A0A3Q0KQC1_SCHMA Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 720 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	34	Very low	185 Å²	185	142.2 Å²	142.2	91%	0.911	70%	0.697	S	S	*	*				0	-32.1	0	-87.2	-70.5	-177.3	0	0	112.3	S3	M1-S3 PolarHBondContact O-N 3.08Å
2	D	27.3	Very low	33.7	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	69%	0.69	S	S	*	*			trans	-77.3	-8.4	-165.1	-54.7	-87.9	0	0	0	116.8	Y4	D2-Y4 PolarHBondContact O-N 3.07Å
3	S	31.7	Very low	33.5	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	67%	0.671	S	S	*	*			trans	-92.5	49.1	-178.6	51.5	0	0	0	0	114.2	M1 N5 R11	M1-S3 PolarHBondContact O-N 3.08Å; S3-N5 PolarHBondContact O-N 3.05Å; S3-R11 PolarHBondContact O-NH1 3.42Å
4	Y	29.6	Very low	33.5	Very low	161 Å²	161	135.9 Å²	135.9	63%	0.631	66%	0.664	S	S	*	*			trans	-72.1	87.2	171.3	-105.4	-87.8	0	0	0	111.2	D2	D2-Y4 PolarHBondContact O-N 3.07Å
5	N	33.4	Very low	33.6	Very low	110 Å²	110	130.9 Å²	130.9	59%	0.588	64%	0.64	S	S	*	*			trans	-83.5	119.7	161.6	-78.7	-4.8	0	0	0	108.8	S3 H7	S3-N5 PolarHBondContact O-N 3.05Å; N5-H7 PolarHBondContact O-N 3.48Å
6	E	38.8	Very low	33.7	Very low	175 Å²	175	128 Å²	128	82%	0.818	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	25.4	-175.9	-57.5	-171.4	122.5	0	0	114.4
7	H	41.8	Very low	33.7	Very low	174 Å²	174	123.5 Å²	123.5	81%	0.806	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	1.2	-167.4	-72.7	-11.3	0	0	0	115.9	N5	N5-H7 PolarHBondContact O-N 3.48Å
8	D	35.8	Very low	33.8	Very low	90 Å²	90	123.1 Å²	123.1	48%	0.481	60%	0.602	S	S	.	*			trans	-113.8	102.3	171	-71.8	-46.3	0	0	0	110.7	Q10 R11	D8-Q10 PolarHBondContact O-N 3.11Å; D8-Q10 VanDerWaalsContact O-N 3.15Å; D8-R11 HydrophobicContact CB-CG 4.01Å; D8-R11 IonicContact OD2-CZ 3.64Å; D8-R11 VanDerWaalsContact OD2-CZ 3.29Å; D8-R11 IonicContact OD2-NE 3.17Å; D8-R11 PolarHBondContact OD2-NE 3.23Å; D8-R11 VanDerWaalsContact OD2-NE 3.08Å; D8-R11 IonicContact OD2-NH2 2.99Å; D8-R11 PolarHBondContact OD2-NH2 2.79Å
9	D	36.2	Very low	33.8	Very low	168 Å²	168	123.1 Å²	123.1	90%	0.898	60%	0.599	S	S	*	*	S	Bend	trans	-71.3	0.7	174.2	-67.4	-39	0	0	0	113.3
10	Q	35.7	Very low	33.9	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	61%	0.61	S	S	*	*			trans	-135.6	95.6	-177.8	-68.4	-177	-19.6	0	0	110.1	D8	D8-Q10 PolarHBondContact O-N 3.11Å; D8-Q10 VanDerWaalsContact O-N 3.15Å
11	R	30.1	Very low	33.9	Very low	107 Å²	107	126.7 Å²	126.7	40%	0.404	61%	0.614	S	S	.	*			trans	-133.4	114.2	166.4	-68.3	-171.5	173.4	-155.7	-4	109.3	S3 D8	S3-R11 PolarHBondContact O-NH1 3.42Å; D8-R11 HydrophobicContact CB-CG 4.01Å; D8-R11 IonicContact OD2-CZ 3.64Å; D8-R11 VanDerWaalsContact OD2-CZ 3.29Å; D8-R11 IonicContact OD2-NE 3.17Å; D8-R11 PolarHBondContact OD2-NE 3.23Å; D8-R11 VanDerWaalsContact OD2-NE 3.08Å; D8-R11 IonicContact OD2-NH2 2.99Å; D8-R11 PolarHBondContact OD2-NH2 2.79Å
12	E	30.1	Very low	33.9	Very low	131 Å²	131	124.9 Å²	124.9	61%	0.612	61%	0.608	S	S	*	*			trans	-77.5	131.2	170.3	-72.4	163.2	-174.1	0	0	108.4	T40 H42	E12-T40 HydrophobicContact CB-CG2 4.23Å; E12-T40 HydrophobicContact CG-CG2 4.19Å; E12-H42 IonicContact OE1-CE1 2.65Å; E12-H42 PolarHBondContact OE1-CE1 2.92Å; E12-H42 IonicContact OE1-ND1 3.73Å
13	L	31.7	Very low	34.3	Very low	85 Å²	85	126.3 Å²	126.3	45%	0.445	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.9	108.4	165.3	-85.7	162.8	0	0	0	107.4	A41	L13-A41 HydrophobicContact CB-CB 4.37Å; L13-A41 PolarHBondContact N-O 3.43Å; L13-A41 PolarHBondContact O-N 3.23Å; L13-A41 VanDerWaalsContact O-N 3.11Å
14	E	33	Very low	34.6	Very low	123 Å²	123	130.5 Å²	130.5	58%	0.575	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.3	114.7	166.2	-172.5	176.8	-150.7	0	0	108.8	I16 I39	E14-I16 HydrophobicContact CG-CG1 3.98Å; E14-I39 WeakPolarHBondContact CA-O 3.21Å
15	I	34.4	Very low	34.8	Very low	60 Å²	60	130.9 Å²	130.9	31%	0.308	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.1	116	170.9	-57.9	177.9	0	0	0	107.5	I17 S38 I39 L103	I15-I17 HydrophobicContact CG2-CG1 4.25Å; I15-S38 WeakPolarHBondContact O-CA 3.48Å; I15-I39 HydrophobicContact CB-CB 4.45Å; I15-I39 PolarHBondContact N-O 3.41Å; I15-I39 VanDerWaalsContact N-O 3.13Å; I15-I39 PolarHBondContact O-N 2.85Å; I15-L103 HydrophobicContact CD1-CD2 4.06Å
16	I	35.9	Very low	34.9	Very low	85 Å²	85	128.6 Å²	128.6	44%	0.436	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	125.8	177.9	-59.2	177.6	0	0	0	108.8	E14 L35	E14-I16 HydrophobicContact CG-CG1 3.98Å; I16-L35 HydrophobicContact CG2-CD2 3.48Å; I16-L35 VanDerWaalsContact CG2-CD2 3.48Å
17	I	33.8	Very low	34.9	Very low	52 Å²	52	125.3 Å²	125.3	27%	0.267	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	126.5	179.5	-55.5	172.2	0	0	0	109.4	I15 V36 I99	I15-I17 HydrophobicContact CG2-CG1 4.25Å; I17-V36 PolarHBondContact O-N 3.38Å; I17-I99 HydrophobicContact CD1-CD1 3.49Å; I17-I99 VanDerWaalsContact CD1-CD1 3.49Å; I17-I99 HydrophobicContact CD1-CG1 3.49Å; I17-I99 VanDerWaalsContact CD1-CG1 3.49Å
18	H	34.8	Very low	34.3	Very low	115 Å²	115	125.1 Å²	125.1	53%	0.532	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.6	112.3	176.8	-68.9	-61.5	0	0	0	110	Q20	H18-Q20 PolarHBondContact O-N 3.29Å; H18-Q20 VanDerWaalsContact O-N 3.16Å
19	K	34.9	Very low	34.3	Very low	123 Å²	123	125.9 Å²	125.9	54%	0.535	65%	0.645	S	S	.	*			trans	-72.5	102.9	170	-172.6	173.2	-179.5	176.6	0	108.5	E21 V36	K19-E21 PolarHBondContact O-N 2.86Å; K19-V36 HydrophobicContact CB-CB 4.36Å; K19-V36 HydrophobicContact CB-CG2 3.63Å; K19-V36 HydrophobicContact CD-CG2 4.02Å; K19-V36 HydrophobicContact CG-CG2 4.49Å
20	Q	36.2	Very low	33.9	Very low	175 Å²	175	127.2 Å²	127.2	82%	0.818	65%	0.645	S	S	*	*			trans	-81.3	101.6	168.9	-76	-161.4	-87	0	0	109.5	H18 N22	H18-Q20 PolarHBondContact O-N 3.29Å; H18-Q20 VanDerWaalsContact O-N 3.16Å; Q20-N22 PolarHBondContact O-N 2.97Å
21	E	33.3	Very low	33.6	Very low	148 Å²	148	123.1 Å²	123.1	69%	0.692	64%	0.636	S	S	*	*			trans	-73	122.7	164.1	-62	-166.4	147.7	0	0	109.6	K19 Q23	K19-E21 PolarHBondContact O-N 2.86Å; E21-Q23 PolarHBondContact O-N 3.48Å; E21-Q23 VanDerWaalsContact O-N 3.17Å
22	N	34.1	Very low	33.5	Very low	147 Å²	147	126.5 Å²	126.5	79%	0.786	65%	0.653	S	S	*	*			trans	-74.4	104	171.6	-72.3	-43.2	0	0	0	108.5	Q20 H24	Q20-N22 PolarHBondContact O-N 2.97Å; N22-H24 PolarHBondContact O-N 3.19Å; N22-H24 VanDerWaalsContact O-N 3.09Å
23	Q	34.9	Very low	33.5	Very low	154 Å²	154	125.2 Å²	125.2	72%	0.72	66%	0.656	S	S	*	*			trans	-61.1	111.5	172.2	-69.5	-173.2	-37	0	0	109.8	E21	E21-Q23 PolarHBondContact O-N 3.48Å; E21-Q23 VanDerWaalsContact O-N 3.17Å
24	H	38.3	Very low	33.3	Very low	175 Å²	175	128.9 Å²	128.9	81%	0.81	67%	0.671	S	S	*	*			trans	-74.3	147.4	162.9	-96.6	-71	0	0	0	110	N22 G26	N22-H24 PolarHBondContact O-N 3.19Å; N22-H24 VanDerWaalsContact O-N 3.09Å; H24-G26 PolarHBondContact O-N 3.46Å; H24-G26 VanDerWaalsContact O-N 3.13Å
25	D	33.4	Very low	33.3	Very low	170 Å²	170	127 Å²	127	91%	0.909	67%	0.665	S	S	*	*	S	Bend	trans	-59.1	111.7	-172.3	-56	-86	0	0	0	113.7
26	G	36.1	Very low	33.3	Very low	62 Å²	62	125.9 Å²	125.9	64%	0.639	66%	0.661	S	S	*	*			trans	172.8	95.2	174	0	0	0	0	0	115.9	H24	H24-G26 PolarHBondContact O-N 3.46Å; H24-G26 VanDerWaalsContact O-N 3.13Å
27	S	38.7	Very low	33.1	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	64%	0.643	S	S	*	*			trans	52.3	99.5	160.2	55.4	0	0	0	0	119.3	T29	S27-T29 PolarHBondContact O-N 2.87Å
28	D	28.7	Very low	33	Very low	170 Å²	170	120.7 Å²	120.7	91%	0.909	64%	0.636	S	S	*	*			trans	45.5	57.7	132	-59.2	-25.3	0	0	0	119.8
29	T	35.7	Very low	33.1	Very low	106 Å²	106	115.9 Å²	115.9	65%	0.65	61%	0.614	S	S	*	*			trans	-129.8	131.2	153.8	48.3	0	0	0	0	112.4	S27 C31	S27-T29 PolarHBondContact O-N 2.87Å; T29-C31 PolarHBondContact O-N 3.21Å
30	Q	28.9	Very low	33.1	Very low	195 Å²	195	111.4 Å²	111.4	91%	0.911	60%	0.597	S	S	*	*			trans	-91.8	65.1	-172.6	-165.5	-179.9	12.9	0	0	111.8	K32	Q30-K32 PolarHBondContact O-N 3.11Å
31	C	27.9	Very low	32.9	Very low	96 Å²	96	103.7 Å²	103.7	65%	0.649	56%	0.564	S	S	*	*			trans	-65.8	130.5	175.8	-63.7	0	0	0	0	111.1	T29	T29-C31 PolarHBondContact O-N 3.21Å
32	K	29.1	Very low	32.9	Very low	179 Å²	179	102.1 Å²	102.1	78%	0.778	56%	0.556	S	S	*	*			trans	-83.9	152	170.6	-68	173.4	-177.9	169.6	0	109	Q30 E34	Q30-K32 PolarHBondContact O-N 3.11Å; K32-E34 PolarHBondContact O-N 3.21Å
33	P	29.1	Very low	33	Very low	103 Å²	103	100.1 Å²	100.1	67%	0.669	54%	0.542	S	S	*	.			trans	-65.7	115.9	169	28.1	-33.3	0	0	0	109.5
34	E	29	Very low	32.8	Very low	163 Å²	163	98.9 Å²	98.9	76%	0.762	54%	0.54	S	S	*	.			trans	-77.3	151.2	168.3	-64.5	-164.3	127.6	0	0	110.5	K32	K32-E34 PolarHBondContact O-N 3.21Å
35	L	31.3	Very low	32.5	Very low	83 Å²	83	95.7 Å²	95.7	44%	0.435	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.1	-179.7	-76.5	159.2	0	0	0	108.8	I16 S37 S65	I16-L35 HydrophobicContact CG2-CD2 3.48Å; I16-L35 VanDerWaalsContact CG2-CD2 3.48Å; L35-S37 PolarHBondContact O-N 2.88Å; L35-S65 WeakPolarHBondContact O-CB 3.2Å
36	V	35	Very low	32.4	Very low	37 Å²	37	90.7 Å²	90.7	22%	0.224	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	83.9	-179.3	-175.6	0	0	0	0	108.7	I17 K19 E95	I17-V36 PolarHBondContact O-N 3.38Å; K19-V36 HydrophobicContact CB-CB 4.36Å; K19-V36 HydrophobicContact CB-CG2 3.63Å; K19-V36 HydrophobicContact CD-CG2 4.02Å; K19-V36 HydrophobicContact CG-CG2 4.49Å; V36-E95 VanDerWaalsContact CG1-OE1 3.22Å; V36-E95 WeakPolarHBondContact CG1-OE1 3.27Å
37	S	31.5	Very low	32.1	Very low	10 Å²	10	93.6 Å²	93.6	7%	0.07	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.5	153.9	-176.2	80.1	0	0	0	0	116.7	L35 I63	L35-S37 PolarHBondContact O-N 2.88Å; S37-I63 VanDerWaalsContact CA-O 3.28Å; S37-I63 WeakPolarHBondContact CA-O 3.35Å
38	S	33	Very low	31.9	Very low	18 Å²	18	98.1 Å²	98.1	13%	0.126	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.4	154.9	72.1	0	0	0	0	110.8	I15 I63	I15-S38 WeakPolarHBondContact O-CA 3.48Å; S38-I63 PolarHBondContact N-O 3.45Å; S38-I63 PolarHBondContact O-N 3.04Å; S38-I63 VanDerWaalsContact O-N 3.15Å
39	I	36	Very low	32.1	Very low	13 Å²	13	98.3 Å²	98.3	7%	0.067	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.3	172.1	-68.1	169.9	0	0	0	107.8	E14 I15 V60 L62 I99	E14-I39 WeakPolarHBondContact CA-O 3.21Å; I15-I39 HydrophobicContact CB-CB 4.45Å; I15-I39 PolarHBondContact N-O 3.41Å; I15-I39 VanDerWaalsContact N-O 3.13Å; I15-I39 PolarHBondContact O-N 2.85Å; I39-V60 HydrophobicContact CG2-CG1 3.96Å; I39-L62 HydrophobicContact CD1-CD2 4.32Å; I39-L62 HydrophobicContact CG1-CD2 3.95Å; I39-I99 HydrophobicContact CD1-CD1 4.11Å; I39-I99 HydrophobicContact CD1-CG2 3.75Å
40	T	35.3	Very low	32.1	Very low	29 Å²	29	97.5 Å²	97.5	18%	0.178	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.5	170.2	-45.6	0	0	0	0	109.1	E12	E12-T40 HydrophobicContact CB-CG2 4.23Å; E12-T40 HydrophobicContact CG-CG2 4.19Å
41	A	32.8	Very low	32.7	Very low	14 Å²	14	97.8 Å²	97.8	12%	0.116	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.4	176.1	0	0	0	0	0	111.1	L13 H43	L13-A41 HydrophobicContact CB-CB 4.37Å; L13-A41 PolarHBondContact N-O 3.43Å; L13-A41 PolarHBondContact O-N 3.23Å; L13-A41 VanDerWaalsContact O-N 3.11Å; A41-H43 PolarHBondContact O-N 3.48Å
42	H	33.2	Very low	33.3	Very low	114 Å²	114	98.2 Å²	98.2	53%	0.528	51%	0.505	S	S	.	.			trans	-75.1	120.9	171.4	-70.9	-68.7	0	0	0	110.6	E12 N44	E12-H42 IonicContact OE1-CE1 2.65Å; E12-H42 PolarHBondContact OE1-CE1 2.92Å; E12-H42 IonicContact OE1-ND1 3.73Å; H42-N44 PolarHBondContact O-N 2.65Å
43	H	35.5	Very low	34.1	Very low	105 Å²	105	96 Å²	96	49%	0.486	50%	0.502	S	S	.	.			trans	-74.6	116.7	-171.4	-134.5	-1.2	0	0	0	112	A41 I45	A41-H43 PolarHBondContact O-N 3.48Å; H43-I45 WeakPolarHBondContact ND1-CG1 3.43Å
44	N	30	Very low	34.7	Very low	128 Å²	128	95 Å²	95	68%	0.684	49%	0.488	S	S	*	.			trans	-122	69.4	172.4	-149.6	-22.6	0	0	0	109.1	H42 A46	H42-N44 PolarHBondContact O-N 2.65Å; N44-A46 PolarHBondContact O-N 3.39Å
45	I	33.3	Very low	35.5	Very low	108 Å²	108	90.6 Å²	90.6	55%	0.554	47%	0.469	S	S	*	.			trans	-70.6	92.9	-175.8	-49.3	177.7	0	0	0	110.3	H43	H43-I45 WeakPolarHBondContact ND1-CG1 3.43Å
46	A	29.5	Very low	36.2	Very low	65 Å²	65	89.8 Å²	89.8	54%	0.537	47%	0.467	S	S	.	.			trans	-143.8	112.6	166.2	0	0	0	0	0	108.4	N44	N44-A46 PolarHBondContact O-N 3.39Å
47	N	31.4	Very low	36.9	Very low	124 Å²	124	90.6 Å²	90.6	66%	0.663	47%	0.468	S	S	*	.			cis	-138	154.5	15.1	-68.2	-49.9	0	0	0	113.4	Q49	N47-Q49 HydrophobicContact CB-CB 4.24Å; N47-Q49 PolarHBondContact O-N 2.95Å
48	K	34	Very low	37.6	Very low	200 Å²	200	94.7 Å²	94.7	87%	0.87	49%	0.485	S	S	*	.	S	Bend	trans	-69.1	62.9	146.2	-79.8	177.5	171	168.1	0	109.7
49	Q	33.1	Very low	38.2	Very low	174 Å²	174	98.7 Å²	98.7	81%	0.813	50%	0.504	S	S	*	.			trans	-178.2	73.4	172.5	-106.7	158.9	24.7	0	0	111.5	N47	N47-Q49 HydrophobicContact CB-CB 4.24Å; N47-Q49 PolarHBondContact O-N 2.95Å
50	T	35.5	Very low	38.5	Very low	89 Å²	89	98.4 Å²	98.4	55%	0.546	50%	0.503	S	S	.	.			trans	-123	149.9	147.4	46	0	0	0	0	106.7	D52	T50-D52 VanDerWaalsContact C-N 3.25Å; T50-D52 PolarHBondContact OG1-O 2.9Å
51	E	40.8	Very low	39	Very low	202 Å²	202	104 Å²	104	94%	0.944	53%	0.525	S	S	*	.	S	Bend	trans	-82.8	-12.7	175.4	-64.1	-177.9	139.8	0	0	111.3
52	D	41	Very low	39.3	Very low	104 Å²	104	106 Å²	106	56%	0.556	53%	0.534	S	S	*	.	S	Bend	trans	-95.4	136.5	173.4	-44.2	-88	0	0	0	111.1	T50 E54	T50-D52 VanDerWaalsContact C-N 3.25Å; T50-D52 PolarHBondContact OG1-O 2.9Å; D52-E54 VanDerWaalsContact C-N 3.25Å; D52-E54 HydrophobicContact CB-CG 4.17Å; D52-E54 PolarHBondContact O-N 2.84Å
53	D	45.1	Very low	39.5	Very low	134 Å²	134	102.8 Å²	102.8	72%	0.717	52%	0.52	S	S	*	.			trans	-73.4	67.9	178.5	-78.7	-60.5	0	0	0	112	G175 Y176	D53-G175 WeakPolarHBondContact O-CA 3.37Å; D53-Y176 PolarHBondContact O-N 3.15Å; D53-Y176 VanDerWaalsContact O-N 3.07Å
54	E	41.8	Very low	39.4	Very low	80 Å²	80	101.1 Å²	101.1	37%	0.374	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.1	179.5	-60.3	-165.5	158.8	0	0	113.2	D52 V173 I174	D52-E54 VanDerWaalsContact C-N 3.25Å; D52-E54 HydrophobicContact CB-CG 4.17Å; D52-E54 PolarHBondContact O-N 2.84Å; E54-V173 HydrophobicContact CB-CG1 4.27Å; E54-V173 HydrophobicContact CG-CG1 4.49Å; E54-I174 WeakPolarHBondContact CA-O 3.15Å
55	I	47.4	Very low	39.5	Very low	72 Å²	72	97.8 Å²	97.8	37%	0.369	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131	169.6	-60.1	-173.8	0	0	0	108.7	F57 M107 V173 I174	I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE2 3.78Å; I55-F57 HydrophobicContact CG2-CZ 4.04Å; I55-M107 HydrophobicContact CD1-CE 3.56Å; I55-M107 HydrophobicContact CD1-SD 3.93Å; I55-M107 HydrophobicContact CG1-CE 4.31Å; I55-V173 WeakPolarHBondContact O-CA 3.48Å; I55-I174 PolarHBondContact N-O 2.98Å; I55-I174 PolarHBondContact O-N 3.47Å
56	V	45	Very low	39.5	Very low	65 Å²	65	97.7 Å²	97.7	39%	0.394	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.6	-178.3	-173.1	0	0	0	0	110.7	K58 Q171 I172 V173	V56-K58 HydrophobicContact CG1-CG 4.1Å; V56-Q171 HydrophobicContact CG1-CG 3.61Å; V56-I172 CarbonylContact C-O 3.59Å; V56-I172 WeakPolarHBondContact CA-O 3.24Å; V56-V173 HydrophobicContact CG1-CG2 4.32Å; V56-V173 HydrophobicContact CG2-CG1 4.27Å; V56-V173 HydrophobicContact CG2-CG2 4.22Å
57	F	49.2	Very low	39.8	Very low	55 Å²	55	100.2 Å²	100.2	24%	0.241	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.1	165.2	-57.5	-89.6	0	0	0	109.4	I55 V60 Q171 I172 I174	I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE2 3.78Å; I55-F57 HydrophobicContact CG2-CZ 4.04Å; F57-V60 HydrophobicContact CB-CG2 3.87Å; F57-Q171 WeakPolarHBondContact O-CA 3.28Å; F57-Q171 WeakPolarHBondContact O-CG 3.33Å; F57-I172 HydrophobicContact CB-CB 4.28Å; F57-I172 HydrophobicContact CD2-CB 4.41Å; F57-I172 PolarHBondContact N-O 3.19Å; F57-I172 PolarHBondContact O-N 3.48Å; F57-I174 HydrophobicContact CE2-CD1 4.09Å
58	K	46.8	Very low	39.8	Very low	96 Å²	96	99.9 Å²	99.9	42%	0.417	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.9	177.6	-66	-178	-180	173	0	110.4	V56 K170 Q171	V56-K58 HydrophobicContact CG1-CG 4.1Å; K58-K170 VanDerWaalsContact CA-O 3.27Å; K58-K170 WeakPolarHBondContact CA-O 3.48Å; K58-Q171 HydrophobicContact CG-CG 4.28Å
59	N	44.9	Very low	39.7	Very low	101 Å²	101	99.8 Å²	99.8	54%	0.54	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	54.1	178.9	-53	8.9	0	0	0	111.7	K61 K170	N59-K61 PolarHBondContact O-N 3.44Å; N59-K170 PolarHBondContact N-O 2.82Å
60	V	43.4	Very low	39.5	Very low	7 Å²	7	96.2 Å²	96.2	4%	0.042	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	105.8	-177.9	-179.7	0	0	0	0	108.6	I39 F57 I169 I172	I39-V60 HydrophobicContact CG2-CG1 3.96Å; F57-V60 HydrophobicContact CB-CG2 3.87Å; V60-I169 HydrophobicContact CB-CB 4.16Å; V60-I169 HydrophobicContact CB-CG2 4.14Å; V60-I169 PolarHBondContact N-O 3.08Å; V60-I172 HydrophobicContact CG1-CD1 4.41Å; V60-I172 HydrophobicContact CG2-CD1 4.13Å; V60-I172 HydrophobicContact CG2-CG1 4.33Å
61	K	44.4	Very low	39.1	Very low	148 Å²	148	100.9 Å²	100.9	64%	0.643	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.7	175.6	-170.3	168	-175.9	175.8	0	110.6	N59 I63	N59-K61 PolarHBondContact O-N 3.44Å; K61-I63 HydrophobicContact CG-CG1 4.47Å
62	L	39.5	Very low	38.5	Very low	55 Å²	55	96.5 Å²	96.5	29%	0.288	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.8	164.3	-67.9	167	0	0	0	109.1	I39 L96 I169	I39-L62 HydrophobicContact CD1-CD2 4.32Å; I39-L62 HydrophobicContact CG1-CD2 3.95Å; L62-L96 HydrophobicContact CD1-CD1 4.01Å; L62-L96 HydrophobicContact CD1-CD2 4.07Å; L62-L96 HydrophobicContact CD1-CG 4.11Å; L62-L96 HydrophobicContact CD2-CD2 4.12Å; L62-L96 HydrophobicContact CG-CD2 4.45Å; L62-I169 HydrophobicContact CD1-CD1 4.43Å
63	I	37.8	Very low	37.7	Very low	46 Å²	46	97.7 Å²	97.7	24%	0.236	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.1	172.9	-57.9	174.3	0	0	0	108	S37 S38 K61	S37-I63 VanDerWaalsContact CA-O 3.28Å; S37-I63 WeakPolarHBondContact CA-O 3.35Å; S38-I63 PolarHBondContact N-O 3.45Å; S38-I63 PolarHBondContact O-N 3.04Å; S38-I63 VanDerWaalsContact O-N 3.15Å; K61-I63 HydrophobicContact CG-CG1 4.47Å
64	N	33	Very low	36.9	Very low	71 Å²	71	98.7 Å²	98.7	38%	0.38	53%	0.526	S	S	.	.			trans	-76.3	139.8	173.1	-74.8	3.6	0	0	0	109.8	T66 D67	N64-T66 PolarHBondContact O-N 3.07Å; N64-D67 PolarHBondContact O-N 3.41Å; N64-D67 VanDerWaalsContact O-N 3.15Å
65	S	33	Very low	36.2	Very low	58 Å²	58	102.5 Å²	102.5	41%	0.406	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.3	-173.8	-171	0	0	0	0	114.4	L35 D67	L35-S65 WeakPolarHBondContact O-CB 3.2Å; S65-D67 VanDerWaalsContact C-N 3.29Å
66	T	34	Very low	35.6	Very low	105 Å²	105	104.8 Å²	104.8	64%	0.644	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-32.8	168.9	43.3	0	0	0	0	112.9	N64	N64-T66 PolarHBondContact O-N 3.07Å
67	D	35	Very low	35	Very low	118 Å²	118	110 Å²	110	63%	0.631	59%	0.592	S	S	*	*	S	Bend	trans	-89.7	-12.8	-160	-59.3	-2.4	0	0	0	112.8	N64 S65 K69	N64-D67 PolarHBondContact O-N 3.41Å; N64-D67 VanDerWaalsContact O-N 3.15Å; S65-D67 VanDerWaalsContact C-N 3.29Å; D67-K69 PolarHBondContact O-N 2.89Å
68	N	31.6	Very low	34.1	Very low	117 Å²	117	113.8 Å²	113.8	63%	0.626	61%	0.614	S	S	*	*			trans	-77.6	21.2	-179.4	-79.1	-33.9	0	0	0	114.4	S70	N68-S70 PolarHBondContact O-N 2.97Å; N68-S70 VanDerWaalsContact O-N 3.08Å
69	K	30.7	Very low	33.4	Very low	199 Å²	199	117 Å²	117	87%	0.865	64%	0.636	S	S	*	*			trans	-86.9	45.6	-179.4	-141.7	171	-168.1	172.4	0	113	D67 H71	D67-K69 PolarHBondContact O-N 2.89Å; K69-H71 PolarHBondContact O-N 3.18Å
70	S	30.5	Very low	32.6	Very low	98 Å²	98	118.7 Å²	118.7	69%	0.685	65%	0.65	S	S	*	*			trans	-74.9	106.4	-175.7	59.5	0	0	0	0	113.2	N68	N68-S70 PolarHBondContact O-N 2.97Å; N68-S70 VanDerWaalsContact O-N 3.08Å
71	H	26.2	Very low	32	Very low	188 Å²	188	123 Å²	123	87%	0.87	69%	0.686	S	S	*	*			trans	47	90.5	155.7	-61.2	-68.9	0	0	0	119.5	K69	K69-H71 PolarHBondContact O-N 3.18Å
72	S	27.7	Very low	31.1	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	70%	0.696	S	S	*	*			trans	-149.3	123.2	136.9	59	0	0	0	0	111.5
73	P	24.5	Very low	30.5	Very low	130 Å²	130	124 Å²	124	84%	0.844	72%	0.723	S	S	*	*			trans	-95.5	110	175.2	33.4	-28.4	0	0	0	110.7
74	I	29.4	Very low	30.1	Very low	155 Å²	155	127.8 Å²	127.8	80%	0.795	75%	0.748	S	S	*	*			trans	-139.2	134.7	167.2	-60.3	-176.8	0	0	0	108.6
75	D	26.5	Very low	29.8	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	77%	0.765	S	S	*	*			trans	-84.1	131.5	-170.5	-36.6	-98.3	0	0	0	113.3
76	S	34.5	Very low	29.5	Very low	119 Å²	119	133.2 Å²	133.2	83%	0.832	77%	0.774	S	S	*	*			trans	-164.5	124.3	149.8	59.2	0	0	0	0	110.8
77	E	33.3	Very low	29.2	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	78%	0.776	S	S	*	*			trans	-86	152	180	-56.1	171.6	131.8	0	0	112.1
78	N	30.5	Very low	29.1	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	78%	0.777	S	S	*	*			trans	69.8	143	171.3	-42.7	-59.3	0	0	0	114.4
79	D	31.1	Very low	29.2	Very low	163 Å²	163	135.3 Å²	135.3	87%	0.872	78%	0.777	S	S	*	*			cis	-121.7	160.8	27.9	-74.3	-48.9	0	0	0	115.8
80	T	27.5	Very low	29.3	Very low	137 Å²	137	135.6 Å²	135.6	84%	0.84	77%	0.774	S	S	*	*			trans	-93.7	125	-179.1	52.7	0	0	0	0	113.3
81	A	30.4	Very low	30.1	Very low	97 Å²	97	135 Å²	135	80%	0.802	76%	0.763	S	S	*	*			trans	-148.8	112.7	164.5	0	0	0	0	0	112.4
82	G	26.4	Very low	31.2	Very low	81 Å²	81	129.8 Å²	129.8	84%	0.835	74%	0.744	S	S	*	*			trans	36.4	80	156.7	0	0	0	0	0	119.8	T84	G82-T84 PolarHBondContact O-N 3.08Å
83	V	27.8	Very low	32	Very low	144 Å²	144	129.1 Å²	129.1	87%	0.873	73%	0.732	S	S	*	*			trans	-85.2	104	154.8	178.9	0	0	0	0	108.1
84	T	27.7	Very low	33.1	Very low	124 Å²	124	128.2 Å²	128.2	76%	0.761	72%	0.72	S	S	*	*			trans	-77.2	115.4	163.7	44.1	0	0	0	0	108.7	G82 C86	G82-T84 PolarHBondContact O-N 3.08Å; T84-C86 PolarHBondContact O-N 2.81Å
85	Q	27.4	Very low	34.2	Very low	155 Å²	155	124 Å²	124	72%	0.724	70%	0.697	S	S	*	*			trans	-71.3	118.9	174.4	-179.9	179.4	-31	0	0	109.5	D87	Q85-D87 PolarHBondContact NE2-OD1 3.29Å
86	C	27.6	Very low	35.3	Very low	88 Å²	88	117.2 Å²	117.2	60%	0.595	66%	0.661	S	S	*	*			trans	-102.2	125	167.2	-59.9	0	0	0	0	108.2	T84 D88	T84-C86 PolarHBondContact O-N 2.81Å; C86-D88 VanDerWaalsContact CB-OD2 3.23Å; C86-D88 WeakPolarHBondContact CB-OD2 3.26Å; C86-D88 PolarHBondContact O-N 2.7Å; C86-D88 VanDerWaalsContact O-N 3.09Å
87	D	27.4	Very low	36	Very low	127 Å²	127	116 Å²	116	68%	0.679	64%	0.641	S	S	*	*			trans	-87.8	53.5	-174.7	-59.9	-50.5	0	0	0	111.4	Q85 E89	Q85-D87 PolarHBondContact NE2-OD1 3.29Å; D87-E89 VanDerWaalsContact C-N 3.35Å; D87-E89 PolarHBondContact O-N 2.84Å
88	D	33.1	Very low	36.9	Very low	123 Å²	123	111.9 Å²	111.9	66%	0.658	62%	0.624	S	S	*	*			trans	-86.4	64.5	-170.5	-61.1	-33.4	0	0	0	112.4	C86 Y90	C86-D88 VanDerWaalsContact CB-OD2 3.23Å; C86-D88 WeakPolarHBondContact CB-OD2 3.26Å; C86-D88 PolarHBondContact O-N 2.7Å; C86-D88 VanDerWaalsContact O-N 3.09Å; D88-Y90 VanDerWaalsContact C-N 3.31Å; D88-Y90 PolarHBondContact O-N 3.05Å
89	E	33.5	Very low	37.9	Very low	134 Å²	134	106.4 Å²	106.4	63%	0.626	59%	0.594	S	S	*	*			trans	-86.7	17	-174.6	-152.2	175.2	-136.8	0	0	114.2	D87	D87-E89 VanDerWaalsContact C-N 3.35Å; D87-E89 PolarHBondContact O-N 2.84Å
90	Y	32.8	Very low	38.7	Very low	206 Å²	206	99 Å²	99	81%	0.808	56%	0.556	S	S	*	*	S	Bend	trans	-139.2	18.2	-162.8	-82.8	-86.5	0	0	0	118.1	D88	D88-Y90 VanDerWaalsContact C-N 3.31Å; D88-Y90 PolarHBondContact O-N 3.05Å
91	D	47.3	Very low	39.9	Very low	86 Å²	86	97 Å²	97	46%	0.46	54%	0.536	S	S	.	.			trans	-100.4	-24.3	-175.3	-78.5	-54.1	0	0	0	117	L93 D94 E95	D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 2.99Å; D91-D94 PolarHBondContact O-N 2.95Å; D91-E95 HydrophobicContact CB-CG 4.48Å; D91-E95 PolarHBondContact O-N 3.38Å
92	T	48.5	Very low	40.9	Very low	77 Å²	77	98 Å²	98	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-28.3	-164	57.8	0	0	0	0	115.6	L96	T92-L96 WeakPolarHBondContact O-CB 3.37Å; T92-L96 WeakPolarHBondContact O-CD1 3.42Å; T92-L96 VanDerWaalsContact O-CG 3.29Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.42Å; T92-L96 VanDerWaalsContact O-N 3.12Å
93	L	44.1	Very low	41.9	Very low	96 Å²	96	96.7 Å²	96.7	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-78	-35.5	176.2	-87.8	169.5	0	0	0	113.2	D91 L96 F97 M184	D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 2.99Å; L93-L96 HydrophobicContact CD2-CD1 4.24Å; L93-L96 WeakPolarHBondContact O-CB 3.12Å; L93-L96 PolarHBondContact O-N 2.78Å; L93-F97 WeakPolarHBondContact O-CD2 3.15Å; L93-F97 PolarHBondContact O-N 3.44Å; L93-M184 HydrophobicContact CD2-SD 4.49Å
94	D	49.2	Very low	42.7	Very low	111 Å²	111	91.9 Å²	91.9	59%	0.594	47%	0.471	S	S	*	.	H	α-helix	trans	-76.5	-34.8	176.7	-84.2	-22.3	0	0	0	110.7	D91 F97 D98	D91-D94 PolarHBondContact O-N 2.95Å; D94-F97 PolarHBondContact O-N 3.39Å; D94-D98 PolarHBondContact O-N 2.82Å
95	E	51	Low	43.3	Very low	66 Å²	66	93.2 Å²	93.2	31%	0.308	46%	0.464	S	S	.	.	H	α-helix	trans	-57	-48	166.1	-70.2	-169.4	147.9	0	0	111.4	V36 D91 F97 D98 I99	V36-E95 VanDerWaalsContact CG1-OE1 3.22Å; V36-E95 WeakPolarHBondContact CG1-OE1 3.27Å; D91-E95 HydrophobicContact CB-CG 4.48Å; D91-E95 PolarHBondContact O-N 3.38Å; E95-F97 VanDerWaalsContact C-N 3.33Å; E95-F97 PolarHBondContact O-N 3.42Å; E95-D98 PolarHBondContact O-N 3.48Å; E95-I99 WeakPolarHBondContact O-CB 3.31Å; E95-I99 WeakPolarHBondContact O-CD1 3.42Å; E95-I99 WeakPolarHBondContact O-CG1 3.22Å; E95-I99 PolarHBondContact O-N 2.83Å
96	L	50.2	Low	43.9	Very low	18 Å²	18	89.7 Å²	89.7	9%	0.094	46%	0.456	C	S	.	.	H	α-helix	trans	-57.9	-41.9	174	-84.5	166.6	0	0	0	113	L62 T92 L93 A100 I169	L62-L96 HydrophobicContact CD1-CD1 4.01Å; L62-L96 HydrophobicContact CD1-CD2 4.07Å; L62-L96 HydrophobicContact CD1-CG 4.11Å; L62-L96 HydrophobicContact CD2-CD2 4.12Å; L62-L96 HydrophobicContact CG-CD2 4.45Å; T92-L96 WeakPolarHBondContact O-CB 3.37Å; T92-L96 WeakPolarHBondContact O-CD1 3.42Å; T92-L96 VanDerWaalsContact O-CG 3.29Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.42Å; T92-L96 VanDerWaalsContact O-N 3.12Å; L93-L96 HydrophobicContact CD2-CD1 4.24Å; L93-L96 WeakPolarHBondContact O-CB 3.12Å; L93-L96 PolarHBondContact O-N 2.78Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 2.78Å; L96-I169 HydrophobicContact CD1-CD1 3.67Å; L96-I169 HydrophobicContact CD2-CD1 3.54Å; L96-I169 HydrophobicContact CG-CD1 4.27Å
97	F	49.1	Very low	44.1	Very low	94 Å²	94	88.7 Å²	88.7	41%	0.412	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-36.2	177.3	-94.1	-68.4	0	0	0	112.6	L93 D94 E95 K101 M180	L93-F97 WeakPolarHBondContact O-CD2 3.15Å; L93-F97 PolarHBondContact O-N 3.44Å; D94-F97 PolarHBondContact O-N 3.39Å; E95-F97 VanDerWaalsContact C-N 3.33Å; E95-F97 PolarHBondContact O-N 3.42Å; F97-K101 WeakPolarHBondContact O-CD 3.46Å; F97-K101 WeakPolarHBondContact O-CE 3.45Å; F97-K101 WeakPolarHBondContact O-CG 3.38Å; F97-K101 PolarHBondContact O-N 3.46Å; F97-M180 HydrophobicContact CD1-CE 4.17Å; F97-M180 HydrophobicContact CE1-CE 4.04Å
98	D	52.9	Low	44.5	Very low	89 Å²	89	86.8 Å²	86.8	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-74.5	-38.3	175.9	-85.2	3.7	0	0	0	112.3	D94 E95 A100 K101 L102	D94-D98 PolarHBondContact O-N 2.82Å; E95-D98 PolarHBondContact O-N 3.48Å; D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 2.89Å; D98-K101 PolarHBondContact O-N 3.13Å; D98-K101 WeakPolarHBondContact OD1-CD 3.26Å; D98-K101 WeakPolarHBondContact OD1-CE 3.24Å; D98-K101 IonicContact OD1-NZ 3.19Å; D98-K101 PolarHBondContact OD1-NZ 2.65Å; D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 VanDerWaalsContact O-CG 3.25Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 3.42Å
99	I	50.7	Low	44.6	Very low	18 Å²	18	86.2 Å²	86.2	9%	0.092	43%	0.431	C	S	.	.	H	α-helix	trans	-55.7	-47.3	168.4	-70.8	166.8	0	0	0	110.4	I17 I39 E95 L102 L103	I17-I99 HydrophobicContact CD1-CD1 3.49Å; I17-I99 VanDerWaalsContact CD1-CD1 3.49Å; I17-I99 HydrophobicContact CD1-CG1 3.49Å; I17-I99 VanDerWaalsContact CD1-CG1 3.49Å; I39-I99 HydrophobicContact CD1-CD1 4.11Å; I39-I99 HydrophobicContact CD1-CG2 3.75Å; E95-I99 WeakPolarHBondContact O-CB 3.31Å; E95-I99 WeakPolarHBondContact O-CD1 3.42Å; E95-I99 WeakPolarHBondContact O-CG1 3.22Å; E95-I99 PolarHBondContact O-N 2.83Å; I99-L102 PolarHBondContact O-N 2.78Å; I99-L103 HydrophobicContact CG2-CD1 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 2.95Å
100	A	48.1	Very low	44.3	Very low	8 Å²	8	89 Å²	89	7%	0.066	44%	0.435	C	S	.	.	H	α-helix	trans	-64.3	-42.3	178.4	0	0	0	0	0	112.8	L96 D98 L102 L103 T104 M180	L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 2.78Å; D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 2.89Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.17Å; A100-L103 PolarHBondContact O-N 3.47Å; A100-T104 PolarHBondContact O-N 3.3Å; A100-T104 PolarHBondContact O-OG1 2.79Å; A100-M180 HydrophobicContact CB-CE 3.68Å; A100-M180 HydrophobicContact CB-SD 3.56Å; A100-M180 VanDerWaalsContact CB-SD 3.56Å
101	K	52	Low	44	Very low	96 Å²	96	87 Å²	87	42%	0.417	43%	0.433	S	S	.	.	H	α-helix	trans	-59.3	-43.9	172.4	-70	161	-150	155.6	0	111.2	F97 D98 L103 T104 Y105	F97-K101 WeakPolarHBondContact O-CD 3.46Å; F97-K101 WeakPolarHBondContact O-CE 3.45Å; F97-K101 WeakPolarHBondContact O-CG 3.38Å; F97-K101 PolarHBondContact O-N 3.46Å; D98-K101 PolarHBondContact O-N 3.13Å; D98-K101 WeakPolarHBondContact OD1-CD 3.26Å; D98-K101 WeakPolarHBondContact OD1-CE 3.24Å; D98-K101 IonicContact OD1-NZ 3.19Å; D98-K101 PolarHBondContact OD1-NZ 2.65Å; K101-L103 PolarHBondContact O-N 3.01Å; K101-T104 PolarHBondContact O-N 3.16Å; K101-Y105 HydrophobicContact CB-CD2 4.41Å; K101-Y105 HydrophobicContact CB-CE2 4.41Å; K101-Y105 WeakPolarHBondContact O-CD2 3.33Å; K101-Y105 PolarHBondContact O-N 3.09Å
102	L	52	Low	42.9	Very low	117 Å²	117	87.4 Å²	87.4	61%	0.613	44%	0.443	S	S	*	.	H	α-helix	trans	-63.1	-38.9	178.4	-73.1	167.7	0	0	0	112.2	D98 I99 A100 S106	D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 VanDerWaalsContact O-CG 3.25Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 3.42Å; I99-L102 PolarHBondContact O-N 2.78Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.17Å; L102-S106 VanDerWaalsContact O-CB 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.31Å; L102-S106 PolarHBondContact O-N 3.41Å
103	L	46.6	Very low	41.8	Very low	53 Å²	53	89 Å²	89	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-61.6	-46.6	172.5	-71.2	171.2	0	0	0	111.5	I15 I99 A100 K101 S106 M107 I174	I15-L103 HydrophobicContact CD1-CD2 4.06Å; I99-L103 HydrophobicContact CG2-CD1 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 2.95Å; A100-L103 PolarHBondContact O-N 3.47Å; K101-L103 PolarHBondContact O-N 3.01Å; L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-M107 WeakPolarHBondContact O-CG 3.2Å; L103-M107 PolarHBondContact O-N 3.33Å; L103-M107 VanDerWaalsContact O-N 3.11Å; L103-I174 HydrophobicContact CB-CD1 4.45Å
104	T	44.6	Very low	40.9	Very low	43 Å²	43	88.3 Å²	88.3	26%	0.264	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-47.1	176.5	-55	0	0	0	0	112.2	A100 K101 S106 M107 D108	A100-T104 PolarHBondContact O-N 3.3Å; A100-T104 PolarHBondContact O-OG1 2.79Å; K101-T104 PolarHBondContact O-N 3.16Å; T104-S106 PolarHBondContact O-N 2.82Å; T104-M107 WeakPolarHBondContact O-CA 3.48Å; T104-M107 WeakPolarHBondContact O-CB 3.15Å; T104-M107 PolarHBondContact O-N 2.65Å; T104-D108 PolarHBondContact O-N 2.83Å; T104-D108 VanDerWaalsContact O-N 3.07Å
105	Y	41.1	Very low	39.6	Very low	152 Å²	152	88.6 Å²	88.6	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-61.7	-29.5	176.6	-80	-57.9	0	0	0	113.6	K101 N109	K101-Y105 HydrophobicContact CB-CD2 4.41Å; K101-Y105 HydrophobicContact CB-CE2 4.41Å; K101-Y105 WeakPolarHBondContact O-CD2 3.33Å; K101-Y105 PolarHBondContact O-N 3.09Å; Y105-N109 PolarHBondContact O-N 3.38Å; Y105-N109 PolarHBondContact O-ND2 3.04Å
106	S	39.3	Very low	38.3	Very low	82 Å²	82	87.9 Å²	87.9	57%	0.573	48%	0.484	S	S	*	.	H	α-helix	trans	-73.2	-28.4	173.4	-167.1	0	0	0	0	112.5	L102 L103 T104	L102-S106 VanDerWaalsContact O-CB 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.31Å; L102-S106 PolarHBondContact O-N 3.41Å; L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.44Å; T104-S106 PolarHBondContact O-N 2.82Å
107	M	33	Very low	37.1	Very low	66 Å²	66	95.9 Å²	95.9	33%	0.325	52%	0.518	S	S	.	.	H	α-helix	trans	-77.4	-35.7	174.7	-72.4	175.3	53.6	0	0	113.4	I55 L103 T104 R110 I174	I55-M107 HydrophobicContact CD1-CE 3.56Å; I55-M107 HydrophobicContact CD1-SD 3.93Å; I55-M107 HydrophobicContact CG1-CE 4.31Å; L103-M107 WeakPolarHBondContact O-CG 3.2Å; L103-M107 PolarHBondContact O-N 3.33Å; L103-M107 VanDerWaalsContact O-N 3.11Å; T104-M107 WeakPolarHBondContact O-CA 3.48Å; T104-M107 WeakPolarHBondContact O-CB 3.15Å; T104-M107 PolarHBondContact O-N 2.65Å; M107-R110 WeakPolarHBondContact O-CG 3.47Å; M107-I174 HydrophobicContact SD-CG2 4.49Å
108	D	36.3	Very low	35.9	Very low	87 Å²	87	97.9 Å²	97.9	47%	0.465	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-42.7	174.2	-82.8	-40.5	0	0	0	112	T104 R110	T104-D108 PolarHBondContact O-N 2.83Å; T104-D108 VanDerWaalsContact O-N 3.07Å; D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 PolarHBondContact O-N 3.35Å
109	N	33.3	Very low	34.6	Very low	112 Å²	112	100.7 Å²	100.7	60%	0.599	54%	0.542	S	S	*	.			trans	-78	71.7	175.3	-77.8	-56.1	0	0	0	111.8	Y105 Q111	Y105-N109 PolarHBondContact O-N 3.38Å; Y105-N109 PolarHBondContact O-ND2 3.04Å; N109-Q111 PolarHBondContact O-N 2.91Å
110	R	27.6	Very low	33.5	Very low	192 Å²	192	107.4 Å²	107.4	73%	0.725	58%	0.577	S	S	*	*			trans	-71.1	48.3	168.6	-63.9	-165.4	178.3	-159.8	4.3	113.4	M107 D108 Y339	M107-R110 WeakPolarHBondContact O-CG 3.47Å; D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 PolarHBondContact O-N 3.35Å; R110-Y339 VanDerWaalsContact CD-OH 3.22Å; R110-Y339 WeakPolarHBondContact CD-OH 3.39Å
111	Q	28.2	Very low	32.6	Very low	163 Å²	163	115.3 Å²	115.3	76%	0.762	61%	0.61	S	S	*	*	S	Bend	trans	-114.6	135.3	163.5	-68.7	-170.9	-7.3	0	0	108.3	N109 V113	N109-Q111 PolarHBondContact O-N 2.91Å; Q111-V113 PolarHBondContact O-N 3.27Å
112	S	23.8	Very low	31.6	Very low	95 Å²	95	115 Å²	115	66%	0.664	63%	0.625	S	S	*	*			trans	-58.8	104.7	-172.1	50.7	0	0	0	0	112.5	S114	S112-S114 PolarHBondContact O-N 3.37Å
113	V	24.2	Very low	30.4	Very low	110 Å²	110	116.8 Å²	116.8	67%	0.667	64%	0.635	S	S	*	*			trans	-77.8	81.9	161.4	-174.4	0	0	0	0	107.5	Q111	Q111-V113 PolarHBondContact O-N 3.27Å
114	S	25.1	Very low	29.9	Very low	82 Å²	82	121.6 Å²	121.6	57%	0.573	66%	0.661	S	S	*	*			trans	-60.5	148.6	160.1	51.7	0	0	0	0	108.9	S112 G116	S112-S114 PolarHBondContact O-N 3.37Å; S114-G116 VanDerWaalsContact C-N 3.31Å; S114-G116 PolarHBondContact O-N 2.91Å
115	A	23.5	Very low	29.5	Very low	117 Å²	117	127.6 Å²	127.6	97%	0.967	69%	0.692	S	S	*	*	S	Bend	trans	-69.2	84.7	-172.7	0	0	0	0	0	111.5
116	G	22.5	Very low	28.9	Very low	52 Å²	52	124 Å²	124	54%	0.536	70%	0.7	S	S	.	*			trans	-143.4	135.9	-173.8	0	0	0	0	0	111.8	S114 I118	S114-G116 VanDerWaalsContact C-N 3.31Å; S114-G116 PolarHBondContact O-N 2.91Å; G116-I118 PolarHBondContact O-N 3.47Å
117	K	24.5	Very low	28.5	Very low	185 Å²	185	131 Å²	131	80%	0.804	72%	0.716	S	S	*	*			trans	-52.8	110	-177.9	-70.1	178.3	173.6	-177.8	0	112	H119	K117-H119 PolarHBondContact O-N 3.48Å
118	I	25.5	Very low	28.4	Very low	137 Å²	137	135.6 Å²	135.6	70%	0.703	74%	0.737	S	S	*	*			trans	-74.6	81.7	161.7	-56.2	-179.3	0	0	0	107.5	G116 L120	G116-I118 PolarHBondContact O-N 3.47Å; I118-L120 HydrophobicContact CG2-CD2 4.36Å; I118-L120 PolarHBondContact O-N 3.32Å
119	H	25.1	Very low	28.2	Very low	148 Å²	148	137 Å²	137	69%	0.685	75%	0.751	S	S	*	*			trans	-66	101.6	161.7	-100	-80.6	0	0	0	107.8	K117 K121	K117-H119 PolarHBondContact O-N 3.48Å; H119-K121 PolarHBondContact O-N 3.02Å
120	L	27.8	Very low	28.1	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	76%	0.763	S	S	*	*			trans	-62.9	102.5	158.5	-68.1	177.5	0	0	0	107.2	I118 A122	I118-L120 HydrophobicContact CG2-CD2 4.36Å; I118-L120 PolarHBondContact O-N 3.32Å; L120-A122 PolarHBondContact O-N 3.28Å
121	K	28.3	Very low	28.2	Very low	174 Å²	174	134.5 Å²	134.5	76%	0.757	77%	0.765	S	S	*	*			trans	-72	123.8	166.7	-74	-176.2	173.2	-175.4	0	107.8	H119 D123	H119-K121 PolarHBondContact O-N 3.02Å; K121-D123 PolarHBondContact O-N 3.48Å
122	A	32	Very low	28.4	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	76%	0.761	S	S	*	*			trans	-67.5	118.7	151.1	0	0	0	0	0	106.9	L120 D124	L120-A122 PolarHBondContact O-N 3.28Å; A122-D124 PolarHBondContact O-N 3.38Å
123	D	27.1	Very low	28.8	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	77%	0.765	S	S	*	*			trans	-80.7	103	162.8	-66.8	-41.8	0	0	0	106.4	K121	K121-D123 PolarHBondContact O-N 3.48Å
124	D	35.7	Very low	29	Very low	153 Å²	153	135.9 Å²	135.9	82%	0.818	76%	0.764	S	S	*	*			trans	-133	138	172.4	-121.4	-36.4	0	0	0	109.5	A122	A122-D124 PolarHBondContact O-N 3.38Å
125	D	36	Very low	29	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	78%	0.777	S	S	*	*			trans	-81	146.8	-162.6	-76.5	-52.8	0	0	0	113.5
126	G	29.1	Very low	29.2	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	76%	0.761	S	S	*	*			trans	-75.6	141.3	-158	0	0	0	0	0	117.3
127	Y	30.4	Very low	29.6	Very low	230 Å²	230	144.6 Å²	144.6	90%	0.902	77%	0.771	S	S	*	*			trans	-138	142.8	147.8	-149.8	-98.3	0	0	0	110.8
128	E	31.2	Very low	29.9	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	77%	0.765	S	S	*	*			trans	-93.9	129.3	-167.8	-170.8	175.4	-138.7	0	0	112.3
129	P	31	Very low	30.1	Very low	118 Å²	118	141.5 Å²	141.5	77%	0.766	76%	0.764	S	S	*	*			trans	-89.2	133	-177.1	33.6	-33.3	0	0	0	112.7
130	N	31.2	Very low	30.5	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	78%	0.775	S	S	*	*			trans	-106	122.5	166.9	-82.3	-78.7	0	0	0	110.4
131	A	30.2	Very low	30.7	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	78%	0.775	S	S	*	*			trans	-89	166.2	179.5	0	0	0	0	0	112.4
132	E	31.8	Very low	30.9	Very low	147 Å²	147	136.3 Å²	136.3	69%	0.687	78%	0.78	S	S	*	*				169.8	137.1	114.1	-92.6	-162.4	142.5	0	0	114.3
133	K	32.2	Very low	30.8	Very low	170 Å²	170	136 Å²	136	74%	0.739	79%	0.786	S	S	*	*			trans	67.3	153.1	145.4	-66.1	164.2	-174.3	152.4	0	119.6
134	A	28.8	Very low	31.1	Very low	79 Å²	79	132.3 Å²	132.3	65%	0.653	78%	0.784	S	S	*	*			cis	-170.3	147.4	-22.4	0	0	0	0	0	112.6
135	F	24.5	Very low	31	Very low	194 Å²	194	132.3 Å²	132.3	85%	0.851	78%	0.784	S	S	*	*			trans	65.8	115.3	139.3	-87.7	-118.9	0	0	0	123.5
136	V	29.4	Very low	31.2	Very low	103 Å²	103	131.5 Å²	131.5	62%	0.624	78%	0.779	S	S	*	*				79.6	116.6	119.6	168	0	0	0	0	121.5
137	N	29.5	Very low	31.7	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	78%	0.783	S	S	*	*			trans	54.4	160	139.8	-54.3	10.7	0	0	0	119.4
138	N	31.2	Very low	31.8	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	78%	0.781	S	S	*	*			cis	-156.5	163.1	17.6	-145.9	4.1	0	0	0	112.8
139	N	30.5	Very low	32	Very low	130 Å²	130	132.3 Å²	132.3	70%	0.695	79%	0.785	S	S	*	*			trans	-14.7	143.6	166.1	-50	-22	0	0	0	120
140	N	32.9	Very low	31.8	Very low	169 Å²	169	136 Å²	136	90%	0.904	79%	0.789	S	S	*	*				-160.8	161.6	124.4	-107	-44.6	0	0	0	113.4
141	S	31.1	Very low	31.6	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	79%	0.787	S	S	*	*			trans	-114.3	164.6	-158.1	-44.6	0	0	0	0	115.5
142	G	32.5	Very low	31.3	Very low	84 Å²	84	142 Å²	142	87%	0.866	79%	0.789	S	S	*	*			trans	111.5	141.6	167.6	0	0	0	0	0	113.2
143	G	30.5	Very low	31	Very low	84 Å²	84	140.7 Å²	140.7	87%	0.866	79%	0.793	S	S	*	*			cis	155.2	142.3	-1.8	0	0	0	0	0	110.5
144	G	34.2	Very low	30.7	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	79%	0.792	S	S	*	*			trans	165.1	129.6	-180	0	0	0	0	0	111.4
145	D	33.3	Very low	30.5	Very low	153 Å²	153	143 Å²	143	82%	0.818	80%	0.804	S	S	*	*			trans	-90.8	167.8	-177.9	-46.3	-87.1	0	0	0	111.3
146	D	39.8	Very low	30.4	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	79%	0.785	S	S	*	*				171.8	127.1	124	-85	-15.2	0	0	0	113.7
147	D	38.8	Very low	30.3	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	79%	0.789	S	S	*	*			trans	57.3	128	152.2	-68.8	-15.2	0	0	0	125.4
148	D	34	Very low	30	Very low	159 Å²	159	138.2 Å²	138.2	85%	0.85	79%	0.791	S	S	*	*			trans	-67.6	133.2	169.5	-78.8	-66.9	0	0	0	114.2
149	I	33.8	Very low	29.8	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	79%	0.791	S	S	*	*			trans	-125.7	106.8	147.9	-61.7	-175.5	0	0	0	110.2	Y151	I149-Y151 PolarHBondContact O-N 3.12Å
150	K	28.8	Very low	29.5	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	80%	0.796	S	S	*	*			trans	-79.5	110.1	-175.7	-175.3	177.2	-174.2	171.4	0	111.9
151	Y	26.3	Very low	29.2	Very low	206 Å²	206	138 Å²	138	81%	0.808	79%	0.789	S	S	*	*			trans	-130.5	133.6	171.3	-148.9	-91.8	0	0	0	110.7	I149	I149-Y151 PolarHBondContact O-N 3.12Å
152	Q	23.6	Very low	28.8	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	78%	0.783	S	S	*	*			trans	-116.8	120.6	173.2	-80.9	-168.7	-34.2	0	0	109.9
153	P	26.1	Very low	28.5	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	78%	0.778	S	S	*	*			trans	-72.9	135.1	154.6	-10.5	28.1	0	0	0	109.4
154	S	25.1	Very low	28.5	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	77%	0.769	S	S	*	*			trans	-74.3	145.1	176.4	46.5	0	0	0	0	112.2	T156	S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 VanDerWaalsContact O-N 3.14Å
155	Q	24.8	Very low	28.2	Very low	194 Å²	194	146.5 Å²	146.5	91%	0.907	77%	0.767	S	S	*	*	S	Bend	trans	-71.6	99.6	175.5	-68.1	173.1	-32.5	0	0	111.7
156	T	22.8	Very low	28.2	Very low	73 Å²	73	145.3 Å²	145.3	45%	0.448	76%	0.761	S	S	.	*			trans	-159	104.8	159.1	43.8	0	0	0	0	110.1	S154 H203	S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 VanDerWaalsContact O-N 3.14Å; T156-H203 VanDerWaalsContact CG2-CE1 3.44Å; T156-H203 WeakPolarHBondContact CG2-CE1 3.22Å; T156-H203 WeakPolarHBondContact CG2-NE2 3.17Å
157	T	27.4	Very low	27.9	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	74%	0.741	S	S	*	*			trans	-144.9	100.7	164.8	48.9	0	0	0	0	108.6	N159	T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 3.28Å
158	D	22.9	Very low	28	Very low	147 Å²	147	137 Å²	137	79%	0.786	72%	0.717	S	S	*	*			trans	-74.9	80.5	179.7	-57.8	-66.7	0	0	0	110.4	N160	D158-N160 VanDerWaalsContact C-N 3.3Å; D158-N160 PolarHBondContact O-N 2.86Å
159	N	27.5	Very low	28.4	Very low	127 Å²	127	129.8 Å²	129.8	68%	0.679	68%	0.678	S	S	*	*			trans	-75.3	82.1	179.8	-73.3	7.7	0	0	0	110.7	T157 L161	T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 3.28Å; N159-L161 PolarHBondContact O-N 3.05Å
160	N	23.3	Very low	29.2	Very low	150 Å²	150	125 Å²	125	80%	0.802	65%	0.651	S	S	*	*			trans	-65.7	77.3	165.8	-75.9	-52.3	0	0	0	110.6	D158	D158-N160 VanDerWaalsContact C-N 3.3Å; D158-N160 PolarHBondContact O-N 2.86Å
161	L	26.7	Very low	29.9	Very low	143 Å²	143	118.7 Å²	118.7	75%	0.749	62%	0.624	S	S	*	*			trans	-81.1	115.1	164	-79.1	162.2	0	0	0	108.4	N159 S163	N159-L161 PolarHBondContact O-N 3.05Å; L161-S163 PolarHBondContact O-N 3.09Å; L161-S163 VanDerWaalsContact O-N 3.1Å
162	I	22.6	Very low	30.9	Very low	138 Å²	138	109.9 Å²	109.9	71%	0.708	59%	0.591	S	S	*	*			trans	-77	98.2	179.1	-61.9	175.4	0	0	0	107.1	S164	I162-S164 PolarHBondContact O-N 3.36Å
163	S	27.3	Very low	32	Very low	109 Å²	109	102.3 Å²	102.3	76%	0.762	56%	0.557	S	S	*	*			trans	-52	139.3	178.4	-165.1	0	0	0	0	111.3	L161 R165	L161-S163 PolarHBondContact O-N 3.09Å; L161-S163 VanDerWaalsContact O-N 3.1Å; S163-R165 PolarHBondContact O-N 3.14Å
164	S	29.4	Very low	32.9	Very low	97 Å²	97	97.2 Å²	97.2	68%	0.678	52%	0.523	S	S	*	.			trans	-45.5	130.5	-172.8	-49.9	0	0	0	0	112.7	I162 N166	I162-S164 PolarHBondContact O-N 3.36Å; S164-N166 PolarHBondContact O-N 3.17Å
165	R	28.4	Very low	33.5	Very low	197 Å²	197	92.5 Å²	92.5	74%	0.743	49%	0.491	S	S	*	.			trans	-61.4	131	-179.9	-66.7	-175.8	-175.6	172.8	3	110.7	S163 V167	S163-R165 PolarHBondContact O-N 3.14Å; R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 HydrophobicContact CB-CG2 4.43Å; R165-V167 PolarHBondContact O-N 2.85Å
166	N	32.1	Very low	34	Very low	128 Å²	128	90.3 Å²	90.3	68%	0.684	48%	0.475	S	S	*	.			trans	-73.1	78.2	179.3	-71.8	-39.5	0	0	0	111.5	S164 N187	S164-N166 PolarHBondContact O-N 3.17Å; N166-N187 PolarHBondContact O-N 2.88Å; N166-N187 VanDerWaalsContact O-N 3.14Å
167	V	33.9	Very low	34.6	Very low	66 Å²	66	90.5 Å²	90.5	40%	0.4	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.5	171.7	-174.8	0	0	0	0	109	R165 M184 E186	R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 HydrophobicContact CB-CG2 4.43Å; R165-V167 PolarHBondContact O-N 2.85Å; V167-M184 HydrophobicContact CG1-CB 3.8Å; V167-M184 HydrophobicContact CG1-CG 4.09Å; V167-M184 HydrophobicContact CG1-SD 3.89Å; V167-E186 HydrophobicContact CG2-CG 4.44Å
168	E	40.8	Very low	35.3	Very low	74 Å²	74	92.5 Å²	92.5	35%	0.346	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.8	179	-170.1	177.8	171.1	0	0	111.3	K170 M184 E185 N187	E168-K170 HydrophobicContact CG-CG 4.43Å; E168-K170 PolarHBondContact O-N 3.26Å; E168-K170 VanDerWaalsContact O-N 3.08Å; E168-M184 WeakPolarHBondContact O-CA 3.46Å; E168-E185 PolarHBondContact N-O 3.14Å; E168-E185 PolarHBondContact O-N 2.93Å; E168-N187 PolarHBondContact OE2-ND2 3.14Å
169	I	42.7	Very low	36.2	Very low	8 Å²	8	93.9 Å²	93.9	4%	0.041	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	88	177.6	-54.8	174.1	0	0	0	109.1	V60 L62 L96 Q171 I172 I182	V60-I169 HydrophobicContact CB-CB 4.16Å; V60-I169 HydrophobicContact CB-CG2 4.14Å; V60-I169 PolarHBondContact N-O 3.08Å; L62-I169 HydrophobicContact CD1-CD1 4.43Å; L96-I169 HydrophobicContact CD1-CD1 3.67Å; L96-I169 HydrophobicContact CD2-CD1 3.54Å; L96-I169 HydrophobicContact CG-CD1 4.27Å; I169-Q171 PolarHBondContact O-N 3.1Å; I169-I172 HydrophobicContact CG2-CD1 4.04Å; I169-I172 HydrophobicContact CG2-CG1 3.63Å; I169-I182 HydrophobicContact CG2-CG2 3.85Å
170	K	50.1	Low	37.1	Very low	63 Å²	63	91.4 Å²	91.4	27%	0.274	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-31.7	-178.6	-68.4	-162.6	-177.3	174.6	0	113.5	K58 N59 E168 V183 E185	K58-K170 VanDerWaalsContact CA-O 3.27Å; K58-K170 WeakPolarHBondContact CA-O 3.48Å; N59-K170 PolarHBondContact N-O 2.82Å; E168-K170 HydrophobicContact CG-CG 4.43Å; E168-K170 PolarHBondContact O-N 3.26Å; E168-K170 VanDerWaalsContact O-N 3.08Å; K170-V183 PolarHBondContact N-O 2.97Å; K170-E185 HydrophobicContact CD-CB 4.28Å; K170-E185 HydrophobicContact CD-CG 4.14Å; K170-E185 VanDerWaalsContact CD-OE1 3.29Å; K170-E185 WeakPolarHBondContact CD-OE1 3.28Å; K170-E185 IonicContact NZ-OE1 2.67Å; K170-E185 PolarHBondContact NZ-OE1 3.24Å; K170-E185 VanDerWaalsContact NZ-OE1 3.17Å; K170-E185 IonicContact NZ-OE2 3.29Å; K170-E185 PolarHBondContact NZ-OE2 3.17Å
171	Q	44	Very low	38	Very low	62 Å²	62	87.3 Å²	87.3	29%	0.29	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	139.8	179	-168.4	170.5	-52.5	0	0	112.8	V56 F57 K58 I169 V173 I182 V183	V56-Q171 HydrophobicContact CG1-CG 3.61Å; F57-Q171 WeakPolarHBondContact O-CA 3.28Å; F57-Q171 WeakPolarHBondContact O-CG 3.33Å; K58-Q171 HydrophobicContact CG-CG 4.28Å; I169-Q171 PolarHBondContact O-N 3.1Å; Q171-V173 HydrophobicContact CG-CG2 4.1Å; Q171-I182 WeakPolarHBondContact O-CA 3.06Å; Q171-V183 HydrophobicContact CB-CB 4.01Å; Q171-V183 HydrophobicContact CB-CG2 4.11Å; Q171-V183 PolarHBondContact N-O 2.99Å; Q171-V183 PolarHBondContact O-N 3.15Å
172	I	47.5	Very low	38.9	Very low	22 Å²	22	83.1 Å²	83.1	11%	0.113	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.9	163.5	-52.3	177.6	0	0	0	107.3	V56 F57 V60 I169 I174 M180 S181 I182	V56-I172 CarbonylContact C-O 3.59Å; V56-I172 WeakPolarHBondContact CA-O 3.24Å; F57-I172 HydrophobicContact CB-CB 4.28Å; F57-I172 HydrophobicContact CD2-CB 4.41Å; F57-I172 PolarHBondContact N-O 3.19Å; F57-I172 PolarHBondContact O-N 3.48Å; V60-I172 HydrophobicContact CG1-CD1 4.41Å; V60-I172 HydrophobicContact CG2-CD1 4.13Å; V60-I172 HydrophobicContact CG2-CG1 4.33Å; I169-I172 HydrophobicContact CG2-CD1 4.04Å; I169-I172 HydrophobicContact CG2-CG1 3.63Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I172-M180 HydrophobicContact CG2-CG 4.36Å; I172-M180 HydrophobicContact CG2-SD 4.35Å; I172-S181 WeakPolarHBondContact CA-O 3.44Å; I172-I182 HydrophobicContact CG1-CG1 4.49Å; I172-I182 HydrophobicContact CG2-CG1 4.35Å
173	V	46.3	Very low	40	Very low	14 Å²	14	79.7 Å²	79.7	9%	0.085	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	171.4	-173.3	0	0	0	0	108.5	E54 I55 V56 Q171 M180 S181	E54-V173 HydrophobicContact CB-CG1 4.27Å; E54-V173 HydrophobicContact CG-CG1 4.49Å; I55-V173 WeakPolarHBondContact O-CA 3.48Å; V56-V173 HydrophobicContact CG1-CG2 4.32Å; V56-V173 HydrophobicContact CG2-CG1 4.27Å; V56-V173 HydrophobicContact CG2-CG2 4.22Å; Q171-V173 HydrophobicContact CG-CG2 4.1Å; V173-M180 VanDerWaalsContact O-CA 3.26Å; V173-M180 WeakPolarHBondContact O-CA 3.48Å; V173-M180 WeakPolarHBondContact O-CG 3.45Å; V173-S181 PolarHBondContact N-O 3.43Å; V173-S181 PolarHBondContact O-N 3.26Å
174	I	44.9	Very low	40.6	Very low	10 Å²	10	79.2 Å²	79.2	5%	0.051	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.8	172.1	-53.2	-179	0	0	0	107.4	E54 I55 F57 L103 M107 I172 R179 M180	E54-I174 WeakPolarHBondContact CA-O 3.15Å; I55-I174 PolarHBondContact N-O 2.98Å; I55-I174 PolarHBondContact O-N 3.47Å; F57-I174 HydrophobicContact CE2-CD1 4.09Å; L103-I174 HydrophobicContact CB-CD1 4.45Å; M107-I174 HydrophobicContact SD-CG2 4.49Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I174-R179 CarbonylContact C-O 3.57Å; I174-R179 WeakPolarHBondContact CA-O 3.34Å; I174-M180 HydrophobicContact CG1-CG 4.43Å; I174-M180 HydrophobicContact CG1-SD 4.5Å
175	G	37.6	Very low	41.1	Very low	5 Å²	5	79 Å²	79	5%	0.052	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.6	178.9	0	0	0	0	0	111.5	D53 R179	D53-G175 WeakPolarHBondContact O-CA 3.37Å; G175-R179 PolarHBondContact N-O 3.49Å; G175-R179 WeakPolarHBondContact O-CB 3.48Å; G175-R179 PolarHBondContact O-N 2.79Å
176	Y	35.8	Very low	41.7	Very low	148 Å²	148	75.5 Å²	75.5	58%	0.58	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	141.4	-178.3	-165	-102.8	0	0	0	111.9	D53	D53-Y176 PolarHBondContact O-N 3.15Å; D53-Y176 VanDerWaalsContact O-N 3.07Å
177	P	35.9	Very low	42	Very low	77 Å²	77	72.3 Å²	72.3	50%	0.5	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.1	-30.6	-3	-4.4	24.5	0	0	0	114.4
178	D	42.2	Very low	42	Very low	157 Å²	157	76.7 Å²	76.7	84%	0.84	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	20	-163.6	-68.5	-73.4	0	0	0	113.7
179	R	40.5	Very low	41.8	Very low	177 Å²	177	79.9 Å²	79.9	67%	0.668	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.3	179.5	-70	-174.8	174.3	179.4	2.2	111.5	I174 G175	I174-R179 CarbonylContact C-O 3.57Å; I174-R179 WeakPolarHBondContact CA-O 3.34Å; G175-R179 PolarHBondContact N-O 3.49Å; G175-R179 WeakPolarHBondContact O-CB 3.48Å; G175-R179 PolarHBondContact O-N 2.79Å
180	M	46.5	Very low	41.2	Very low	74 Å²	74	87.4 Å²	87.4	37%	0.365	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	161.6	-173.2	170.7	66.6	0	0	110.6	F97 A100 I172 V173 I174 I182	F97-M180 HydrophobicContact CD1-CE 4.17Å; F97-M180 HydrophobicContact CE1-CE 4.04Å; A100-M180 HydrophobicContact CB-CE 3.68Å; A100-M180 HydrophobicContact CB-SD 3.56Å; A100-M180 VanDerWaalsContact CB-SD 3.56Å; I172-M180 HydrophobicContact CG2-CG 4.36Å; I172-M180 HydrophobicContact CG2-SD 4.35Å; V173-M180 VanDerWaalsContact O-CA 3.26Å; V173-M180 WeakPolarHBondContact O-CA 3.48Å; V173-M180 WeakPolarHBondContact O-CG 3.45Å; I174-M180 HydrophobicContact CG1-CG 4.43Å; I174-M180 HydrophobicContact CG1-SD 4.5Å; M180-I182 HydrophobicContact CE-CD1 4.24Å
181	S	43.5	Very low	40.2	Very low	64 Å²	64	93.2 Å²	93.2	45%	0.448	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.8	166.7	68.8	0	0	0	0	110.7	I172 V173	I172-S181 WeakPolarHBondContact CA-O 3.44Å; V173-S181 PolarHBondContact N-O 3.43Å; V173-S181 PolarHBondContact O-N 3.26Å
182	I	44.2	Very low	39.3	Very low	56 Å²	56	95.1 Å²	95.1	29%	0.287	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125	177.4	-57.3	174.6	0	0	0	106.3	I169 Q171 I172 M180 M184	I169-I182 HydrophobicContact CG2-CG2 3.85Å; Q171-I182 WeakPolarHBondContact O-CA 3.06Å; I172-I182 HydrophobicContact CG1-CG1 4.49Å; I172-I182 HydrophobicContact CG2-CG1 4.35Å; M180-I182 HydrophobicContact CE-CD1 4.24Å; I182-M184 HydrophobicContact CG2-CG 3.89Å
183	V	45.9	Very low	38.4	Very low	66 Å²	66	98.3 Å²	98.3	40%	0.4	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.7	171.4	-174.7	0	0	0	0	107.5	K170 Q171	K170-V183 PolarHBondContact N-O 2.97Å; Q171-V183 HydrophobicContact CB-CB 4.01Å; Q171-V183 HydrophobicContact CB-CG2 4.11Å; Q171-V183 PolarHBondContact N-O 2.99Å; Q171-V183 PolarHBondContact O-N 3.15Å
184	M	40.1	Very low	37.4	Very low	98 Å²	98	106.8 Å²	106.8	48%	0.483	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.9	172	-57.3	-178.8	-61.5	0	0	108.4	L93 V167 E168 I182	L93-M184 HydrophobicContact CD2-SD 4.49Å; V167-M184 HydrophobicContact CG1-CB 3.8Å; V167-M184 HydrophobicContact CG1-CG 4.09Å; V167-M184 HydrophobicContact CG1-SD 3.89Å; E168-M184 WeakPolarHBondContact O-CA 3.46Å; I182-M184 HydrophobicContact CG2-CG 3.89Å
185	E	39.8	Very low	36.4	Very low	93 Å²	93	111 Å²	111	44%	0.435	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	136.9	159.6	-76.8	-178	-133.4	0	0	108.9	E168 K170	E168-E185 PolarHBondContact N-O 3.14Å; E168-E185 PolarHBondContact O-N 2.93Å; K170-E185 HydrophobicContact CD-CB 4.28Å; K170-E185 HydrophobicContact CD-CG 4.14Å; K170-E185 VanDerWaalsContact CD-OE1 3.29Å; K170-E185 WeakPolarHBondContact CD-OE1 3.28Å; K170-E185 IonicContact NZ-OE1 2.67Å; K170-E185 PolarHBondContact NZ-OE1 3.24Å; K170-E185 VanDerWaalsContact NZ-OE1 3.17Å; K170-E185 IonicContact NZ-OE2 3.29Å; K170-E185 PolarHBondContact NZ-OE2 3.17Å
186	E	40.9	Very low	35.8	Very low	124 Å²	124	115.9 Å²	115.9	58%	0.579	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.5	117.9	167.1	-63.9	-175.3	120.8	0	0	106.7	V167 D188	V167-E186 HydrophobicContact CG2-CG 4.44Å; E186-D188 PolarHBondContact O-N 3.37Å
187	N	38.9	Very low	35.3	Very low	61 Å²	61	116.7 Å²	116.7	33%	0.326	63%	0.63	S	S	.	*			trans	-80.6	87.9	-178.1	-78.5	-26.2	0	0	0	110	N166 E168 E189	N166-N187 PolarHBondContact O-N 2.88Å; N166-N187 VanDerWaalsContact O-N 3.14Å; E168-N187 PolarHBondContact OE2-ND2 3.14Å; N187-E189 PolarHBondContact O-N 2.9Å
188	D	34.2	Very low	34.7	Very low	158 Å²	158	120 Å²	120	85%	0.845	64%	0.643	S	S	*	*			trans	-67.2	47.7	171.3	-74.3	-26.8	0	0	0	112.7	E186 D190	E186-D188 PolarHBondContact O-N 3.37Å; D188-D190 PolarHBondContact O-N 2.85Å
189	E	37.2	Very low	34	Very low	141 Å²	141	122 Å²	122	66%	0.659	65%	0.647	S	S	*	*			trans	-92.7	90.6	173.5	-66.8	-153.5	148.3	0	0	111	N187 Y191	N187-E189 PolarHBondContact O-N 2.9Å; E189-Y191 HydrophobicContact CB-CD2 4.13Å; E189-Y191 HydrophobicContact CB-CE2 4.48Å; E189-Y191 PolarHBondContact O-N 2.93Å; E189-Y191 WeakPolarHBondContact OE2-CE2 3.36Å
190	D	29.3	Very low	33.3	Very low	166 Å²	166	121.8 Å²	121.8	89%	0.888	65%	0.654	S	S	*	*			trans	-57.5	82.5	165.2	-90.5	-38.3	0	0	0	110.6	D188 A192	D188-D190 PolarHBondContact O-N 2.85Å; D190-A192 VanDerWaalsContact C-N 3.26Å; D190-A192 PolarHBondContact O-N 3.14Å
191	Y	30	Very low	32.4	Very low	185 Å²	185	126 Å²	126	73%	0.725	68%	0.678	S	S	*	*			trans	-74.9	79.6	178.4	-112.6	-81.6	0	0	0	111.5	E189 S193	E189-Y191 HydrophobicContact CB-CD2 4.13Å; E189-Y191 HydrophobicContact CB-CE2 4.48Å; E189-Y191 PolarHBondContact O-N 2.93Å; E189-Y191 WeakPolarHBondContact OE2-CE2 3.36Å; Y191-S193 PolarHBondContact O-N 3.26Å
192	A	24.4	Very low	31.5	Very low	101 Å²	101	128.2 Å²	128.2	84%	0.835	69%	0.692	S	S	*	*			trans	-68.3	69.7	167.2	0	0	0	0	0	111.1	D190	D190-A192 VanDerWaalsContact C-N 3.26Å; D190-A192 PolarHBondContact O-N 3.14Å
193	S	29	Very low	30.8	Very low	89 Å²	89	131.6 Å²	131.6	62%	0.622	71%	0.706	S	S	*	*			trans	-96.9	104.1	175.4	57.1	0	0	0	0	111.4	Y191 A195	Y191-S193 PolarHBondContact O-N 3.26Å; S193-A195 PolarHBondContact O-N 3.17Å
194	E	23.9	Very low	29.9	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	73%	0.731	S	S	*	*			trans	-61.8	125.8	173	-58.3	179.6	133.1	0	0	111.5
195	A	25.2	Very low	29.2	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	74%	0.741	S	S	*	*			trans	-137.7	67.6	173.7	0	0	0	0	0	111.2	S193 I197	S193-A195 PolarHBondContact O-N 3.17Å; A195-I197 PolarHBondContact O-N 3.46Å
196	S	23.7	Very low	28.6	Very low	108 Å²	108	139 Å²	139	76%	0.755	75%	0.753	S	S	*	*			trans	-55.1	130.4	-179.7	-51.2	0	0	0	0	113.9
197	I	25.6	Very low	27.9	Very low	165 Å²	165	142.5 Å²	142.5	85%	0.846	77%	0.769	S	S	*	*			trans	-158.8	138	138.8	-102.3	147.4	0	0	0	109.4	A195	A195-I197 PolarHBondContact O-N 3.46Å
198	N	23.5	Very low	27.3	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	79%	0.79	S	S	*	*			trans	-77.3	147.9	-174.7	-38.4	-78.6	0	0	0	111.9
199	Q	26.8	Very low	26.9	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	79%	0.787	S	S	*	*				-156.8	144.1	112	-109.6	163.2	27.3	0	0	113
200	E	25.9	Very low	26.5	Very low	174 Å²	174	148.8 Å²	148.8	81%	0.813	80%	0.801	S	S	*	*			trans	-76.6	161.5	177.2	-60.5	160.8	111.6	0	0	111
201	N	27.7	Very low	26.6	Very low	163 Å²	163	148.1 Å²	148.1	87%	0.872	80%	0.798	S	S	*	*			trans	97.8	82.6	172.1	-52.9	-70.6	0	0	0	117.5
202	C	25.8	Very low	26.8	Very low	109 Å²	109	148.1 Å²	148.1	74%	0.736	80%	0.804	S	S	*	*				-154	172.6	120.2	-143.1	0	0	0	0	112.8
203	H	28.5	Very low	27	Very low	127 Å²	127	151.7 Å²	151.7	59%	0.588	81%	0.809	S	S	*	*			trans	51.7	57.8	170	-59.3	-63	0	0	0	119	T156 C205	T156-H203 VanDerWaalsContact CG2-CE1 3.44Å; T156-H203 WeakPolarHBondContact CG2-CE1 3.22Å; T156-H203 WeakPolarHBondContact CG2-NE2 3.17Å; H203-C205 PolarHBondContact O-N 3.11Å
204	K	27.2	Very low	27.4	Very low	212 Å²	212	152.5 Å²	152.5	92%	0.922	81%	0.814	S	S	*	*			trans	-82.2	88.4	139.1	-152.5	-177.4	-163.8	177.9	0	109.2
205	C	26.5	Very low	28.1	Very low	104 Å²	104	148.3 Å²	148.3	70%	0.703	81%	0.806	S	S	*	*			trans	-156	113	170.2	-101.1	0	0	0	0	112	H203	H203-C205 PolarHBondContact O-N 3.11Å
206	S	27	Very low	28.6	Very low	98 Å²	98	150 Å²	150	69%	0.685	80%	0.801	S	S	*	*			trans	38.7	127.9	158.2	57.1	0	0	0	0	120.4
207	E	25.7	Very low	29.1	Very low	196 Å²	196	154.2 Å²	154.2	92%	0.916	80%	0.801	S	S	*	*			cis	39.9	76.2	9.9	-79.3	-156	141	0	0	115.8
208	I	26.8	Very low	29.6	Very low	147 Å²	147	154.2 Å²	154.2	75%	0.754	80%	0.797	S	S	*	*			trans	-167.6	127.1	149.8	-105.6	150.9	0	0	0	110.7
209	L	25.8	Very low	30.1	Very low	151 Å²	151	153 Å²	153	79%	0.791	79%	0.791	S	S	*	*			trans	45.5	114.2	158	-60.3	171.8	0	0	0	120.1
210	M	28.4	Very low	30.5	Very low	194 Å²	194	151 Å²	151	96%	0.956	78%	0.783	S	S	*	*				-148.1	95.3	119.9	-86.9	-133.5	-65.5	0	0	109.9
211	D	31.7	Very low	31	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	78%	0.78	S	S	*	*			trans	-132.6	139	167.3	-106.1	-33.5	0	0	0	110.7
212	E	33.6	Very low	31.4	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	77%	0.772	S	S	*	*			trans	14.2	121.8	171.5	-52.8	-153.1	124.7	0	0	122.7
213	L	28.8	Very low	31.9	Very low	177 Å²	177	148.4 Å²	148.4	93%	0.927	77%	0.768	S	S	*	*			trans	-89.8	87.6	159.5	-75.6	170.1	0	0	0	111.9
214	S	36.7	Very low	32.2	Very low	105 Å²	105	148.5 Å²	148.5	73%	0.734	78%	0.78	S	S	*	*			trans	-162.9	121.9	148.7	-102.5	0	0	0	0	118.1
215	S	38.4	Very low	32.7	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	77%	0.77	S	S	*	*				59.8	92.2	118.8	-46.3	0	0	0	0	120.3
216	D	35.9	Very low	33.1	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	77%	0.771	S	S	*	*			trans	67.7	121.6	131	-106.7	-26.6	0	0	0	121.4
217	R	33.8	Very low	33.5	Very low	198 Å²	198	147.5 Å²	147.5	75%	0.747	77%	0.769	S	S	*	*			trans	80	98.8	141.5	-66	159.7	-167	-127	1.6	121.6
218	Q	36.7	Very low	33.9	Very low	165 Å²	165	144.9 Å²	144.9	77%	0.771	76%	0.756	S	S	*	*				61.1	120.1	114.3	-74.1	-169.3	-87.1	0	0	121.6
219	D	35.2	Very low	34.1	Very low	121 Å²	121	144.1 Å²	144.1	65%	0.647	75%	0.752	S	S	*	*			trans	85.6	107	132.1	-70.8	-44.5	0	0	0	121.3
220	M	33.5	Very low	34.1	Very low	156 Å²	156	142.4 Å²	142.4	77%	0.768	75%	0.749	S	S	*	*				84.9	109.9	129.6	-63.3	-92.2	86.3	0	0	120.4
221	S	36.7	Very low	34.1	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	74%	0.738	S	S	*	*			trans	78.3	151.3	139.4	87.7	0	0	0	0	117.2
222	K	37.4	Very low	34	Very low	163 Å²	163	141 Å²	141	71%	0.709	73%	0.732	S	S	*	*			cis	-164.7	164.3	-7.6	-128.7	174.6	150.2	-105.7	0	112
223	D	35.1	Very low	33.8	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	73%	0.728	S	S	*	*			trans	59.5	123.1	153.1	-54.3	-29.3	0	0	0	119.5
224	P	35.5	Very low	33.9	Very low	129 Å²	129	137.3 Å²	137.3	84%	0.838	72%	0.724	S	S	*	*			trans	-105.4	156.7	174.1	38.9	-32.7	0	0	0	113.9
225	S	36.9	Very low	33.5	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	72%	0.722	S	S	*	*			trans	-158.4	122.9	166.2	63.3	0	0	0	0	114.8
226	Q	35.2	Very low	33.2	Very low	154 Å²	154	138.4 Å²	138.4	72%	0.72	72%	0.719	S	S	*	*			trans	57.4	127.7	132.9	-71.6	172.7	-86.7	0	0	122.3
227	E	35.3	Very low	32.7	Very low	137 Å²	137	139.7 Å²	139.7	64%	0.64	73%	0.726	S	S	*	*			trans	76.5	152	130.5	-67.4	172.6	-149.5	0	0	118.8
228	Q	34.8	Very low	32.6	Very low	140 Å²	140	139 Å²	139	65%	0.654	73%	0.728	S	S	*	*			cis	-153.7	147	2.7	-130.6	176.8	76.4	0	0	111.9
229	I	29.9	Very low	31.9	Very low	131 Å²	131	137.5 Å²	137.5	67%	0.672	73%	0.734	S	S	*	*			trans	48.7	105.8	136.4	-71.6	174.8	0	0	0	120.4
230	T	27	Very low	31.5	Very low	116 Å²	116	137.4 Å²	137.4	71%	0.712	74%	0.738	S	S	*	*			trans	55.1	140.8	134.2	70.3	0	0	0	0	124.5
231	E	28.7	Very low	31	Very low	156 Å²	156	139.6 Å²	139.6	73%	0.729	74%	0.738	S	S	*	*				121.8	151	116.7	-120.8	177.7	-168.5	0	0	119.4
232	F	28.8	Very low	30.6	Very low	160 Å²	160	143.1 Å²	143.1	70%	0.702	75%	0.745	S	S	*	*			trans	55.9	96.6	171.7	-71	-73.3	0	0	0	120.9
233	V	28.7	Very low	29.9	Very low	127 Å²	127	141.2 Å²	141.2	77%	0.77	74%	0.739	S	S	*	*				33.6	111.1	116.8	-175.6	0	0	0	0	117
234	D	31.8	Very low	29.6	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	75%	0.749	S	S	*	*			trans	-155.6	166.2	131.9	-133.3	-31.4	0	0	0	113.5
235	N	27.4	Very low	29.2	Very low	129 Å²	129	145.9 Å²	145.9	69%	0.69	75%	0.75	S	S	*	*			trans	-65.3	152.5	-177.4	-147.4	-19	0	0	0	112.2	N237	N235-N237 PolarHBondContact OD1-N 3.12Å
236	P	33.2	Very low	28.8	Very low	103 Å²	103	145.8 Å²	145.8	67%	0.669	75%	0.749	S	S	*	*				-155.2	151.8	89.1	38.8	-20	0	0	0	117.8	K238	P236-K238 PolarHBondContact O-N 3.39Å
237	N	25.8	Very low	28.5	Very low	161 Å²	161	143.9 Å²	143.9	86%	0.861	75%	0.753	S	S	*	*			trans	-61.9	121.4	148.5	-83.5	-35.1	0	0	0	110.4	N235	N235-N237 PolarHBondContact OD1-N 3.12Å
238	K	31.7	Very low	28.4	Very low	183 Å²	183	142 Å²	142	80%	0.796	76%	0.755	S	S	*	*			trans	-156.8	111.1	165.6	-151.4	170.2	-171.8	176	0	113.9	P236	P236-K238 PolarHBondContact O-N 3.39Å
239	C	22.1	Very low	28.3	Very low	133 Å²	133	141 Å²	141	90%	0.899	76%	0.758	S	S	*	*			trans	-66.1	137.9	171.4	-56.3	0	0	0	0	111.2
240	V	27.1	Very low	28.3	Very low	119 Å²	119	139 Å²	139	72%	0.721	76%	0.756	S	S	*	*			trans	-127.3	112	163.6	178.9	0	0	0	0	108.6
241	R	22.5	Very low	28.5	Very low	203 Å²	203	141.3 Å²	141.3	77%	0.766	76%	0.764	S	S	*	*			trans	-76.2	131.6	170.4	168	-177	174.8	138.9	-7.7	109	E243	R241-E243 HydrophobicContact CG-CG 4.33Å; R241-E243 IonicContact CZ-OE1 3.08Å; R241-E243 IonicContact NE-OE1 2.61Å; R241-E243 PolarHBondContact NE-OE1 2.77Å; R241-E243 IonicContact NH2-OE1 2.6Å; R241-E243 PolarHBondContact NH2-OE1 2.87Å
242	M	27.5	Very low	28.4	Very low	178 Å²	178	139.3 Å²	139.3	88%	0.877	76%	0.762	S	S	*	*			trans	-128.4	150.8	158.5	-74.4	-161.9	172.5	0	0	109.7
243	E	22.5	Very low	28.5	Very low	124 Å²	124	138.7 Å²	138.7	58%	0.579	77%	0.772	S	S	*	*			trans	-120.2	138.2	-168	-56.3	-179.7	163.8	0	0	110.5	R241	R241-E243 HydrophobicContact CG-CG 4.33Å; R241-E243 IonicContact CZ-OE1 3.08Å; R241-E243 IonicContact NE-OE1 2.61Å; R241-E243 PolarHBondContact NE-OE1 2.77Å; R241-E243 IonicContact NH2-OE1 2.6Å; R241-E243 PolarHBondContact NH2-OE1 2.87Å
244	S	29.6	Very low	28.4	Very low	127 Å²	127	137.9 Å²	137.9	89%	0.888	77%	0.767	S	S	*	*			trans	-131.6	110.6	167.8	46	0	0	0	0	110.9
245	R	26.3	Very low	28.3	Very low	223 Å²	223	137.6 Å²	137.6	84%	0.842	76%	0.764	S	S	*	*			trans	-67.6	160.3	171	-73.1	171.6	-179	173.4	-1	110.4
246	S	28.2	Very low	28.6	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	77%	0.768	S	S	*	*			cis	-172.4	170.6	2.5	34.5	0	0	0	0	111.8
247	S	29.7	Very low	28.5	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	77%	0.773	S	S	*	*			trans	70.6	146.5	156.9	49.5	0	0	0	0	117.9
248	S	33.5	Very low	28.8	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	77%	0.773	S	S	*	*			cis	-143.3	151.6	15.8	52.6	0	0	0	0	115.2
249	T	31.6	Very low	28.7	Very low	118 Å²	118	140.2 Å²	140.2	72%	0.724	78%	0.776	S	S	*	*			trans	51.3	104	152.4	51.8	0	0	0	0	118.5
250	S	30.3	Very low	29	Very low	90 Å²	90	141.5 Å²	141.5	63%	0.629	77%	0.772	S	S	*	*				64.9	129.4	82.9	71.4	0	0	0	0	113.4
251	D	31.1	Very low	28.9	Very low	164 Å²	164	140.3 Å²	140.3	88%	0.877	77%	0.774	S	S	*	*			cis	-116.7	178.3	47.3	-70.1	-40.1	0	0	0	117.6
252	V	26.6	Very low	29	Very low	113 Å²	113	136.2 Å²	136.2	69%	0.685	78%	0.776	S	S	*	*			trans	-141.1	134.1	-165.1	174	0	0	0	0	112.6	T254	V252-T254 HydrophobicContact CG1-CG2 3.73Å
253	T	31.5	Very low	28.8	Very low	148 Å²	148	136.8 Å²	136.8	91%	0.908	78%	0.776	S	S	*	*			trans	-134.4	150.8	146.3	44.2	0	0	0	0	109.4
254	T	26.2	Very low	28.9	Very low	110 Å²	110	138 Å²	138	68%	0.675	79%	0.785	S	S	*	*			trans	-128.4	-176.5	-166.1	48.9	0	0	0	0	112.1	V252	V252-T254 HydrophobicContact CG1-CG2 3.73Å
255	I	30.2	Very low	28.6	Very low	152 Å²	152	140.5 Å²	140.5	78%	0.779	78%	0.783	S	S	*	*			trans	87.3	128.8	167.9	-55	153.4	0	0	0	113
256	D	33.8	Very low	28.6	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	78%	0.78	S	S	*	*			cis	-142.3	163.9	1.9	-138.4	-18.7	0	0	0	112.7
257	E	31.2	Very low	28.4	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	79%	0.786	S	S	*	*			trans	-90.4	148.7	172.2	-63.3	174.2	156.8	0	0	111.1
258	N	32.8	Very low	28.1	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	78%	0.782	S	S	*	*			trans	-167.1	91.1	158.5	-104.1	-74.4	0	0	0	110.9
259	D	28	Very low	27.7	Very low	159 Å²	159	145 Å²	145	85%	0.85	79%	0.792	S	S	*	*			trans	-72.8	139.3	172.4	-78.2	-49.4	0	0	0	112.6
260	I	29.3	Very low	27.4	Very low	160 Å²	160	144.9 Å²	144.9	82%	0.821	79%	0.793	S	S	*	*			trans	-134.8	105.5	151.4	-58.3	-178	0	0	0	107.9
261	A	23.7	Very low	27.1	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	80%	0.801	S	S	*	*			trans	-78.6	143.1	173.4	0	0	0	0	0	111.5
262	C	26.5	Very low	26.7	Very low	117 Å²	117	144.5 Å²	144.5	79%	0.791	78%	0.783	S	S	*	*			trans	-131.3	119.9	165.1	-76.5	0	0	0	0	108.7
263	E	22.9	Very low	26.8	Very low	191 Å²	191	147.4 Å²	147.4	89%	0.893	79%	0.788	S	S	*	*			trans	-74.6	147	176.2	-62.9	165.5	126.4	0	0	110.7
264	I	24.9	Very low	26.7	Very low	149 Å²	149	152 Å²	152	76%	0.764	79%	0.79	S	S	*	*			trans	-131.4	104.9	168.8	-59.3	-178.8	0	0	0	108.3	I266	I264-I266 HydrophobicContact CG2-CG1 4.21Å; I264-I266 PolarHBondContact O-N 2.66Å
265	E	22.4	Very low	26.7	Very low	180 Å²	180	153 Å²	153	84%	0.841	80%	0.795	S	S	*	*			trans	-72.7	121.4	169.2	-65.2	-175.1	124.4	0	0	109.9
266	I	25.8	Very low	26.4	Very low	151 Å²	151	154.4 Å²	154.4	77%	0.774	80%	0.798	S	S	*	*			trans	-101.6	101.1	175.9	-58.3	179.2	0	0	0	109.1	I264 P268	I264-I266 HydrophobicContact CG2-CG1 4.21Å; I264-I266 PolarHBondContact O-N 2.66Å; I266-P268 WeakPolarHBondContact O-CD 3.4Å
267	H	23.6	Very low	25.9	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.815	80%	0.795	S	S	*	*			trans	-80.4	119.5	168.4	-99.3	-64	0	0	0	110.7
268	P	24.8	Very low	25.5	Very low	112 Å²	112	151.3 Å²	151.3	73%	0.727	80%	0.796	S	S	*	*			trans	-86.9	126	179.4	32.5	-32.7	0	0	0	112.3	I266	I266-P268 WeakPolarHBondContact O-CD 3.4Å
269	Q	24.9	Very low	25.2	Very low	191 Å²	191	153 Å²	153	89%	0.893	79%	0.792	S	S	*	*			trans	-138.1	148.5	156.7	-71.7	-161.3	5.5	0	0	110.7
270	P	24.2	Very low	24.9	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	79%	0.788	S	S	*	*			trans	-98.8	142.2	-159.2	36.5	-35.2	0	0	0	115.9
271	L	24.8	Very low	24.6	Very low	151 Å²	151	148 Å²	148	79%	0.791	78%	0.784	S	S	*	*			trans	23.5	110.8	139.3	-73	156.8	0	0	0	119.3
272	D	23.3	Very low	24.6	Very low	94 Å²	94	148.9 Å²	148.9	50%	0.503	78%	0.78	S	S	.	*				-161.3	170.5	123.6	-98.8	-24.7	0	0	0	107.9	R601	D272-R601 IonicContact OD1-NH2 3.53Å; D272-R601 PolarHBondContact OD1-NH2 3.17Å; D272-R601 IonicContact OD2-NH2 2.65Å
273	H	28.1	Very low	24.3	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.806	77%	0.771	S	S	*	*			trans	68.9	100.3	176.6	-22.9	88.2	0	0	0	116.5
274	W	29.2	Very low	24.3	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.932	76%	0.764	S	S	*	*			trans	-100.2	140.5	152.5	-80.2	48.3	0	0	0	108.4
275	V	26.1	Very low	24.3	Very low	130 Å²	130	149.5 Å²	149.5	79%	0.788	77%	0.766	S	S	*	*			trans	-132.7	137	165.3	178.9	0	0	0	0	105.8
276	E	24.2	Very low	24.5	Very low	181 Å²	181	146.8 Å²	146.8	85%	0.846	76%	0.761	S	S	*	*	S	Bend	trans	-73.6	170.6	-177.4	-65.8	167.9	136.3	0	0	111.4
277	D	23.1	Very low	24.5	Very low	132 Å²	132	144.6 Å²	144.6	71%	0.706	76%	0.757	S	S	*	*			trans	60.3	85.9	-171.1	-70.4	-26.6	0	0	0	115.8
278	S	24	Very low	24.5	Very low	114 Å²	114	143 Å²	143	80%	0.797	76%	0.759	S	S	*	*			trans	-147.6	100.6	166	-79.7	0	0	0	0	112.5	A280	S278-A280 PolarHBondContact O-N 3.43Å
279	Y	24.5	Very low	24.7	Very low	196 Å²	196	144.7 Å²	144.7	77%	0.769	76%	0.761	S	S	*	*			trans	-76.8	108.6	-178.8	-45.9	-73.5	0	0	0	111.9	T281	Y279-T281 PolarHBondContact O-N 3.18Å
280	A	23.1	Very low	24.8	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	75%	0.748	S	S	*	*			trans	-70.7	98.3	176.6	0	0	0	0	0	111.6	S278 V282	S278-A280 PolarHBondContact O-N 3.43Å; A280-V282 PolarHBondContact O-N 3.19Å
281	T	22.5	Very low	24.9	Very low	122 Å²	122	141 Å²	141	75%	0.748	75%	0.752	S	S	*	*			trans	-79.1	88.1	178.9	-56	0	0	0	0	110.7	Y279 V283	Y279-T281 PolarHBondContact O-N 3.18Å; T281-V283 HydrophobicContact CG2-CG2 4.13Å; T281-V283 PolarHBondContact O-N 3.22Å
282	V	22.7	Very low	25.1	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.685	75%	0.749	S	S	*	*			trans	-77	92	177.8	-173.7	0	0	0	0	110.5	A280 R284	A280-V282 PolarHBondContact O-N 3.19Å; V282-R284 HydrophobicContact CG1-CG 4.11Å; V282-R284 PolarHBondContact O-N 2.79Å
283	V	21.4	Very low	25.2	Very low	101 Å²	101	141.6 Å²	141.6	61%	0.612	77%	0.765	S	S	*	*			trans	-72.9	87.9	173.8	-176	0	0	0	0	110	T281 H285	T281-V283 HydrophobicContact CG2-CG2 4.13Å; T281-V283 PolarHBondContact O-N 3.22Å; V283-H285 PolarHBondContact O-N 3.48Å
284	R	23.3	Very low	25.3	Very low	198 Å²	198	139.7 Å²	139.7	75%	0.747	77%	0.766	S	S	*	*			trans	-75.2	107.4	166.9	-71.4	-168.6	174.1	-174.5	-1.7	109.7	V282 T286	V282-R284 HydrophobicContact CG1-CG 4.11Å; V282-R284 PolarHBondContact O-N 2.79Å; R284-T286 PolarHBondContact O-N 2.68Å
285	H	23.9	Very low	25.3	Very low	171 Å²	171	133.7 Å²	133.7	79%	0.792	76%	0.756	S	S	*	*			trans	-69.1	108.9	168.3	-65.6	-44.6	0	0	0	109.8	V283	V283-H285 PolarHBondContact O-N 3.48Å
286	T	26.9	Very low	25.3	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	76%	0.755	S	S	*	*			trans	-74	138.9	171	43.2	0	0	0	0	110.5	R284	R284-T286 PolarHBondContact O-N 2.68Å
287	P	25.9	Very low	25.5	Very low	106 Å²	106	130.6 Å²	130.6	69%	0.688	75%	0.752	S	S	*	*			trans	-68.5	141.2	179	28.2	-34.3	0	0	0	111.1	I289	P287-I289 PolarHBondContact O-N 2.86Å
288	V	23.5	Very low	25.7	Very low	142 Å²	142	131.8 Å²	131.8	86%	0.861	76%	0.758	S	S	*	*			trans	-75.9	97.3	178.9	179.7	0	0	0	0	109.7
289	I	28.7	Very low	26	Very low	148 Å²	148	132.8 Å²	132.8	76%	0.759	76%	0.76	S	S	*	*			trans	-92.2	121	170.4	-56.9	179.4	0	0	0	108.8	P287	P287-I289 PolarHBondContact O-N 2.86Å
290	T	26.9	Very low	26.2	Very low	101 Å²	101	127 Å²	127	62%	0.62	75%	0.753	S	S	*	*			trans	-71.5	142.6	-179.8	48.9	0	0	0	0	112	T292	T290-T292 PolarHBondContact O-N 2.99Å
291	P	26.4	Very low	26.5	Very low	128 Å²	128	129.2 Å²	129.2	83%	0.831	75%	0.751	S	S	*	*			trans	-74.1	98.9	-179.3	30	-34.8	0	0	0	111.7	T293	P291-T293 PolarHBondContact O-N 3.12Å
292	T	30.3	Very low	27	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	76%	0.757	S	S	*	*			trans	-74.1	113.8	170.7	-42.7	0	0	0	0	109.6	T290 V294	T290-T292 PolarHBondContact O-N 2.99Å; T292-V294 PolarHBondContact O-N 3.31Å
293	T	25.4	Very low	27.3	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	76%	0.756	S	S	*	*			trans	-67.5	119.6	177.6	46.4	0	0	0	0	111.6	P291	P291-T293 PolarHBondContact O-N 3.12Å
294	V	28.8	Very low	27.7	Very low	134 Å²	134	134 Å²	134	81%	0.812	76%	0.764	S	S	*	*			trans	-118.9	131.8	167.9	-175.7	0	0	0	0	108.5	T292	T292-V294 PolarHBondContact O-N 3.31Å
295	T	29	Very low	28.2	Very low	120 Å²	120	134 Å²	134	74%	0.736	77%	0.772	S	S	*	*			trans	-85.2	147.6	-174	47.5	0	0	0	0	112.6
296	P	26.4	Very low	28.4	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	77%	0.774	S	S	*	*			trans	-70.4	140.8	177.4	30.3	-35.1	0	0	0	111.8
297	V	29.2	Very low	28.4	Very low	127 Å²	127	134.2 Å²	134.2	77%	0.77	77%	0.771	S	S	*	*			trans	-103	114.6	167.2	177.4	0	0	0	0	108
298	N	27.4	Very low	28.6	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	78%	0.778	S	S	*	*			trans	-79.4	125.7	170.7	-84.5	-11.8	0	0	0	110
299	T	30.5	Very low	29.1	Very low	136 Å²	136	138.1 Å²	138.1	83%	0.834	78%	0.78	S	S	*	*			trans	-114.9	113	159.4	-42.9	0	0	0	0	107.1
300	A	27.5	Very low	28.9	Very low	75 Å²	75	138.1 Å²	138.1	62%	0.62	78%	0.78	S	S	*	*			trans	-108.3	167.9	-174.8	0	0	0	0	0	112.1
301	N	29.8	Very low	29	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	79%	0.786	S	S	*	*			trans	76.4	114.9	177.6	-46.9	-21.5	0	0	0	113.2
302	H	33	Very low	29.1	Very low	186 Å²	186	142.2 Å²	142.2	86%	0.861	78%	0.781	S	S	*	*				-134.9	140.8	66.4	-110.9	-94.5	0	0	0	115.8
303	N	28.4	Very low	29.1	Very low	125 Å²	125	143.2 Å²	143.2	67%	0.668	78%	0.783	S	S	*	*			trans	-81.8	169.9	157.2	-49.3	-29.9	0	0	0	107.8
304	T	30.2	Very low	29.1	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	78%	0.784	S	S	*	*			cis	-164.1	143.1	21.5	-29.2	0	0	0	0	108.7
305	E	33.7	Very low	29.1	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	79%	0.788	S	S	*	*			trans	-179.3	148.9	135.2	-103.3	167.9	-171	0	0	110.3
306	M	27.9	Very low	29	Very low	169 Å²	169	147.7 Å²	147.7	83%	0.833	79%	0.789	S	S	*	*			trans	-157.7	168.4	-174	-113.6	-66.6	-165.2	0	0	109.4
307	D	27.9	Very low	29.1	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	79%	0.792	S	S	*	*			trans	60.9	104.5	169	-54.7	-38.8	0	0	0	117.1
308	N	30.2	Very low	29.1	Very low	154 Å²	154	151.8 Å²	151.8	82%	0.824	79%	0.786	S	S	*	*				168.7	106.6	104.4	-90.6	-71.6	0	0	0	111.8
309	L	33.4	Very low	29.2	Very low	176 Å²	176	149.4 Å²	149.4	92%	0.921	78%	0.78	S	S	*	*			trans	-170.5	107.6	143	-109	159.7	0	0	0	110.9
310	I	25.8	Very low	29	Very low	148 Å²	148	150.2 Å²	150.2	76%	0.759	77%	0.774	S	S	*	*			trans	-107.4	124.7	171.1	-65.4	168.4	0	0	0	107.2
311	Q	27.5	Very low	29.2	Very low	158 Å²	158	155.7 Å²	155.7	74%	0.738	79%	0.786	S	S	*	*				178.8	162.9	121.6	-119.2	139.7	-87	0	0	112.8
312	E	28.7	Very low	29.3	Very low	157 Å²	157	157.9 Å²	157.9	73%	0.734	79%	0.792	S	S	*	*			trans	55.4	107	160.4	-67.2	169.2	-159.1	0	0	116.6
313	N	30.5	Very low	29.2	Very low	142 Å²	142	159.3 Å²	159.3	76%	0.759	79%	0.791	S	S	*	*			cis	-154.4	144.5	46.1	-78.8	-81.5	0	0	0	113.3
314	L	25.4	Very low	29.2	Very low	167 Å²	167	157.7 Å²	157.7	87%	0.874	80%	0.796	S	S	*	*			trans	-102	111.2	162	-95.3	74.4	0	0	0	109.2
315	E	29.3	Very low	29.3	Very low	190 Å²	190	161.1 Å²	161.1	89%	0.888	80%	0.8	S	S	*	*			trans	-106.4	114.8	159.7	-70.6	-152.1	140.8	0	0	110.3	Y317	E315-Y317 PolarHBondContact O-N 3.32Å
316	V	27.5	Very low	29.4	Very low	127 Å²	127	161.7 Å²	161.7	77%	0.77	80%	0.799	S	S	*	*			trans	-86.6	94.1	-179.4	179.5	0	0	0	0	109	N318	V316-N318 PolarHBondContact O-N 3.28Å
317	Y	27.4	Very low	29.7	Very low	207 Å²	207	162.2 Å²	162.2	81%	0.812	80%	0.8	S	S	*	*			trans	-70.3	112.7	177.4	-168.3	-98.1	0	0	0	111.4	E315 P319	E315-Y317 PolarHBondContact O-N 3.32Å; Y317-P319 HydrophobicContact CD1-CB 4.43Å; Y317-P319 HydrophobicContact CE1-CB 4.02Å
318	N	28.7	Very low	29.7	Very low	124 Å²	124	165.2 Å²	165.2	66%	0.663	81%	0.807	S	S	*	*			trans	-109.9	103.8	-177.6	-179.1	14.3	0	0	0	110.5	V316 H320	V316-N318 PolarHBondContact O-N 3.28Å; N318-H320 PolarHBondContact O-N 3.49Å
319	P	29.9	Very low	29.7	Very low	107 Å²	107	165.7 Å²	165.7	70%	0.695	81%	0.81	S	S	*	*			trans	-83.1	44.4	-164.3	35.2	-39	0	0	0	114.1	Y317	Y317-P319 HydrophobicContact CD1-CB 4.43Å; Y317-P319 HydrophobicContact CE1-CB 4.02Å
320	H	26.9	Very low	29.6	Very low	154 Å²	154	163.2 Å²	163.2	71%	0.713	81%	0.807	S	S	*	*			trans	-121.2	7	-163.3	-143.3	-59.9	0	0	0	116.9	N318	N318-H320 PolarHBondContact O-N 3.49Å
321	E	31.1	Very low	30	Very low	189 Å²	189	164.8 Å²	164.8	88%	0.883	81%	0.808	S	S	*	*	S	Bend	trans	-116.4	-10	-172	-143.1	165.3	-161.3	0	0	116.6
322	E	31.9	Very low	30.2	Very low	183 Å²	183	165.2 Å²	165.2	86%	0.855	82%	0.815	S	S	*	*	S	Bend	trans	-91.1	-5.5	179.7	-144.2	-177	178.7	0	0	114.7	A324	E322-A324 PolarHBondContact O-N 3.08Å
323	Y	30.9	Very low	30.1	Very low	216 Å²	216	161.2 Å²	161.2	85%	0.847	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	10.7	-170.8	-141.4	-93.4	0	0	0	115.5
324	A	29.5	Very low	30.1	Very low	92 Å²	92	160.8 Å²	160.8	76%	0.76	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	4.1	-166.7	0	0	0	0	0	115.7	E322	E322-A324 PolarHBondContact O-N 3.08Å
325	K	32.4	Very low	30.1	Very low	198 Å²	198	156.2 Å²	156.2	86%	0.861	81%	0.806	S	S	*	*	S	Bend	trans	-125.1	6.5	-169.9	-99.2	-171.9	175.9	-176.3	0	118.8
326	K	35.1	Very low	30.1	Very low	208 Å²	208	156.7 Å²	156.7	90%	0.904	80%	0.801	S	S	*	*			trans	-129	24.2	174.3	-78.6	-171.4	174.1	178.4	0	115.6	F328	K326-F328 VanDerWaalsContact C-N 3.27Å; K326-F328 PolarHBondContact O-N 3.01Å
327	Q	33.7	Very low	30	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	80%	0.802	S	S	*	*			trans	-89	44.4	167	-78	-159.6	-8.2	0	0	113.4
328	F	28.8	Very low	30.1	Very low	191 Å²	191	158.1 Å²	158.1	84%	0.838	80%	0.803	S	S	*	*	S	Bend	trans	-154.3	98.7	163	-99.3	-76.7	0	0	0	107.9	K326	K326-F328 VanDerWaalsContact C-N 3.27Å; K326-F328 PolarHBondContact O-N 3.01Å
329	D	29.9	Very low	30.1	Very low	165 Å²	165	159.8 Å²	159.8	88%	0.882	80%	0.802	S	S	*	*			trans	166.2	58.4	147.5	-83.5	-16.2	0	0	0	110.6
330	S	31.9	Very low	30.1	Very low	123 Å²	123	161.8 Å²	161.8	86%	0.86	81%	0.806	S	S	*	*			trans	-112.7	38.2	171.2	51.9	0	0	0	0	111.5
331	K	33.3	Very low	30.3	Very low	181 Å²	181	163.2 Å²	163.2	79%	0.787	81%	0.811	S	S	*	*	S	Bend	trans	-148.7	69.1	177.4	-88.5	-170.7	174.7	177.7	0	112.1
332	L	32.4	Very low	30.2	Very low	167 Å²	167	158.1 Å²	158.1	87%	0.874	80%	0.801	S	S	*	*			trans	178.1	118.6	147.5	-99.7	162.9	0	0	0	107.2
333	G	25.5	Very low	30.1	Very low	74 Å²	74	155.6 Å²	155.6	76%	0.763	80%	0.798	S	S	*	*			trans	-95.3	118.3	173.3	0	0	0	0	0	110.3
334	I	31	Very low	30	Very low	132 Å²	132	153.1 Å²	153.1	68%	0.677	79%	0.794	S	S	*	*			trans	-156	133.8	157.3	-89.8	137.2	0	0	0	104.8	Y336	I334-Y336 HydrophobicContact CG2-CD2 4.14Å; I334-Y336 HydrophobicContact CG2-CE2 3.63Å
335	G	24.4	Very low	30.1	Very low	72 Å²	72	156.3 Å²	156.3	74%	0.742	80%	0.797	S	S	*	*			trans	-78.8	152.6	178.6	0	0	0	0	0	112.2
336	Y	29.3	Very low	29.9	Very low	200 Å²	200	155.5 Å²	155.5	78%	0.784	80%	0.796	S	S	*	*			trans	-135.1	124.1	170.9	-85.4	-81	0	0	0	111.2	I334	I334-Y336 HydrophobicContact CG2-CD2 4.14Å; I334-Y336 HydrophobicContact CG2-CE2 3.63Å
337	N	26.8	Very low	29.8	Very low	150 Å²	150	153.6 Å²	153.6	80%	0.802	79%	0.79	S	S	*	*			trans	-71.5	133.4	166	-72.7	-26	0	0	0	109.4	Y339	N337-Y339 PolarHBondContact O-N 3.02Å
338	Y	29.5	Very low	29.8	Very low	213 Å²	213	153.4 Å²	153.4	84%	0.835	79%	0.787	S	S	*	*			trans	-86.8	79	170.4	-86.7	-83.2	0	0	0	111
339	Y	27.1	Very low	29.8	Very low	159 Å²	159	152.8 Å²	152.8	62%	0.624	79%	0.787	S	S	*	*			trans	-99.9	102.3	157.8	-97	-91.5	0	0	0	108.7	R110 N337 K341	R110-Y339 VanDerWaalsContact CD-OH 3.22Å; R110-Y339 WeakPolarHBondContact CD-OH 3.39Å; N337-Y339 PolarHBondContact O-N 3.02Å; Y339-K341 PolarHBondContact O-N 2.93Å
340	N	30.7	Very low	30.2	Very low	149 Å²	149	152 Å²	152	80%	0.797	78%	0.782	S	S	*	*			trans	-90.5	94.8	167.5	-81.5	-20.4	0	0	0	108.7	A342	N340-A342 PolarHBondContact O-N 2.86Å
341	K	30.6	Very low	30.5	Very low	184 Å²	184	152.7 Å²	152.7	80%	0.8	78%	0.776	S	S	*	*			trans	-75.9	118.8	169.8	-169.3	171.5	-175.5	176.4	0	108.6	Y339	Y339-K341 PolarHBondContact O-N 2.93Å
342	A	29.4	Very low	30.5	Very low	82 Å²	82	149.9 Å²	149.9	68%	0.678	77%	0.769	S	S	*	*			trans	-65.2	147.5	171	0	0	0	0	0	110.2	N340	N340-A342 PolarHBondContact O-N 2.86Å
343	V	30.5	Very low	30.5	Very low	130 Å²	130	149.1 Å²	149.1	79%	0.788	77%	0.766	S	S	*	*			trans	-109	104.6	169.8	176.5	0	0	0	0	106.5	I345	V343-I345 HydrophobicContact CG1-CG1 4.33Å
344	E	29	Very low	30.7	Very low	165 Å²	165	148.7 Å²	148.7	77%	0.771	76%	0.761	S	S	*	*			trans	-81.7	137.9	168.5	-69.1	177.1	146.3	0	0	108.7
345	I	30.8	Very low	30.9	Very low	159 Å²	159	148.2 Å²	148.2	82%	0.815	77%	0.765	S	S	*	*			trans	-119.9	93.3	170.9	-59	176.5	0	0	0	105.4	V343	V343-I345 HydrophobicContact CG1-CG1 4.33Å
346	E	27.9	Very low	31.2	Very low	180 Å²	180	151 Å²	151	84%	0.841	76%	0.763	S	S	*	*			trans	-79.7	130.9	158.8	-62.5	-172.5	133.4	0	0	108.1
347	E	33.5	Very low	31.3	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	76%	0.761	S	S	*	*				-165.4	141.5	127.7	-115.1	-171.5	175.8	0	0	112.8
348	F	33.1	Very low	31.5	Very low	178 Å²	178	149.7 Å²	149.7	78%	0.781	76%	0.759	S	S	*	*			trans	64.2	116	164.8	-78.2	-78.8	0	0	0	122.1
349	E	30.3	Very low	31.3	Very low	178 Å²	178	147 Å²	147	83%	0.832	76%	0.758	S	S	*	*			trans	-66.9	154.3	162.3	-45.6	169.9	114.9	0	0	111.4
350	D	37.5	Very low	31.5	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	76%	0.761	S	S	*	*			trans	-159.4	112	134.3	-126.6	-21.5	0	0	0	113.7
351	L	37.4	Very low	31.3	Very low	138 Å²	138	142 Å²	142	72%	0.723	76%	0.755	S	S	*	*			trans	40.2	127.2	145	-66.7	172.3	0	0	0	123.5
352	N	33.5	Very low	31.3	Very low	121 Å²	121	141.3 Å²	141.3	65%	0.647	76%	0.755	S	S	*	*			trans	82.3	113.8	137.1	-75.4	-43	0	0	0	122.3
353	N	33.2	Very low	31.2	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	75%	0.752	S	S	*	*				65.3	105.9	129.3	-57.2	-30.3	0	0	0	120.7
354	G	30.3	Very low	31.1	Very low	65 Å²	65	147.1 Å²	147.1	67%	0.67	76%	0.757	S	S	*	*				132.4	125.5	103.1	0	0	0	0	0	119.1
355	T	33.9	Very low	30.8	Very low	123 Å²	123	147.6 Å²	147.6	76%	0.755	76%	0.763	S	S	*	*			trans	62.4	109.9	149.7	54.8	0	0	0	0	120.9
356	N	30.4	Very low	30.6	Very low	129 Å²	129	151.4 Å²	151.4	69%	0.69	77%	0.768	S	S	*	*				55.7	113.1	126.4	-45	-18.2	0	0	0	120
357	H	31.6	Very low	30.4	Very low	161 Å²	161	149.7 Å²	149.7	75%	0.745	77%	0.77	S	S	*	*				176.6	153.7	89.7	-98.6	-69.7	0	0	0	114.6
358	Q	32.2	Very low	30.1	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	77%	0.768	S	S	*	*			trans	43.3	105.3	153.1	-102.1	57.2	19.7	0	0	121.6
359	L	24.4	Very low	29.7	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	77%	0.77	S	S	*	*			trans	-64.1	167.7	133	-83.8	167.3	0	0	0	110.3
360	P	31.9	Very low	29.4	Very low	106 Å²	106	145.5 Å²	145.5	69%	0.688	77%	0.771	S	S	*	*			cis	-144.5	-179.7	29.2	40.6	-19.2	0	0	0	118.2
361	S	25.9	Very low	28.9	Very low	97 Å²	97	145.7 Å²	145.7	68%	0.678	77%	0.767	S	S	*	*			trans	41.5	121.3	146.1	62.4	0	0	0	0	120.8
362	E	30.6	Very low	28.3	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	77%	0.768	S	S	*	*				-170.9	132	96.2	-102.5	-154.4	-142.7	0	0	115.4
363	T	27.7	Very low	28	Very low	100 Å²	100	152.1 Å²	152.1	61%	0.613	78%	0.778	S	S	*	*			trans	60.2	130.3	131.7	-39.7	0	0	0	0	123
364	R	28	Very low	27.5	Very low	234 Å²	234	152.4 Å²	152.4	88%	0.883	78%	0.778	S	S	*	*			trans	77.6	95.1	153.7	-91.2	167.5	172.8	164.9	-1.4	120.6
365	L	23	Very low	27.2	Very low	174 Å²	174	155.2 Å²	155.2	91%	0.911	78%	0.783	S	S	*	*			trans	-53.6	144.7	151.5	-65	166	0	0	0	112.6
366	R	26.8	Very low	27.1	Very low	240 Å²	240	157.8 Å²	157.8	91%	0.906	79%	0.786	S	S	*	*			trans	-131.4	126.2	154.2	-79.3	-171	174.9	-131.7	1.6	109
367	T	24.2	Very low	27.1	Very low	144 Å²	144	159.7 Å²	159.7	88%	0.883	79%	0.791	S	S	*	*			trans	-81.4	138.7	175	40.1	0	0	0	0	111.3
368	I	25.3	Very low	27.2	Very low	148 Å²	148	161.5 Å²	161.5	76%	0.759	80%	0.8	S	S	*	*			trans	-136	119.6	169.5	-58	178.9	0	0	0	107.1
369	P	25.6	Very low	27	Very low	125 Å²	125	161.7 Å²	161.7	81%	0.812	80%	0.8	S	S	*	*			trans	-82	142.9	176.4	32.7	-33.2	0	0	0	111.4
370	L	25	Very low	27.4	Very low	163 Å²	163	162.4 Å²	162.4	85%	0.853	80%	0.803	S	S	*	*			trans	-107.1	121	175.1	-82.6	165	0	0	0	111.1
371	E	25.2	Very low	27.2	Very low	152 Å²	152	163.2 Å²	163.2	71%	0.71	80%	0.802	S	S	*	*			trans	-113.7	139.4	157.4	-81.3	-168.5	-171.6	0	0	108.9
372	R	26.1	Very low	27.5	Very low	197 Å²	197	164.8 Å²	164.8	74%	0.743	81%	0.807	S	S	*	*			trans	71.3	138.2	176.4	-49.9	156.2	-157.4	-166.7	4.4	111.5
373	F	27	Very low	27.4	Very low	197 Å²	197	162.4 Å²	162.4	86%	0.864	80%	0.795	S	S	*	*			cis	-134.2	164.1	36.9	-84.2	-102.1	0	0	0	114.3
374	I	23.2	Very low	27.7	Very low	157 Å²	157	164.9 Å²	164.9	81%	0.805	81%	0.805	S	S	*	*			trans	-129.6	130.4	166.2	-59.2	170.5	0	0	0	107
375	T	24	Very low	27.9	Very low	124 Å²	124	162.2 Å²	162.2	76%	0.761	81%	0.807	S	S	*	*			trans	174.6	170.1	142.5	32.1	0	0	0	0	110.8
376	E	30.4	Very low	28.3	Very low	177 Å²	177	160.9 Å²	160.9	83%	0.827	79%	0.794	S	S	*	*			trans	73.5	91.5	174.1	-53.2	-175.2	161	0	0	113.1
377	E	31	Very low	28.5	Very low	168 Å²	168	158 Å²	158	79%	0.785	79%	0.791	S	S	*	*				60	100.4	61.1	-59.3	-166.5	163.8	0	0	114.8
378	Q	32.9	Very low	28.9	Very low	200 Å²	200	160.7 Å²	160.7	94%	0.935	79%	0.793	S	S	*	*			trans	-136.2	129.2	139.8	-72.6	-158.2	-4.3	0	0	110.2
379	H	28.1	Very low	29	Very low	166 Å²	166	158.8 Å²	158.8	77%	0.769	79%	0.793	S	S	*	*			trans	-84	133.1	175.3	-75.5	-97.9	0	0	0	111
380	I	32.7	Very low	29.1	Very low	172 Å²	172	161.2 Å²	161.2	88%	0.882	79%	0.794	S	S	*	*			trans	-124.1	129	145.6	-62.3	-176.6	0	0	0	107.4
381	N	27.6	Very low	29.2	Very low	123 Å²	123	157.8 Å²	157.8	66%	0.658	78%	0.781	S	S	*	*			trans	-134.5	117.5	-172.8	166.5	37	0	0	0	109.2
382	V	32.8	Very low	29.1	Very low	130 Å²	130	159.5 Å²	159.5	79%	0.788	79%	0.791	S	S	*	*			trans	-139.5	113.2	160.1	-174.6	0	0	0	0	108.4
383	E	29.4	Very low	29.2	Very low	119 Å²	119	159.4 Å²	159.4	56%	0.556	79%	0.791	S	S	*	*			trans	-69.2	128.5	168.5	-58	176.4	86.6	0	0	110	K386	E383-K386 WeakPolarHBondContact OE1-CE 3.5Å; E383-K386 IonicContact OE1-NZ 2.68Å; E383-K386 PolarHBondContact OE1-NZ 3.42Å
384	N	32.2	Very low	29.3	Very low	153 Å²	153	156.8 Å²	156.8	82%	0.818	79%	0.786	S	S	*	*			trans	-174.8	94.1	140.7	-98.3	-38.4	0	0	0	112.7
385	L	33.7	Very low	29.5	Very low	178 Å²	178	158.9 Å²	158.9	93%	0.932	79%	0.785	S	S	*	*			trans	177.8	77.1	134.3	-96.1	161.8	0	0	0	108.9
386	K	29.8	Very low	29.6	Very low	145 Å²	145	158.6 Å²	158.6	63%	0.63	79%	0.787	S	S	*	*			trans	-71.3	163.3	166.6	-71.1	164.6	-177.1	159.8	0	109	E383	E383-K386 WeakPolarHBondContact OE1-CE 3.5Å; E383-K386 IonicContact OE1-NZ 2.68Å; E383-K386 PolarHBondContact OE1-NZ 3.42Å
387	H	32.3	Very low	29.6	Very low	181 Å²	181	156 Å²	156	84%	0.838	78%	0.779	S	S	*	*			trans	94.3	38.9	174	-49.4	-70.6	0	0	0	119.4
388	Q	32	Very low	29.5	Very low	199 Å²	199	153.1 Å²	153.1	93%	0.93	78%	0.777	S	S	*	*			trans	-141.2	57	143.5	-138.1	171.3	16.5	0	0	113.9
389	S	27.6	Very low	29.3	Very low	109 Å²	109	152.1 Å²	152.1	76%	0.762	77%	0.773	S	S	*	*			trans	-94.8	108.4	173.3	57.8	0	0	0	0	111.7
390	Q	26.9	Very low	29.6	Very low	175 Å²	175	150 Å²	150	82%	0.818	78%	0.776	S	S	*	*			trans	-108.2	133.9	147.7	-67.5	-157.4	21.3	0	0	108.5
391	P	28.7	Very low	29.4	Very low	92 Å²	92	149.9 Å²	149.9	60%	0.597	78%	0.777	S	S	*	*			trans	-77.7	158.1	-179.3	33.3	-35.6	0	0	0	110.9	R393	P391-R393 PolarHBondContact O-N 3.47Å; P391-R393 VanDerWaalsContact O-N 3.17Å
392	M	22.5	Very low	29.5	Very low	187 Å²	187	149.4 Å²	149.4	92%	0.921	78%	0.778	S	S	*	*			trans	-52	124.1	158.4	-66.1	-174.7	73	0	0	108.9
393	R	28.7	Very low	29.4	Very low	195 Å²	195	152.6 Å²	152.6	74%	0.736	78%	0.781	S	S	*	*			trans	-119.1	127.7	161.6	-98.2	-176.5	-72.5	-146.2	-1.4	108.2	P391 Y395	P391-R393 PolarHBondContact O-N 3.47Å; P391-R393 VanDerWaalsContact O-N 3.17Å; R393-Y395 PolarHBondContact O-N 3.1Å
394	N	28.3	Very low	29.4	Very low	143 Å²	143	154.6 Å²	154.6	77%	0.765	79%	0.792	S	S	*	*			trans	-52.9	124.1	-176.9	-47.4	-15.3	0	0	0	110.3
395	Y	27.5	Very low	29.2	Very low	200 Å²	200	153.7 Å²	153.7	78%	0.784	79%	0.788	S	S	*	*			trans	-101	88.5	150.5	-101.1	-81.9	0	0	0	107.6	R393 D397	R393-Y395 PolarHBondContact O-N 3.1Å; Y395-D397 WeakPolarHBondContact CD1-OD1 3.29Å; Y395-D397 VanDerWaalsContact CD1-OD2 3.28Å; Y395-D397 WeakPolarHBondContact CD1-OD2 3.46Å
396	C	26.4	Very low	29	Very low	119 Å²	119	152.9 Å²	152.9	80%	0.804	78%	0.783	S	S	*	*			trans	-92.2	89.5	153.7	-69.7	0	0	0	0	105.7
397	D	31.2	Very low	29.2	Very low	122 Å²	122	151.1 Å²	151.1	65%	0.652	78%	0.784	S	S	*	*			trans	-66.7	147	168.5	-73	-57.6	0	0	0	110.3	Y395	Y395-D397 WeakPolarHBondContact CD1-OD1 3.29Å; Y395-D397 VanDerWaalsContact CD1-OD2 3.28Å; Y395-D397 WeakPolarHBondContact CD1-OD2 3.46Å
398	S	28.8	Very low	29.2	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	78%	0.781	S	S	*	*	S	Bend	trans	-57.8	146.1	171.1	43.2	0	0	0	0	110.4
399	E	29	Very low	29.4	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	77%	0.774	S	S	*	*	S	Bend	cis	-138.3	129.8	41.5	-53.7	-174.6	118.6	0	0	114.4
400	S	32.4	Very low	29.9	Very low	120 Å²	120	146.9 Å²	146.9	84%	0.839	77%	0.774	S	S	*	*			trans	171.4	5.5	155	41.1	0	0	0	0	114.1	V402	S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 PolarHBondContact O-N 3Å
401	L	30.5	Very low	30.5	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	77%	0.774	S	S	*	*	S	Bend	trans	-69.4	89.8	169.8	-76.6	-179.9	0	0	0	111.9	K403	L401-K403 PolarHBondContact O-N 3.43Å
402	V	29	Very low	30.9	Very low	113 Å²	113	148.8 Å²	148.8	69%	0.685	78%	0.784	S	S	*	*			trans	25.8	87.3	142.8	-167.4	0	0	0	0	114.8	S400 M404	S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 PolarHBondContact O-N 3Å; V402-M404 HydrophobicContact CG1-CB 4.5Å; V402-M404 HydrophobicContact CG1-CG 3.73Å; V402-M404 PolarHBondContact O-N 3.38Å
403	K	30.7	Very low	31.7	Very low	197 Å²	197	148.1 Å²	148.1	86%	0.857	78%	0.778	S	S	*	*			trans	-67	80.2	154.1	-87.7	178.9	175.8	167.2	0	109.1	L401 N405	L401-K403 PolarHBondContact O-N 3.43Å; K403-N405 PolarHBondContact O-N 3.47Å; K403-N405 VanDerWaalsContact O-N 3.13Å
404	M	28.1	Very low	32.1	Very low	160 Å²	160	145 Å²	145	79%	0.788	78%	0.776	S	S	*	*			trans	-65.3	107.2	152	-80.7	-152.8	-69.7	0	0	106.2	V402 I406	V402-M404 HydrophobicContact CG1-CB 4.5Å; V402-M404 HydrophobicContact CG1-CG 3.73Å; V402-M404 PolarHBondContact O-N 3.38Å; M404-I406 PolarHBondContact O-N 3.47Å
405	N	29.8	Very low	32.5	Very low	134 Å²	134	147.9 Å²	147.9	72%	0.717	78%	0.777	S	S	*	*			trans	-61.9	100.3	175.4	-85.6	-8.8	0	0	0	109.4	K403 V407	K403-N405 PolarHBondContact O-N 3.47Å; K403-N405 VanDerWaalsContact O-N 3.13Å; N405-V407 HydrophobicContact CB-CG2 4.3Å; N405-V407 PolarHBondContact O-N 3.31Å
406	I	29	Very low	33.1	Very low	161 Å²	161	143.8 Å²	143.8	83%	0.826	77%	0.772	S	S	*	*			trans	-73.3	79.5	160.3	-55.5	178.1	0	0	0	106.4	M404	M404-I406 PolarHBondContact O-N 3.47Å
407	V	34.8	Very low	33.5	Very low	108 Å²	108	149.4 Å²	149.4	66%	0.655	78%	0.777	S	S	*	*			trans	-81.4	119.8	159.3	173.1	0	0	0	0	106.3	N405 D409	N405-V407 HydrophobicContact CB-CG2 4.3Å; N405-V407 PolarHBondContact O-N 3.31Å; V407-D409 PolarHBondContact O-N 3.44Å
408	S	31.6	Very low	33.6	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	78%	0.779	S	S	*	*			trans	-73.2	118.2	168.1	-55.2	0	0	0	0	108.9
409	D	36.4	Very low	33.9	Very low	148 Å²	148	157 Å²	157	79%	0.791	78%	0.78	S	S	*	*			trans	-146.8	147.3	163.2	-118.8	-37.8	0	0	0	109.1	V407	V407-D409 PolarHBondContact O-N 3.44Å
410	D	37.6	Very low	34.3	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	78%	0.778	S	S	*	*			trans	-87.5	159.8	-163.5	-72.6	-54.6	0	0	0	114.5
411	N	38.7	Very low	34	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	78%	0.775	S	S	*	*			trans	75.2	141.9	179.3	-43.8	-90.8	0	0	0	113.6
412	L	37.2	Very low	34.3	Very low	153 Å²	153	151.3 Å²	151.3	80%	0.801	77%	0.765	S	S	*	*			cis	-148.8	163.4	23.6	-170.2	62.7	0	0	0	111.5
413	E	40.9	Very low	34.6	Very low	173 Å²	173	150.4 Å²	150.4	81%	0.808	76%	0.764	S	S	*	*			trans	-63.3	143.2	174.1	-56.2	161.9	124.8	0	0	110.7
414	D	36.1	Very low	34.8	Very low	130 Å²	130	148.3 Å²	148.3	70%	0.695	76%	0.761	S	S	*	*				-164.7	142.1	75.6	-152.7	13.5	0	0	0	117.3
415	R	36.7	Very low	35.4	Very low	204 Å²	204	148.1 Å²	148.1	77%	0.77	76%	0.762	S	S	*	*			trans	18.4	112.1	152.5	-75.2	153	125.2	164.4	6.3	124.5
416	T	39.4	Very low	35.6	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.693	76%	0.759	S	S	*	*				45.2	129.8	118.7	64.5	0	0	0	0	122.5
417	R	36.1	Very low	36	Very low	237 Å²	237	142.8 Å²	142.8	89%	0.894	76%	0.76	S	S	*	*				-163.1	95.4	113.3	-163.2	152.6	-169.4	155.6	1.2	116.3
418	W	32.4	Very low	36.4	Very low	184 Å²	184	146.7 Å²	146.7	70%	0.697	77%	0.768	S	S	*	*			trans	30.7	119.2	141.5	-57.7	87.5	0	0	0	123.2
419	R	34.7	Very low	36.5	Very low	204 Å²	204	150.3 Å²	150.3	77%	0.77	78%	0.775	S	S	*	*				43.3	153.4	125.7	-43.9	-170.1	-168.7	-145	1.2	120.1
420	T	37.8	Very low	36.4	Very low	130 Å²	130	150.6 Å²	150.6	80%	0.798	78%	0.776	S	S	*	*			cis	-163.5	157.5	28.6	-29.1	0	0	0	0	111.6
421	C	25.9	Very low	36.4	Very low	115 Å²	115	153.7 Å²	153.7	78%	0.777	78%	0.783	S	S	*	*			trans	-90.9	-169.8	164	-48.2	0	0	0	0	110
422	P	38.3	Very low	36.4	Very low	107 Å²	107	152.7 Å²	152.7	70%	0.695	78%	0.778	S	S	*	*			cis	-144.6	178.4	1.3	40.3	-18.5	0	0	0	118.2
423	S	34.5	Very low	36.2	Very low	95 Å²	95	153.8 Å²	153.8	66%	0.664	78%	0.783	S	S	*	*			trans	66.4	139.4	136.2	69	0	0	0	0	125.2
424	L	35.2	Very low	35.8	Very low	152 Å²	152	154.2 Å²	154.2	80%	0.796	78%	0.778	S	S	*	*			trans	92.3	126.3	145.1	-73.8	162.3	0	0	0	122.4
425	I	41	Very low	35.6	Very low	157 Å²	157	155.4 Å²	155.4	81%	0.805	78%	0.781	S	S	*	*			trans	67.9	108.7	147.6	-58	161.5	0	0	0	119
426	G	34	Very low	35.5	Very low	64 Å²	64	153.3 Å²	153.3	66%	0.66	79%	0.785	S	S	*	*				114.1	122.6	119.8	0	0	0	0	0	119
427	S	36.4	Very low	35.4	Very low	119 Å²	119	152.8 Å²	152.8	83%	0.832	79%	0.787	S	S	*	*			trans	83.8	132.3	156.6	-47.5	0	0	0	0	119.7
428	K	43.9	Very low	35.5	Very low	190 Å²	190	147.5 Å²	147.5	83%	0.826	79%	0.786	S	S	*	*			trans	63.4	103.8	156.8	-68.9	178.6	177.7	176	0	118.8
429	M	32.7	Very low	36	Very low	187 Å²	187	144 Å²	144	92%	0.921	79%	0.785	S	S	*	*				40.4	100.3	124.9	-60.3	177	-178.8	0	0	117.5
430	D	34.2	Very low	36.3	Very low	154 Å²	154	139 Å²	139	82%	0.824	78%	0.781	S	S	*	*			trans	-137.2	130	150.8	-124.3	-38	0	0	0	111.5	N432	D430-N432 PolarHBondContact O-N 3.17Å
431	K	38	Very low	36.4	Very low	206 Å²	206	141.2 Å²	141.2	90%	0.896	78%	0.784	S	S	*	*			trans	-94.7	59	-177.6	-72.8	-178.5	175.6	178.3	0	110.4
432	N	38.4	Very low	37.2	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	78%	0.777	S	S	*	*			trans	-153.5	79.4	178.4	-95.9	-33.8	0	0	0	113.2	D430	D430-N432 PolarHBondContact O-N 3.17Å
433	I	33.6	Very low	37.4	Very low	177 Å²	177	142.4 Å²	142.4	91%	0.908	78%	0.78	S	S	*	*			trans	-127.8	63.8	152.4	-50.1	-178.4	0	0	0	108
434	Y	32.5	Very low	37.6	Very low	181 Å²	181	143.5 Å²	143.5	71%	0.71	79%	0.785	S	S	*	*	S	Bend	trans	-141.2	135.8	166.1	-138.2	-92.7	0	0	0	106.9
435	M	31.9	Very low	37.9	Very low	156 Å²	156	142 Å²	142	77%	0.768	78%	0.782	S	S	*	*			trans	64.8	105.5	-164.2	-42.8	-53.9	-176.7	0	0	114.4
436	N	34.1	Very low	38.2	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	79%	0.787	S	S	*	*			trans	-174.8	42.5	137.2	-93.8	-17.4	0	0	0	112.9
437	S	37.9	Very low	38.8	Very low	103 Å²	103	150.7 Å²	150.7	72%	0.72	79%	0.792	S	S	*	*			trans	-120.8	94.4	158.9	-64.7	0	0	0	0	107.5	T439	S437-T439 PolarHBondContact O-N 2.81Å
438	S	38.4	Very low	39.3	Very low	126 Å²	126	149.5 Å²	149.5	88%	0.881	78%	0.784	S	S	*	*			trans	-76.2	41.8	-176.5	-55.6	0	0	0	0	113.2
439	T	43.1	Very low	40	Very low	109 Å²	109	147.5 Å²	147.5	67%	0.669	78%	0.781	S	S	*	*			trans	-77.3	133	168.6	-48.9	0	0	0	0	108.1	S437 M441	S437-T439 PolarHBondContact O-N 2.81Å; T439-M441 PolarHBondContact O-N 3.15Å
440	S	39.9	Very low	41.9	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	78%	0.775	S	S	*	*			trans	-53.7	111.9	179.7	177.2	0	0	0	0	110.8	T442	S440-T442 PolarHBondContact O-N 2.91Å
441	M	40.9	Very low	44.1	Very low	177 Å²	177	143.9 Å²	143.9	87%	0.872	76%	0.757	S	S	*	*			trans	-73.5	69.6	168	-71.3	-70.4	175.1	0	0	109	T439 L443	T439-M441 PolarHBondContact O-N 3.15Å; M441-L443 PolarHBondContact O-N 2.96Å
442	T	42.4	Very low	46.4	Very low	101 Å²	101	136.9 Å²	136.9	62%	0.62	73%	0.732	S	S	*	*			trans	-54.4	123.4	160.2	-46.2	0	0	0	0	106.3	S440	S440-T442 PolarHBondContact O-N 2.91Å
443	L	42.7	Very low	48.9	Very low	147 Å²	147	139.1 Å²	139.1	77%	0.77	73%	0.731	S	S	*	*			trans	-48.8	141.3	169.8	-72.6	161.9	0	0	0	108.4	M441 T445	M441-L443 PolarHBondContact O-N 2.96Å; L443-T445 PolarHBondContact O-N 3.27Å
444	P	39	Very low	51.8	Low	117 Å²	117	130.8 Å²	130.8	76%	0.76	69%	0.688	S	S	*	*			trans	-55.6	111	173.5	23.7	-32.6	0	0	0	107.7	R446	P444-R446 PolarHBondContact O-N 3.08Å
445	T	41.8	Very low	54.5	Low	121 Å²	121	126.6 Å²	126.6	74%	0.742	68%	0.675	S	S	*	*			trans	-70.2	84.8	-168.9	-37	0	0	0	0	108.3	L443 E447	L443-T445 PolarHBondContact O-N 3.27Å; T445-E447 VanDerWaalsContact C-N 3.25Å; T445-E447 PolarHBondContact O-N 3.45Å
446	R	45.7	Very low	57.3	Low	237 Å²	237	122.2 Å²	122.2	89%	0.894	66%	0.664	S	S	*	*			trans	-9.9	79.7	-165.2	-171.9	178.5	175.8	144	-1.6	113.1	P444 S448	P444-R446 PolarHBondContact O-N 3.08Å; R446-S448 PolarHBondContact O-N 3.03Å
447	E	46.7	Very low	60	Low	166 Å²	166	117.1 Å²	117.1	78%	0.776	64%	0.64	S	S	*	*			trans	-56.8	132.5	171.2	-68.8	-178.2	162.2	0	0	106	T445 I449	T445-E447 VanDerWaalsContact C-N 3.25Å; T445-E447 PolarHBondContact O-N 3.45Å; E447-I449 PolarHBondContact O-N 3.23Å
448	S	47.2	Very low	62.5	Low	94 Å²	94	115.4 Å²	115.4	66%	0.657	63%	0.632	S	S	*	*			trans	-67.8	88.5	175	43.7	0	0	0	0	107.3	R446 E450	R446-S448 PolarHBondContact O-N 3.03Å; S448-E450 WeakPolarHBondContact O-CG 3.44Å; S448-E450 PolarHBondContact O-N 2.95Å
449	I	59.9	Low	65	Low	149 Å²	149	115.8 Å²	115.8	76%	0.764	62%	0.62	S	S	*	*			trans	-57.6	96.1	157.5	-59.4	173.9	0	0	0	104.2	E447 Q451	E447-I449 PolarHBondContact O-N 3.23Å; I449-Q451 VanDerWaalsContact C-N 3.26Å; I449-Q451 WeakPolarHBondContact O-CG 3.31Å; I449-Q451 PolarHBondContact O-N 2.92Å
450	E	72.5	Confident	67.3	Low	169 Å²	169	112.9 Å²	112.9	79%	0.79	60%	0.602	S	S	*	*			trans	-69.2	91	-178.1	-60.8	-162.1	162	0	0	107	S448 P452	S448-E450 WeakPolarHBondContact O-CG 3.44Å; S448-E450 PolarHBondContact O-N 2.95Å; E450-P452 VanDerWaalsContact O-N 3.15Å
451	Q	80.8	Confident	69.8	Low	96 Å²	96	108.2 Å²	108.2	45%	0.449	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-58.9	122.9	-173.3	-54.7	-177.9	-94.3	0	0	107.9	I449 R453 V460	I449-Q451 VanDerWaalsContact C-N 3.26Å; I449-Q451 WeakPolarHBondContact O-CG 3.31Å; I449-Q451 PolarHBondContact O-N 2.92Å; Q451-R453 PolarHBondContact O-N 2.84Å; Q451-V460 HydrophobicContact CB-CG1 3.53Å; Q451-V460 HydrophobicContact CB-CG2 4.4Å; Q451-V460 HydrophobicContact CG-CG1 4.33Å
452	P	86	Confident	72.1	Confident	59 Å²	59	106.4 Å²	106.4	38%	0.383	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-59.9	133.9	-170	23.6	-33.7	0	0	0	109.4	E450 V461 V473	E450-P452 VanDerWaalsContact O-N 3.15Å; P452-V461 WeakPolarHBondContact O-CB 3.27Å; P452-V461 PolarHBondContact O-N 2.99Å; P452-V473 HydrophobicContact CB-CB 4.12Å; P452-V473 HydrophobicContact CB-CG1 4.1Å; P452-V473 HydrophobicContact CB-CG2 3.95Å; P452-V473 HydrophobicContact CG-CG1 4.43Å
453	R	90.8	Very high	74.2	Confident	178 Å²	178	107.1 Å²	107.1	67%	0.672	56%	0.56	S	S	*	*	B	Isolated β-bridge	trans	-96.3	141.6	179.6	-63.4	-174.9	-173.2	-161.1	5.8	110.2	Q451 H455 A458 E459	Q451-R453 PolarHBondContact O-N 2.84Å; R453-H455 PolarHBondContact O-N 2.92Å; R453-A458 WeakPolarHBondContact CD-O 3.3Å; R453-E459 CarbonylContact C-O 3.56Å; R453-E459 VanDerWaalsContact CA-O 3.26Å; R453-E459 WeakPolarHBondContact CA-O 3.19Å
454	C	93.5	Very high	76.4	Confident	2 Å²	2	107 Å²	107	1%	0.014	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-66.4	124.4	178.2	179.3	0	0	0	0	109.2	A456 C457 A458 E459 V461 V473 H475 C478	C454-A456 PolarHBondContact O-N 3.32Å; C454-C457 WeakPolarHBondContact CB-SG 3.43Å; C454-C457 PolarHBondContact O-N 3.15Å; C454-A458 WeakPolarHBondContact O-CA 3.15Å; C454-A458 PolarHBondContact O-N 3.15Å; C454-E459 PolarHBondContact N-O 2.85Å; C454-V461 HydrophobicContact CB-CG2 3.55Å; C454-V461 VanDerWaalsContact N-CG2 3.35Å; C454-V473 CarbonylContact C-O 3.58Å; C454-V473 WeakPolarHBondContact CA-O 3.42Å; C454-H475 VanDerWaalsContact CB-CE1 3.48Å; C454-H475 WeakPolarHBondContact CB-CE1 3.27Å; C454-H475 WeakPolarHBondContact CB-ND1 2.98Å; C454-H475 PolarHBondContact SG-ND1 2.93Å; C454-H475 VanDerWaalsContact SG-ND1 3.39Å; C454-C478 WeakPolarHBondContact SG-CB 3.42Å
455	H	89.5	Confident	78.7	Confident	93 Å²	93	105.5 Å²	105.5	43%	0.431	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.1	-179.4	-171.7	68.9	0	0	0	112.7	R453 R472 V473 Y474	R453-H455 PolarHBondContact O-N 2.92Å; H455-R472 HydrophobicContact CB-CB 4.37Å; H455-R472 PolarHBondContact CE1-NH1 3.15Å; H455-R472 PolarHBondContact NE2-NH1 3.46Å; H455-V473 PolarHBondContact N-O 3.11Å; H455-Y474 HydrophobicContact CB-CD1 4.28Å; H455-Y474 HydrophobicContact CB-CE1 3.75Å; H455-Y474 HydrophobicContact CB-CE2 4.48Å
456	A	90	Very high	80.9	Confident	64 Å²	64	101.5 Å²	101.5	53%	0.529	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.4	-177.9	0	0	0	0	0	115.5	C454 Y474 C478	C454-A456 PolarHBondContact O-N 3.32Å; A456-Y474 HydrophobicContact CB-CD1 3.94Å; A456-Y474 HydrophobicContact CB-CE1 4.14Å; A456-C478 HydrophobicContact CB-CB 4.2Å
457	C	92.3	Very high	83	Confident	53 Å²	53	91.2 Å²	91.2	36%	0.358	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-2.9	178.5	69.9	0	0	0	0	115.1	C454 E459 H475	C454-C457 WeakPolarHBondContact CB-SG 3.43Å; C454-C457 PolarHBondContact O-N 3.15Å; C457-E459 PolarHBondContact O-N 3.45Å; C457-H475 VanDerWaalsContact SG-CE1 3.56Å
458	A	90.4	Very high	84.9	Confident	67 Å²	67	90.4 Å²	90.4	55%	0.554	48%	0.48	S	S	*	.			trans	59.6	0.5	-176.2	0	0	0	0	0	116.8	R453 C454	R453-A458 WeakPolarHBondContact CD-O 3.3Å; C454-A458 WeakPolarHBondContact O-CA 3.15Å; C454-A458 PolarHBondContact O-N 3.15Å
459	E	91.2	Very high	86.6	Confident	134 Å²	134	86.1 Å²	86.1	63%	0.626	45%	0.45	S	S	*	.	S	Bend	trans	-75.2	163.5	173.7	-58.8	-169	148.6	0	0	112.4	R453 C454 C457	R453-E459 CarbonylContact C-O 3.56Å; R453-E459 VanDerWaalsContact CA-O 3.26Å; R453-E459 WeakPolarHBondContact CA-O 3.19Å; C454-E459 PolarHBondContact N-O 2.85Å; C457-E459 PolarHBondContact O-N 3.45Å
460	V	91.3	Very high	87.6	Confident	47 Å²	47	84.7 Å²	84.7	29%	0.285	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-70.1	133.4	177.7	171.4	0	0	0	0	110.8	Q451 H475	Q451-V460 HydrophobicContact CB-CG1 3.53Å; Q451-V460 HydrophobicContact CB-CG2 4.4Å; Q451-V460 HydrophobicContact CG-CG1 4.33Å; V460-H475 PolarHBondContact O-NE2 2.8Å
461	V	90.8	Very high	88.1	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.006	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-99.3	123.1	175.2	-170.7	0	0	0	0	109.2	P452 C454 E465 A466 V473	P452-V461 WeakPolarHBondContact O-CB 3.27Å; P452-V461 PolarHBondContact O-N 2.99Å; C454-V461 HydrophobicContact CB-CG2 3.55Å; C454-V461 VanDerWaalsContact N-CG2 3.35Å; V461-E465 HydrophobicContact CG1-CB 4.49Å; V461-A466 VanDerWaalsContact CG1-CA 3.49Å; V461-A466 HydrophobicContact CG1-CB 3.82Å; V461-V473 HydrophobicContact CB-CG1 4.17Å; V461-V473 HydrophobicContact CG1-CG1 4.12Å; V461-V473 HydrophobicContact CG2-CG1 4.16Å
462	Y	90.6	Very high	88.4	Confident	139 Å²	139	80.1 Å²	80.1	55%	0.545	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-78.4	145.3	172.2	-66.1	-79.5	0	0	0	110.2	L464 E465 A466	Y462-L464 PolarHBondContact O-N 2.79Å; Y462-E465 PolarHBondContact O-N 2.76Å; Y462-A466 PolarHBondContact O-N 3.43Å; Y462-A466 VanDerWaalsContact O-N 3.14Å
463	P	86.9	Confident	88.7	Confident	117 Å²	117	78.4 Å²	78.4	76%	0.76	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.2	-175.9	-29.6	36.2	0	0	0	115.9	E465	P463-E465 VanDerWaalsContact C-N 3.33Å
464	L	87.6	Confident	88.8	Confident	145 Å²	145	70.1 Å²	70.1	76%	0.759	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.6	176.1	-173.6	61.5	0	0	0	113.3	Y462 K476	Y462-L464 PolarHBondContact O-N 2.79Å; L464-K476 WeakPolarHBondContact O-CE 3.43Å; L464-K476 PolarHBondContact O-NZ 3.33Å
465	E	87.8	Confident	88.7	Confident	84 Å²	84	70.7 Å²	70.7	39%	0.393	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-4.3	-178.9	-62.3	-174.9	147.5	0	0	113.1	V461 Y462 P463 L467 H475 K476	V461-E465 HydrophobicContact CG1-CB 4.49Å; Y462-E465 PolarHBondContact O-N 2.76Å; P463-E465 VanDerWaalsContact C-N 3.33Å; E465-L467 PolarHBondContact O-N 2.94Å; E465-H475 CarbonylContact O-C 3.58Å; E465-H475 WeakPolarHBondContact O-CA 3.44Å; E465-H475 IonicContact OE2-CD2 3.46Å; E465-H475 PolarHBondContact OE2-CD2 2.92Å; E465-K476 PolarHBondContact O-N 3.35Å
466	A	87.3	Confident	88.8	Confident	37 Å²	37	71.3 Å²	71.3	31%	0.306	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	114.7	-177.9	0	0	0	0	0	112	V461 Y462 V473	V461-A466 VanDerWaalsContact CG1-CA 3.49Å; V461-A466 HydrophobicContact CG1-CB 3.82Å; Y462-A466 PolarHBondContact O-N 3.43Å; Y462-A466 VanDerWaalsContact O-N 3.14Å; A466-V473 HydrophobicContact CB-CG1 4.16Å
467	L	89.5	Confident	88.8	Confident	22 Å²	22	73.2 Å²	73.2	12%	0.115	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.8	158.6	-61.2	-171.5	0	0	0	107.9	E465 V473 Y474 K476 F479 L490	E465-L467 PolarHBondContact O-N 2.94Å; L467-V473 CarbonylContact O-C 3.54Å; L467-V473 WeakPolarHBondContact O-CA 3.45Å; L467-Y474 PolarHBondContact N-O 3.32Å; L467-Y474 PolarHBondContact O-N 3.13Å; L467-K476 HydrophobicContact CD1-CB 4.44Å; L467-K476 HydrophobicContact CD1-CG 4.06Å; L467-K476 HydrophobicContact CD2-CG 3.78Å; L467-K476 HydrophobicContact CG-CB 4.48Å; L467-K476 HydrophobicContact CG-CG 3.73Å; L467-F479 HydrophobicContact CD1-CB 3.78Å; L467-F479 HydrophobicContact CD1-CD1 3.83Å; L467-F479 HydrophobicContact CD1-CG 4.05Å; L467-L490 HydrophobicContact CB-CD2 4.32Å; L467-L490 HydrophobicContact CD1-CD2 4.42Å; L467-L490 HydrophobicContact CD2-CD1 4.11Å; L467-L490 HydrophobicContact CD2-CD2 4.26Å; L467-L490 HydrophobicContact CD2-CG 4.34Å
468	Q	87.6	Confident	88.8	Confident	148 Å²	148	72 Å²	72	69%	0.692	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.1	174.6	-171.5	171.7	7.7	0	0	109	R472 V473	Q468-R472 CarbonylContact C-O 3.54Å; Q468-R472 WeakPolarHBondContact CA-O 3.32Å; Q468-V473 HydrophobicContact CG-CG2 4.3Å
469	T	83.4	Confident	88.9	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.5	-176.2	47.8	0	0	0	0	109.9	G471 R472 Y474 F479 L490 Y493	T469-G471 PolarHBondContact O-N 3.2Å; T469-R472 PolarHBondContact N-O 3.02Å; T469-R472 PolarHBondContact O-N 3.25Å; T469-Y474 WeakPolarHBondContact OG1-CD2 3.42Å; T469-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T469-Y474 WeakPolarHBondContact OG1-CE2 3.45Å; T469-F479 HydrophobicContact CG2-CE1 4.3Å; T469-F479 HydrophobicContact CG2-CE2 3.91Å; T469-F479 HydrophobicContact CG2-CZ 3.71Å; T469-F479 WeakPolarHBondContact OG1-CE2 3.5Å; T469-L490 HydrophobicContact CG2-CD2 3.53Å; T469-Y493 WeakPolarHBondContact CB-OH 3.48Å; T469-Y493 HydrophobicContact CG2-CE1 4.04Å; T469-Y493 HydrophobicContact CG2-CE2 4.13Å; T469-Y493 WeakPolarHBondContact CG2-OH 3.28Å
470	I	79.7	Confident	89	Confident	119 Å²	119	66.8 Å²	66.8	61%	0.61	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.2	59.8	-178.7	-42.7	-172	0	0	0	112.7	R472 Y493 V495	I470-R472 PolarHBondContact O-N 3.31Å; I470-Y493 HydrophobicContact CD1-CE2 4.2Å; I470-Y493 HydrophobicContact CG1-CE2 4.19Å; I470-V495 HydrophobicContact CD1-CB 4.06Å; I470-V495 HydrophobicContact CD1-CG2 3.71Å; I470-V495 HydrophobicContact CG1-CG2 4.34Å
471	G	82.8	Confident	89.2	Confident	74 Å²	74	64.6 Å²	64.6	76%	0.763	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-6.8	178.5	0	0	0	0	0	116.4	T469	T469-G471 PolarHBondContact O-N 3.2Å
472	R	88	Confident	89.2	Confident	95 Å²	95	69.3 Å²	69.3	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	160.6	179.9	-59.8	-176.7	-171.6	-160.3	2.6	110.9	H455 Q468 T469 I470 Y474 G498	H455-R472 HydrophobicContact CB-CB 4.37Å; H455-R472 PolarHBondContact CE1-NH1 3.15Å; H455-R472 PolarHBondContact NE2-NH1 3.46Å; Q468-R472 CarbonylContact C-O 3.54Å; Q468-R472 WeakPolarHBondContact CA-O 3.32Å; T469-R472 PolarHBondContact N-O 3.02Å; T469-R472 PolarHBondContact O-N 3.25Å; I470-R472 PolarHBondContact O-N 3.31Å; R472-Y474 HydrophobicContact CB-CE2 3.77Å; R472-G498 VanDerWaalsContact NH1-CA 3.33Å; R472-G498 PolarHBondContact NH1-O 3.06Å
473	V	91.3	Very high	89.2	Confident	23 Å²	23	68.3 Å²	68.3	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141	177.5	-173.8	0	0	0	0	109.6	P452 C454 H455 V461 A466 L467 Q468	P452-V473 HydrophobicContact CB-CB 4.12Å; P452-V473 HydrophobicContact CB-CG1 4.1Å; P452-V473 HydrophobicContact CB-CG2 3.95Å; P452-V473 HydrophobicContact CG-CG1 4.43Å; C454-V473 CarbonylContact C-O 3.58Å; C454-V473 WeakPolarHBondContact CA-O 3.42Å; H455-V473 PolarHBondContact N-O 3.11Å; V461-V473 HydrophobicContact CB-CG1 4.17Å; V461-V473 HydrophobicContact CG1-CG1 4.12Å; V461-V473 HydrophobicContact CG2-CG1 4.16Å; A466-V473 HydrophobicContact CB-CG1 4.16Å; L467-V473 CarbonylContact O-C 3.54Å; L467-V473 WeakPolarHBondContact O-CA 3.45Å; Q468-V473 HydrophobicContact CG-CG2 4.3Å
474	Y	92.5	Very high	89.5	Confident	3 Å²	3	65.1 Å²	65.1	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.3	177.8	-58.4	-98.5	0	0	0	109.6	H455 A456 L467 T469 R472 F479 G498 P500	H455-Y474 HydrophobicContact CB-CD1 4.28Å; H455-Y474 HydrophobicContact CB-CE1 3.75Å; H455-Y474 HydrophobicContact CB-CE2 4.48Å; A456-Y474 HydrophobicContact CB-CD1 3.94Å; A456-Y474 HydrophobicContact CB-CE1 4.14Å; L467-Y474 PolarHBondContact N-O 3.32Å; L467-Y474 PolarHBondContact O-N 3.13Å; T469-Y474 WeakPolarHBondContact OG1-CD2 3.42Å; T469-Y474 VanDerWaalsContact OG1-CE2 3.31Å; T469-Y474 WeakPolarHBondContact OG1-CE2 3.45Å; R472-Y474 HydrophobicContact CB-CE2 3.77Å; Y474-F479 HydrophobicContact CD1-CD2 4.4Å; Y474-F479 AromaticContact CD2-CD2 3.87Å; Y474-F479 HydrophobicContact CD2-CD2 3.87Å; Y474-F479 HydrophobicContact CD2-CE2 4.4Å; Y474-F479 HydrophobicContact CE2-CD2 4.28Å; Y474-F479 HydrophobicContact CE2-CE2 4.47Å; Y474-F479 HydrophobicContact CG-CB 4.45Å; Y474-F479 AromaticContact CG-CD2 3.96Å; Y474-F479 HydrophobicContact CG-CD2 3.96Å; Y474-G498 PolarHBondContact OH-O 3.09Å; Y474-P500 HydrophobicContact CE1-CG 4.25Å
475	H	93	Very high	89.7	Confident	14 Å²	14	64 Å²	64	7%	0.065	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	150.5	159.8	-54.7	90.1	0	0	0	110.1	C454 C457 V460 E465 T477 C478 F479	C454-H475 VanDerWaalsContact CB-CE1 3.48Å; C454-H475 WeakPolarHBondContact CB-CE1 3.27Å; C454-H475 WeakPolarHBondContact CB-ND1 2.98Å; C454-H475 PolarHBondContact SG-ND1 2.93Å; C454-H475 VanDerWaalsContact SG-ND1 3.39Å; C457-H475 VanDerWaalsContact SG-CE1 3.56Å; V460-H475 PolarHBondContact O-NE2 2.8Å; E465-H475 CarbonylContact O-C 3.58Å; E465-H475 WeakPolarHBondContact O-CA 3.44Å; E465-H475 IonicContact OE2-CD2 3.46Å; E465-H475 PolarHBondContact OE2-CD2 2.92Å; H475-T477 PolarHBondContact O-N 3.26Å; H475-T477 VanDerWaalsContact O-N 3.1Å; H475-C478 HydrophobicContact CB-CB 4.05Å; H475-C478 PolarHBondContact O-N 3.21Å; H475-F479 PolarHBondContact O-N 3.01Å
476	K	89.9	Confident	89.9	Confident	106 Å²	106	68.8 Å²	68.8	46%	0.461	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-35.6	171	-76.6	169.1	179.1	169.7	0	114.3	L464 E465 L467	L464-K476 WeakPolarHBondContact O-CE 3.43Å; L464-K476 PolarHBondContact O-NZ 3.33Å; E465-K476 PolarHBondContact O-N 3.35Å; L467-K476 HydrophobicContact CD1-CB 4.44Å; L467-K476 HydrophobicContact CD1-CG 4.06Å; L467-K476 HydrophobicContact CD2-CG 3.78Å; L467-K476 HydrophobicContact CG-CB 4.48Å; L467-K476 HydrophobicContact CG-CG 3.73Å
477	T	91.3	Very high	90.1	Very high	104 Å²	104	71.2 Å²	71.2	64%	0.638	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.2	177.9	49.6	0	0	0	0	114	H475	H475-T477 PolarHBondContact O-N 3.26Å; H475-T477 VanDerWaalsContact O-N 3.1Å
478	C	92.4	Very high	90.1	Very high	27 Å²	27	70.8 Å²	70.8	18%	0.182	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.7	-178.2	-66.1	0	0	0	0	113.4	C454 A456 H475 K480	C454-C478 WeakPolarHBondContact SG-CB 3.42Å; A456-C478 HydrophobicContact CB-CB 4.2Å; H475-C478 HydrophobicContact CB-CB 4.05Å; H475-C478 PolarHBondContact O-N 3.21Å; C478-K480 VanDerWaalsContact C-N 3.29Å; C478-K480 PolarHBondContact O-N 2.88Å
479	F	92.6	Very high	90.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.			trans	-76.9	79	175.1	-169.9	-119.1	0	0	0	110.7	L467 T469 Y474 H475 L488 L490 Y493 P500	L467-F479 HydrophobicContact CD1-CB 3.78Å; L467-F479 HydrophobicContact CD1-CD1 3.83Å; L467-F479 HydrophobicContact CD1-CG 4.05Å; T469-F479 HydrophobicContact CG2-CE1 4.3Å; T469-F479 HydrophobicContact CG2-CE2 3.91Å; T469-F479 HydrophobicContact CG2-CZ 3.71Å; T469-F479 WeakPolarHBondContact OG1-CE2 3.5Å; Y474-F479 HydrophobicContact CD1-CD2 4.4Å; Y474-F479 AromaticContact CD2-CD2 3.87Å; Y474-F479 HydrophobicContact CD2-CD2 3.87Å; Y474-F479 HydrophobicContact CD2-CE2 4.4Å; Y474-F479 HydrophobicContact CE2-CD2 4.28Å; Y474-F479 HydrophobicContact CE2-CE2 4.47Å; Y474-F479 HydrophobicContact CG-CB 4.45Å; Y474-F479 AromaticContact CG-CD2 3.96Å; Y474-F479 HydrophobicContact CG-CD2 3.96Å; H475-F479 PolarHBondContact O-N 3.01Å; F479-L488 HydrophobicContact CD1-CB 3.68Å; F479-L488 WeakPolarHBondContact CD1-O 2.89Å; F479-L488 HydrophobicContact CE1-CB 3.5Å; F479-L488 HydrophobicContact CG-CB 4.48Å; F479-L488 HydrophobicContact CZ-CB 4.18Å; F479-L488 HydrophobicContact CZ-CD1 4.42Å; F479-L488 PolarHBondContact O-N 2.91Å; F479-L490 HydrophobicContact CE1-CD2 4.45Å; F479-Y493 HydrophobicContact CE1-CD1 4.25Å; F479-Y493 HydrophobicContact CE1-CG 4.24Å; F479-Y493 HydrophobicContact CE2-CD2 4.24Å; F479-Y493 HydrophobicContact CE2-CE2 4.47Å; F479-Y493 AromaticContact CZ-CD1 3.84Å; F479-Y493 HydrophobicContact CZ-CD1 3.84Å; F479-Y493 AromaticContact CZ-CD2 3.63Å; F479-Y493 HydrophobicContact CZ-CD2 3.63Å; F479-Y493 HydrophobicContact CZ-CE1 4.21Å; F479-Y493 AromaticContact CZ-CE2 3.99Å; F479-Y493 HydrophobicContact CZ-CE2 3.99Å; F479-Y493 AromaticContact CZ-CG 3.55Å; F479-Y493 HydrophobicContact CZ-CG 3.55Å; F479-P500 HydrophobicContact CD2-CB 4.21Å; F479-P500 HydrophobicContact CD2-CG 4.15Å; F479-P500 HydrophobicContact CE2-CB 3.7Å; F479-P500 HydrophobicContact CE2-CG 4.14Å; F479-P500 HydrophobicContact CZ-CB 4.43Å
480	K	93.4	Very high	90	Very high	93 Å²	93	71.9 Å²	71.9	40%	0.404	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-131.5	149.5	-174.7	69	-174.7	-178.7	177.2	0	111.5	C478 H482 H485 R486	C478-K480 VanDerWaalsContact C-N 3.29Å; C478-K480 PolarHBondContact O-N 2.88Å; K480-H482 PolarHBondContact O-N 3.07Å; K480-H485 HydrophobicContact CD-CB 4.36Å; K480-R486 CarbonylContact C-O 3.56Å; K480-R486 VanDerWaalsContact CA-O 3.27Å; K480-R486 WeakPolarHBondContact CA-O 3.12Å; K480-R486 WeakPolarHBondContact CB-O 2.99Å
481	C	94.4	Very high	90.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.382	C	S	.	.			trans	-57.3	127.9	177	-179.1	0	0	0	0	110.9	Q483 C484 H485 R486 L488 P500 C502	C481-Q483 PolarHBondContact O-N 2.98Å; C481-Q483 PolarHBondContact SG-N 2.8Å; C481-C484 VanDerWaalsContact CB-SG 3.57Å; C481-H485 WeakPolarHBondContact O-CA 3.28Å; C481-H485 PolarHBondContact O-N 2.88Å; C481-H485 PolarHBondContact O-ND1 2.96Å; C481-R486 PolarHBondContact N-O 2.83Å; C481-L488 HydrophobicContact CB-CD1 4.43Å; C481-L488 HydrophobicContact CB-CD2 4.19Å; C481-L488 HydrophobicContact CB-CG 4.47Å; C481-P500 WeakPolarHBondContact CA-O 3.49Å; C481-C502 PolarHBondContact SG-N 3.31Å
482	H	91.1	Very high	90.3	Very high	100 Å²	100	72.7 Å²	72.7	46%	0.463	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.7	177.4	-168.2	112	0	0	0	111.9	K480 H485 N499 P500 Y501	K480-H482 PolarHBondContact O-N 3.07Å; H482-H485 PolarHBondContact O-CE1 3.22Å; H482-H485 PolarHBondContact O-ND1 3.4Å; H482-N499 HydrophobicContact CB-CB 4.3Å; H482-N499 PolarHBondContact ND1-OD1 3.41Å; H482-P500 PolarHBondContact N-O 3.34Å; H482-Y501 HydrophobicContact CB-CD1 4.21Å; H482-Y501 HydrophobicContact CB-CE1 3.59Å; H482-Y501 HydrophobicContact CB-CE2 4.41Å
483	Q	90.6	Very high	90.4	Very high	118 Å²	118	70.9 Å²	70.9	55%	0.551	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-41.2	-177.6	-170.4	64	12.3	0	0	114.8	C481 Y501 H505	C481-Q483 PolarHBondContact O-N 2.98Å; C481-Q483 PolarHBondContact SG-N 2.8Å; Q483-Y501 HydrophobicContact CB-CD1 4.09Å; Q483-Y501 HydrophobicContact CB-CE1 4.19Å; Q483-H505 HydrophobicContact CB-CB 4.03Å; Q483-H505 HydrophobicContact CG-CB 4.34Å; Q483-H505 VanDerWaalsContact CG-CD2 3.46Å; Q483-H505 WeakPolarHBondContact CG-CD2 3.26Å
484	C	93.6	Very high	90.4	Very high	50 Å²	50	71.2 Å²	71.2	34%	0.338	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	2	-174.6	69.5	0	0	0	0	114.9	C481 R486 H505	C481-C484 VanDerWaalsContact CB-SG 3.57Å; C484-R486 PolarHBondContact O-N 2.94Å; C484-H505 VanDerWaalsContact CB-CE1 3.47Å; C484-H505 WeakPolarHBondContact CB-CE1 3.48Å; C484-H505 VanDerWaalsContact SG-CE1 3.58Å
485	H	91.4	Very high	90.3	Very high	121 Å²	121	72.9 Å²	72.9	56%	0.56	38%	0.382	S	S	*	.			trans	56.9	6.6	177	-53.4	-22.6	0	0	0	116.6	K480 C481 H482	K480-H485 HydrophobicContact CD-CB 4.36Å; C481-H485 WeakPolarHBondContact O-CA 3.28Å; C481-H485 PolarHBondContact O-N 2.88Å; C481-H485 PolarHBondContact O-ND1 2.96Å; H482-H485 PolarHBondContact O-CE1 3.22Å; H482-H485 PolarHBondContact O-ND1 3.4Å
486	R	91.5	Very high	90	Very high	186 Å²	186	74.9 Å²	74.9	70%	0.702	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-61.3	132.3	168.8	-170.3	-176.9	-68.9	-164.6	-1.1	109.8	K480 C481 C484	K480-R486 CarbonylContact C-O 3.56Å; K480-R486 VanDerWaalsContact CA-O 3.27Å; K480-R486 WeakPolarHBondContact CA-O 3.12Å; K480-R486 WeakPolarHBondContact CB-O 2.99Å; C481-R486 PolarHBondContact N-O 2.83Å; C484-R486 PolarHBondContact O-N 2.94Å
487	V	91.4	Very high	89.8	Confident	88 Å²	88	76.6 Å²	76.6	53%	0.533	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-61.4	137.2	172	-179.3	0	0	0	0	109.3
488	L	90.9	Very high	89.5	Confident	13 Å²	13	72.1 Å²	72.1	7%	0.068	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-100.8	147.5	-175	-63.2	170.1	0	0	0	110.8	F479 C481 P500 C502	F479-L488 HydrophobicContact CD1-CB 3.68Å; F479-L488 WeakPolarHBondContact CD1-O 2.89Å; F479-L488 HydrophobicContact CE1-CB 3.5Å; F479-L488 HydrophobicContact CG-CB 4.48Å; F479-L488 HydrophobicContact CZ-CB 4.18Å; F479-L488 HydrophobicContact CZ-CD1 4.42Å; F479-L488 PolarHBondContact O-N 2.91Å; C481-L488 HydrophobicContact CB-CD1 4.43Å; C481-L488 HydrophobicContact CB-CD2 4.19Å; C481-L488 HydrophobicContact CB-CG 4.47Å; L488-P500 HydrophobicContact CD1-CB 3.8Å; L488-P500 HydrophobicContact CD1-CG 4.43Å; L488-C502 HydrophobicContact CD2-CB 3.51Å
489	S	86.4	Confident	89.4	Confident	72 Å²	72	73.3 Å²	73.3	50%	0.503	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-93.3	154.7	171	63.8	0	0	0	0	110.6	G491 K492	S489-G491 PolarHBondContact O-N 3.12Å; S489-K492 PolarHBondContact O-N 3.45Å
490	L	82.2	Confident	89.4	Confident	104 Å²	104	73.7 Å²	73.7	55%	0.545	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	1.5	-176.3	-70.8	179.5	0	0	0	115.4	L467 T469 F479	L467-L490 HydrophobicContact CB-CD2 4.32Å; L467-L490 HydrophobicContact CD1-CD2 4.42Å; L467-L490 HydrophobicContact CD2-CD1 4.11Å; L467-L490 HydrophobicContact CD2-CD2 4.26Å; L467-L490 HydrophobicContact CD2-CG 4.34Å; T469-L490 HydrophobicContact CG2-CD2 3.53Å; F479-L490 HydrophobicContact CE1-CD2 4.45Å
491	G	82.1	Confident	89.3	Confident	71 Å²	71	70.1 Å²	70.1	73%	0.732	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-0.4	177.5	0	0	0	0	0	115.5	S489	S489-G491 PolarHBondContact O-N 3.12Å
492	K	85.7	Confident	89.3	Confident	139 Å²	139	70.9 Å²	70.9	60%	0.604	37%	0.369	S	S	*	.	S	Bend	trans	-136.2	63.1	179.3	-65.7	-157.3	175.2	-154.7	0	111.9	S489	S489-K492 PolarHBondContact O-N 3.45Å
493	Y	91.4	Very high	89.3	Confident	56 Å²	56	70.7 Å²	70.7	22%	0.22	37%	0.368	C	S	.	.			trans	-144.4	159.8	176.5	76.6	-81	0	0	0	111.2	T469 I470 F479 V495 Y501	T469-Y493 WeakPolarHBondContact CB-OH 3.48Å; T469-Y493 HydrophobicContact CG2-CE1 4.04Å; T469-Y493 HydrophobicContact CG2-CE2 4.13Å; T469-Y493 WeakPolarHBondContact CG2-OH 3.28Å; I470-Y493 HydrophobicContact CD1-CE2 4.2Å; I470-Y493 HydrophobicContact CG1-CE2 4.19Å; F479-Y493 HydrophobicContact CE1-CD1 4.25Å; F479-Y493 HydrophobicContact CE1-CG 4.24Å; F479-Y493 HydrophobicContact CE2-CD2 4.24Å; F479-Y493 HydrophobicContact CE2-CE2 4.47Å; F479-Y493 AromaticContact CZ-CD1 3.84Å; F479-Y493 HydrophobicContact CZ-CD1 3.84Å; F479-Y493 AromaticContact CZ-CD2 3.63Å; F479-Y493 HydrophobicContact CZ-CD2 3.63Å; F479-Y493 HydrophobicContact CZ-CE1 4.21Å; F479-Y493 AromaticContact CZ-CE2 3.99Å; F479-Y493 HydrophobicContact CZ-CE2 3.99Å; F479-Y493 AromaticContact CZ-CG 3.55Å; F479-Y493 HydrophobicContact CZ-CG 3.55Å; Y493-V495 HydrophobicContact CD2-CG2 4.01Å; Y493-V495 HydrophobicContact CE2-CG2 3.9Å; Y493-Y501 WeakPolarHBondContact CA-O 3.36Å
494	S	91.2	Very high	89.3	Confident	30 Å²	30	68.8 Å²	68.8	21%	0.21	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.5	172.9	-44.6	0	0	0	0	108.2	Y501	S494-Y501 PolarHBondContact N-O 2.99Å; S494-Y501 PolarHBondContact O-N 3.31Å
495	V	89.1	Confident	89.3	Confident	39 Å²	39	69 Å²	69	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.4	-176.3	176.9	0	0	0	0	109.7	I470 Y493 G498 N499	I470-V495 HydrophobicContact CD1-CB 4.06Å; I470-V495 HydrophobicContact CD1-CG2 3.71Å; I470-V495 HydrophobicContact CG1-CG2 4.34Å; Y493-V495 HydrophobicContact CD2-CG2 4.01Å; Y493-V495 HydrophobicContact CE2-CG2 3.9Å; V495-G498 VanDerWaalsContact CG1-CA 3.45Å; V495-N499 WeakPolarHBondContact CA-O 3.33Å
496	W	87.8	Confident	89.3	Confident	56 Å²	56	66.1 Å²	66.1	21%	0.212	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.8	173.2	-176.7	-86	0	0	0	109.1	G498 N499 Y501 Y506 F513	W496-G498 PolarHBondContact O-N 3.34Å; W496-N499 PolarHBondContact N-O 3.01Å; W496-N499 PolarHBondContact O-N 3.05Å; W496-Y501 HydrophobicContact CB-CD2 3.91Å; W496-Y501 HydrophobicContact CB-CE2 3.73Å; W496-Y506 HydrophobicContact CB-CD2 4.11Å; W496-Y506 HydrophobicContact CB-CE2 4.04Å; W496-Y506 AromaticContact CE3-CE2 3.97Å; W496-Y506 HydrophobicContact CE3-CE2 3.97Å; W496-F513 HydrophobicContact CH2-CB 3.84Å; W496-F513 HydrophobicContact CZ2-CB 3.39Å; W496-F513 HydrophobicContact CZ2-CG 4.05Å
497	E	86.3	Confident	89.2	Confident	142 Å²	142	61.7 Å²	61.7	66%	0.664	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	23	-175.3	-73.1	167.5	-146.3	0	0	114.6	N499	E497-N499 VanDerWaalsContact C-N 3.33Å
498	G	85.3	Confident	89.1	Confident	9 Å²	9	61.8 Å²	61.8	9%	0.093	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	1.6	-176.4	0	0	0	0	0	115.7	R472 Y474 V495 W496	R472-G498 VanDerWaalsContact NH1-CA 3.33Å; R472-G498 PolarHBondContact NH1-O 3.06Å; Y474-G498 PolarHBondContact OH-O 3.09Å; V495-G498 VanDerWaalsContact CG1-CA 3.45Å; W496-G498 PolarHBondContact O-N 3.34Å
499	N	89.2	Confident	89	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.283	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.7	168.4	-73.8	-72.3	0	0	0	110.4	H482 V495 W496 E497 Y501	H482-N499 HydrophobicContact CB-CB 4.3Å; H482-N499 PolarHBondContact ND1-OD1 3.41Å; V495-N499 WeakPolarHBondContact CA-O 3.33Å; W496-N499 PolarHBondContact N-O 3.01Å; W496-N499 PolarHBondContact O-N 3.05Å; E497-N499 VanDerWaalsContact C-N 3.33Å; N499-Y501 HydrophobicContact CB-CE2 3.69Å; N499-Y501 VanDerWaalsContact O-CD2 3.25Å; N499-Y501 WeakPolarHBondContact O-CD2 3.08Å; N499-Y501 WeakPolarHBondContact O-CE2 3.45Å
500	P	91.8	Very high	89	Confident	7 Å²	7	64.1 Å²	64.1	5%	0.045	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.8	176.3	34.3	-34	0	0	0	111.8	Y474 F479 C481 H482 L488	Y474-P500 HydrophobicContact CE1-CG 4.25Å; F479-P500 HydrophobicContact CD2-CB 4.21Å; F479-P500 HydrophobicContact CD2-CG 4.15Å; F479-P500 HydrophobicContact CE2-CB 3.7Å; F479-P500 HydrophobicContact CE2-CG 4.14Å; F479-P500 HydrophobicContact CZ-CB 4.43Å; C481-P500 WeakPolarHBondContact CA-O 3.49Å; H482-P500 PolarHBondContact N-O 3.34Å; L488-P500 HydrophobicContact CD1-CB 3.8Å; L488-P500 HydrophobicContact CD1-CG 4.43Å
501	Y	92.5	Very high	89.2	Confident	18 Å²	18	65.2 Å²	65.2	7%	0.071	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.8	176.2	-63.5	-93.7	0	0	0	109.6	H482 Q483 Y493 S494 W496 N499 H505 L509	H482-Y501 HydrophobicContact CB-CD1 4.21Å; H482-Y501 HydrophobicContact CB-CE1 3.59Å; H482-Y501 HydrophobicContact CB-CE2 4.41Å; Q483-Y501 HydrophobicContact CB-CD1 4.09Å; Q483-Y501 HydrophobicContact CB-CE1 4.19Å; Y493-Y501 WeakPolarHBondContact CA-O 3.36Å; S494-Y501 PolarHBondContact N-O 2.99Å; S494-Y501 PolarHBondContact O-N 3.31Å; W496-Y501 HydrophobicContact CB-CD2 3.91Å; W496-Y501 HydrophobicContact CB-CE2 3.73Å; N499-Y501 HydrophobicContact CB-CE2 3.69Å; N499-Y501 VanDerWaalsContact O-CD2 3.25Å; N499-Y501 WeakPolarHBondContact O-CD2 3.08Å; N499-Y501 WeakPolarHBondContact O-CE2 3.45Å; Y501-H505 HydrophobicContact CD1-CB 4.45Å; Y501-L509 HydrophobicContact CD1-CD1 3.37Å; Y501-L509 HydrophobicContact CD2-CD1 4.05Å; Y501-L509 HydrophobicContact CE1-CD1 3.21Å; Y501-L509 HydrophobicContact CE2-CD1 3.94Å; Y501-L509 HydrophobicContact CG-CD1 3.79Å
502	C	94.2	Very high	89.1	Confident	17 Å²	17	65.3 Å²	65.3	12%	0.115	33%	0.333	C	S	.	.			trans	-76.9	146.9	162.2	54.5	0	0	0	0	109.8	C481 L488 H505 Y506	C481-C502 PolarHBondContact SG-N 3.31Å; L488-C502 HydrophobicContact CD2-CB 3.51Å; C502-H505 WeakPolarHBondContact O-CA 3.45Å; C502-H505 PolarHBondContact O-N 3.02Å; C502-H505 PolarHBondContact SG-ND1 3.17Å; C502-Y506 PolarHBondContact O-N 3.02Å
503	E	90.4	Very high	88.6	Confident	96 Å²	96	64.2 Å²	64.2	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-29.3	-57.3	174.1	-178.8	179	-171.3	0	0	115.4	H505 Y506 L507	E503-H505 PolarHBondContact O-N 2.86Å; E503-Y506 PolarHBondContact O-N 2.67Å; E503-L507 WeakPolarHBondContact O-CG 3.3Å; E503-L507 PolarHBondContact O-N 3.13Å
504	P	91.8	Very high	87	Confident	77 Å²	77	62.7 Å²	62.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-33.2	180	25.4	-35.6	0	0	0	114.2	V508	P504-V508 WeakPolarHBondContact O-CG2 3.48Å; P504-V508 PolarHBondContact O-N 2.73Å; P504-V508 VanDerWaalsContact O-N 3.13Å
505	H	92.9	Very high	84.9	Confident	55 Å²	55	68.8 Å²	68.8	26%	0.255	36%	0.355	S	S	.	.	H	α-helix	trans	-77.6	-31.9	174.9	-70.5	114.6	0	0	0	112	Q483 C484 Y501 C502 E503 L507 V508 L509	Q483-H505 HydrophobicContact CB-CB 4.03Å; Q483-H505 HydrophobicContact CG-CB 4.34Å; Q483-H505 VanDerWaalsContact CG-CD2 3.46Å; Q483-H505 WeakPolarHBondContact CG-CD2 3.26Å; C484-H505 VanDerWaalsContact CB-CE1 3.47Å; C484-H505 WeakPolarHBondContact CB-CE1 3.48Å; C484-H505 VanDerWaalsContact SG-CE1 3.58Å; Y501-H505 HydrophobicContact CD1-CB 4.45Å; C502-H505 WeakPolarHBondContact O-CA 3.45Å; C502-H505 PolarHBondContact O-N 3.02Å; C502-H505 PolarHBondContact SG-ND1 3.17Å; E503-H505 PolarHBondContact O-N 2.86Å; H505-L507 VanDerWaalsContact C-N 3.35Å; H505-V508 PolarHBondContact O-N 2.84Å; H505-L509 WeakPolarHBondContact O-CD1 3.41Å; H505-L509 VanDerWaalsContact O-CG 3.26Å; H505-L509 WeakPolarHBondContact O-CG 3.32Å; H505-L509 PolarHBondContact O-N 3.29Å
506	Y	91.2	Very high	82.7	Confident	60 Å²	60	74.4 Å²	74.4	24%	0.235	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-42.4	169.8	-177.7	-97.8	0	0	0	111.2	W496 C502 E503 V508 L509 F510	W496-Y506 HydrophobicContact CB-CD2 4.11Å; W496-Y506 HydrophobicContact CB-CE2 4.04Å; W496-Y506 AromaticContact CE3-CE2 3.97Å; W496-Y506 HydrophobicContact CE3-CE2 3.97Å; C502-Y506 PolarHBondContact O-N 3.02Å; E503-Y506 PolarHBondContact O-N 2.67Å; Y506-V508 PolarHBondContact O-N 3.32Å; Y506-L509 PolarHBondContact O-N 3.08Å; Y506-F510 HydrophobicContact CE1-CD2 4.45Å; Y506-F510 VanDerWaalsContact O-CB 3.29Å; Y506-F510 WeakPolarHBondContact O-CB 3.44Å; Y506-F510 PolarHBondContact O-N 3.29Å
507	L	89.9	Confident	80	Confident	93 Å²	93	76 Å²	76	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-40.9	173.8	-72.2	169	0	0	0	112.3	E503 H505 F510 K511	E503-L507 WeakPolarHBondContact O-CG 3.3Å; E503-L507 PolarHBondContact O-N 3.13Å; H505-L507 VanDerWaalsContact C-N 3.35Å; L507-F510 PolarHBondContact O-N 3.49Å; L507-K511 WeakPolarHBondContact O-CB 3.43Å; L507-K511 VanDerWaalsContact O-CG 3.23Å; L507-K511 WeakPolarHBondContact O-CG 3.48Å; L507-K511 PolarHBondContact O-N 3.31Å
508	V	89.4	Confident	77.8	Confident	90 Å²	90	74.4 Å²	74.4	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174	170.5	0	0	0	0	111.8	P504 H505 Y506 K511 A512	P504-V508 WeakPolarHBondContact O-CG2 3.48Å; P504-V508 PolarHBondContact O-N 2.73Å; P504-V508 VanDerWaalsContact O-N 3.13Å; H505-V508 PolarHBondContact O-N 2.84Å; Y506-V508 PolarHBondContact O-N 3.32Å; V508-K511 PolarHBondContact O-N 2.95Å; V508-A512 WeakPolarHBondContact O-CB 3.29Å; V508-A512 PolarHBondContact O-N 3.25Å; V508-A512 VanDerWaalsContact O-N 3.08Å
509	L	87.8	Confident	75.5	Confident	22 Å²	22	75.1 Å²	75.1	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-70	-40.9	177.2	-68.4	165	0	0	0	111.9	Y501 H505 Y506 K511 A512 F513	Y501-L509 HydrophobicContact CD1-CD1 3.37Å; Y501-L509 HydrophobicContact CD2-CD1 4.05Å; Y501-L509 HydrophobicContact CE1-CD1 3.21Å; Y501-L509 HydrophobicContact CE2-CD1 3.94Å; Y501-L509 HydrophobicContact CG-CD1 3.79Å; H505-L509 WeakPolarHBondContact O-CD1 3.41Å; H505-L509 VanDerWaalsContact O-CG 3.26Å; H505-L509 WeakPolarHBondContact O-CG 3.32Å; H505-L509 PolarHBondContact O-N 3.29Å; Y506-L509 PolarHBondContact O-N 3.08Å; L509-K511 VanDerWaalsContact C-N 3.25Å; L509-K511 PolarHBondContact O-N 2.86Å; L509-A512 PolarHBondContact O-N 3.25Å; L509-F513 HydrophobicContact CB-CD2 4.36Å; L509-F513 HydrophobicContact CD2-CD2 3.93Å; L509-F513 HydrophobicContact CD2-CE2 3.6Å; L509-F513 WeakPolarHBondContact O-CB 3.43Å; L509-F513 WeakPolarHBondContact O-CD2 3.47Å; L509-F513 PolarHBondContact O-N 3.07Å
510	F	86.3	Confident	73.2	Confident	112 Å²	112	79.2 Å²	79.2	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-38.1	173.1	-171.1	-95	0	0	0	111.1	Y506 L507 A512 G514	Y506-F510 HydrophobicContact CE1-CD2 4.45Å; Y506-F510 VanDerWaalsContact O-CB 3.29Å; Y506-F510 WeakPolarHBondContact O-CB 3.44Å; Y506-F510 PolarHBondContact O-N 3.29Å; L507-F510 PolarHBondContact O-N 3.49Å; F510-A512 VanDerWaalsContact C-N 3.35Å; F510-A512 PolarHBondContact O-N 3.28Å; F510-G514 WeakPolarHBondContact O-CA 3.38Å; F510-G514 PolarHBondContact O-N 3.28Å
511	K	86.6	Confident	70.5	Confident	128 Å²	128	84.7 Å²	84.7	56%	0.557	45%	0.448	S	S	*	.	H	α-helix	trans	-72	-20.1	173	-71.3	-178	176.6	-173.4	0	114.8	L507 V508 L509 Y516	L507-K511 WeakPolarHBondContact O-CB 3.43Å; L507-K511 VanDerWaalsContact O-CG 3.23Å; L507-K511 WeakPolarHBondContact O-CG 3.48Å; L507-K511 PolarHBondContact O-N 3.31Å; V508-K511 PolarHBondContact O-N 2.95Å; L509-K511 VanDerWaalsContact C-N 3.25Å; L509-K511 PolarHBondContact O-N 2.86Å; K511-Y516 HydrophobicContact CB-CE2 3.86Å; K511-Y516 HydrophobicContact CG-CE2 3.83Å; K511-Y516 WeakPolarHBondContact O-CD2 3.5Å
512	A	80.8	Confident	67.8	Low	73 Å²	73	93.1 Å²	93.1	60%	0.603	49%	0.485	S	S	*	.	H	α-helix	trans	-102.9	-30.4	-176.4	0	0	0	0	0	114.2	V508 L509 F510	V508-A512 WeakPolarHBondContact O-CB 3.29Å; V508-A512 PolarHBondContact O-N 3.25Å; V508-A512 VanDerWaalsContact O-N 3.08Å; L509-A512 PolarHBondContact O-N 3.25Å; F510-A512 VanDerWaalsContact C-N 3.35Å; F510-A512 PolarHBondContact O-N 3.28Å
513	F	74.1	Confident	64.9	Low	115 Å²	115	96.9 Å²	96.9	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-109.6	-27.6	-179.7	-69.9	-89.1	0	0	0	112.8	W496 L509 Q515	W496-F513 HydrophobicContact CH2-CB 3.84Å; W496-F513 HydrophobicContact CZ2-CB 3.39Å; W496-F513 HydrophobicContact CZ2-CG 4.05Å; L509-F513 HydrophobicContact CB-CD2 4.36Å; L509-F513 HydrophobicContact CD2-CD2 3.93Å; L509-F513 HydrophobicContact CD2-CE2 3.6Å; L509-F513 WeakPolarHBondContact O-CB 3.43Å; L509-F513 WeakPolarHBondContact O-CD2 3.47Å; L509-F513 PolarHBondContact O-N 3.07Å; F513-Q515 PolarHBondContact O-N 3.21Å
514	G	59.6	Low	62	Low	24 Å²	24	95.3 Å²	95.3	25%	0.247	51%	0.506	C	S	.	.	S	Bend	trans	-60.9	130.1	160.3	0	0	0	0	0	108.6	F510 Y516	F510-G514 WeakPolarHBondContact O-CA 3.38Å; F510-G514 PolarHBondContact O-N 3.28Å; G514-Y516 VanDerWaalsContact C-N 3.34Å; G514-Y516 PolarHBondContact O-N 3.28Å
515	Q	45	Very low	59.3	Low	159 Å²	159	95.4 Å²	95.4	74%	0.743	50%	0.501	S	S	*	.			trans	-73.5	93.6	178.4	-68	167.9	35	0	0	107.9	F513 N517	F513-Q515 PolarHBondContact O-N 3.21Å; Q515-N517 PolarHBondContact O-N 3.47Å
516	Y	43	Very low	56.7	Low	157 Å²	157	100.3 Å²	100.3	62%	0.616	53%	0.528	S	S	*	.			trans	-61.2	87.6	151	-82.6	-69.1	0	0	0	107.6	K511 G514 S518	K511-Y516 HydrophobicContact CB-CE2 3.86Å; K511-Y516 HydrophobicContact CG-CE2 3.83Å; K511-Y516 WeakPolarHBondContact O-CD2 3.5Å; G514-Y516 VanDerWaalsContact C-N 3.34Å; G514-Y516 PolarHBondContact O-N 3.28Å; Y516-S518 VanDerWaalsContact C-N 3.26Å; Y516-S518 PolarHBondContact O-N 2.99Å
517	N	32.2	Very low	53.9	Low	89 Å²	89	103.8 Å²	103.8	48%	0.476	55%	0.551	S	S	.	*			trans	-44.3	107.8	131.7	-71.9	-20.2	0	0	0	105.3	Q515 S519 L520 P524	Q515-N517 PolarHBondContact O-N 3.47Å; N517-S519 PolarHBondContact O-N 3.43Å; N517-L520 HydrophobicContact CB-CD1 4.44Å; N517-L520 PolarHBondContact O-N 2.88Å; N517-P524 HydrophobicContact CB-CB 4.43Å; N517-P524 HydrophobicContact CB-CG 4.15Å
518	S	39.9	Very low	51.4	Low	108 Å²	108	102.2 Å²	102.2	76%	0.755	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	54.4	-176.9	57.9	0	0	0	0	109.8	Y516	Y516-S518 VanDerWaalsContact C-N 3.26Å; Y516-S518 PolarHBondContact O-N 2.99Å
519	S	36.7	Very low	49.2	Very low	25 Å²	25	99.6 Å²	99.6	18%	0.175	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-173.5	16.8	-158.1	48.6	0	0	0	0	112	N517 T521 K522 T523 P524	N517-S519 PolarHBondContact O-N 3.43Å; S519-T521 VanDerWaalsContact C-N 3.3Å; S519-K522 CarbonylContact C-O 3.53Å; S519-K522 VanDerWaalsContact C-O 3.23Å; S519-K522 WeakPolarHBondContact CA-O 3.48Å; S519-K522 WeakPolarHBondContact CB-O 3.41Å; S519-K522 CarbonylContact O-C 3.6Å; S519-T523 CarbonylContact O-C 3.6Å; S519-T523 WeakPolarHBondContact O-CA 3.18Å; S519-T523 PolarHBondContact O-N 2.84Å; S519-P524 WeakPolarHBondContact O-CD 3.43Å; S519-P524 VanDerWaalsContact O-CG 3.27Å; S519-P524 WeakPolarHBondContact O-CG 3.25Å; S519-P524 WeakPolarHBondContact OG-CB 3.4Å
520	L	41.2	Very low	47	Very low	139 Å²	139	102.3 Å²	102.3	73%	0.728	56%	0.558	S	S	*	*	S	Bend	trans	-94.6	6.7	145.3	-84.1	90.2	0	0	0	112.5	N517 P524	N517-L520 HydrophobicContact CB-CD1 4.44Å; N517-L520 PolarHBondContact O-N 2.88Å; L520-P524 HydrophobicContact CD1-CG 3.47Å; L520-P524 VanDerWaalsContact CD1-CG 3.47Å; L520-P524 HydrophobicContact CG-CG 4.37Å
521	T	35.8	Very low	45.1	Very low	121 Å²	121	102.6 Å²	102.6	74%	0.742	56%	0.561	S	S	*	*	S	Bend	trans	-107.3	102.2	145.5	51.1	0	0	0	0	106.1	S519	S519-T521 VanDerWaalsContact C-N 3.3Å
522	K	34.7	Very low	43.4	Very low	195 Å²	195	100.7 Å²	100.7	85%	0.848	56%	0.56	S	S	*	*	S	Bend	trans	64.2	90.7	-156.7	-66.6	-170.9	175.6	-177.3	0	114.9	S519	S519-K522 CarbonylContact C-O 3.53Å; S519-K522 VanDerWaalsContact C-O 3.23Å; S519-K522 WeakPolarHBondContact CA-O 3.48Å; S519-K522 WeakPolarHBondContact CB-O 3.41Å; S519-K522 CarbonylContact O-C 3.6Å
523	T	33.4	Very low	42	Very low	97 Å²	97	103.2 Å²	103.2	60%	0.595	56%	0.559	S	S	*	*			trans	-9.7	136.6	172.1	52.7	0	0	0	0	119.3	S519 I525	S519-T523 CarbonylContact O-C 3.6Å; S519-T523 WeakPolarHBondContact O-CA 3.18Å; S519-T523 PolarHBondContact O-N 2.84Å; T523-I525 PolarHBondContact O-N 2.9Å
524	P	28.9	Very low	40.9	Very low	62 Å²	62	103.1 Å²	103.1	40%	0.403	56%	0.56	S	S	.	*	S	Bend	trans	-80.3	54.1	-178.7	-6.8	26.7	0	0	0	112.5	N517 S519 L520	N517-P524 HydrophobicContact CB-CB 4.43Å; N517-P524 HydrophobicContact CB-CG 4.15Å; S519-P524 WeakPolarHBondContact O-CD 3.43Å; S519-P524 VanDerWaalsContact O-CG 3.27Å; S519-P524 WeakPolarHBondContact O-CG 3.25Å; S519-P524 WeakPolarHBondContact OG-CB 3.4Å; L520-P524 HydrophobicContact CD1-CG 3.47Å; L520-P524 VanDerWaalsContact CD1-CG 3.47Å; L520-P524 HydrophobicContact CG-CG 4.37Å
525	I	35.1	Very low	40.5	Very low	79 Å²	79	105.2 Å²	105.2	41%	0.405	56%	0.563	S	S	.	*			trans	-128.5	26.4	-172.5	-29.1	172.7	0	0	0	111.8	T523 A528 S529	T523-I525 PolarHBondContact O-N 2.9Å; I525-A528 HydrophobicContact CG2-CB 4.28Å; I525-S529 WeakPolarHBondContact CG2-OG 3.45Å; I525-S529 VanDerWaalsContact O-CB 3.3Å; I525-S529 WeakPolarHBondContact O-CB 3.35Å; I525-S529 PolarHBondContact O-N 3.49Å; I525-S529 PolarHBondContact O-OG 2.8Å
526	L	38.5	Very low	40.9	Very low	158 Å²	158	100.6 Å²	100.6	83%	0.827	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	111.5	153.7	-51.9	176.3	0	0	0	105
527	D	32.9	Very low	41.5	Very low	134 Å²	134	94.9 Å²	94.9	72%	0.717	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	cis	-120.4	8.6	21.4	-64.6	-49.6	0	0	0	115.6	S529 S530	D527-S529 PolarHBondContact O-N 2.6Å; D527-S530 PolarHBondContact O-N 3.41Å; D527-S530 PolarHBondContact O-OG 3.03Å
528	A	37.5	Very low	42.7	Very low	59 Å²	59	97.3 Å²	97.3	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-26.3	-179.7	0	0	0	0	0	113.8	I525 S530 H531 V532	I525-A528 HydrophobicContact CG2-CB 4.28Å; A528-S530 PolarHBondContact O-N 3.22Å; A528-H531 PolarHBondContact O-N 3.04Å; A528-V532 PolarHBondContact O-N 3.06Å; A528-V532 VanDerWaalsContact O-N 3.15Å
529	S	43.2	Very low	43.4	Very low	35 Å²	35	96.7 Å²	96.7	25%	0.245	52%	0.519	C	S	.	.	H	α-helix	trans	-56.8	-31.6	177.3	-66.9	0	0	0	0	112.9	I525 D527 H531 V532 Q533	I525-S529 WeakPolarHBondContact CG2-OG 3.45Å; I525-S529 VanDerWaalsContact O-CB 3.3Å; I525-S529 WeakPolarHBondContact O-CB 3.35Å; I525-S529 PolarHBondContact O-N 3.49Å; I525-S529 PolarHBondContact O-OG 2.8Å; D527-S529 PolarHBondContact O-N 2.6Å; S529-H531 PolarHBondContact O-N 2.92Å; S529-V532 PolarHBondContact O-N 2.96Å; S529-Q533 WeakPolarHBondContact O-CB 3.21Å; S529-Q533 VanDerWaalsContact O-CG 3.22Å; S529-Q533 WeakPolarHBondContact O-CG 3.22Å; S529-Q533 PolarHBondContact O-N 3.29Å
530	S	42.5	Very low	44	Very low	79 Å²	79	100.5 Å²	100.5	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-61.2	-46.5	179.8	61.9	0	0	0	0	112.4	D527 A528 Q534	D527-S530 PolarHBondContact O-N 3.41Å; D527-S530 PolarHBondContact O-OG 3.03Å; A528-S530 PolarHBondContact O-N 3.22Å; S530-Q534 WeakPolarHBondContact O-CB 3.47Å; S530-Q534 PolarHBondContact O-N 2.61Å
531	H	46.4	Very low	44.7	Very low	119 Å²	119	101.8 Å²	101.8	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-76.5	-34.2	179.6	-163.5	-56.3	0	0	0	112	A528 S529 E535	A528-H531 PolarHBondContact O-N 3.04Å; S529-H531 PolarHBondContact O-N 2.92Å; H531-E535 WeakPolarHBondContact O-CB 3.38Å; H531-E535 PolarHBondContact O-N 3.3Å
532	V	50.1	Low	45.5	Very low	88 Å²	88	99 Å²	99	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-45.2	176	177.2	0	0	0	0	110.8	A528 S529 Q534 E535 V536	A528-V532 PolarHBondContact O-N 3.06Å; A528-V532 VanDerWaalsContact O-N 3.15Å; S529-V532 PolarHBondContact O-N 2.96Å; V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.27Å; V532-E535 PolarHBondContact O-N 3.07Å; V532-V536 HydrophobicContact CG1-CG2 4.25Å; V532-V536 WeakPolarHBondContact O-CB 3.23Å; V532-V536 VanDerWaalsContact O-CG2 3.28Å; V532-V536 WeakPolarHBondContact O-CG2 3.11Å; V532-V536 PolarHBondContact O-N 3.28Å
533	Q	51.1	Low	46.2	Very low	126 Å²	126	93.2 Å²	93.2	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-34.5	175.3	-69.7	169.8	-21.7	0	0	111.6	S529 S537	S529-Q533 WeakPolarHBondContact O-CB 3.21Å; S529-Q533 VanDerWaalsContact O-CG 3.22Å; S529-Q533 WeakPolarHBondContact O-CG 3.22Å; S529-Q533 PolarHBondContact O-N 3.29Å; Q533-S537 WeakPolarHBondContact O-CB 3.41Å; Q533-S537 PolarHBondContact O-N 3.16Å; Q533-S537 PolarHBondContact O-OG 3.24Å; Q533-S537 VanDerWaalsContact O-OG 3.09Å
534	Q	52	Low	47.1	Very low	112 Å²	112	90.9 Å²	90.9	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-35.1	174.5	-169.9	170	52	0	0	113	S530 V532 R538	S530-Q534 WeakPolarHBondContact O-CB 3.47Å; S530-Q534 PolarHBondContact O-N 2.61Å; V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.27Å; Q534-R538 VanDerWaalsContact O-CG 3.31Å; Q534-R538 WeakPolarHBondContact O-CG 3.43Å; Q534-R538 PolarHBondContact O-N 3.17Å; Q534-R538 VanDerWaalsContact O-N 3.16Å
535	E	50.8	Low	48.5	Very low	69 Å²	69	92.7 Å²	92.7	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-75.4	-41.4	172.4	-77.7	-61	120.7	0	0	112.8	H531 V532 S537 R538 I539	H531-E535 WeakPolarHBondContact O-CB 3.38Å; H531-E535 PolarHBondContact O-N 3.3Å; V532-E535 PolarHBondContact O-N 3.07Å; E535-S537 VanDerWaalsContact C-N 3.35Å; E535-S537 PolarHBondContact O-N 2.97Å; E535-R538 CarbonylContact O-C 3.1Å; E535-R538 WeakPolarHBondContact O-CA 3.32Å; E535-R538 WeakPolarHBondContact O-CB 3.22Å; E535-R538 PolarHBondContact O-N 3.11Å; E535-R538 WeakPolarHBondContact OE1-CD 3.49Å; E535-R538 IonicContact OE1-CZ 3.51Å; E535-R538 IonicContact OE1-NE 3.15Å; E535-R538 IonicContact OE1-NH1 2.86Å; E535-R538 PolarHBondContact OE1-NH1 3.25Å; E535-I539 WeakPolarHBondContact O-CG1 3.44Å; E535-I539 PolarHBondContact O-N 2.88Å
536	V	54.1	Low	49.5	Very low	61 Å²	61	93 Å²	93	37%	0.37	50%	0.495	S	S	.	.	H	α-helix	trans	-59.1	-47.3	172.3	168.4	0	0	0	0	109.8	V532 R538 I539 E540	V532-V536 HydrophobicContact CG1-CG2 4.25Å; V532-V536 WeakPolarHBondContact O-CB 3.23Å; V532-V536 VanDerWaalsContact O-CG2 3.28Å; V532-V536 WeakPolarHBondContact O-CG2 3.11Å; V532-V536 PolarHBondContact O-N 3.28Å; V536-R538 PolarHBondContact O-N 3.01Å; V536-R538 VanDerWaalsContact O-N 3.13Å; V536-I539 CarbonylContact O-C 3.23Å; V536-I539 PolarHBondContact O-N 3.05Å; V536-E540 VanDerWaalsContact CG1-CD 3.48Å; V536-E540 HydrophobicContact CG1-CG 4.07Å; V536-E540 WeakPolarHBondContact CG1-OE1 3.29Å; V536-E540 WeakPolarHBondContact O-CB 3.3Å; V536-E540 VanDerWaalsContact O-CG 3.31Å; V536-E540 WeakPolarHBondContact O-CG 3.17Å; V536-E540 PolarHBondContact O-N 3.4Å
537	S	54	Low	50.3	Low	37 Å²	37	89.3 Å²	89.3	26%	0.259	48%	0.479	S	S	.	.	H	α-helix	trans	-68.4	-6	172.3	-67.9	0	0	0	0	115	Q533 E535 R541	Q533-S537 WeakPolarHBondContact O-CB 3.41Å; Q533-S537 PolarHBondContact O-N 3.16Å; Q533-S537 PolarHBondContact O-OG 3.24Å; Q533-S537 VanDerWaalsContact O-OG 3.09Å; E535-S537 VanDerWaalsContact C-N 3.35Å; E535-S537 PolarHBondContact O-N 2.97Å; S537-R541 VanDerWaalsContact O-CD 3.31Å; S537-R541 WeakPolarHBondContact O-CD 3.46Å; S537-R541 VanDerWaalsContact O-CG 3.22Å; S537-R541 WeakPolarHBondContact O-CG 3.49Å; S537-R541 PolarHBondContact O-NH1 3.34Å
538	R	57.6	Low	51.7	Low	140 Å²	140	88.5 Å²	88.5	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-89.3	-43.8	164.4	-79.5	165.4	173.1	177.8	2.6	110.5	Q534 E535 V536 R541 S542	Q534-R538 VanDerWaalsContact O-CG 3.31Å; Q534-R538 WeakPolarHBondContact O-CG 3.43Å; Q534-R538 PolarHBondContact O-N 3.17Å; Q534-R538 VanDerWaalsContact O-N 3.16Å; E535-R538 CarbonylContact O-C 3.1Å; E535-R538 WeakPolarHBondContact O-CA 3.32Å; E535-R538 WeakPolarHBondContact O-CB 3.22Å; E535-R538 PolarHBondContact O-N 3.11Å; E535-R538 WeakPolarHBondContact OE1-CD 3.49Å; E535-R538 IonicContact OE1-CZ 3.51Å; E535-R538 IonicContact OE1-NE 3.15Å; E535-R538 IonicContact OE1-NH1 2.86Å; E535-R538 PolarHBondContact OE1-NH1 3.25Å; V536-R538 PolarHBondContact O-N 3.01Å; V536-R538 VanDerWaalsContact O-N 3.13Å; R538-R541 PolarHBondContact O-N 3.18Å; R538-S542 WeakPolarHBondContact O-CB 3.41Å; R538-S542 PolarHBondContact O-N 2.78Å
539	I	54.8	Low	53.1	Low	96 Å²	96	89.9 Å²	89.9	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-50.9	177.8	-67.2	164.9	0	0	0	109.9	E535 V536 R541 S542 T543	E535-I539 WeakPolarHBondContact O-CG1 3.44Å; E535-I539 PolarHBondContact O-N 2.88Å; V536-I539 CarbonylContact O-C 3.23Å; V536-I539 PolarHBondContact O-N 3.05Å; I539-R541 VanDerWaalsContact C-N 3.35Å; I539-R541 PolarHBondContact O-N 2.93Å; I539-S542 CarbonylContact O-C 2.93Å; I539-S542 WeakPolarHBondContact O-CA 3.23Å; I539-S542 WeakPolarHBondContact O-CB 3.37Å; I539-S542 PolarHBondContact O-N 3.02Å; I539-S542 PolarHBondContact O-OG 3.37Å; I539-T543 HydrophobicContact CG2-CG2 4.44Å; I539-T543 PolarHBondContact O-N 3.5Å; I539-T543 PolarHBondContact O-OG1 3.08Å
540	E	49.2	Very low	53.9	Low	105 Å²	105	92.6 Å²	92.6	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-58.9	-40.1	176.8	-69.9	168.6	158.2	0	0	113.1	V536 S542 T543 S544	V536-E540 VanDerWaalsContact CG1-CD 3.48Å; V536-E540 HydrophobicContact CG1-CG 4.07Å; V536-E540 WeakPolarHBondContact CG1-OE1 3.29Å; V536-E540 WeakPolarHBondContact O-CB 3.3Å; V536-E540 VanDerWaalsContact O-CG 3.31Å; V536-E540 WeakPolarHBondContact O-CG 3.17Å; V536-E540 PolarHBondContact O-N 3.4Å; E540-S542 VanDerWaalsContact C-N 3.32Å; E540-T543 WeakPolarHBondContact CA-OG1 3.38Å; E540-T543 PolarHBondContact O-OG1 3.37Å; E540-T543 VanDerWaalsContact O-OG1 3.08Å; E540-S544 WeakPolarHBondContact O-CB 3.41Å; E540-S544 PolarHBondContact O-N 2.95Å
541	R	55.6	Low	55.2	Low	165 Å²	165	92.9 Å²	92.9	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-68.7	-32.9	174.1	-71.8	-177.4	-172.6	110	-1.9	111.8	S537 R538 I539 N545	S537-R541 VanDerWaalsContact O-CD 3.31Å; S537-R541 WeakPolarHBondContact O-CD 3.46Å; S537-R541 VanDerWaalsContact O-CG 3.22Å; S537-R541 WeakPolarHBondContact O-CG 3.49Å; S537-R541 PolarHBondContact O-NH1 3.34Å; R538-R541 PolarHBondContact O-N 3.18Å; I539-R541 VanDerWaalsContact C-N 3.35Å; I539-R541 PolarHBondContact O-N 2.93Å; R541-N545 WeakPolarHBondContact O-CB 3.26Å; R541-N545 PolarHBondContact O-N 3.2Å; R541-N545 PolarHBondContact O-ND2 2.9Å
542	S	52.8	Low	56.1	Low	62 Å²	62	89.5 Å²	89.5	43%	0.434	48%	0.475	S	S	.	.	H	α-helix	trans	-73.6	-39.8	175.4	79.7	0	0	0	0	112.7	R538 I539 E540 N545 V546	R538-S542 WeakPolarHBondContact O-CB 3.41Å; R538-S542 PolarHBondContact O-N 2.78Å; I539-S542 CarbonylContact O-C 2.93Å; I539-S542 WeakPolarHBondContact O-CA 3.23Å; I539-S542 WeakPolarHBondContact O-CB 3.37Å; I539-S542 PolarHBondContact O-N 3.02Å; I539-S542 PolarHBondContact O-OG 3.37Å; E540-S542 VanDerWaalsContact C-N 3.32Å; S542-N545 PolarHBondContact O-N 3Å; S542-V546 WeakPolarHBondContact O-CG2 3.39Å; S542-V546 PolarHBondContact O-N 3.22Å
543	T	49.7	Very low	57	Low	75 Å²	75	91.2 Å²	91.2	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-70	-41	175.6	54	0	0	0	0	110.8	I539 E540 N545 V546 T547	I539-T543 HydrophobicContact CG2-CG2 4.44Å; I539-T543 PolarHBondContact O-N 3.5Å; I539-T543 PolarHBondContact O-OG1 3.08Å; E540-T543 WeakPolarHBondContact CA-OG1 3.38Å; E540-T543 PolarHBondContact O-OG1 3.37Å; E540-T543 VanDerWaalsContact O-OG1 3.08Å; T543-N545 VanDerWaalsContact C-N 3.35Å; T543-N545 PolarHBondContact O-N 2.78Å; T543-V546 CarbonylContact O-C 3.59Å; T543-V546 PolarHBondContact O-N 3.27Å; T543-V546 VanDerWaalsContact O-N 3.08Å; T543-T547 PolarHBondContact O-N 3.17Å; T543-T547 PolarHBondContact O-OG1 3.26Å
544	S	53.3	Low	57.2	Low	47 Å²	47	91.6 Å²	91.6	33%	0.329	48%	0.475	S	S	.	.	H	α-helix	trans	-57.9	-43.4	171.9	-176.1	0	0	0	0	112.2	E540 V546 T547 Q548	E540-S544 WeakPolarHBondContact O-CB 3.41Å; E540-S544 PolarHBondContact O-N 2.95Å; S544-V546 VanDerWaalsContact C-N 3.33Å; S544-V546 PolarHBondContact O-N 3.45Å; S544-T547 PolarHBondContact O-N 3.47Å; S544-T547 PolarHBondContact O-OG1 3.06Å; S544-Q548 VanDerWaalsContact O-CB 3.27Å; S544-Q548 WeakPolarHBondContact O-CB 3.36Å; S544-Q548 VanDerWaalsContact O-CG 3.26Å; S544-Q548 WeakPolarHBondContact O-CG 3.38Å; S544-Q548 PolarHBondContact O-N 2.97Å; S544-Q548 PolarHBondContact OG-NE2 2.88Å
545	N	56.5	Low	57.7	Low	100 Å²	100	92.3 Å²	92.3	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-36.2	173.8	-75.6	-24.3	0	0	0	112.5	R541 S542 T543 T549	R541-N545 WeakPolarHBondContact O-CB 3.26Å; R541-N545 PolarHBondContact O-N 3.2Å; R541-N545 PolarHBondContact O-ND2 2.9Å; S542-N545 PolarHBondContact O-N 3Å; T543-N545 VanDerWaalsContact C-N 3.35Å; T543-N545 PolarHBondContact O-N 2.78Å; N545-T549 WeakPolarHBondContact O-CB 3.31Å; N545-T549 PolarHBondContact O-N 2.76Å; N545-T549 PolarHBondContact O-OG1 3.44Å
546	V	57	Low	58.2	Low	86 Å²	86	95.5 Å²	95.5	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-71.7	-43.5	177.2	170.4	0	0	0	0	111.7	S542 T543 S544 T549 L550	S542-V546 WeakPolarHBondContact O-CG2 3.39Å; S542-V546 PolarHBondContact O-N 3.22Å; T543-V546 CarbonylContact O-C 3.59Å; T543-V546 PolarHBondContact O-N 3.27Å; T543-V546 VanDerWaalsContact O-N 3.08Å; S544-V546 VanDerWaalsContact C-N 3.33Å; S544-V546 PolarHBondContact O-N 3.45Å; V546-T549 PolarHBondContact O-N 3.19Å; V546-L550 HydrophobicContact CG1-CD1 4.04Å; V546-L550 WeakPolarHBondContact O-CB 3.37Å; V546-L550 WeakPolarHBondContact O-CG 3.37Å; V546-L550 PolarHBondContact O-N 2.94Å
547	T	55.8	Low	58.2	Low	80 Å²	80	99 Å²	99	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-67.9	-43.1	177.5	54.5	0	0	0	0	111.4	T543 S544 T549 L550 V551	T543-T547 PolarHBondContact O-N 3.17Å; T543-T547 PolarHBondContact O-OG1 3.26Å; S544-T547 PolarHBondContact O-N 3.47Å; S544-T547 PolarHBondContact O-OG1 3.06Å; T547-T549 PolarHBondContact O-N 3.17Å; T547-L550 PolarHBondContact O-N 2.87Å; T547-V551 WeakPolarHBondContact O-CG2 3.41Å; T547-V551 PolarHBondContact O-N 2.97Å
548	Q	62.4	Low	58	Low	118 Å²	118	105 Å²	105	55%	0.551	53%	0.534	S	S	*	.	H	α-helix	trans	-61.5	-42.3	172.6	-72	-179.8	52.5	0	0	112.1	S544 L550 V551 A552	S544-Q548 VanDerWaalsContact O-CB 3.27Å; S544-Q548 WeakPolarHBondContact O-CB 3.36Å; S544-Q548 VanDerWaalsContact O-CG 3.26Å; S544-Q548 WeakPolarHBondContact O-CG 3.38Å; S544-Q548 PolarHBondContact O-N 2.97Å; S544-Q548 PolarHBondContact OG-NE2 2.88Å; Q548-L550 VanDerWaalsContact C-N 3.32Å; Q548-L550 PolarHBondContact O-N 3.48Å; Q548-V551 PolarHBondContact O-N 3.35Å; Q548-A552 VanDerWaalsContact O-CB 3.24Å; Q548-A552 WeakPolarHBondContact O-CB 3.39Å; Q548-A552 PolarHBondContact O-N 3.44Å
549	T	67.1	Low	57.7	Low	88 Å²	88	102.8 Å²	102.8	54%	0.54	54%	0.54	S	S	.	.	H	α-helix	trans	-62.1	-39.5	175.3	-61.7	0	0	0	0	111.6	N545 V546 T547 K553	N545-T549 WeakPolarHBondContact O-CB 3.31Å; N545-T549 PolarHBondContact O-N 2.76Å; N545-T549 PolarHBondContact O-OG1 3.44Å; V546-T549 PolarHBondContact O-N 3.19Å; T547-T549 PolarHBondContact O-N 3.17Å; T549-K553 WeakPolarHBondContact O-CB 3.35Å; T549-K553 PolarHBondContact O-N 3.2Å; T549-K553 VanDerWaalsContact O-N 3.11Å
550	L	60.1	Low	56.9	Low	91 Å²	91	101.1 Å²	101.1	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-68.8	-47.9	176.5	-73.5	168.8	0	0	0	111.7	V546 T547 Q548 K553 F554	V546-L550 HydrophobicContact CG1-CD1 4.04Å; V546-L550 WeakPolarHBondContact O-CB 3.37Å; V546-L550 WeakPolarHBondContact O-CG 3.37Å; V546-L550 PolarHBondContact O-N 2.94Å; T547-L550 PolarHBondContact O-N 2.87Å; Q548-L550 VanDerWaalsContact C-N 3.32Å; Q548-L550 PolarHBondContact O-N 3.48Å; L550-K553 PolarHBondContact O-N 3.19Å; L550-F554 VanDerWaalsContact O-CD2 3.28Å; L550-F554 WeakPolarHBondContact O-CD2 3.25Å; L550-F554 PolarHBondContact O-N 3.07Å
551	V	68.6	Low	56.5	Low	85 Å²	85	103.2 Å²	103.2	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-47.1	179.1	170.7	0	0	0	0	111.5	T547 Q548 K553 F554 Q555	T547-V551 WeakPolarHBondContact O-CG2 3.41Å; T547-V551 PolarHBondContact O-N 2.97Å; Q548-V551 PolarHBondContact O-N 3.35Å; V551-K553 VanDerWaalsContact C-N 3.29Å; V551-K553 PolarHBondContact O-N 3.37Å; V551-F554 PolarHBondContact O-N 3.47Å; V551-Q555 PolarHBondContact O-N 2.76Å
552	A	65	Low	55.6	Low	48 Å²	48	103.3 Å²	103.3	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-58.4	-43.3	175.4	0	0	0	0	0	111.3	Q548 F554 Q555 E556	Q548-A552 VanDerWaalsContact O-CB 3.24Å; Q548-A552 WeakPolarHBondContact O-CB 3.39Å; Q548-A552 PolarHBondContact O-N 3.44Å; A552-F554 VanDerWaalsContact C-N 3.35Å; A552-F554 PolarHBondContact O-N 3.46Å; A552-Q555 PolarHBondContact O-N 3.19Å; A552-E556 WeakPolarHBondContact O-CG 3.49Å; A552-E556 PolarHBondContact O-N 3.04Å
553	K	69.3	Low	54.7	Low	124 Å²	124	104.4 Å²	104.4	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-70.9	-27.3	179.8	-159.2	167.2	-159.3	164.6	0	113.4	T549 L550 V551 L557	T549-K553 WeakPolarHBondContact O-CB 3.35Å; T549-K553 PolarHBondContact O-N 3.2Å; T549-K553 VanDerWaalsContact O-N 3.11Å; L550-K553 PolarHBondContact O-N 3.19Å; V551-K553 VanDerWaalsContact C-N 3.29Å; V551-K553 PolarHBondContact O-N 3.37Å; K553-L557 WeakPolarHBondContact O-CD1 3.46Å; K553-L557 WeakPolarHBondContact O-CG 3.49Å; K553-L557 PolarHBondContact O-N 3.26Å
554	F	56.3	Low	54	Low	134 Å²	134	107.2 Å²	107.2	59%	0.588	60%	0.604	S	S	*	*	H	α-helix	trans	-69.7	-43	167.6	-88.5	-74.1	0	0	0	111.4	L550 V551 A552 E556 L557 E558	L550-F554 VanDerWaalsContact O-CD2 3.28Å; L550-F554 WeakPolarHBondContact O-CD2 3.25Å; L550-F554 PolarHBondContact O-N 3.07Å; V551-F554 PolarHBondContact O-N 3.47Å; A552-F554 VanDerWaalsContact C-N 3.35Å; A552-F554 PolarHBondContact O-N 3.46Å; F554-E556 PolarHBondContact O-N 3.05Å; F554-L557 WeakPolarHBondContact O-CB 3.41Å; F554-L557 PolarHBondContact O-N 3.28Å; F554-L557 VanDerWaalsContact O-N 3.11Å; F554-E558 PolarHBondContact O-N 3.09Å
555	Q	62.1	Low	53.1	Low	128 Å²	128	110.6 Å²	110.6	60%	0.598	63%	0.627	S	S	*	*	H	α-helix	trans	-67	-34.1	176.5	-70.9	-179	-36.5	0	0	113.4	V551 A552 L557 E558 S559	V551-Q555 PolarHBondContact O-N 2.76Å; A552-Q555 PolarHBondContact O-N 3.19Å; Q555-L557 VanDerWaalsContact C-N 3.31Å; Q555-E558 PolarHBondContact O-N 3.13Å; Q555-S559 PolarHBondContact O-N 2.89Å; Q555-S559 PolarHBondContact O-OG 2.92Å
556	E	59.9	Low	52.1	Low	135 Å²	135	113.1 Å²	113.1	63%	0.631	64%	0.639	S	S	*	*	H	α-helix	trans	-63.4	-35.4	169.3	-74.8	-178.9	161.5	0	0	112.2	A552 F554 S559	A552-E556 WeakPolarHBondContact O-CG 3.49Å; A552-E556 PolarHBondContact O-N 3.04Å; F554-E556 PolarHBondContact O-N 3.05Å; E556-S559 PolarHBondContact O-OG 3.05Å
557	L	54.1	Low	51.1	Low	134 Å²	134	116.8 Å²	116.8	70%	0.702	65%	0.651	S	S	*	*	H	α-helix	trans	-74.2	-31.8	178.1	-75.5	167.5	0	0	0	113	K553 F554 Q555	K553-L557 WeakPolarHBondContact O-CD1 3.46Å; K553-L557 WeakPolarHBondContact O-CG 3.49Å; K553-L557 PolarHBondContact O-N 3.26Å; F554-L557 WeakPolarHBondContact O-CB 3.41Å; F554-L557 PolarHBondContact O-N 3.28Å; F554-L557 VanDerWaalsContact O-N 3.11Å; Q555-L557 VanDerWaalsContact C-N 3.31Å
558	E	51	Low	50.2	Low	164 Å²	164	119.9 Å²	119.9	77%	0.766	66%	0.664	S	S	*	*	H	α-helix	trans	-79.4	-21.7	178.4	-69.4	-172.1	152.7	0	0	114	F554 Q555	F554-E558 PolarHBondContact O-N 3.09Å; Q555-E558 PolarHBondContact O-N 3.13Å
559	S	51.7	Low	49	Very low	94 Å²	94	119.8 Å²	119.8	66%	0.657	68%	0.677	S	S	*	*	H	α-helix	trans	-93.3	-7.1	-179.2	50.1	0	0	0	0	114.4	Q555 E556 N561	Q555-S559 PolarHBondContact O-N 2.89Å; Q555-S559 PolarHBondContact O-OG 2.92Å; E556-S559 PolarHBondContact O-OG 3.05Å; S559-N561 PolarHBondContact O-N 2.98Å
560	G	38.3	Very low	47.3	Very low	61 Å²	61	122.4 Å²	122.4	63%	0.629	69%	0.687	S	S	*	*			trans	-81.2	41	-171.2	0	0	0	0	0	117.9	N562	G560-N562 PolarHBondContact O-N 3.31Å; G560-N562 VanDerWaalsContact O-N 3.08Å
561	N	39.7	Very low	46.1	Very low	148 Å²	148	123.7 Å²	123.7	79%	0.791	70%	0.701	S	S	*	*			trans	-70.5	100.3	174.3	-96	-48.6	0	0	0	112.1	S559	S559-N561 PolarHBondContact O-N 2.98Å
562	N	37.8	Very low	44.6	Very low	167 Å²	167	126.6 Å²	126.6	89%	0.893	71%	0.708	S	S	*	*			trans	-176.7	145.2	137	-95.5	-48.3	0	0	0	112.3	G560	G560-N562 PolarHBondContact O-N 3.31Å; G560-N562 VanDerWaalsContact O-N 3.08Å
563	A	32.9	Very low	43.1	Very low	86 Å²	86	130.8 Å²	130.8	71%	0.711	72%	0.724	S	S	*	*			trans	-93.8	148.5	-177.8	0	0	0	0	0	113.4
564	T	35.4	Very low	41.4	Very low	133 Å²	133	134 Å²	134	82%	0.816	74%	0.741	S	S	*	*				159.6	139.7	113.1	41.6	0	0	0	0	113.4
565	S	34.1	Very low	40.2	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	75%	0.745	S	S	*	*			trans	65.5	148.4	161	-125.1	0	0	0	0	115.9
566	I	36.4	Very low	38.9	Very low	154 Å²	154	132.7 Å²	132.7	79%	0.79	76%	0.757	S	S	*	*			cis	-134.9	161.9	23.1	-71.8	176.2	0	0	0	110.6
567	Q	35.3	Very low	37.6	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	77%	0.767	S	S	*	*			trans	-75.6	153	-178.7	-58	152.6	-36.2	0	0	113.8
568	N	36.9	Very low	36.4	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	77%	0.769	S	S	*	*				175.3	158.2	111.8	-91.5	-48.5	0	0	0	115.8
569	S	36.8	Very low	35.5	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	77%	0.771	S	S	*	*			trans	64	86.1	162.5	32	0	0	0	0	119.8
570	L	31.1	Very low	34.3	Very low	143 Å²	143	140 Å²	140	75%	0.749	77%	0.767	S	S	*	*			trans	-80.4	159.6	152.9	-137.9	71	0	0	0	109.8	Q572	L570-Q572 HydrophobicContact CD2-CG 3.86Å; L570-Q572 HydrophobicContact CG-CG 4.48Å
571	P	35.7	Very low	33.7	Very low	118 Å²	118	145.2 Å²	145.2	77%	0.766	77%	0.773	S	S	*	*				-145.6	126.7	83.1	33.6	-14.2	0	0	0	115.1
572	Q	37.7	Very low	33.1	Very low	145 Å²	145	144.7 Å²	144.7	68%	0.678	77%	0.77	S	S	*	*				94.6	111	84.1	-75.9	-169.7	10.8	0	0	116.4	L570	L570-Q572 HydrophobicContact CD2-CG 3.86Å; L570-Q572 HydrophobicContact CG-CG 4.48Å
573	N	32.2	Very low	32.5	Very low	137 Å²	137	142 Å²	142	73%	0.733	76%	0.764	S	S	*	*			trans	56	112.5	134.9	-55.8	-33.9	0	0	0	121.6
574	Q	33.9	Very low	32.4	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	77%	0.766	S	S	*	*				-163.6	139.8	100.7	-104.3	175.3	7.4	0	0	112.6
575	P	31.9	Very low	32.3	Very low	103 Å²	103	145 Å²	145	67%	0.669	76%	0.762	S	S	*	*			trans	-88	165.8	176.1	35.9	-34.9	0	0	0	113
576	P	34.6	Very low	32.4	Very low	131 Å²	131	145.6 Å²	145.6	85%	0.851	76%	0.761	S	S	*	*			trans	-79.5	143.5	-165.1	30.9	-36.5	0	0	0	114.8
577	H	33	Very low	32.2	Very low	181 Å²	181	141.2 Å²	141.2	84%	0.838	75%	0.754	S	S	*	*			trans	-107.1	128.1	175.1	-97.1	-92.5	0	0	0	113.2
578	R	27.8	Very low	32.2	Very low	196 Å²	196	140 Å²	140	74%	0.74	76%	0.761	S	S	*	*			trans	-83.2	125.5	176	174.2	-178.8	177.8	179.6	-1.5	110.3	Y580	R578-Y580 HydrophobicContact CG-CD2 4.48Å; R578-Y580 HydrophobicContact CG-CE2 4.31Å; R578-Y580 PolarHBondContact NH2-OH 3.25Å
579	I	32.3	Very low	31.8	Very low	158 Å²	158	139.7 Å²	139.7	81%	0.81	76%	0.764	S	S	*	*			trans	-128.7	144.1	172.1	-58.7	-177.7	0	0	0	108.7
580	Y	25.7	Very low	31.8	Very low	146 Å²	146	137 Å²	137	57%	0.573	75%	0.745	S	S	*	*			trans	-112.6	167.3	-174.2	-89	-91.7	0	0	0	112.6	R578	R578-Y580 HydrophobicContact CG-CD2 4.48Å; R578-Y580 HydrophobicContact CG-CE2 4.31Å; R578-Y580 PolarHBondContact NH2-OH 3.25Å
581	F	26.2	Very low	32.3	Very low	171 Å²	171	135.1 Å²	135.1	75%	0.75	75%	0.75	S	S	*	*			trans	85.4	118.7	155.2	-63.2	-62.9	0	0	0	120.8
582	N	27.1	Very low	32.6	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	75%	0.746	S	S	*	*			trans	61.1	109.2	131.9	-59.9	5.2	0	0	0	120.9
583	S	26.2	Very low	32.5	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	75%	0.747	S	S	*	*				31.6	105.7	125.6	-49.7	0	0	0	0	119.1
584	T	30.4	Very low	32.7	Very low	125 Å²	125	129.9 Å²	129.9	77%	0.767	74%	0.736	S	S	*	*				179.4	173	120.8	26.5	0	0	0	0	110.8
585	H	33.2	Very low	33.1	Very low	157 Å²	157	127.6 Å²	127.6	73%	0.727	74%	0.735	S	S	*	*			trans	77.5	83	165.5	-59.9	-67.1	0	0	0	119.8
586	T	35.8	Very low	33.5	Very low	131 Å²	131	128.5 Å²	128.5	80%	0.804	73%	0.729	S	S	*	*				49	94.1	121.4	56.7	0	0	0	0	118.9
587	G	32.6	Very low	33.8	Very low	63 Å²	63	124.6 Å²	124.6	65%	0.649	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-77.5	165.1	147.4	0	0	0	0	0	111.7	T589	G587-T589 PolarHBondContact O-N 2.84Å
588	P	34.7	Very low	34.8	Very low	137 Å²	137	120.6 Å²	120.6	89%	0.89	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-73.7	121.8	-171	28.8	-34.7	0	0	0	113.2	S590	P588-S590 PolarHBondContact O-N 2.99Å
589	T	28.8	Very low	36.7	Very low	137 Å²	137	115.4 Å²	115.4	84%	0.84	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-73.1	117.8	168.8	49.3	0	0	0	0	110.7	G587	G587-T589 PolarHBondContact O-N 2.84Å
590	S	37.9	Very low	38.6	Very low	60 Å²	60	110.1 Å²	110.1	42%	0.42	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-66.5	151.8	159.2	-174.9	0	0	0	0	109.7	P588 N592	P588-S590 PolarHBondContact O-N 2.99Å; S590-N592 PolarHBondContact O-N 3.47Å; S590-N592 VanDerWaalsContact O-N 3.12Å
591	A	40.5	Very low	40.2	Very low	105 Å²	105	111.2 Å²	111.2	87%	0.868	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-5.4	-176.8	0	0	0	0	0	114.6
592	N	41.7	Very low	41.6	Very low	127 Å²	127	105.5 Å²	105.5	68%	0.679	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-5.2	-169.4	-65.7	6	0	0	0	114.4	S590 D594	S590-N592 PolarHBondContact O-N 3.47Å; S590-N592 VanDerWaalsContact O-N 3.12Å; N592-D594 VanDerWaalsContact C-N 3.27Å; N592-D594 WeakPolarHBondContact CB-OD2 3.34Å; N592-D594 PolarHBondContact O-N 2.91Å
593	G	36	Very low	43.6	Very low	67 Å²	67	104.7 Å²	104.7	69%	0.691	65%	0.648	S	S	*	*			trans	79.7	-7.1	178.5	0	0	0	0	0	116.5	V595	G593-V595 PolarHBondContact O-N 3.21Å
594	D	36.2	Very low	45.7	Very low	96 Å²	96	106 Å²	106	51%	0.513	64%	0.643	S	S	.	*			trans	-54.6	123.6	-177.5	-52.9	-64.4	0	0	0	113.5	N592 F596	N592-D594 VanDerWaalsContact C-N 3.27Å; N592-D594 WeakPolarHBondContact CB-OD2 3.34Å; N592-D594 PolarHBondContact O-N 2.91Å; D594-F596 WeakPolarHBondContact O-CD2 3.33Å; D594-F596 PolarHBondContact O-N 3.37Å
595	V	41.8	Very low	47.5	Very low	143 Å²	143	105 Å²	105	87%	0.867	63%	0.631	S	S	*	*			trans	-79.3	102.7	176	179.9	0	0	0	0	109.7	G593	G593-V595 PolarHBondContact O-N 3.21Å
596	F	41.1	Very low	49.3	Very low	121 Å²	121	99.5 Å²	99.5	53%	0.531	61%	0.609	S	S	.	*			trans	-69.9	132.9	178.8	-76.8	-84.7	0	0	0	112.5	D594 S598 V606	D594-F596 WeakPolarHBondContact O-CD2 3.33Å; D594-F596 PolarHBondContact O-N 3.37Å; F596-S598 PolarHBondContact O-N 2.9Å; F596-V606 HydrophobicContact CD1-CG1 4.01Å; F596-V606 HydrophobicContact CE1-CG1 3.81Å
597	P	41.8	Very low	51.1	Low	49 Å²	49	97.3 Å²	97.3	32%	0.318	59%	0.59	S	S	.	*			trans	-65.6	125.5	176.3	26.9	-34.4	0	0	0	110.7	S599 A602 R603	P597-S599 VanDerWaalsContact C-N 3.32Å; P597-S599 PolarHBondContact O-N 3.13Å; P597-A602 HydrophobicContact CB-CB 4Å; P597-A602 HydrophobicContact CG-CB 3.72Å; P597-R603 HydrophobicContact CG-CB 4.47Å
598	S	53	Low	53.1	Low	98 Å²	98	103.1 Å²	103.1	69%	0.685	59%	0.592	S	S	*	*	S	Bend	trans	-66.4	-32.2	-174.3	56.9	0	0	0	0	113.1	F596 R603	F596-S598 PolarHBondContact O-N 2.9Å; S598-R603 WeakPolarHBondContact O-CD 3.4Å; S598-R603 PolarHBondContact O-NH1 3.47Å
599	S	68.6	Low	54.7	Low	87 Å²	87	102.5 Å²	102.5	61%	0.608	57%	0.572	S	S	*	*	S	Bend	trans	-148.5	-179.1	-178.8	68.4	0	0	0	0	112.3	P597	P597-S599 VanDerWaalsContact C-N 3.32Å; P597-S599 PolarHBondContact O-N 3.13Å
600	G	71.1	Confident	56.8	Low	47 Å²	47	101.2 Å²	101.2	49%	0.485	56%	0.56	S	S	.	*	H	α-helix	trans	84.2	-174.5	170.8	0	0	0	0	0	116.8	A602 R603 Q604	G600-A602 VanDerWaalsContact C-N 3.27Å; G600-A602 PolarHBondContact O-N 3.39Å; G600-R603 PolarHBondContact O-N 2.91Å; G600-R603 VanDerWaalsContact O-N 3.12Å; G600-Q604 PolarHBondContact O-N 3.4Å
601	R	58.7	Low	58.8	Low	168 Å²	168	106 Å²	106	63%	0.634	57%	0.573	S	S	*	*	H	α-helix	trans	-60.1	-32.8	-174.2	-168.9	171.2	173.2	173.7	-6.6	112.6	D272 Q604 L605	D272-R601 IonicContact OD1-NH2 3.53Å; D272-R601 PolarHBondContact OD1-NH2 3.17Å; D272-R601 IonicContact OD2-NH2 2.65Å; R601-Q604 PolarHBondContact O-N 2.95Å; R601-L605 PolarHBondContact O-N 2.86Å
602	A	57.5	Low	60	Low	51 Å²	51	104.9 Å²	104.9	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-39.5	175.5	0	0	0	0	0	112.9	P597 G600 Q604 L605 V606	P597-A602 HydrophobicContact CB-CB 4Å; P597-A602 HydrophobicContact CG-CB 3.72Å; G600-A602 VanDerWaalsContact C-N 3.27Å; G600-A602 PolarHBondContact O-N 3.39Å; A602-Q604 VanDerWaalsContact C-N 3.34Å; A602-Q604 PolarHBondContact O-N 3.29Å; A602-L605 WeakPolarHBondContact O-CB 3.37Å; A602-L605 PolarHBondContact O-N 3.03Å; A602-V606 PolarHBondContact O-N 2.83Å
603	R	68.3	Low	61.1	Low	121 Å²	121	102.7 Å²	102.7	46%	0.457	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-37.1	174.4	-177.6	174.1	171.4	152.7	4.7	112.2	P597 S598 G600 L605 V606 E607	P597-R603 HydrophobicContact CG-CB 4.47Å; S598-R603 WeakPolarHBondContact O-CD 3.4Å; S598-R603 PolarHBondContact O-NH1 3.47Å; G600-R603 PolarHBondContact O-N 2.91Å; G600-R603 VanDerWaalsContact O-N 3.12Å; R603-L605 VanDerWaalsContact C-N 3.33Å; R603-V606 PolarHBondContact O-N 2.77Å; R603-E607 IonicContact CZ-OE1 3.95Å; R603-E607 IonicContact NE-OE1 3.17Å; R603-E607 PolarHBondContact NE-OE1 3Å; R603-E607 IonicContact NH2-OE1 3.78Å; R603-E607 PolarHBondContact O-N 2.85Å
604	Q	70.9	Confident	62.2	Low	137 Å²	137	105.2 Å²	105.2	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-65	-36.5	174.2	-63.4	179.9	-2	0	0	112	G600 R601 A602 E607 R608	G600-Q604 PolarHBondContact O-N 3.4Å; R601-Q604 PolarHBondContact O-N 2.95Å; A602-Q604 VanDerWaalsContact C-N 3.34Å; A602-Q604 PolarHBondContact O-N 3.29Å; Q604-E607 PolarHBondContact O-N 2.8Å; Q604-R608 WeakPolarHBondContact O-CB 3.32Å; Q604-R608 PolarHBondContact O-N 3.2Å
605	L	67	Low	63.5	Low	102 Å²	102	107.9 Å²	107.9	53%	0.534	55%	0.55	S	S	.	*	H	α-helix	trans	-63.7	-45.7	172.2	-77	165.6	0	0	0	111.8	R601 A602 R603 E607 R608 W609	R601-L605 PolarHBondContact O-N 2.86Å; A602-L605 WeakPolarHBondContact O-CB 3.37Å; A602-L605 PolarHBondContact O-N 3.03Å; R603-L605 VanDerWaalsContact C-N 3.33Å; L605-E607 PolarHBondContact O-N 3.46Å; L605-R608 WeakPolarHBondContact O-CB 3.21Å; L605-R608 PolarHBondContact O-N 3.34Å; L605-R608 VanDerWaalsContact O-N 3.14Å; L605-W609 WeakPolarHBondContact O-CB 3.26Å; L605-W609 PolarHBondContact O-N 2.96Å
606	V	71	Confident	64.2	Low	43 Å²	43	104.6 Å²	104.6	26%	0.261	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-45.1	174.4	171.2	0	0	0	0	111.6	F596 A602 R603 R608 W609 N610	F596-V606 HydrophobicContact CD1-CG1 4.01Å; F596-V606 HydrophobicContact CE1-CG1 3.81Å; A602-V606 PolarHBondContact O-N 2.83Å; R603-V606 PolarHBondContact O-N 2.77Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 2.86Å; V606-W609 PolarHBondContact O-N 3.35Å; V606-N610 WeakPolarHBondContact O-CB 3.13Å; V606-N610 PolarHBondContact O-N 3.33Å; V606-N610 PolarHBondContact O-ND2 3.45Å
607	E	73.8	Confident	64.8	Low	84 Å²	84	100.8 Å²	100.8	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-24.7	176.4	-73.2	-176.7	-155.6	0	0	113.3	R603 Q604 L605 K611	R603-E607 IonicContact CZ-OE1 3.95Å; R603-E607 IonicContact NE-OE1 3.17Å; R603-E607 PolarHBondContact NE-OE1 3Å; R603-E607 IonicContact NH2-OE1 3.78Å; R603-E607 PolarHBondContact O-N 2.85Å; Q604-E607 PolarHBondContact O-N 2.8Å; L605-E607 PolarHBondContact O-N 3.46Å; E607-K611 VanDerWaalsContact O-CD 3.26Å; E607-K611 WeakPolarHBondContact O-CD 3.45Å; E607-K611 VanDerWaalsContact O-CG 3.24Å; E607-K611 WeakPolarHBondContact O-CG 3.47Å
608	R	75.8	Confident	65.1	Low	186 Å²	186	104 Å²	104	70%	0.702	52%	0.523	S	S	*	.	H	α-helix	trans	-76.8	-40.5	171.7	-168.5	177.9	-171.8	179.5	1.9	111.4	Q604 L605 V606 K611 M612	Q604-R608 WeakPolarHBondContact O-CB 3.32Å; Q604-R608 PolarHBondContact O-N 3.2Å; L605-R608 WeakPolarHBondContact O-CB 3.21Å; L605-R608 PolarHBondContact O-N 3.34Å; L605-R608 VanDerWaalsContact O-N 3.14Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 2.86Å; R608-K611 PolarHBondContact O-N 2.89Å; R608-M612 PolarHBondContact O-N 3.32Å
609	W	68.2	Low	65	Low	124 Å²	124	103.4 Å²	103.4	47%	0.47	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-43.3	177.4	-150.5	79.4	0	0	0	111.4	L605 V606 K611 M612 Q617 V620	L605-W609 WeakPolarHBondContact O-CB 3.26Å; L605-W609 PolarHBondContact O-N 2.96Å; V606-W609 PolarHBondContact O-N 3.35Å; W609-K611 PolarHBondContact O-N 3.13Å; W609-K611 VanDerWaalsContact O-N 3.14Å; W609-M612 WeakPolarHBondContact O-CB 3.47Å; W609-M612 PolarHBondContact O-N 3.08Å; W609-M612 VanDerWaalsContact O-N 3.09Å; W609-Q617 PolarHBondContact O-NE2 3.14Å; W609-V620 HydrophobicContact CZ2-CG1 4.47Å
610	N	71.7	Confident	63.9	Low	109 Å²	109	102.6 Å²	102.6	58%	0.583	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.8	173.6	-72.4	-27	0	0	0	114.3	V606	V606-N610 WeakPolarHBondContact O-CB 3.13Å; V606-N610 PolarHBondContact O-N 3.33Å; V606-N610 PolarHBondContact O-ND2 3.45Å
611	K	79.8	Confident	62.5	Low	162 Å²	162	102 Å²	102	70%	0.704	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.2	173.5	-72.6	170.8	-170.9	162	0	113.5	E607 R608 W609	E607-K611 VanDerWaalsContact O-CD 3.26Å; E607-K611 WeakPolarHBondContact O-CD 3.45Å; E607-K611 VanDerWaalsContact O-CG 3.24Å; E607-K611 WeakPolarHBondContact O-CG 3.47Å; R608-K611 PolarHBondContact O-N 2.89Å; W609-K611 PolarHBondContact O-N 3.13Å; W609-K611 VanDerWaalsContact O-N 3.14Å
612	M	65.1	Low	61.5	Low	80 Å²	80	102 Å²	102	39%	0.394	50%	0.5	S	S	.	.	S	Bend	trans	-70.9	148	170	-87.9	-172.7	145.5	0	0	111.3	R608 W609 N616 Q617	R608-M612 PolarHBondContact O-N 3.32Å; W609-M612 WeakPolarHBondContact O-CB 3.47Å; W609-M612 PolarHBondContact O-N 3.08Å; W609-M612 VanDerWaalsContact O-N 3.09Å; M612-N616 HydrophobicContact CB-CB 4.35Å; M612-N616 HydrophobicContact CE-CB 4.22Å; M612-N616 HydrophobicContact CG-CB 4.46Å; M612-N616 HydrophobicContact SD-CB 3.97Å; M612-Q617 HydrophobicContact CB-CG 4.09Å
613	P	65.3	Low	60.5	Low	82 Å²	82	103.6 Å²	103.6	53%	0.532	50%	0.504	S	S	.	.			trans	-56.4	144.1	165	-22.6	33.6	0	0	0	111.4	E615 N616 Q617	P613-E615 PolarHBondContact O-N 3.25Å; P613-E615 VanDerWaalsContact O-N 3.1Å; P613-N616 WeakPolarHBondContact O-CB 3.46Å; P613-N616 PolarHBondContact O-N 3.32Å; P613-Q617 PolarHBondContact O-N 2.84Å
614	L	59.1	Low	58.9	Low	119 Å²	119	100.9 Å²	100.9	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-52.6	-35.5	179.9	-107.3	74.4	0	0	0	113.1	N616 Q617 Q618	L614-N616 VanDerWaalsContact C-N 3.28Å; L614-N616 PolarHBondContact O-N 2.99Å; L614-Q617 PolarHBondContact O-N 2.74Å; L614-Q618 WeakPolarHBondContact O-CB 3.41Å; L614-Q618 VanDerWaalsContact O-CG 3.31Å; L614-Q618 WeakPolarHBondContact O-CG 3.42Å; L614-Q618 PolarHBondContact O-N 3.36Å
615	E	63.5	Low	57.3	Low	152 Å²	152	98.5 Å²	98.5	71%	0.71	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-35.1	180	-162.4	160	-156.7	0	0	112	P613 T619	P613-E615 PolarHBondContact O-N 3.25Å; P613-E615 VanDerWaalsContact O-N 3.1Å; E615-T619 PolarHBondContact O-N 3.31Å; E615-T619 VanDerWaalsContact O-N 3.12Å; E615-T619 PolarHBondContact O-OG1 2.87Å
616	N	56.7	Low	55.9	Low	74 Å²	74	100.4 Å²	100.4	40%	0.396	51%	0.512	S	S	.	.	H	α-helix	trans	-75.5	-41.6	174.9	-67.8	-2.1	0	0	0	111.3	M612 P613 L614 Q618 T619 V620	M612-N616 HydrophobicContact CB-CB 4.35Å; M612-N616 HydrophobicContact CE-CB 4.22Å; M612-N616 HydrophobicContact CG-CB 4.46Å; M612-N616 HydrophobicContact SD-CB 3.97Å; P613-N616 WeakPolarHBondContact O-CB 3.46Å; P613-N616 PolarHBondContact O-N 3.32Å; L614-N616 VanDerWaalsContact C-N 3.28Å; L614-N616 PolarHBondContact O-N 2.99Å; N616-Q618 VanDerWaalsContact C-N 3.34Å; N616-Q618 PolarHBondContact O-N 3.25Å; N616-T619 WeakPolarHBondContact O-CB 3.48Å; N616-T619 PolarHBondContact O-N 2.82Å; N616-T619 VanDerWaalsContact O-N 3.17Å; N616-V620 PolarHBondContact O-N 3.43Å; N616-V620 VanDerWaalsContact O-N 3.11Å
617	Q	53.1	Low	54.4	Low	41 Å²	41	104.6 Å²	104.6	19%	0.192	53%	0.532	C	S	.	.	H	α-helix	trans	-59.9	-43.8	174.9	-67.2	177.2	-16.2	0	0	111.4	W609 M612 P613 L614 T619 V620 G621	W609-Q617 PolarHBondContact O-NE2 3.14Å; M612-Q617 HydrophobicContact CB-CG 4.09Å; P613-Q617 PolarHBondContact O-N 2.84Å; L614-Q617 PolarHBondContact O-N 2.74Å; Q617-T619 VanDerWaalsContact C-N 3.3Å; Q617-T619 PolarHBondContact O-N 2.86Å; Q617-V620 PolarHBondContact O-N 2.88Å; Q617-G621 PolarHBondContact O-N 3.26Å
618	Q	48.7	Very low	52.5	Low	118 Å²	118	108 Å²	108	55%	0.551	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-33.2	175.5	-73.1	178.6	9.4	0	0	112.7	L614 N616 G621 R622	L614-Q618 WeakPolarHBondContact O-CB 3.41Å; L614-Q618 VanDerWaalsContact O-CG 3.31Å; L614-Q618 WeakPolarHBondContact O-CG 3.42Å; L614-Q618 PolarHBondContact O-N 3.36Å; N616-Q618 VanDerWaalsContact C-N 3.34Å; N616-Q618 PolarHBondContact O-N 3.25Å; Q618-G621 PolarHBondContact O-N 2.82Å; Q618-R622 PolarHBondContact O-N 2.87Å
619	T	52	Low	50.4	Low	84 Å²	84	101.3 Å²	101.3	52%	0.515	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-46.5	176.4	-59.8	0	0	0	0	111.2	E615 N616 Q617 G621 R622 V623	E615-T619 PolarHBondContact O-N 3.31Å; E615-T619 VanDerWaalsContact O-N 3.12Å; E615-T619 PolarHBondContact O-OG1 2.87Å; N616-T619 WeakPolarHBondContact O-CB 3.48Å; N616-T619 PolarHBondContact O-N 2.82Å; N616-T619 VanDerWaalsContact O-N 3.17Å; Q617-T619 VanDerWaalsContact C-N 3.3Å; Q617-T619 PolarHBondContact O-N 2.86Å; T619-G621 VanDerWaalsContact C-N 3.34Å; T619-G621 PolarHBondContact O-N 2.83Å; T619-R622 PolarHBondContact O-N 2.97Å; T619-V623 PolarHBondContact O-N 2.79Å
620	V	44.6	Very low	48.7	Very low	71 Å²	71	105.1 Å²	105.1	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-41.2	175.2	178.5	0	0	0	0	111.4	W609 N616 Q617 R622 V623 A624	W609-V620 HydrophobicContact CZ2-CG1 4.47Å; N616-V620 PolarHBondContact O-N 3.43Å; N616-V620 VanDerWaalsContact O-N 3.11Å; Q617-V620 PolarHBondContact O-N 2.88Å; V620-R622 VanDerWaalsContact C-N 3.29Å; V620-R622 PolarHBondContact O-N 3.1Å; V620-V623 PolarHBondContact O-N 2.9Å; V620-A624 PolarHBondContact O-N 2.84Å
621	G	42.2	Very low	46.8	Very low	35 Å²	35	106 Å²	106	36%	0.361	57%	0.574	S	S	.	*	H	α-helix	trans	-62.1	-29.1	178.2	0	0	0	0	0	114.7	Q617 Q618 T619 S625	Q617-G621 PolarHBondContact O-N 3.26Å; Q618-G621 PolarHBondContact O-N 2.82Å; T619-G621 VanDerWaalsContact C-N 3.34Å; T619-G621 PolarHBondContact O-N 2.83Å; G621-S625 PolarHBondContact O-N 3Å; G621-S625 PolarHBondContact O-OG 3.01Å
622	R	37	Very low	44.5	Very low	167 Å²	167	106.8 Å²	106.8	63%	0.63	58%	0.579	S	S	*	*	H	α-helix	trans	-70.7	-47.4	172.8	-73.3	-171.6	-169.9	170.9	7.5	112.2	Q618 T619 V620 A624 S625 E626	Q618-R622 PolarHBondContact O-N 2.87Å; T619-R622 PolarHBondContact O-N 2.97Å; V620-R622 VanDerWaalsContact C-N 3.29Å; V620-R622 PolarHBondContact O-N 3.1Å; R622-A624 VanDerWaalsContact C-N 3.29Å; R622-A624 PolarHBondContact O-N 3.04Å; R622-S625 CarbonylContact O-C 3.57Å; R622-S625 WeakPolarHBondContact O-CA 3.44Å; R622-S625 WeakPolarHBondContact O-CB 3.5Å; R622-S625 PolarHBondContact O-N 3.39Å; R622-E626 WeakPolarHBondContact O-CG 3.22Å; R622-E626 PolarHBondContact O-N 2.89Å
623	V	36.8	Very low	42.8	Very low	85 Å²	85	108.9 Å²	108.9	52%	0.515	60%	0.596	S	S	.	*	H	α-helix	trans	-57.8	-43.6	-179.5	179.7	0	0	0	0	110.9	T619 V620 S625 E626 I627	T619-V623 PolarHBondContact O-N 2.79Å; V620-V623 PolarHBondContact O-N 2.9Å; V623-S625 VanDerWaalsContact C-N 3.28Å; V623-S625 PolarHBondContact O-N 2.86Å; V623-E626 PolarHBondContact O-N 3.3Å; V623-I627 HydrophobicContact CG1-CD1 4.35Å; V623-I627 WeakPolarHBondContact O-CD1 3.47Å; V623-I627 WeakPolarHBondContact O-CG1 3.27Å
624	A	34.1	Very low	41.1	Very low	64 Å²	64	111.8 Å²	111.8	53%	0.529	61%	0.607	S	S	.	*	H	α-helix	trans	-64	-29.6	174.9	0	0	0	0	0	113.8	V620 R622	V620-A624 PolarHBondContact O-N 2.84Å; R622-A624 VanDerWaalsContact C-N 3.29Å; R622-A624 PolarHBondContact O-N 3.04Å
625	S	37.1	Very low	39.7	Very low	86 Å²	86	113.9 Å²	113.9	60%	0.601	62%	0.619	S	S	*	*	H	α-helix	trans	-80.7	-28.6	178.5	-57.3	0	0	0	0	113.2	G621 R622 V623	G621-S625 PolarHBondContact O-N 3Å; G621-S625 PolarHBondContact O-OG 3.01Å; R622-S625 CarbonylContact O-C 3.57Å; R622-S625 WeakPolarHBondContact O-CA 3.44Å; R622-S625 WeakPolarHBondContact O-CB 3.5Å; R622-S625 PolarHBondContact O-N 3.39Å; V623-S625 VanDerWaalsContact C-N 3.28Å; V623-S625 PolarHBondContact O-N 2.86Å
626	E	37.5	Very low	38.1	Very low	143 Å²	143	114.8 Å²	114.8	67%	0.668	62%	0.623	S	S	*	*	H	α-helix	trans	-80.3	-18.3	-175.9	-74	171.2	175.7	0	0	113.2	R622 V623	R622-E626 WeakPolarHBondContact O-CG 3.22Å; R622-E626 PolarHBondContact O-N 2.89Å; V623-E626 PolarHBondContact O-N 3.3Å
627	I	39.4	Very low	36.9	Very low	130 Å²	130	122.7 Å²	122.7	67%	0.667	65%	0.647	S	S	*	*	H	α-helix	trans	-79.4	-35.1	178.2	-64.4	164.1	0	0	0	112	V623	V623-I627 HydrophobicContact CG1-CD1 4.35Å; V623-I627 WeakPolarHBondContact O-CD1 3.47Å; V623-I627 WeakPolarHBondContact O-CG1 3.27Å
628	N	34.5	Very low	35.7	Very low	155 Å²	155	130.6 Å²	130.6	83%	0.829	68%	0.681	S	S	*	*	S	Bend	trans	-103.5	30.9	-175.6	-80.8	-28.3	0	0	0	114.1
629	G	31.6	Very low	34.9	Very low	46 Å²	46	134.6 Å²	134.6	47%	0.474	70%	0.696	S	S	.	*	S	Bend	trans	-129.3	129.6	-179.8	0	0	0	0	0	113.4
630	K	32.6	Very low	34	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	71%	0.709	S	S	*	*			trans	-55.4	136	176.2	-71.2	176.9	178.1	175.2	0	110.9	H632	K630-H632 PolarHBondContact O-N 2.74Å
631	P	31.6	Very low	33.4	Very low	128 Å²	128	140.1 Å²	140.1	83%	0.831	73%	0.726	S	S	*	*			trans	-66.1	109.6	-172.3	25.8	-34.8	0	0	0	111.7	V633	P631-V633 PolarHBondContact O-N 3.33Å
632	H	32	Very low	33	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	75%	0.747	S	S	*	*			trans	-75.7	121	175.8	-165.5	-67.8	0	0	0	110.4	K630 L634	K630-H632 PolarHBondContact O-N 2.74Å; H632-L634 PolarHBondContact O-N 3.46Å
633	V	29	Very low	32.9	Very low	125 Å²	125	144.6 Å²	144.6	76%	0.758	75%	0.753	S	S	*	*			trans	-65.5	115.7	-179.1	178.5	0	0	0	0	110.7	P631	P631-V633 PolarHBondContact O-N 3.33Å
634	L	29.8	Very low	32.8	Very low	143 Å²	143	146.7 Å²	146.7	75%	0.749	77%	0.768	S	S	*	*			trans	-156.2	89	155.1	-151.7	83.1	0	0	0	113.1	H632	H632-L634 PolarHBondContact O-N 3.46Å
635	N	30.4	Very low	32.9	Very low	163 Å²	163	152.8 Å²	152.8	87%	0.872	78%	0.783	S	S	*	*			trans	-148.8	138.7	149.9	-133.7	-38.4	0	0	0	112.5
636	Q	29	Very low	32.6	Very low	170 Å²	170	153.7 Å²	153.7	79%	0.794	80%	0.795	S	S	*	*			trans	-96.8	114.5	-159.9	-61.4	177.8	7.9	0	0	112.4
637	R	32.2	Very low	32.5	Very low	240 Å²	240	153 Å²	153	91%	0.906	81%	0.806	S	S	*	*			trans	-130.8	129.9	156.9	-74.3	-168.1	172.5	176.7	0.2	111	F639	R637-F639 PolarHBondContact O-N 3.01Å
638	K	28.2	Very low	32.4	Very low	208 Å²	208	151.4 Å²	151.4	90%	0.904	81%	0.813	S	S	*	*			trans	-63.9	126.7	-172.9	-63.1	172.5	179.6	175.5	0	111
639	F	32.1	Very low	32.1	Very low	201 Å²	201	155.4 Å²	155.4	88%	0.882	82%	0.816	S	S	*	*			trans	-119.8	145.8	154.5	-95.6	-90.5	0	0	0	109.5	R637	R637-F639 PolarHBondContact O-N 3.01Å
640	I	32.1	Very low	32.3	Very low	151 Å²	151	163 Å²	163	77%	0.774	84%	0.836	S	S	*	*			trans	-93.5	126.8	-173	-60.9	169.7	0	0	0	108.5
641	P	31.5	Very low	32.2	Very low	121 Å²	121	158.8 Å²	158.8	79%	0.786	83%	0.83	S	S	*	*			trans	-68.6	139.9	173.8	-16.6	30.6	0	0	0	111.6
642	V	35.6	Very low	32.2	Very low	133 Å²	133	159.9 Å²	159.9	81%	0.806	83%	0.834	S	S	*	*			trans	-117.2	122.7	166.7	178.6	0	0	0	0	108
643	E	33.6	Very low	32.2	Very low	163 Å²	163	158.6 Å²	158.6	76%	0.762	83%	0.828	S	S	*	*			trans	-75.3	130	-175.6	-59.2	-179.3	146.5	0	0	112.7	K645	E643-K645 PolarHBondContact O-N 3.42Å
644	P	35.4	Very low	32.5	Very low	128 Å²	128	159 Å²	159	83%	0.831	82%	0.822	S	S	*	*			trans	-81.6	107	161.7	31.6	-29.8	0	0	0	109.8	A646	P644-A646 PolarHBondContact O-N 2.86Å
645	K	35.8	Very low	32.7	Very low	192 Å²	192	160.5 Å²	160.5	84%	0.835	82%	0.822	S	S	*	*			trans	-66.4	128.9	178.2	-74.7	-179	176.2	176	0	111.9	E643	E643-K645 PolarHBondContact O-N 3.42Å
646	A	30.3	Very low	32.8	Very low	105 Å²	105	158 Å²	158	87%	0.868	82%	0.815	S	S	*	*			trans	-70.9	146.2	171.5	0	0	0	0	0	112	P644	P644-A646 PolarHBondContact O-N 2.86Å
647	S	35.9	Very low	33	Very low	128 Å²	128	159.3 Å²	159.3	90%	0.895	82%	0.818	S	S	*	*			trans	-136.3	154.4	161.2	-167.7	0	0	0	0	109.7
648	A	36.4	Very low	33	Very low	97 Å²	97	156.6 Å²	156.6	80%	0.802	82%	0.816	S	S	*	*			trans	-89.7	153.2	-152.3	0	0	0	0	0	115.8
649	R	29.6	Very low	33.1	Very low	239 Å²	239	154.4 Å²	154.4	90%	0.902	81%	0.813	S	S	*	*			trans	-60.9	145.5	171.7	-57.3	171.6	177	175.1	-3.1	112.2
650	K	35.2	Very low	33	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	81%	0.808	S	S	*	*				-141.6	131.2	127.5	-74	-161.5	178.9	-177.8	0	109.9
651	P	30.7	Very low	32.9	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	80%	0.804	S	S	*	*			trans	-90.3	154	174.1	36.1	-33.3	0	0	0	111.8
652	V	32.5	Very low	33.1	Very low	150 Å²	150	151.6 Å²	151.6	91%	0.909	81%	0.808	S	S	*	*			trans	-135	147.6	159.8	-179	0	0	0	0	107.4
653	E	31.3	Very low	33	Very low	150 Å²	150	153 Å²	153	70%	0.701	81%	0.811	S	S	*	*			trans	-125.9	163.5	-166.8	-168.9	-160.5	-127.9	0	0	109.8
654	Q	35.9	Very low	32.9	Very low	134 Å²	134	155.4 Å²	155.4	63%	0.626	82%	0.818	S	S	*	*			trans	74.6	146.2	170.4	-46.2	-177.7	36.5	0	0	114.5
655	K	33.3	Very low	33	Very low	174 Å²	174	156.7 Å²	156.7	76%	0.757	81%	0.813	S	S	*	*			cis	-158.4	155.7	-8.1	-116.3	163.9	-171.5	151.7	0	108.3
656	P	31.8	Very low	33	Very low	111 Å²	111	154.7 Å²	154.7	72%	0.721	81%	0.812	S	S	*	*			trans	-96.9	159.6	-176.7	36.5	-35	0	0	0	115.3
657	K	33.5	Very low	33.1	Very low	197 Å²	197	158 Å²	158	86%	0.857	81%	0.807	S	S	*	*			trans	117	145.2	154.3	-66	-177.7	177.5	-176.6	0	118.1
658	Q	33	Very low	32.9	Very low	184 Å²	184	156.9 Å²	156.9	86%	0.86	80%	0.799	S	S	*	*			trans	84.9	151.5	159	-76.5	179	-25.7	0	0	121.1
659	L	30.4	Very low	32.8	Very low	162 Å²	162	161.8 Å²	161.8	85%	0.848	81%	0.805	S	S	*	*			trans	67.6	112.8	-176.3	-53.2	176.1	0	0	0	114.1
660	V	28.7	Very low	33.1	Very low	126 Å²	126	159.4 Å²	159.4	76%	0.764	80%	0.801	S	S	*	*			cis	82.9	130.5	26.3	-169.3	0	0	0	0	114.3
661	S	31.4	Very low	33.2	Very low	101 Å²	101	154.5 Å²	154.5	71%	0.706	79%	0.79	S	S	*	*			trans	81.2	153.6	179.6	-21	0	0	0	0	115.6
662	E	35.6	Very low	33.3	Very low	186 Å²	186	157 Å²	157	87%	0.869	79%	0.792	S	S	*	*			trans	67	123.6	177.3	-59.8	176.6	-159.2	0	0	115.3
663	L	33.9	Very low	33.4	Very low	164 Å²	164	156.5 Å²	156.5	86%	0.859	78%	0.784	S	S	*	*			cis	-122.8	138.5	0.9	-69.4	94.7	0	0	0	112
664	K	30.7	Very low	33.4	Very low	212 Å²	212	158.3 Å²	158.3	92%	0.922	79%	0.792	S	S	*	*			trans	-145.1	88.3	165.6	-164.1	-179.1	-171.8	-178.2	0	109.2
665	Q	37	Very low	33.3	Very low	155 Å²	155	156 Å²	156	72%	0.724	80%	0.796	S	S	*	*			trans	-145.5	159.4	177	-99.1	172.4	7.4	0	0	109.4	F667	Q665-F667 HydrophobicContact CG-CE2 4.09Å
666	N	35.4	Very low	33.1	Very low	151 Å²	151	158.3 Å²	158.3	81%	0.807	80%	0.801	S	S	*	*			trans	67.1	70.6	-163.2	-48	-20.9	0	0	0	110.5
667	F	33.6	Very low	32.9	Very low	175 Å²	175	157 Å²	157	77%	0.768	79%	0.794	S	S	*	*				46.6	101.7	70.2	-61.5	-69.7	0	0	0	111.1	Q665	Q665-F667 HydrophobicContact CG-CE2 4.09Å
668	S	30.4	Very low	32.7	Very low	103 Å²	103	153 Å²	153	72%	0.72	79%	0.791	S	S	*	*			cis	74.2	94.1	38	-168	0	0	0	0	114.4
669	H	35.4	Very low	33	Very low	200 Å²	200	148.6 Å²	148.6	93%	0.926	78%	0.781	S	S	*	*			trans	-137.1	158.3	152.1	-100.7	-88.7	0	0	0	109.3
670	K	34.8	Very low	33.1	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	78%	0.78	S	S	*	*			trans	-106.3	167.1	-165.7	-107.1	-164.3	167.3	-161.6	0	113
671	P	38.8	Very low	33.4	Very low	101 Å²	101	148.4 Å²	148.4	66%	0.656	78%	0.779	S	S	*	*			trans	-89	172.2	-177.7	39.2	-37.1	0	0	0	112.8
672	E	31.3	Very low	33.6	Very low	171 Å²	171	149.3 Å²	149.3	80%	0.799	78%	0.78	S	S	*	*			trans	-174.2	171.4	139.3	-102.4	141.4	-141.1	0	0	111
673	D	35.8	Very low	33.5	Very low	139 Å²	139	148.4 Å²	148.4	74%	0.743	78%	0.776	S	S	*	*			trans	72	93.9	162.4	-55.3	-15.4	0	0	0	123.7
674	E	30	Very low	33.4	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	77%	0.768	S	S	*	*				57.2	145.3	116.3	-64.2	-162.9	164.1	0	0	126.4
675	A	34.6	Very low	33.5	Very low	85 Å²	85	139.4 Å²	139.4	70%	0.702	76%	0.758	S	S	*	*			trans	98.4	119.2	140	0	0	0	0	0	121.8
676	Y	29.3	Very low	33.4	Very low	223 Å²	223	140.8 Å²	140.8	88%	0.875	76%	0.761	S	S	*	*			trans	55.5	146.7	142.3	-93.9	-121.8	0	0	0	120.3
677	C	27.8	Very low	33.1	Very low	84 Å²	84	141.1 Å²	141.1	57%	0.568	76%	0.761	S	S	*	*			cis	177	147.9	-21.3	-115.6	0	0	0	0	107.4
678	S	29.3	Very low	32.9	Very low	112 Å²	112	136 Å²	136	78%	0.783	76%	0.758	S	S	*	*			trans	63.1	152.8	148.7	-58.7	0	0	0	0	119.3
679	S	38.4	Very low	33.1	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	77%	0.766	S	S	*	*			cis	-161.7	174.6	-7.3	41.1	0	0	0	0	110.5
680	E	32.7	Very low	32.7	Very low	177 Å²	177	140.8 Å²	140.8	83%	0.827	76%	0.762	S	S	*	*			trans	13.3	149.4	136.8	-56.7	164.7	142.3	0	0	119.4
681	S	34.5	Very low	32.6	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	76%	0.763	S	S	*	*			cis	-169.5	-173.1	-2.6	52	0	0	0	0	106.6
682	T	36.7	Very low	32.2	Very low	120 Å²	120	140.7 Å²	140.7	74%	0.736	77%	0.767	S	S	*	*			cis	-134.9	158.8	8.8	25.2	0	0	0	0	108.9
683	E	33.5	Very low	32.4	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	77%	0.767	S	S	*	*				83.1	147.9	59.3	-142	-129.5	129.6	0	0	116.4
684	C	32.1	Very low	32	Very low	101 Å²	101	139.8 Å²	139.8	68%	0.682	77%	0.772	S	S	*	*			trans	74	74.1	162	-110.4	0	0	0	0	123.6
685	A	32.8	Very low	32.1	Very low	87 Å²	87	134.5 Å²	134.5	72%	0.719	77%	0.768	S	S	*	*				79.5	163.8	105.4	0	0	0	0	0	124.7
686	K	33.5	Very low	32	Very low	184 Å²	184	139.6 Å²	139.6	80%	0.8	77%	0.774	S	S	*	*			trans	97.4	110	152.3	-76.3	174.5	177.8	165.6	0	121.9
687	I	30.2	Very low	32	Very low	157 Å²	157	135.1 Å²	135.1	81%	0.805	77%	0.77	S	S	*	*			trans	83.5	122.7	130	-62.1	165.5	0	0	0	119.2
688	G	29	Very low	32.3	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	78%	0.78	S	S	*	*			trans	92.1	149.7	150.4	0	0	0	0	0	115.6
689	Q	34.4	Very low	32.5	Very low	190 Å²	190	139 Å²	139	89%	0.888	78%	0.78	S	S	*	*			cis	-152.2	168.4	-6.1	-115.2	173.1	-5	0	0	109.6
690	Y	26.4	Very low	32.3	Very low	214 Å²	214	143.9 Å²	143.9	84%	0.839	79%	0.79	S	S	*	*			trans	-56.4	147.6	170	-73.4	-108.7	0	0	0	111.1
691	H	33.1	Very low	32.4	Very low	185 Å²	185	140.8 Å²	140.8	86%	0.856	79%	0.785	S	S	*	*				-171.4	138.6	113.4	-100.5	-69.6	0	0	0	111.9
692	S	30.6	Very low	32.5	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	79%	0.79	S	S	*	*			trans	-102.5	135.3	170	172.6	0	0	0	0	109.8
693	T	35.5	Very low	32.4	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	80%	0.796	S	S	*	*			trans	-157.1	118.1	160.9	13.1	0	0	0	0	114
694	N	28.3	Very low	32.4	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	79%	0.791	S	S	*	*			trans	-23.4	142	161.4	-54.3	-39.5	0	0	0	118.6
695	G	31.4	Very low	32.4	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	80%	0.8	S	S	*	*			trans	-161.6	57.4	178.8	0	0	0	0	0	118.9
696	K	32.3	Very low	32.4	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	81%	0.805	S	S	*	*			trans	34	107.2	142.9	-74.5	-176.4	178.5	-177.8	0	120.2
697	T	29.8	Very low	32.4	Very low	130 Å²	130	146.7 Å²	146.7	80%	0.798	81%	0.811	S	S	*	*				84.4	109.8	79.9	59.3	0	0	0	0	118
698	S	34.1	Very low	32.7	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	80%	0.8	S	S	*	*			trans	-167	111.2	142.7	43.3	0	0	0	0	107.9
699	E	32.6	Very low	33.2	Very low	167 Å²	167	147.1 Å²	147.1	78%	0.78	80%	0.799	S	S	*	*				78.8	105.4	80.1	-77.6	-170	169.8	0	0	115.3
700	F	34.1	Very low	33.5	Very low	196 Å²	196	144.2 Å²	144.2	86%	0.86	79%	0.794	S	S	*	*				171.7	161.3	124.6	-88.3	-55.4	0	0	0	110.1
701	P	35.3	Very low	34.1	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	79%	0.785	S	S	*	*			trans	-125.3	163.4	-130.6	40.1	-25.7	0	0	0	116.7
702	T	36.3	Very low	34.4	Very low	140 Å²	140	135.2 Å²	135.2	86%	0.859	77%	0.771	S	S	*	*			trans	-132.4	134.4	169.3	49.2	0	0	0	0	111.9
703	P	34.9	Very low	34.7	Very low	132 Å²	132	138.2 Å²	138.2	86%	0.857	77%	0.771	S	S	*	*			trans	-116.2	127.4	169.1	35.3	-24.7	0	0	0	112.3
704	G	33.1	Very low	35	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	77%	0.767	S	S	*	*			trans	176.7	113.6	171.9	0	0	0	0	0	118.9
705	I	32.4	Very low	35.4	Very low	171 Å²	171	132.7 Å²	132.7	88%	0.877	76%	0.755	S	S	*	*			trans	55.5	71.8	139.5	-37.6	175.9	0	0	0	118.6
706	T	33.1	Very low	35.7	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	75%	0.751	S	S	*	*			trans	-136.2	8.1	159.4	49.1	0	0	0	0	115.4
707	R	33.8	Very low	36	Very low	248 Å²	248	131.3 Å²	131.3	94%	0.936	75%	0.746	S	S	*	*	S	Bend	trans	-110.3	19.7	-177.1	-79.3	-170	174.7	129.4	0.9	116.2
708	N	36.3	Very low	36.5	Very low	106 Å²	106	129.5 Å²	129.5	57%	0.567	74%	0.744	S	S	*	*	S	Bend	trans	-136.1	27.1	-172.4	-141.7	-43.9	0	0	0	114.9
709	L	39.7	Very low	36.6	Very low	127 Å²	127	128.7 Å²	128.7	67%	0.665	74%	0.744	S	S	*	*	S	Bend	trans	-114.1	-40.9	175.6	-72.4	171.3	0	0	0	112.9	A711 K712	L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 3.43Å; L709-K712 PolarHBondContact O-N 2.9Å
710	V	40.1	Very low	37	Very low	128 Å²	128	128.6 Å²	128.6	78%	0.776	76%	0.762	S	S	*	*	H	α-helix	trans	-61.2	-40.1	178.4	-176.7	0	0	0	0	111.9	K712	V710-K712 PolarHBondContact O-N 3.22Å
711	A	39.5	Very low	37.1	Very low	79 Å²	79	125.2 Å²	125.2	65%	0.653	76%	0.757	S	S	*	*	H	α-helix	trans	-74.2	-1.7	-179.6	0	0	0	0	0	115.2	L709	L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 3.43Å
712	K	39.5	Very low	37.2	Very low	131 Å²	131	125.9 Å²	125.9	57%	0.57	76%	0.759	S	S	*	*	H	α-helix	trans	-101.1	-19.5	179.2	-78.6	-172.6	174.5	-177.7	0	114.5	L709 V710	L709-K712 PolarHBondContact O-N 2.9Å; V710-K712 PolarHBondContact O-N 3.22Å
713	F	37.7	Very low	37.3	Very low	168 Å²	168	125.2 Å²	125.2	74%	0.737	75%	0.754	S	S	*	*	H	α-helix	trans	-82	-24.6	178.5	-84.3	-89.6	0	0	0	113.1	A715	F713-A715 PolarHBondContact O-N 3.28Å
714	S	40	Very low	37.4	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	8	177.9	-46.4	0	0	0	0	115.2
715	A	38.6	Very low	37.7	Very low	72 Å²	72	128.5 Å²	128.5	60%	0.595	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	9.9	-175	0	0	0	0	0	113.8	F713	F713-A715 PolarHBondContact O-N 3.28Å
716	L	36.6	Very low	38	Very low	132 Å²	132	125.7 Å²	125.7	69%	0.691	74%	0.744	S	S	*	*	S	Bend	trans	-115.6	-6.2	-174.4	-91.8	145.7	0	0	0	114.3
717	S	38.9	Very low	38.4	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	74%	0.739	S	S	*	*	S	Bend	trans	-100.1	30.1	176.8	67.2	0	0	0	0	113.2
718	A	39.8	Very low	38.8	Very low	92 Å²	92	115.6 Å²	115.6	76%	0.76	72%	0.723	S	S	*	*	S	Bend	trans	-147.9	22.2	-174.9	0	0	0	0	0	112.7
719	A	36.4	Very low	39	Very low	93 Å²	93	116.4 Å²	116.4	77%	0.769	74%	0.736	S	S	*	*			trans	-147.3	21.4	-173.9	0	0	0	0	0	113.1
720	S	40.7	Very low	38.9	Very low	165 Å²	165	115.5 Å²	115.5	100%	1.154	74%	0.743	S	S	*	*			trans	-143.8	0	175.2	58.9	0	0	0	0	107.7

Retrieved 720 of 720 residues in 461.9 ms (Link to these results)

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