120.8 Å²	120.8	91%	0.907	65%	0.647	S	S	*	*			trans	-74.1	48.9	-171.2	0	0	0	0	0	114.8
452	F	31.9	Very low	29.6	Very low	137 Å²	137	116 Å²	116	60%	0.601	63%	0.631	S	S	*	*			trans	-145.2	131.8	175.4	52.6	-96.9	0	0	0	111.4	A446 A450 V454	A446-F452 HydrophobicContact CB-CD2 4.48Å; A446-F452 HydrophobicContact CB-CE2 4.05Å; A450-F452 HydrophobicContact CB-CD1 4.26Å; A450-F452 HydrophobicContact CB-CE1 3.75Å; A450-F452 HydrophobicContact CB-CZ 3.91Å; A450-F452 PolarHBondContact O-N 3.33Å; F452-V454 HydrophobicContact CD2-CG2 4.19Å; F452-V454 HydrophobicContact CE2-CG2 4.46Å
453	T	26.9	Very low	30.5	Very low	114 Å²	114	112.8 Å²	112.8	70%	0.699	62%	0.62	S	S	*	*			trans	-94.5	115.9	173.5	40.2	0	0	0	0	110.3	H455	T453-H455 PolarHBondContact O-CD2 3.35Å; T453-H455 PolarHBondContact OG1-NE2 2.78Å
454	V	27.5	Very low	31.2	Very low	114 Å²	114	115.4 Å²	115.4	69%	0.691	62%	0.619	S	S	*	*			trans	-82.6	117.6	170.9	-177.8	0	0	0	0	108.5	F452	F452-V454 HydrophobicContact CD2-CG2 4.19Å; F452-V454 HydrophobicContact CE2-CG2 4.46Å
455	H	29.6	Very low	32.3	Very low	103 Å²	103	109.6 Å²	109.6	48%	0.477	60%	0.598	S	S	.	*			trans	-91.1	120.9	178	-66.1	-87.6	0	0	0	110.7	T453 L457	T453-H455 PolarHBondContact O-CD2 3.35Å; T453-H455 PolarHBondContact OG1-NE2 2.78Å; H455-L457 PolarHBondContact O-N 2.9Å
456	D	31.5	Very low	33.2	Very low	83 Å²	83	104.5 Å²	104.5	44%	0.444	57%	0.573	S	S	.	*			trans	-77	104.5	175.2	-173.9	-1.6	0	0	0	110.7	W458 T459	D456-W458 PolarHBondContact O-N 3.2Å; D456-W458 WeakPolarHBondContact OD1-CA 3.48Å; D456-W458 VanDerWaalsContact OD1-CB 3.23Å; D456-W458 WeakPolarHBondContact OD1-CB 3.47Å; D456-W458 PolarHBondContact OD1-N 3.08Å; D456-T459 HydrophobicContact CB-CG2 4.32Å; D456-T459 PolarHBondContact O-N 2.94Å; D456-T459 PolarHBondContact O-OG1 3.22Å
457	L	32.7	Very low	34.1	Very low	122 Å²	122	107.3 Å²	107.3	64%	0.639	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-11.6	175.6	-64.1	175.2	0	0	0	113.4	L150 H455	L150-L457 HydrophobicContact CD1-CD1 4.09Å; L150-L457 HydrophobicContact CD1-CD2 3.75Å; L150-L457 HydrophobicContact CD2-CD1 4.19Å; L150-L457 HydrophobicContact CD2-CD2 4.15Å; H455-L457 PolarHBondContact O-N 2.9Å
458	W	29.1	Very low	35	Very low	187 Å²	187	107.8 Å²	107.8	71%	0.708	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-9.7	-175.2	-57.9	47.8	0	0	0	111.8	D456 T460	D456-W458 PolarHBondContact O-N 3.2Å; D456-W458 WeakPolarHBondContact OD1-CA 3.48Å; D456-W458 VanDerWaalsContact OD1-CB 3.23Å; D456-W458 WeakPolarHBondContact OD1-CB 3.47Å; D456-W458 PolarHBondContact OD1-N 3.08Å; W458-T460 PolarHBondContact O-N 2.99Å; W458-T460 VanDerWaalsContact O-N 3.17Å
459	T	30.4	Very low	35.8	Very low	59 Å²	59	105 Å²	105	36%	0.362	55%	0.548	S	S	.	.			trans	-74.6	101	167.1	44	0	0	0	0	111	D456 K461	D456-T459 HydrophobicContact CB-CG2 4.32Å; D456-T459 PolarHBondContact O-N 2.94Å; D456-T459 PolarHBondContact O-OG1 3.22Å; T459-K461 CarbonylContact O-C 3.5Å; T459-K461 PolarHBondContact O-N 3.3Å; T459-K461 VanDerWaalsContact O-N 3.08Å
460	T	33	Very low	36.5	Very low	143 Å²	143	96.8 Å²	96.8	88%	0.877	52%	0.52	S	S	*	.	S	Bend	trans	-56.3	-21.1	168	54.8	0	0	0	0	113.1	W458 L462	W458-T460 PolarHBondContact O-N 2.99Å; W458-T460 VanDerWaalsContact O-N 3.17Å; T460-L462 PolarHBondContact O-N 2.88Å
461	K	33.7	Very low	37	Very low	171 Å²	171	100.3 Å²	100.3	74%	0.743	53%	0.53	S	S	*	.	S	Bend	trans	-82.3	99.3	164.5	-65.7	-171.1	177.4	-171.6	0	109.2	T459	T459-K461 CarbonylContact O-C 3.5Å; T459-K461 PolarHBondContact O-N 3.3Å; T459-K461 VanDerWaalsContact O-N 3.08Å
462	L	41.5	Very low	37.5	Very low	96 Å²	96	99.1 Å²	99.1	50%	0.503	50%	0.501	S	S	.	.			trans	-49.7	146.7	164.8	-66	170.3	0	0	0	110.1	T460 V466 L467	T460-L462 PolarHBondContact O-N 2.88Å; L462-V466 HydrophobicContact CB-CB 4.18Å; L462-V466 HydrophobicContact CB-CG1 4.12Å; L462-V466 HydrophobicContact CD1-CG1 4.01Å; L462-V466 HydrophobicContact CD2-CG1 4.46Å; L462-V466 HydrophobicContact CG-CG1 4.43Å; L462-L467 HydrophobicContact CB-CD2 4.05Å; L462-L467 HydrophobicContact CB-CG 4.18Å; L462-L467 WeakPolarHBondContact O-CD1 3.33Å; L462-L467 WeakPolarHBondContact O-CG 3.45Å
463	P	44.1	Very low	38	Very low	50 Å²	50	97.3 Å²	97.3	33%	0.325	50%	0.497	S	S	.	.			trans	-53	148	177	-27.5	34.8	0	0	0	112.6	Y465 V466 L467	P463-Y465 HydrophobicContact CB-CD1 3.51Å; P463-Y465 HydrophobicContact CB-CE1 3.35Å; P463-Y465 HydrophobicContact CG-CE1 3.89Å; P463-Y465 PolarHBondContact O-N 3.02Å; P463-Y465 VanDerWaalsContact O-N 3.09Å; P463-V466 HydrophobicContact CB-CG2 4.2Å; P463-V466 HydrophobicContact CG-CG2 4.27Å; P463-V466 WeakPolarHBondContact O-CA 3.33Å; P463-V466 WeakPolarHBondContact O-CB 3.34Å; P463-V466 PolarHBondContact O-N 3.02Å; P463-L467 PolarHBondContact O-N 3.2Å
464	E	42.8	Very low	38.8	Very low	132 Å²	132	98.8 Å²	98.8	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-26.1	-173.7	-162.4	-170	-122.7	0	0	113.4	R468	E464-R468 WeakPolarHBondContact O-CB 3.29Å; E464-R468 WeakPolarHBondContact O-CG 3.35Å; E464-R468 PolarHBondContact O-N 3.49Å; E464-R468 IonicContact OE2-CZ 2.79Å; E464-R468 IonicContact OE2-NE 3.71Å; E464-R468 IonicContact OE2-NH2 2.85Å; E464-R468 PolarHBondContact OE2-NH2 2.81Å
465	Y	46.6	Very low	39.2	Very low	89 Å²	89	98.9 Å²	98.9	35%	0.349	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-40.2	171.7	78.5	-90.2	0	0	0	112.2	P463 R468 C469	P463-Y465 HydrophobicContact CB-CD1 3.51Å; P463-Y465 HydrophobicContact CB-CE1 3.35Å; P463-Y465 HydrophobicContact CG-CE1 3.89Å; P463-Y465 PolarHBondContact O-N 3.02Å; P463-Y465 VanDerWaalsContact O-N 3.09Å; Y465-R468 PolarHBondContact O-N 3.33Å; Y465-C469 PolarHBondContact O-N 3.13Å; Y465-C469 PolarHBondContact O-SG 3.16Å
466	V	45.4	Very low	39.6	Very low	40 Å²	40	96.9 Å²	96.9	24%	0.242	49%	0.487	C	S	.	.	H	α-helix	trans	-65.5	-41.8	174.4	-176.9	0	0	0	0	110.1	L462 P463 C469 A470	L462-V466 HydrophobicContact CB-CB 4.18Å; L462-V466 HydrophobicContact CB-CG1 4.12Å; L462-V466 HydrophobicContact CD1-CG1 4.01Å; L462-V466 HydrophobicContact CD2-CG1 4.46Å; L462-V466 HydrophobicContact CG-CG1 4.43Å; P463-V466 HydrophobicContact CB-CG2 4.2Å; P463-V466 HydrophobicContact CG-CG2 4.27Å; P463-V466 WeakPolarHBondContact O-CA 3.33Å; P463-V466 WeakPolarHBondContact O-CB 3.34Å; P463-V466 PolarHBondContact O-N 3.02Å; V466-C469 PolarHBondContact O-N 2.85Å; V466-A470 WeakPolarHBondContact O-CB 3.48Å; V466-A470 PolarHBondContact O-N 3.44Å
467	L	44.7	Very low	39.7	Very low	78 Å²	78	96.3 Å²	96.3	41%	0.408	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-42.8	173.8	-66.4	176.4	0	0	0	111.7	L462 P463 A470 E471	L462-L467 HydrophobicContact CB-CD2 4.05Å; L462-L467 HydrophobicContact CB-CG 4.18Å; L462-L467 WeakPolarHBondContact O-CD1 3.33Å; L462-L467 WeakPolarHBondContact O-CG 3.45Å; P463-L467 PolarHBondContact O-N 3.2Å; L467-A470 CarbonylContact O-C 3.6Å; L467-A470 PolarHBondContact O-N 3.22Å; L467-E471 WeakPolarHBondContact O-CG 3.41Å; L467-E471 PolarHBondContact O-N 3.03Å
468	R	42.9	Very low	39.8	Very low	109 Å²	109	95.8 Å²	95.8	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-42.9	174.4	-84.3	-174	-94.5	150.7	-12.2	112.7	E464 Y465 A470 E471 H472	E464-R468 WeakPolarHBondContact O-CB 3.29Å; E464-R468 WeakPolarHBondContact O-CG 3.35Å; E464-R468 PolarHBondContact O-N 3.49Å; E464-R468 IonicContact OE2-CZ 2.79Å; E464-R468 IonicContact OE2-NE 3.71Å; E464-R468 IonicContact OE2-NH2 2.85Å; E464-R468 PolarHBondContact OE2-NH2 2.81Å; Y465-R468 PolarHBondContact O-N 3.33Å; R468-A470 VanDerWaalsContact C-N 3.3Å; R468-A470 PolarHBondContact O-N 2.73Å; R468-E471 PolarHBondContact O-N 2.76Å; R468-H472 PolarHBondContact O-CD2 2.78Å; R468-H472 PolarHBondContact O-N 2.93Å
469	C	45.9	Very low	39.8	Very low	44 Å²	44	89.8 Å²	89.8	30%	0.297	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-41	172.8	-68.8	0	0	0	0	111.6	Y465 V466 H472 L473	Y465-C469 PolarHBondContact O-N 3.13Å; Y465-C469 PolarHBondContact O-SG 3.16Å; V466-C469 PolarHBondContact O-N 2.85Å; C469-H472 PolarHBondContact O-N 2.9Å; C469-L473 WeakPolarHBondContact O-CG 3.39Å; C469-L473 PolarHBondContact O-N 3.19Å
470	A	44.7	Very low	39.7	Very low	40 Å²	40	94.7 Å²	94.7	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-67.9	-33.7	175.1	0	0	0	0	0	113.5	V466 L467 R468 L473 K474	V466-A470 WeakPolarHBondContact O-CB 3.48Å; V466-A470 PolarHBondContact O-N 3.44Å; L467-A470 CarbonylContact O-C 3.6Å; L467-A470 PolarHBondContact O-N 3.22Å; R468-A470 VanDerWaalsContact C-N 3.3Å; R468-A470 PolarHBondContact O-N 2.73Å; A470-L473 PolarHBondContact O-N 2.85Å; A470-K474 WeakPolarHBondContact O-CG 3.42Å; A470-K474 PolarHBondContact O-N 2.92Å
471	E	41.9	Very low	39.4	Very low	108 Å²	108	94.6 Å²	94.6	51%	0.505	52%	0.521	S	S	.	.	H	α-helix	trans	-71.5	-38.5	172.5	-75.3	-174.2	158.1	0	0	112.2	L467 R468 L473 K474 I475	L467-E471 WeakPolarHBondContact O-CG 3.41Å; L467-E471 PolarHBondContact O-N 3.03Å; R468-E471 PolarHBondContact O-N 2.76Å; E471-L473 VanDerWaalsContact C-N 3.31Å; E471-L473 PolarHBondContact O-N 2.96Å; E471-K474 WeakPolarHBondContact O-CB 3.33Å; E471-K474 PolarHBondContact O-N 3.29Å; E471-K474 VanDerWaalsContact O-N 3.09Å; E471-I475 WeakPolarHBondContact O-CG1 3.48Å; E471-I475 PolarHBondContact O-N 2.73Å
472	H	41.2	Very low	39	Very low	62 Å²	62	93.2 Å²	93.2	29%	0.287	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-37.3	172	-82.1	-121.4	0	0	0	111.6	R468 C469 K474 I475 S476	R468-H472 PolarHBondContact O-CD2 2.78Å; R468-H472 PolarHBondContact O-N 2.93Å; C469-H472 PolarHBondContact O-N 2.9Å; H472-K474 VanDerWaalsContact C-N 3.3Å; H472-K474 PolarHBondContact O-N 2.86Å; H472-I475 PolarHBondContact O-N 2.79Å; H472-I475 VanDerWaalsContact O-N 3.12Å; H472-S476 WeakPolarHBondContact O-CB 3.14Å; H472-S476 PolarHBondContact O-N 2.99Å; H472-S476 PolarHBondContact O-OG 3.47Å
473	L	41.9	Very low	38.3	Very low	99 Å²	99	97.2 Å²	97.2	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-59.2	-36.9	170.4	-77	165	0	0	0	112.8	C469 A470 E471 G477 Y492	C469-L473 WeakPolarHBondContact O-CG 3.39Å; C469-L473 PolarHBondContact O-N 3.19Å; A470-L473 PolarHBondContact O-N 2.85Å; E471-L473 VanDerWaalsContact C-N 3.31Å; E471-L473 PolarHBondContact O-N 2.96Å; L473-G477 PolarHBondContact O-N 2.83Å; L473-Y492 HydrophobicContact CD2-CE2 4.12Å; L473-Y492 VanDerWaalsContact CD2-OH 3.28Å; L473-Y492 WeakPolarHBondContact CD2-OH 3.49Å
474	K	43.1	Very low	37.5	Very low	145 Å²	145	104 Å²	104	63%	0.63	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-37.8	172.9	-63.4	170.6	-172.9	171	0	112.5	A470 E471 H472 S478	A470-K474 WeakPolarHBondContact O-CG 3.42Å; A470-K474 PolarHBondContact O-N 2.92Å; E471-K474 WeakPolarHBondContact O-CB 3.33Å; E471-K474 PolarHBondContact O-N 3.29Å; E471-K474 VanDerWaalsContact O-N 3.09Å; H472-K474 VanDerWaalsContact C-N 3.3Å; H472-K474 PolarHBondContact O-N 2.86Å; K474-S478 PolarHBondContact O-OG 2.77Å
475	I	36.6	Very low	36.7	Very low	116 Å²	116	107 Å²	107	60%	0.595	58%	0.578	S	S	*	*	H	α-helix	trans	-76.5	-47.2	-176.6	-63.8	163	0	0	0	110.9	E471 H472 G477 S478	E471-I475 WeakPolarHBondContact O-CG1 3.48Å; E471-I475 PolarHBondContact O-N 2.73Å; H472-I475 PolarHBondContact O-N 2.79Å; H472-I475 VanDerWaalsContact O-N 3.12Å; I475-G477 VanDerWaalsContact C-N 3.25Å; I475-G477 PolarHBondContact O-N 3.26Å; I475-S478 PolarHBondContact O-N 3.33Å
476	S	37.2	Very low	35.8	Very low	62 Å²	62	111 Å²	111	43%	0.434	60%	0.597	S	S	.	*	H	α-helix	trans	-60.5	-32.8	179.3	-68.4	0	0	0	0	112.9	H472 S478	H472-S476 WeakPolarHBondContact O-CB 3.14Å; H472-S476 PolarHBondContact O-N 2.99Å; H472-S476 PolarHBondContact O-OG 3.47Å; S476-S478 PolarHBondContact O-N 3.25Å
477	G	34.4	Very low	35	Very low	71 Å²	71	118 Å²	118	73%	0.732	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-12.9	174.9	0	0	0	0	0	115.3	L473 I475	L473-G477 PolarHBondContact O-N 2.83Å; I475-G477 VanDerWaalsContact C-N 3.25Å; I475-G477 PolarHBondContact O-N 3.26Å
478	S	34.8	Very low	34.3	Very low	111 Å²	111	118.5 Å²	118.5	78%	0.776	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-5.2	-173.2	-56.7	0	0	0	0	114.6	K474 I475 S476	K474-S478 PolarHBondContact O-OG 2.77Å; I475-S478 PolarHBondContact O-N 3.33Å; S476-S478 PolarHBondContact O-N 3.25Å
479	G	28.8	Very low	33.8	Very low	61 Å²	61	121.5 Å²	121.5	63%	0.629	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	-26.7	-169.5	0	0	0	0	0	116.9	N481	G479-N481 PolarHBondContact O-N 2.7Å; G479-N481 VanDerWaalsContact O-N 3.11Å
480	L	28.8	Very low	33.5	Very low	161 Å²	161	126.2 Å²	126.2	84%	0.843	69%	0.688	S	S	*	*			trans	-92.3	69	-172.1	-74.3	169.2	0	0	0	112.8
481	N	25.3	Very low	33.4	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	70%	0.7	S	S	*	*			trans	-84.9	130.9	156.4	-116.7	-51.1	0	0	0	109.4	G479	G479-N481 PolarHBondContact O-N 2.7Å; G479-N481 VanDerWaalsContact O-N 3.11Å
482	L	26.8	Very low	33.5	Very low	142 Å²	142	128.2 Å²	128.2	74%	0.743	70%	0.695	S	S	*	*	S	Bend	trans	73.3	125.1	173.5	-74.9	77.9	0	0	0	118.7
483	Q	26.5	Very low	33.7	Very low	179 Å²	179	127.6 Å²	127.6	84%	0.836	70%	0.697	S	S	*	*			trans	72.8	69	156.7	-60.3	-172.8	12.8	0	0	119.3
484	Q	27.1	Very low	33.8	Very low	193 Å²	193	127 Å²	127	90%	0.902	70%	0.695	S	S	*	*				-154	72.3	129.6	-115.7	166	21.5	0	0	113.2	K486	Q484-K486 VanDerWaalsContact C-N 3.35Å; Q484-K486 PolarHBondContact O-N 3.41Å; Q484-K486 VanDerWaalsContact O-N 3.1Å
485	E	27	Very low	34	Very low	196 Å²	196	125 Å²	125	92%	0.916	69%	0.691	S	S	*	*			trans	-69.7	92.7	153.5	-75.5	-178.1	120.1	0	0	109.1
486	K	26.3	Very low	34.3	Very low	172 Å²	172	121.6 Å²	121.6	75%	0.748	67%	0.674	S	S	*	*			trans	-175.8	116.2	153.8	-109.8	164.4	-173.2	179.2	0	111.5	Q484	Q484-K486 VanDerWaalsContact C-N 3.35Å; Q484-K486 PolarHBondContact O-N 3.41Å; Q484-K486 VanDerWaalsContact O-N 3.1Å
487	F	29	Very low	34.8	Very low	188 Å²	188	122.5 Å²	122.5	83%	0.825	67%	0.673	S	S	*	*			trans	61.3	114.1	178.8	-50.4	-81.6	0	0	0	112.5	E489	F487-E489 VanDerWaalsContact C-N 3.34Å
488	G	30.4	Very low	35.2	Very low	88 Å²	88	124.3 Å²	124.3	91%	0.907	66%	0.664	S	S	*	*			cis	99.7	-15.3	39.1	0	0	0	0	0	111.1
489	E	33	Very low	35.8	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.804	65%	0.653	S	S	*	*			trans	-101.3	125.9	172.9	-69.1	175.1	170.8	0	0	109.3	F487	F487-E489 VanDerWaalsContact C-N 3.34Å
490	I	39	Very low	36.5	Very low	143 Å²	143	122.2 Å²	122.2	73%	0.733	64%	0.637	S	S	*	*			trans	-60.6	125.9	166.1	-64.1	162.5	0	0	0	105.8	Y492	I490-Y492 HydrophobicContact CG2-CD2 4.04Å; I490-Y492 PolarHBondContact O-N 3.44Å
491	P	42.2	Very low	37	Very low	90 Å²	90	118.9 Å²	118.9	58%	0.584	62%	0.617	S	S	*	*	S	Bend	trans	-75.6	26.7	-168.9	30.8	-36.6	0	0	0	114
492	Y	45	Very low	37.9	Very low	99 Å²	99	113.2 Å²	113.2	39%	0.388	59%	0.588	S	S	.	*			trans	-140	112.1	-177.6	-51.1	-67.9	0	0	0	108.5	L473 I490	L473-Y492 HydrophobicContact CD2-CE2 4.12Å; L473-Y492 VanDerWaalsContact CD2-OH 3.28Å; L473-Y492 WeakPolarHBondContact CD2-OH 3.49Å; I490-Y492 HydrophobicContact CG2-CD2 4.04Å; I490-Y492 PolarHBondContact O-N 3.44Å
493	S	43.6	Very low	38.8	Very low	49 Å²	49	111.9 Å²	111.9	34%	0.343	58%	0.581	S	S	.	*			trans	-68.5	136.6	160.7	-176	0	0	0	0	108.6	D495 D496 I497	S493-D495 PolarHBondContact O-N 3.16Å; S493-D495 PolarHBondContact OG-N 3.5Å; S493-D496 VanDerWaalsContact CB-OD2 3.28Å; S493-D496 WeakPolarHBondContact CB-OD2 3.45Å; S493-D496 PolarHBondContact O-N 3.32Å; S493-I497 PolarHBondContact O-N 2.92Å
494	L	45.5	Very low	39.5	Very low	88 Å²	88	106.4 Å²	106.4	46%	0.461	57%	0.567	S	S	.	*	H	α-helix	trans	-61.8	-33.4	174.2	-150.5	84.1	0	0	0	110.6	I497 I498	L494-I497 PolarHBondContact O-N 2.94Å; L494-I498 HydrophobicContact CD2-CD1 4.43Å; L494-I498 HydrophobicContact CG-CD1 4.47Å; L494-I498 WeakPolarHBondContact O-CD1 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 2.9Å; L494-I498 PolarHBondContact O-N 2.99Å; L494-I498 VanDerWaalsContact O-N 3.16Å
495	D	46.3	Very low	40.3	Very low	103 Å²	103	98.9 Å²	98.9	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-66.7	-34.4	177.3	-63.6	-42.8	0	0	0	112.3	S493 I498 N499	S493-D495 PolarHBondContact O-N 3.16Å; S493-D495 PolarHBondContact OG-N 3.5Å; D495-I498 PolarHBondContact O-N 2.96Å; D495-N499 WeakPolarHBondContact O-CB 3.39Å; D495-N499 PolarHBondContact O-N 2.95Å; D495-N499 PolarHBondContact O-ND2 2.87Å
496	D	43.7	Very low	41.3	Very low	43 Å²	43	98.6 Å²	98.6	23%	0.23	53%	0.533	C	S	.	.	H	α-helix	trans	-64.8	-46	178	-68.6	-28.1	0	0	0	110.3	S493 I498 N499 G500 H501 L503	S493-D496 VanDerWaalsContact CB-OD2 3.28Å; S493-D496 WeakPolarHBondContact CB-OD2 3.45Å; S493-D496 PolarHBondContact O-N 3.32Å; D496-I498 VanDerWaalsContact C-N 3.32Å; D496-I498 PolarHBondContact O-N 3.24Å; D496-N499 CarbonylContact O-C 3.49Å; D496-N499 PolarHBondContact O-N 3.48Å; D496-G500 PolarHBondContact O-N 3.04Å; D496-G500 VanDerWaalsContact O-N 3.12Å; D496-H501 CarbonylContact C-O 3.1Å; D496-H501 VanDerWaalsContact C-O 3.25Å; D496-H501 HydrophobicContact CB-CB 4.19Å; D496-H501 WeakPolarHBondContact CB-O 3.37Å; D496-H501 PolarHBondContact O-N 3.28Å; D496-L503 WeakPolarHBondContact OD2-CD1 3.33Å
497	I	47.4	Very low	41.8	Very low	81 Å²	81	98.3 Å²	98.3	42%	0.415	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-41.9	177.4	-60.7	175.6	0	0	0	111	S493 L494 G500	S493-I497 PolarHBondContact O-N 2.92Å; L494-I497 PolarHBondContact O-N 2.94Å; I497-G500 PolarHBondContact O-N 2.98Å
498	I	43	Very low	42.2	Very low	109 Å²	109	93.2 Å²	93.2	56%	0.559	52%	0.52	S	S	*	.	H	α-helix	trans	-65.2	-41.9	178.9	-70.3	165.2	0	0	0	111.2	L494 D495 D496 G500	L494-I498 HydrophobicContact CD2-CD1 4.43Å; L494-I498 HydrophobicContact CG-CD1 4.47Å; L494-I498 WeakPolarHBondContact O-CD1 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 2.9Å; L494-I498 PolarHBondContact O-N 2.99Å; L494-I498 VanDerWaalsContact O-N 3.16Å; D495-I498 PolarHBondContact O-N 2.96Å; D496-I498 VanDerWaalsContact C-N 3.32Å; D496-I498 PolarHBondContact O-N 3.24Å; I498-G500 PolarHBondContact O-N 2.89Å
499	N	46.3	Very low	42.5	Very low	101 Å²	101	92.3 Å²	92.3	54%	0.54	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.2	178.6	-68.3	-60.1	0	0	0	113.7	D495 D496 H501	D495-N499 WeakPolarHBondContact O-CB 3.39Å; D495-N499 PolarHBondContact O-N 2.95Å; D495-N499 PolarHBondContact O-ND2 2.87Å; D496-N499 CarbonylContact O-C 3.49Å; D496-N499 PolarHBondContact O-N 3.48Å; N499-H501 PolarHBondContact O-N 3.18Å
500	G	43.7	Very low	42.6	Very low	28 Å²	28	90.3 Å²	90.3	29%	0.289	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	11.9	-177.2	0	0	0	0	0	114.3	D496 I497 I498	D496-G500 PolarHBondContact O-N 3.04Å; D496-G500 VanDerWaalsContact O-N 3.12Å; I497-G500 PolarHBondContact O-N 2.98Å; I498-G500 PolarHBondContact O-N 2.89Å
501	H	40.5	Very low	42.4	Very low	90 Å²	90	96 Å²	96	42%	0.417	52%	0.524	S	S	.	.			trans	-81.5	123	172.2	-72.2	-69.6	0	0	0	109.8	D496 N499	D496-H501 CarbonylContact C-O 3.1Å; D496-H501 VanDerWaalsContact C-O 3.25Å; D496-H501 HydrophobicContact CB-CB 4.19Å; D496-H501 WeakPolarHBondContact CB-O 3.37Å; D496-H501 PolarHBondContact O-N 3.28Å; N499-H501 PolarHBondContact O-N 3.18Å
502	C	44.3	Very low	42.4	Very low	23 Å²	23	96.4 Å²	96.4	16%	0.155	52%	0.521	C	S	.	.			trans	-106.6	113.1	165.5	178.1	0	0	0	0	108.1	A504 C505 E506	C502-A504 PolarHBondContact O-N 2.79Å; C502-A504 VanDerWaalsContact O-N 3.09Å; C502-C505 HydrophobicContact CB-CB 3.92Å; C502-C505 PolarHBondContact O-N 2.94Å; C502-E506 PolarHBondContact O-N 3.36Å
503	L	44.7	Very low	42.3	Very low	115 Å²	115	96.2 Å²	96.2	60%	0.602	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.9	175.4	-70.9	170.4	0	0	0	112.2	D496	D496-L503 WeakPolarHBondContact OD2-CD1 3.33Å
504	A	42.2	Very low	42.2	Very low	64 Å²	64	98.8 Å²	98.8	53%	0.529	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.9	178.5	0	0	0	0	0	115.1	C502	C502-A504 PolarHBondContact O-N 2.79Å; C502-A504 VanDerWaalsContact O-N 3.09Å
505	C	44.5	Very low	42	Very low	34 Å²	34	99.5 Å²	99.5	23%	0.23	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-17.5	178.1	-64.8	0	0	0	0	114	C502 K507	C502-C505 HydrophobicContact CB-CB 3.92Å; C502-C505 PolarHBondContact O-N 2.94Å; C505-K507 WeakPolarHBondContact O-CG 3.19Å; C505-K507 PolarHBondContact O-N 3.37Å
506	E	47.1	Very low	41.7	Very low	191 Å²	191	99.3 Å²	99.3	89%	0.893	54%	0.542	S	S	*	.			trans	48.4	8.8	-173.7	-70.6	-167.6	153.2	0	0	116.2	C502	C502-E506 PolarHBondContact O-N 3.36Å
507	K	35.9	Very low	41.6	Very low	165 Å²	165	103 Å²	103	72%	0.717	56%	0.563	S	S	*	*			trans	-106.5	116	-179.3	-73	176.1	-177.9	-179.6	0	108.7	C505	C505-K507 WeakPolarHBondContact O-CG 3.19Å; C505-K507 PolarHBondContact O-N 3.37Å
508	S	37.9	Very low	41.2	Very low	81 Å²	81	104.6 Å²	104.6	57%	0.566	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.1	153.2	158.4	52.6	0	0	0	0	110.1
509	P	37.4	Very low	41	Very low	70 Å²	70	104.2 Å²	104.2	46%	0.455	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-54.8	145.7	166.9	24.3	-33.2	0	0	0	110.1
510	P	34	Very low	40.6	Very low	129 Å²	129	104.5 Å²	104.5	84%	0.838	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.1	139	173.4	27.8	-33.5	0	0	0	110.4
511	E	35.3	Very low	40.3	Very low	264 Å²	264	111.5 Å²	111.5	100%	1.234	60%	0.603	S	S	*	*			trans	-61.7	0	177	-65.1	-175.8	135.6	0	0	113.9

Retrieved 511 of 511 residues in 64.8 ms (Link to these results)

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