A0A5K4FD54_SCHMA Loading...

FAM194 C-terminal domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FD54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	42.6	Very low	170 Å²	170	114.6 Å²	114.6	84%	0.837	55%	0.545	S	S	*	.				0	119.6	0	-63.1	176	-176.7	0	0	108.1	Q24	M1-Q24 HydrophobicContact CE-CB 4.31Å
2	E	35.1	Very low	43.9	Very low	175 Å²	175	112.3 Å²	112.3	82%	0.818	54%	0.538	S	S	*	.			trans	-77.3	122.1	172.5	-63.7	-176.2	127.7	0	0	108.8	E4	E2-E4 PolarHBondContact O-N 3.16Å
3	T	41.6	Very low	43.2	Very low	72 Å²	72	105.3 Å²	105.3	44%	0.442	51%	0.514	S	S	.	.			trans	-89.2	88	179.3	44.3	0	0	0	0	109.6	H5	T3-H5 PolarHBondContact O-CE1 3.17Å; T3-H5 PolarHBondContact O-N 3.4Å; T3-H5 PolarHBondContact O-ND1 3.06Å
4	E	39.1	Very low	43.5	Very low	91 Å²	91	102.9 Å²	102.9	43%	0.425	51%	0.508	S	S	.	.			trans	-58.5	134.1	169.9	-61.2	-169.6	138.5	0	0	110.4	E2 Y6 C20	E2-E4 PolarHBondContact O-N 3.16Å; E4-Y6 HydrophobicContact CB-CD2 4.22Å; E4-Y6 HydrophobicContact CB-CE2 3.55Å; E4-Y6 HydrophobicContact CG-CE2 4.46Å; E4-Y6 VanDerWaalsContact OE2-CE2 3.28Å; E4-Y6 WeakPolarHBondContact OE2-CE2 3.43Å; E4-Y6 PolarHBondContact OE2-OH 2.99Å; E4-C20 HydrophobicContact CB-CB 4.16Å; E4-C20 VanDerWaalsContact O-CB 3.22Å; E4-C20 WeakPolarHBondContact O-CB 3.49Å; E4-C20 PolarHBondContact O-N 3.43Å
5	H	47.2	Very low	43.7	Very low	108 Å²	108	101 Å²	101	50%	0.5	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.9	177.2	-74.2	76.2	0	0	0	109.6	T3 T17 F18	T3-H5 PolarHBondContact O-CE1 3.17Å; T3-H5 PolarHBondContact O-N 3.4Å; T3-H5 PolarHBondContact O-ND1 3.06Å; H5-T17 HydrophobicContact CB-CG2 4.05Å; H5-F18 WeakPolarHBondContact CA-O 3.36Å
6	Y	42.3	Very low	44.5	Very low	111 Å²	111	100.9 Å²	100.9	44%	0.435	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.7	-175.6	-71.7	-90.5	0	0	0	110.5	E4 F18 C20	E4-Y6 HydrophobicContact CB-CD2 4.22Å; E4-Y6 HydrophobicContact CB-CE2 3.55Å; E4-Y6 HydrophobicContact CG-CE2 4.46Å; E4-Y6 VanDerWaalsContact OE2-CE2 3.28Å; E4-Y6 WeakPolarHBondContact OE2-CE2 3.43Å; E4-Y6 PolarHBondContact OE2-OH 2.99Å; Y6-F18 PolarHBondContact N-O 2.73Å; Y6-F18 PolarHBondContact O-N 2.94Å; Y6-C20 HydrophobicContact CD2-CB 4.43Å; Y6-C20 HydrophobicContact CE2-CB 4.37Å
7	S	46.6	Very low	44.7	Very low	69 Å²	69	100.1 Å²	100.1	48%	0.483	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.1	175.1	-61.3	0	0	0	0	111.1	R16 T17	S7-R16 WeakPolarHBondContact CA-O 3.41Å; S7-T17 PolarHBondContact OG-OG1 2.67Å
8	F	41.3	Very low	45	Very low	119 Å²	119	100.4 Å²	100.4	52%	0.522	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.6	173.8	-65	-88.9	0	0	0	110.2	E15 R16 F18	F8-E15 WeakPolarHBondContact O-CA 3.38Å; F8-R16 PolarHBondContact N-O 3.08Å; F8-R16 PolarHBondContact O-N 3.17Å; F8-F18 HydrophobicContact CB-CE2 4.33Å; F8-F18 AromaticContact CD2-CD2 3.69Å; F8-F18 HydrophobicContact CD2-CD2 3.69Å; F8-F18 AromaticContact CD2-CE2 3.98Å; F8-F18 HydrophobicContact CD2-CE2 3.98Å; F8-F18 HydrophobicContact CE2-CD2 4.38Å
9	L	44.1	Very low	45.1	Very low	62 Å²	62	101.3 Å²	101.3	33%	0.325	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.9	163.7	-170	83.1	0	0	0	108.9	E15 P564 Y578	L9-E15 HydrophobicContact CD1-CB 4.31Å; L9-P564 HydrophobicContact CD2-CB 3.72Å; L9-P564 HydrophobicContact CD2-CG 3.66Å; L9-Y578 HydrophobicContact CD1-CD1 3.95Å; L9-Y578 HydrophobicContact CD1-CE1 3.43Å; L9-Y578 VanDerWaalsContact CD1-CE1 3.43Å; L9-Y578 HydrophobicContact CD2-CD1 3.61Å; L9-Y578 HydrophobicContact CD2-CE1 3.55Å; L9-Y578 HydrophobicContact CG-CD1 4.4Å; L9-Y578 HydrophobicContact CG-CE1 3.99Å
10	C	60.1	Low	45	Very low	35 Å²	35	98.2 Å²	98.2	24%	0.236	48%	0.481	C	S	.	.			trans	-87.5	165.6	175	-61.4	0	0	0	0	111.7	D12 G13 V14 R16	C10-D12 WeakPolarHBondContact CB-OD1 3.2Å; C10-D12 PolarHBondContact O-N 2.73Å; C10-D12 VanDerWaalsContact O-N 3.13Å; C10-G13 PolarHBondContact O-N 3.34Å; C10-V14 PolarHBondContact N-O 3.43Å; C10-R16 PolarHBondContact SG-NH1 3.39Å
11	Y	35.4	Very low	44.7	Very low	249 Å²	249	100.3 Å²	100.3	98%	0.976	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.6	-178.5	-73.7	-79.5	0	0	0	114.5	G13	Y11-G13 VanDerWaalsContact C-N 3.25Å; Y11-G13 PolarHBondContact O-N 3.36Å
12	D	57.4	Low	44.8	Very low	86 Å²	86	97.7 Å²	97.7	46%	0.46	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.9	172.2	58.8	5.7	0	0	0	113.7	C10 V14 R16	C10-D12 WeakPolarHBondContact CB-OD1 3.2Å; C10-D12 PolarHBondContact O-N 2.73Å; C10-D12 VanDerWaalsContact O-N 3.13Å; D12-V14 VanDerWaalsContact C-N 3.32Å; D12-V14 HydrophobicContact CB-CG2 4.47Å; D12-V14 WeakPolarHBondContact OD1-CB 3.36Å; D12-V14 PolarHBondContact OD1-N 3.15Å; D12-R16 VanDerWaalsContact CG-NH1 3.33Å; D12-R16 IonicContact OD1-NH1 2.73Å; D12-R16 PolarHBondContact OD1-NH1 2.66Å; D12-R16 IonicContact OD2-CZ 2.74Å; D12-R16 VanDerWaalsContact OD2-CZ 3.23Å; D12-R16 IonicContact OD2-NH1 3.15Å; D12-R16 PolarHBondContact OD2-NH1 2.67Å; D12-R16 IonicContact OD2-NH2 2.69Å; D12-R16 PolarHBondContact OD2-NH2 2.83Å
13	G	35.9	Very low	44.9	Very low	22 Å²	22	95 Å²	95	23%	0.227	47%	0.469	C	S	.	.	S	Bend	trans	79.8	11	-177.6	0	0	0	0	0	114.4	C10 Y11 K582	C10-G13 PolarHBondContact O-N 3.34Å; Y11-G13 VanDerWaalsContact C-N 3.25Å; Y11-G13 PolarHBondContact O-N 3.36Å; G13-K582 PolarHBondContact O-NZ 2.8Å
14	V	47.2	Very low	44.6	Very low	71 Å²	71	99.2 Å²	99.2	43%	0.43	48%	0.484	S	S	.	.			trans	-88.4	131	171.6	-176.9	0	0	0	0	109.2	C10 D12 R16	C10-V14 PolarHBondContact N-O 3.43Å; D12-V14 VanDerWaalsContact C-N 3.32Å; D12-V14 HydrophobicContact CB-CG2 4.47Å; D12-V14 WeakPolarHBondContact OD1-CB 3.36Å; D12-V14 PolarHBondContact OD1-N 3.15Å; V14-R16 HydrophobicContact CG1-CG 4.14Å
15	E	45.6	Very low	44.3	Very low	75 Å²	75	100.6 Å²	100.6	35%	0.35	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.4	172.5	-167	159.6	-139.4	0	0	107.3	F8 L9 K576	F8-E15 WeakPolarHBondContact O-CA 3.38Å; L9-E15 HydrophobicContact CD1-CB 4.31Å; E15-K576 IonicContact OE1-NZ 3.69Å; E15-K576 PolarHBondContact OE1-NZ 2.91Å
16	R	57.1	Low	43.7	Very low	99 Å²	99	102 Å²	102	37%	0.374	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.8	-179.5	-70.2	-173.9	177.3	75.1	-1.2	109.3	S7 F8 C10 D12 V14 F18	S7-R16 WeakPolarHBondContact CA-O 3.41Å; F8-R16 PolarHBondContact N-O 3.08Å; F8-R16 PolarHBondContact O-N 3.17Å; C10-R16 PolarHBondContact SG-NH1 3.39Å; D12-R16 VanDerWaalsContact CG-NH1 3.33Å; D12-R16 IonicContact OD1-NH1 2.73Å; D12-R16 PolarHBondContact OD1-NH1 2.66Å; D12-R16 IonicContact OD2-CZ 2.74Å; D12-R16 VanDerWaalsContact OD2-CZ 3.23Å; D12-R16 IonicContact OD2-NH1 3.15Å; D12-R16 PolarHBondContact OD2-NH1 2.67Å; D12-R16 IonicContact OD2-NH2 2.69Å; D12-R16 PolarHBondContact OD2-NH2 2.83Å; V14-R16 HydrophobicContact CG1-CG 4.14Å; R16-F18 HydrophobicContact CB-CD2 4.37Å; R16-F18 HydrophobicContact CB-CE2 3.56Å; R16-F18 HydrophobicContact CB-CZ 4Å; R16-F18 WeakPolarHBondContact O-CD2 3.37Å; R16-F18 WeakPolarHBondContact O-CE2 3.18Å
17	T	48.2	Very low	43.1	Very low	87 Å²	87	105.9 Å²	105.9	53%	0.534	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	178.7	-55	0	0	0	0	109.9	H5 S7	H5-T17 HydrophobicContact CB-CG2 4.05Å; S7-T17 PolarHBondContact OG-OG1 2.67Å
18	F	49.5	Very low	42.4	Very low	106 Å²	106	109.9 Å²	109.9	47%	0.465	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	-178.4	-61.9	-101.9	0	0	0	109.3	H5 Y6 F8 R16	H5-F18 WeakPolarHBondContact CA-O 3.36Å; Y6-F18 PolarHBondContact N-O 2.73Å; Y6-F18 PolarHBondContact O-N 2.94Å; F8-F18 HydrophobicContact CB-CE2 4.33Å; F8-F18 AromaticContact CD2-CD2 3.69Å; F8-F18 HydrophobicContact CD2-CD2 3.69Å; F8-F18 AromaticContact CD2-CE2 3.98Å; F8-F18 HydrophobicContact CD2-CE2 3.98Å; F8-F18 HydrophobicContact CE2-CD2 4.38Å; R16-F18 HydrophobicContact CB-CD2 4.37Å; R16-F18 HydrophobicContact CB-CE2 3.56Å; R16-F18 HydrophobicContact CB-CZ 4Å; R16-F18 WeakPolarHBondContact O-CD2 3.37Å; R16-F18 WeakPolarHBondContact O-CE2 3.18Å
19	K	47.3	Very low	41.9	Very low	117 Å²	117	111.4 Å²	111.4	51%	0.509	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	121.5	172.7	178.8	179.5	-178.5	-177.2	0	108.9	Q21	K19-Q21 HydrophobicContact CD-CG 4.36Å; K19-Q21 HydrophobicContact CG-CG 4.38Å; K19-Q21 PolarHBondContact O-N 2.8Å
20	C	42.7	Very low	41.1	Very low	39 Å²	39	116.9 Å²	116.9	26%	0.264	58%	0.582	S	S	.	*			trans	-72.1	123.6	165.8	-165.4	0	0	0	0	108.8	E4 Y6	E4-C20 HydrophobicContact CB-CB 4.16Å; E4-C20 VanDerWaalsContact O-CB 3.22Å; E4-C20 WeakPolarHBondContact O-CB 3.49Å; E4-C20 PolarHBondContact O-N 3.43Å; Y6-C20 HydrophobicContact CD2-CB 4.43Å; Y6-C20 HydrophobicContact CE2-CB 4.37Å
21	Q	39.2	Very low	39.8	Very low	144 Å²	144	120.6 Å²	120.6	67%	0.673	60%	0.603	S	S	*	*			trans	-108.1	110.2	166.4	-74.9	-174.5	-98.8	0	0	108.5	K19 T23	K19-Q21 HydrophobicContact CD-CG 4.36Å; K19-Q21 HydrophobicContact CG-CG 4.38Å; K19-Q21 PolarHBondContact O-N 2.8Å; Q21-T23 PolarHBondContact O-N 3.11Å
22	F	38.3	Very low	39.4	Very low	114 Å²	114	115 Å²	115	50%	0.5	59%	0.588	S	S	.	*			trans	-72.1	94.1	166.7	-68.6	-82	0	0	0	109	Q24	F22-Q24 PolarHBondContact O-N 3.26Å; F22-Q24 VanDerWaalsContact O-N 3.15Å
23	T	37.2	Very low	38.2	Very low	118 Å²	118	119.6 Å²	119.6	72%	0.724	61%	0.606	S	S	*	*			trans	-76.9	95.3	170.6	47.6	0	0	0	0	109.6	Q21 T25	Q21-T23 PolarHBondContact O-N 3.11Å; T23-T25 PolarHBondContact O-N 3.04Å
24	Q	35.2	Very low	37.9	Very low	162 Å²	162	125.9 Å²	125.9	76%	0.757	63%	0.628	S	S	*	*			trans	-72.8	101.3	165.5	-177.7	173.2	-3.8	0	0	108.4	M1 F22 L26	M1-Q24 HydrophobicContact CE-CB 4.31Å; F22-Q24 PolarHBondContact O-N 3.26Å; F22-Q24 VanDerWaalsContact O-N 3.15Å; Q24-L26 PolarHBondContact O-N 3.45Å
25	T	32.8	Very low	37.1	Very low	119 Å²	119	130.9 Å²	130.9	73%	0.73	65%	0.646	S	S	*	*			trans	-75.1	117.5	174	47.8	0	0	0	0	109.7	T23	T23-T25 PolarHBondContact O-N 3.04Å
26	L	34.1	Very low	36.4	Very low	137 Å²	137	132.8 Å²	132.8	72%	0.717	66%	0.663	S	S	*	*			trans	-70.6	129.8	160.4	-80.4	159.4	0	0	0	108.4	Q24	Q24-L26 PolarHBondContact O-N 3.45Å
27	E	29.9	Very low	35.1	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	68%	0.68	S	S	*	*			trans	-91.2	93.5	167.4	-71.3	179.9	126.5	0	0	107.8
28	E	32.1	Very low	34.3	Very low	153 Å²	153	135.1 Å²	135.1	72%	0.715	69%	0.687	S	S	*	*			trans	-123.2	140	170.5	-67.9	179.7	159.3	0	0	108.7
29	D	30.3	Very low	33.4	Very low	151 Å²	151	137 Å²	137	81%	0.807	70%	0.702	S	S	*	*			trans	56.5	59.1	175.5	-62.1	-14.6	0	0	0	119.5	V31	D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.91Å
30	M	27.3	Very low	32.7	Very low	177 Å²	177	138.6 Å²	138.6	87%	0.872	71%	0.714	S	S	*	*			trans	-81.8	70.9	148.4	-81.8	-158.9	71.1	0	0	111.8
31	V	32.9	Very low	32.2	Very low	113 Å²	113	142.8 Å²	142.8	69%	0.685	74%	0.739	S	S	*	*			trans	-83.9	111.9	163.3	179.7	0	0	0	0	108.6	D29	D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.91Å
32	M	27.4	Very low	31.7	Very low	132 Å²	132	140.2 Å²	140.2	65%	0.65	74%	0.742	S	S	*	*			trans	-77.6	125.2	178	-64.1	-157.5	-49.5	0	0	111.8	F34	M32-F34 HydrophobicContact CE-CE2 4.08Å; M32-F34 HydrophobicContact SD-CE2 4.05Å
33	H	32.7	Very low	31.4	Very low	182 Å²	182	140.5 Å²	140.5	84%	0.843	75%	0.753	S	S	*	*			trans	-126.6	140.4	149.4	-84.5	-79.6	0	0	0	109.9
34	F	29.1	Very low	31.1	Very low	155 Å²	155	141 Å²	141	68%	0.68	76%	0.756	S	S	*	*			trans	-103.8	156.4	-177.2	-94.2	-107.7	0	0	0	110.1	M32	M32-F34 HydrophobicContact CE-CE2 4.08Å; M32-F34 HydrophobicContact SD-CE2 4.05Å
35	E	30.1	Very low	31.1	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	75%	0.749	S	S	*	*			trans	68.4	148.4	157.3	-71.4	167.9	-164.1	0	0	116.5
36	V	30.7	Very low	31.2	Very low	114 Å²	114	141 Å²	141	69%	0.691	76%	0.757	S	S	*	*			cis	-158.2	154.2	-17.3	109.9	0	0	0	0	109.7
37	D	30.3	Very low	31.3	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	76%	0.757	S	S	*	*			trans	46.1	131.3	159.1	-67.4	-2.6	0	0	0	124.6
38	S	30.9	Very low	31.7	Very low	98 Å²	98	134 Å²	134	69%	0.685	75%	0.747	S	S	*	*			trans	77.1	112.1	131	-62.7	0	0	0	0	123
39	D	31.1	Very low	32.2	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	75%	0.749	S	S	*	*				76.4	145.1	123	-80	1.4	0	0	0	124.5
40	I	32.8	Very low	32.7	Very low	149 Å²	149	133 Å²	133	76%	0.764	74%	0.742	S	S	*	*			trans	81.2	88.8	154.3	-65.1	154.5	0	0	0	119.2
41	V	30.9	Very low	33.5	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	74%	0.735	S	S	*	*				51	118	117.4	179.6	0	0	0	0	120.7
42	A	30	Very low	33.8	Very low	90 Å²	90	132 Å²	132	74%	0.744	74%	0.735	S	S	*	*			trans	69.6	155.7	147.3	0	0	0	0	0	119.2
43	V	30.7	Very low	34.4	Very low	119 Å²	119	132.3 Å²	132.3	72%	0.721	74%	0.738	S	S	*	*			cis	-173.1	158.9	-24.3	133.6	0	0	0	0	105.2
44	T	32.5	Very low	34.7	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	73%	0.733	S	S	*	*			trans	62.8	157.4	173	42.8	0	0	0	0	117.9
45	S	34.4	Very low	35.1	Very low	90 Å²	90	126.5 Å²	126.5	63%	0.629	73%	0.732	S	S	*	*			cis	-175.4	153	-37.7	50.7	0	0	0	0	110.6
46	E	35.2	Very low	35.4	Very low	192 Å²	192	124.8 Å²	124.8	90%	0.897	73%	0.728	S	S	*	*			trans	67.7	132.8	156.4	-70	173.8	174	0	0	121.5
47	G	35.3	Very low	35.7	Very low	69 Å²	69	127 Å²	127	71%	0.711	73%	0.731	S	S	*	*			trans	93.3	143.3	145	0	0	0	0	0	119
48	T	39.7	Very low	35.8	Very low	114 Å²	114	129.4 Å²	129.4	70%	0.699	73%	0.731	S	S	*	*			cis	-168.4	163.6	-17.6	-4.4	0	0	0	0	109.6
49	E	41.5	Very low	35.8	Very low	159 Å²	159	131.1 Å²	131.1	74%	0.743	74%	0.738	S	S	*	*			trans	67.2	148.1	151.8	-71.5	144.8	-134.9	0	0	117.9
50	D	42	Very low	35.7	Very low	124 Å²	124	132.5 Å²	132.5	66%	0.663	74%	0.739	S	S	*	*			cis	-160.4	163	1.8	-132.8	-9.6	0	0	0	115.1
51	I	43.4	Very low	35.6	Very low	143 Å²	143	130.8 Å²	130.8	73%	0.733	74%	0.741	S	S	*	*			trans	65	141.9	146.4	-74.9	160	0	0	0	121.7
52	D	38.4	Very low	35.7	Very low	126 Å²	126	133.9 Å²	133.9	67%	0.674	74%	0.738	S	S	*	*			cis	-173.8	170.8	-27.3	-158.7	0.2	0	0	0	110.7
53	I	40.7	Very low	35.9	Very low	139 Å²	139	135.9 Å²	135.9	71%	0.713	73%	0.732	S	S	*	*			trans	66	136.3	157.7	-69	151.7	0	0	0	117.9
54	M	39.5	Very low	36.1	Very low	151 Å²	151	137.6 Å²	137.6	74%	0.744	73%	0.733	S	S	*	*			cis	-165.9	169.3	-15.2	-95.8	-65.5	-82.8	0	0	106
55	G	36.1	Very low	36.1	Very low	63 Å²	63	139.2 Å²	139.2	65%	0.649	74%	0.736	S	S	*	*			cis	168.6	174.3	-1.5	0	0	0	0	0	112.6
56	D	38.2	Very low	36.1	Very low	141 Å²	141	138.1 Å²	138.1	75%	0.754	74%	0.74	S	S	*	*			trans	51.7	95.4	157.2	-54.3	-2.6	0	0	0	124
57	E	35.5	Very low	36	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	73%	0.734	S	S	*	*				62.4	132.4	121	-65.4	-157.4	158.1	0	0	127.1
58	Y	32.6	Very low	36	Very low	188 Å²	188	138.1 Å²	138.1	74%	0.737	74%	0.737	S	S	*	*			trans	29	129.9	151.3	-48	-66.1	0	0	0	122.1
59	T	30.6	Very low	35.8	Very low	134 Å²	134	138.9 Å²	138.9	82%	0.822	74%	0.737	S	S	*	*				-176.2	160.9	80.9	25.6	0	0	0	0	115.6
60	E	30	Very low	35.4	Very low	176 Å²	176	139.1 Å²	139.1	82%	0.822	74%	0.736	S	S	*	*			trans	-5	151	166.9	-66.3	-175.6	119.3	0	0	126
61	S	30	Very low	35	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	74%	0.736	S	S	*	*			trans	75.3	158.4	144.6	81.6	0	0	0	0	118.8
62	R	32.5	Very low	34.5	Very low	192 Å²	192	139.3 Å²	139.3	73%	0.725	74%	0.739	S	S	*	*			cis	-159.1	151.8	-21.2	-127.6	172.5	71.7	148.9	4.7	107.9
63	E	34.5	Very low	34.1	Very low	132 Å²	132	142.1 Å²	142.1	62%	0.617	75%	0.75	S	S	*	*			trans	61.2	168.7	162.9	-74.8	147.2	167	0	0	115.7
64	E	35.8	Very low	33.5	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	76%	0.761	S	S	*	*			cis	-153.5	153.8	8.4	-142.6	157.1	-134	0	0	110.5
65	D	33	Very low	32.9	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	77%	0.767	S	S	*	*			trans	46.6	155	157.5	-67.8	-4.8	0	0	0	124.1
66	G	33.6	Very low	32.5	Very low	68 Å²	68	152.7 Å²	152.7	70%	0.701	78%	0.777	S	S	*	*			trans	-168.1	-42.6	-179.3	0	0	0	0	0	120.6
67	S	32.8	Very low	32	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	78%	0.778	S	S	*	*			trans	70.2	151.6	168.6	84.8	0	0	0	0	122.1
68	L	35.9	Very low	31.6	Very low	150 Å²	150	149.5 Å²	149.5	79%	0.785	78%	0.778	S	S	*	*			trans	75.5	88.9	148.6	-68	165.5	0	0	0	124.3
69	D	35.8	Very low	31.5	Very low	130 Å²	130	150.1 Å²	150.1	70%	0.695	79%	0.785	S	S	*	*				75.2	159.3	106.8	-142.4	0.8	0	0	0	124
70	F	33.4	Very low	31.3	Very low	165 Å²	165	155.1 Å²	155.1	72%	0.724	79%	0.788	S	S	*	*			trans	91.4	112.3	166.3	-68.4	-78.5	0	0	0	123.6
71	D	33.7	Very low	31.4	Very low	125 Å²	125	158.5 Å²	158.5	67%	0.668	79%	0.794	S	S	*	*			trans	72.4	105.1	135.3	-89.3	-38.4	0	0	0	125.3
72	N	32.5	Very low	31.4	Very low	146 Å²	146	159 Å²	159	78%	0.781	79%	0.792	S	S	*	*				32.1	105	120.2	-71.2	-64.6	0	0	0	120.2
73	M	30.2	Very low	31.3	Very low	184 Å²	184	155.5 Å²	155.5	91%	0.906	79%	0.794	S	S	*	*			trans	-138.5	130.4	142.5	-81.2	-150.4	177.4	0	0	113.6
74	R	27.8	Very low	31.3	Very low	254 Å²	254	155.1 Å²	155.1	96%	0.958	80%	0.801	S	S	*	*			trans	-69.1	133.1	167.9	-68.5	172.1	170.7	161.6	-4.2	109.9
75	K	27.5	Very low	30.9	Very low	199 Å²	199	155.8 Å²	155.8	87%	0.865	80%	0.804	S	S	*	*			trans	-120.4	127.1	163.6	-73.8	-173.8	176.5	-179.2	0	110.8
76	S	27.7	Very low	30.7	Very low	122 Å²	122	155.6 Å²	155.6	85%	0.853	80%	0.802	S	S	*	*			trans	-93.4	144.1	174.4	53.1	0	0	0	0	110.9
77	V	27.2	Very low	30.5	Very low	129 Å²	129	159.8 Å²	159.8	78%	0.782	81%	0.806	S	S	*	*			trans	-116.2	131.7	175.4	-178.6	0	0	0	0	110.6
78	S	26.7	Very low	30.4	Very low	105 Å²	105	157.5 Å²	157.5	73%	0.734	79%	0.794	S	S	*	*			trans	-109.7	128.8	177.8	59.3	0	0	0	0	111.2	R80	S78-R80 PolarHBondContact O-N 3.08Å
79	F	29.9	Very low	30.3	Very low	201 Å²	201	156.1 Å²	156.1	88%	0.882	80%	0.795	S	S	*	*			trans	-73.9	115.7	178	-60.9	-79.9	0	0	0	111.9
80	R	27.9	Very low	30.3	Very low	238 Å²	238	154.3 Å²	154.3	90%	0.898	80%	0.797	S	S	*	*			trans	-69.5	134.1	162.9	-75.7	-172.7	175.6	-170.9	1	109.2	S78 T82	S78-R80 PolarHBondContact O-N 3.08Å; R80-T82 PolarHBondContact O-N 2.95Å
81	R	30.7	Very low	30.4	Very low	248 Å²	248	155.3 Å²	155.3	94%	0.936	80%	0.802	S	S	*	*			trans	-77.3	100	166.8	-72.2	179.8	176.5	169.6	-2	109.3
82	T	30.5	Very low	30.5	Very low	123 Å²	123	159.9 Å²	159.9	76%	0.755	81%	0.811	S	S	*	*			trans	-67.7	127.7	151.9	27.2	0	0	0	0	108	R80 V84	R80-T82 PolarHBondContact O-N 2.95Å; T82-V84 PolarHBondContact O-N 3.22Å; T82-V84 VanDerWaalsContact O-N 3.1Å
83	P	30.1	Very low	30.8	Very low	120 Å²	120	157.6 Å²	157.6	78%	0.779	80%	0.802	S	S	*	*			trans	-74.4	103.1	176.5	29.7	-31.9	0	0	0	108.9	E85	P83-E85 PolarHBondContact O-N 3.04Å
84	V	33.6	Very low	31.2	Very low	124 Å²	124	156.6 Å²	156.6	75%	0.752	80%	0.8	S	S	*	*			trans	-66.2	116.3	155.3	177.8	0	0	0	0	105.8	T82 L86	T82-V84 PolarHBondContact O-N 3.22Å; T82-V84 VanDerWaalsContact O-N 3.1Å; V84-L86 PolarHBondContact O-N 3.39Å
85	E	28.5	Very low	31.5	Very low	168 Å²	168	151 Å²	151	79%	0.785	79%	0.789	S	S	*	*			trans	-60	109	173.9	-70.5	-171.8	118.8	0	0	109.1	P83 I87	P83-E85 PolarHBondContact O-N 3.04Å; E85-I87 PolarHBondContact O-N 2.95Å
86	L	29.2	Very low	32.1	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	79%	0.786	S	S	*	*			trans	-66.9	95.1	155.2	-86.7	81.6	0	0	0	106.5	V84 A88	V84-L86 PolarHBondContact O-N 3.39Å; L86-A88 PolarHBondContact O-N 3.46Å
87	I	29	Very low	32.9	Very low	155 Å²	155	154.4 Å²	154.4	80%	0.795	79%	0.787	S	S	*	*			trans	-60.3	85.7	146.3	-56.5	178	0	0	0	105.1	E85	E85-I87 PolarHBondContact O-N 2.95Å
88	A	30.6	Very low	33.3	Very low	62 Å²	62	152.4 Å²	152.4	51%	0.512	79%	0.792	S	S	.	*	P	Polyproline II helix	trans	-56.4	143.4	170.4	0	0	0	0	0	107.5	L86 A90	L86-A88 PolarHBondContact O-N 3.46Å; A88-A90 PolarHBondContact O-N 3.46Å; A88-A90 VanDerWaalsContact O-N 3.13Å
89	P	33.8	Very low	34.1	Very low	122 Å²	122	153.7 Å²	153.7	79%	0.792	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-48.3	128	159.3	-20.8	32.3	0	0	0	107	K91	P89-K91 PolarHBondContact O-N 3.13Å
90	A	35.7	Very low	34.5	Very low	91 Å²	91	153.1 Å²	153.1	75%	0.752	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-50.2	141.4	-175.4	0	0	0	0	0	109.5	A88 Y92	A88-A90 PolarHBondContact O-N 3.46Å; A88-A90 VanDerWaalsContact O-N 3.13Å; A90-Y92 PolarHBondContact O-N 3.42Å
91	K	35.4	Very low	34.7	Very low	187 Å²	187	148 Å²	148	81%	0.813	80%	0.796	S	S	*	*			trans	-43.7	131.7	178.7	-66.4	176.7	178.5	177.9	0	108.7	P89 V93	P89-K91 PolarHBondContact O-N 3.13Å; K91-V93 HydrophobicContact CB-CG2 4.49Å; K91-V93 PolarHBondContact O-N 3.1Å; K91-V93 VanDerWaalsContact O-N 3.08Å
92	Y	36.4	Very low	35.2	Very low	220 Å²	220	140.1 Å²	140.1	86%	0.863	78%	0.784	S	S	*	*			trans	-59.9	117.6	156.1	-82.3	-90.4	0	0	0	105.8	A90	A90-Y92 PolarHBondContact O-N 3.42Å
93	V	37.7	Very low	35.5	Very low	99 Å²	99	140.3 Å²	140.3	60%	0.6	79%	0.787	S	S	*	*			trans	-91.1	104	-177.7	171.2	0	0	0	0	106.5	K91 D95	K91-V93 HydrophobicContact CB-CG2 4.49Å; K91-V93 PolarHBondContact O-N 3.1Å; K91-V93 VanDerWaalsContact O-N 3.08Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 VanDerWaalsContact CG1-CG 3.47Å; V93-D95 VanDerWaalsContact CG1-OD1 3.22Å; V93-D95 WeakPolarHBondContact CG1-OD1 3.16Å; V93-D95 WeakPolarHBondContact CG1-OD2 3.27Å; V93-D95 PolarHBondContact O-N 3Å; V93-D95 VanDerWaalsContact O-N 3.11Å
94	D	38.5	Very low	35.8	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	79%	0.789	S	S	*	*			trans	-80	70.4	179.1	-65.4	-47.5	0	0	0	111
95	D	35.4	Very low	35.8	Very low	136 Å²	136	143 Å²	143	73%	0.727	80%	0.796	S	S	*	*			trans	-145.9	16.7	175.3	63.5	23.7	0	0	0	118.9	V93	V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 VanDerWaalsContact CG1-CG 3.47Å; V93-D95 VanDerWaalsContact CG1-OD1 3.22Å; V93-D95 WeakPolarHBondContact CG1-OD1 3.16Å; V93-D95 WeakPolarHBondContact CG1-OD2 3.27Å; V93-D95 PolarHBondContact O-N 3Å; V93-D95 VanDerWaalsContact O-N 3.11Å
96	E	40.5	Very low	36.3	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	79%	0.788	S	S	*	*	S	Bend	trans	-138.5	83.3	169.8	-158	169.7	-132.1	0	0	114.7
97	Y	44	Very low	36.5	Very low	221 Å²	221	137.2 Å²	137.2	87%	0.867	79%	0.787	S	S	*	*			trans	-177.4	84.9	138.4	-97.9	-62.6	0	0	0	110.1	V99	Y97-V99 PolarHBondContact O-N 3.15Å
98	G	34.3	Very low	36.8	Very low	87 Å²	87	136.8 Å²	136.8	90%	0.897	79%	0.786	S	S	*	*			trans	-78.1	97	175.7	0	0	0	0	0	112.5
99	V	43.8	Very low	37.2	Very low	132 Å²	132	143.4 Å²	143.4	80%	0.8	80%	0.804	S	S	*	*			trans	-129.7	140.4	162.4	-174.7	0	0	0	0	109	Y97	Y97-V99 PolarHBondContact O-N 3.15Å
100	E	38.7	Very low	37.7	Very low	190 Å²	190	144.5 Å²	144.5	89%	0.888	80%	0.798	S	S	*	*			trans	-69.4	152.5	-158.4	-60.8	172.6	141.7	0	0	114.8
101	S	33	Very low	38.1	Very low	130 Å²	130	147.2 Å²	147.2	91%	0.909	80%	0.795	S	S	*	*			trans	-71.1	132	-173.4	-45.4	0	0	0	0	113.7
102	A	40	Very low	38.8	Very low	82 Å²	82	142.8 Å²	142.8	68%	0.678	77%	0.774	S	S	*	*			trans	-128.8	131.8	157.7	0	0	0	0	0	109.4	E104	A102-E104 PolarHBondContact O-N 3.31Å; A102-E104 VanDerWaalsContact O-N 3.15Å
103	P	36.7	Very low	39.6	Very low	127 Å²	127	133.1 Å²	133.1	83%	0.825	74%	0.738	S	S	*	*			trans	-80.9	94.8	178.3	31.5	-32.5	0	0	0	110.2	S105	P103-S105 PolarHBondContact O-N 3.2Å
104	E	37.9	Very low	40.5	Very low	174 Å²	174	131 Å²	131	81%	0.813	73%	0.725	S	S	*	*			trans	-66.1	106.6	174.5	-72.1	-159.8	167.4	0	0	111.4	A102 S106	A102-E104 PolarHBondContact O-N 3.31Å; A102-E104 VanDerWaalsContact O-N 3.15Å; E104-S106 VanDerWaalsContact C-N 3.32Å; E104-S106 PolarHBondContact O-N 2.97Å
105	S	33.6	Very low	41.4	Very low	128 Å²	128	125.7 Å²	125.7	90%	0.895	69%	0.693	S	S	*	*			trans	-85.1	74.6	168.5	40.3	0	0	0	0	109.6	P103	P103-S105 PolarHBondContact O-N 3.2Å
106	S	38.2	Very low	42.6	Very low	90 Å²	90	126.1 Å²	126.1	63%	0.629	69%	0.691	S	S	*	*			trans	-101.7	139.9	172	53.8	0	0	0	0	111.2	E104	E104-S106 VanDerWaalsContact C-N 3.32Å; E104-S106 PolarHBondContact O-N 2.97Å
107	S	33.2	Very low	43.5	Very low	114 Å²	114	122.4 Å²	122.4	80%	0.797	67%	0.673	S	S	*	*			trans	-107.1	44.9	-162.3	59.6	0	0	0	0	113.7
108	D	36.4	Very low	44.1	Very low	146 Å²	146	113.9 Å²	113.9	78%	0.781	64%	0.64	S	S	*	*			trans	-118.3	66.5	-176.4	-70.4	-65.4	0	0	0	112.2
109	K	37.7	Very low	45.1	Very low	202 Å²	202	112 Å²	112	88%	0.878	61%	0.611	S	S	*	*			trans	-82.1	110.8	154.1	-73	-176.8	-179.8	177.2	0	107.1	E111	K109-E111 PolarHBondContact O-N 3.01Å
110	E	44.4	Very low	45.6	Very low	145 Å²	145	111.9 Å²	111.9	68%	0.678	61%	0.606	S	S	*	*			trans	-57.7	100.1	171.2	-70.4	-173.1	131.2	0	0	109.8	Y112	E110-Y112 VanDerWaalsContact C-N 3.34Å; E110-Y112 HydrophobicContact CB-CD2 4.09Å; E110-Y112 HydrophobicContact CB-CE2 3.58Å; E110-Y112 WeakPolarHBondContact O-CD2 3.34Å; E110-Y112 PolarHBondContact O-N 2.91Å; E110-Y112 VanDerWaalsContact O-N 3.09Å; E110-Y112 VanDerWaalsContact OE2-CZ 3.29Å; E110-Y112 PolarHBondContact OE2-OH 3Å
111	E	43.6	Very low	46.1	Very low	148 Å²	148	108.9 Å²	108.9	69%	0.692	59%	0.586	S	S	*	*			trans	-84.2	83.5	174.7	-170.7	145.4	-134.9	0	0	109.2	K109 R544	K109-E111 PolarHBondContact O-N 3.01Å; E111-R544 IonicContact OE1-CZ 2.64Å; E111-R544 IonicContact OE1-NH1 2.62Å; E111-R544 PolarHBondContact OE1-NH1 2.89Å; E111-R544 IonicContact OE1-NH2 3Å
112	Y	50.2	Low	46.6	Very low	94 Å²	94	111.8 Å²	111.8	37%	0.369	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-56.7	144.6	172.9	-65	-96.4	0	0	0	111.3	E110 Y545	E110-Y112 VanDerWaalsContact C-N 3.34Å; E110-Y112 HydrophobicContact CB-CD2 4.09Å; E110-Y112 HydrophobicContact CB-CE2 3.58Å; E110-Y112 WeakPolarHBondContact O-CD2 3.34Å; E110-Y112 PolarHBondContact O-N 2.91Å; E110-Y112 VanDerWaalsContact O-N 3.09Å; E110-Y112 VanDerWaalsContact OE2-CZ 3.29Å; E110-Y112 PolarHBondContact OE2-OH 3Å; Y112-Y545 WeakPolarHBondContact CB-OH 3.3Å; Y112-Y545 WeakPolarHBondContact CD2-OH 3.04Å; Y112-Y545 HydrophobicContact CG-CE1 4.28Å; Y112-Y545 HydrophobicContact CG-CE2 4.27Å; Y112-Y545 AromaticContact CG-CZ 3.81Å
113	P	54	Low	46.6	Very low	16 Å²	16	118.4 Å²	118.4	10%	0.104	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-63.1	152.4	-171.8	25.2	-35.5	0	0	0	114.2	E117 Y118 Y545	P113-E117 VanDerWaalsContact CA-OE2 3.23Å; P113-E117 WeakPolarHBondContact CA-OE2 3.36Å; P113-E117 HydrophobicContact CB-CB 3.61Å; P113-Y118 HydrophobicContact CG-CD2 4.08Å; P113-Y545 WeakPolarHBondContact O-CD1 3.3Å
114	T	56.9	Low	46.7	Very low	54 Å²	54	115.5 Å²	115.5	33%	0.331	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-63.9	167.2	163.5	67.9	0	0	0	0	111.3	E116 E117 Y118	T114-E116 VanDerWaalsContact C-N 3.25Å; T114-E116 PolarHBondContact O-N 2.83Å; T114-E117 WeakPolarHBondContact CB-OE1 3.32Å; T114-E117 WeakPolarHBondContact CG2-OE1 3.46Å; T114-E117 PolarHBondContact N-OE2 3.35Å; T114-E117 PolarHBondContact O-N 2.95Å; T114-E117 WeakPolarHBondContact OG1-CG 3.29Å; T114-E117 PolarHBondContact OG1-N 2.94Å; T114-E117 PolarHBondContact OG1-OE1 3.36Å; T114-Y118 WeakPolarHBondContact O-CB 3.26Å; T114-Y118 PolarHBondContact O-N 3.08Å
115	R	57.8	Low	46.6	Very low	52 Å²	52	114.6 Å²	114.6	20%	0.196	57%	0.571	C	S	.	*	H	α-helix	trans	-60	-36.5	179	-179.6	168.5	167	-94.9	-24.8	112.5	Y118 T119 N525 I526 F538	R115-Y118 PolarHBondContact O-N 3.24Å; R115-T119 PolarHBondContact O-N 3.34Å; R115-T119 VanDerWaalsContact O-N 3.08Å; R115-T119 PolarHBondContact O-OG1 2.62Å; R115-N525 PolarHBondContact NH1-OD1 2.7Å; R115-N525 PolarHBondContact NH2-OD1 2.81Å; R115-I526 PolarHBondContact NE-O 3.02Å; R115-I526 VanDerWaalsContact NE-O 3.11Å; R115-F538 HydrophobicContact CB-CD1 4.17Å; R115-F538 HydrophobicContact CB-CE1 3.79Å; R115-F538 HydrophobicContact CB-CZ 4.44Å; R115-F538 HydrophobicContact CG-CD1 4.08Å; R115-F538 HydrophobicContact CG-CE1 3.76Å; R115-F538 HydrophobicContact CG-CZ 4.01Å
116	E	59.5	Low	46.9	Very low	145 Å²	145	114.7 Å²	114.7	68%	0.678	56%	0.555	S	S	*	*	H	α-helix	trans	-72.8	-43.5	178.3	-66.1	175.6	-171	0	0	111.3	T114 Y118 T119 N120	T114-E116 VanDerWaalsContact C-N 3.25Å; T114-E116 PolarHBondContact O-N 2.83Å; E116-Y118 VanDerWaalsContact C-N 3.29Å; E116-Y118 PolarHBondContact O-N 3.05Å; E116-T119 PolarHBondContact O-N 2.93Å; E116-T119 PolarHBondContact O-OG1 3.24Å; E116-N120 VanDerWaalsContact O-CB 3.22Å; E116-N120 WeakPolarHBondContact O-CB 3.29Å; E116-N120 PolarHBondContact O-N 3.43Å; E116-N120 PolarHBondContact O-ND2 2.82Å; E116-N120 PolarHBondContact O-OD1 3.07Å
117	E	59.3	Low	47.1	Very low	93 Å²	93	111.1 Å²	111.1	44%	0.435	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-37.7	171.4	-72.5	148.9	-128.7	0	0	112.4	P113 T114 N120 R121	P113-E117 VanDerWaalsContact CA-OE2 3.23Å; P113-E117 WeakPolarHBondContact CA-OE2 3.36Å; P113-E117 HydrophobicContact CB-CB 3.61Å; T114-E117 WeakPolarHBondContact CB-OE1 3.32Å; T114-E117 WeakPolarHBondContact CG2-OE1 3.46Å; T114-E117 PolarHBondContact N-OE2 3.35Å; T114-E117 PolarHBondContact O-N 2.95Å; T114-E117 WeakPolarHBondContact OG1-CG 3.29Å; T114-E117 PolarHBondContact OG1-N 2.94Å; T114-E117 PolarHBondContact OG1-OE1 3.36Å; E117-N120 PolarHBondContact O-N 3.16Å; E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.81Å
118	Y	57.5	Low	47.3	Very low	43 Å²	43	106 Å²	106	17%	0.169	49%	0.493	C	S	.	.	H	α-helix	trans	-67.1	-41.6	177.9	-173.1	-87.5	0	0	0	111.7	P113 T114 R115 E116 N120 V536 F538	P113-Y118 HydrophobicContact CG-CD2 4.08Å; T114-Y118 WeakPolarHBondContact O-CB 3.26Å; T114-Y118 PolarHBondContact O-N 3.08Å; R115-Y118 PolarHBondContact O-N 3.24Å; E116-Y118 VanDerWaalsContact C-N 3.29Å; E116-Y118 PolarHBondContact O-N 3.05Å; Y118-N120 VanDerWaalsContact C-N 3.3Å; Y118-N120 PolarHBondContact O-N 2.89Å; Y118-V536 HydrophobicContact CD2-CG2 4.44Å; Y118-V536 HydrophobicContact CE1-CG2 4.29Å; Y118-V536 HydrophobicContact CE2-CG2 3.65Å; Y118-F538 HydrophobicContact CD1-CZ 4.22Å
119	T	54.6	Low	47.4	Very low	47 Å²	47	101 Å²	101	29%	0.288	47%	0.469	S	S	.	.	H	α-helix	trans	-71.4	-23.4	174	50.7	0	0	0	0	113.6	R115 E116 I124 I526	R115-T119 PolarHBondContact O-N 3.34Å; R115-T119 VanDerWaalsContact O-N 3.08Å; R115-T119 PolarHBondContact O-OG1 2.62Å; E116-T119 PolarHBondContact O-N 2.93Å; E116-T119 PolarHBondContact O-OG1 3.24Å; T119-I124 WeakPolarHBondContact O-CD1 3.42Å; T119-I526 HydrophobicContact CG2-CD1 4.3Å
120	N	53.8	Low	47.3	Very low	129 Å²	129	96.1 Å²	96.1	69%	0.69	45%	0.453	S	S	*	.	H	α-helix	trans	-95.6	-4.1	-177.3	-62.9	-7.4	0	0	0	113.7	E116 E117 Y118	E116-N120 VanDerWaalsContact O-CB 3.22Å; E116-N120 WeakPolarHBondContact O-CB 3.29Å; E116-N120 PolarHBondContact O-N 3.43Å; E116-N120 PolarHBondContact O-ND2 2.82Å; E116-N120 PolarHBondContact O-OD1 3.07Å; E117-N120 PolarHBondContact O-N 3.16Å; Y118-N120 VanDerWaalsContact C-N 3.3Å; Y118-N120 PolarHBondContact O-N 2.89Å
121	R	50.8	Low	47.1	Very low	128 Å²	128	92.8 Å²	92.8	48%	0.483	43%	0.434	S	S	.	.	S	Bend	trans	-72	132.3	174	-85.3	167.7	-174.9	-145.6	-0.1	110.4	E117 W123 I124	E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.81Å; R121-W123 PolarHBondContact O-N 3.07Å; R121-I124 WeakPolarHBondContact O-CD1 3.45Å; R121-I124 WeakPolarHBondContact O-CG1 3.5Å
122	E	42.4	Very low	46.8	Very low	190 Å²	190	86.1 Å²	86.1	89%	0.888	40%	0.404	S	S	*	.	S	Bend	trans	-62.9	1	-179.8	-60.6	-176.6	134.5	0	0	115.3	I124	E122-I124 PolarHBondContact O-N 2.85Å
123	W	40	Very low	46.1	Very low	222 Å²	222	85.7 Å²	85.7	84%	0.841	41%	0.408	S	S	*	.			trans	-70.9	18.2	179.3	-75.9	65	0	0	0	113.8	R121 N125	R121-W123 PolarHBondContact O-N 3.07Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 3.01Å
124	I	40.1	Very low	45.1	Very low	66 Å²	66	90.5 Å²	90.5	34%	0.338	43%	0.433	S	S	.	.			trans	-94.9	65.9	-174	-69.9	179.3	0	0	0	108	T119 R121 E122 K126 P127	T119-I124 WeakPolarHBondContact O-CD1 3.42Å; R121-I124 WeakPolarHBondContact O-CD1 3.45Å; R121-I124 WeakPolarHBondContact O-CG1 3.5Å; E122-I124 PolarHBondContact O-N 2.85Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-P127 HydrophobicContact CG2-CB 4.34Å; I124-P127 HydrophobicContact CG2-CG 3.45Å; I124-P127 VanDerWaalsContact CG2-CG 3.45Å
125	N	35.5	Very low	43.8	Very low	154 Å²	154	91.7 Å²	91.7	82%	0.824	44%	0.44	S	S	*	.	S	Bend	trans	-68.4	82.7	174.5	-86.5	-37.5	0	0	0	110.8	W123	W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 3.01Å
126	K	38.5	Very low	42.7	Very low	130 Å²	130	90.9 Å²	90.9	57%	0.565	44%	0.437	S	S	*	.	S	Bend	trans	45.1	71.2	178.4	-62	-150.4	177.1	-150	0	114	I124 D159	I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 3.31Å; K126-D159 IonicContact NZ-OD2 3.46Å; K126-D159 PolarHBondContact NZ-OD2 2.97Å
127	P	42.1	Very low	41.5	Very low	15 Å²	15	85 Å²	85	10%	0.097	41%	0.412	C	S	.	.			trans	-70.5	164.5	177.3	37.2	-42.8	0	0	0	111.2	I124 S129 N130	I124-P127 HydrophobicContact CG2-CB 4.34Å; I124-P127 HydrophobicContact CG2-CG 3.45Å; I124-P127 VanDerWaalsContact CG2-CG 3.45Å; P127-S129 WeakPolarHBondContact CB-OG 3.4Å; P127-S129 WeakPolarHBondContact CG-OG 3.31Å; P127-S129 PolarHBondContact O-N 3.14Å; P127-S129 VanDerWaalsContact O-N 3.16Å; P127-N130 HydrophobicContact CG-CB 4.32Å; P127-N130 WeakPolarHBondContact CG-OD1 3.39Å; P127-N130 WeakPolarHBondContact O-CB 3.38Å; P127-N130 PolarHBondContact O-N 2.97Å
128	I	38.9	Very low	40	Very low	7 Å²	7	85.5 Å²	85.5	4%	0.036	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.8	172.3	-60.5	173.5	0	0	0	112.1	N130 W131 V132 L452 V510 D512 H516	I128-N130 VanDerWaalsContact C-N 3.26Å; I128-N130 PolarHBondContact O-N 3.04Å; I128-W131 HydrophobicContact CB-CE3 4.46Å; I128-W131 HydrophobicContact CG1-CE3 4.17Å; I128-W131 HydrophobicContact CG1-CZ3 4.15Å; I128-W131 HydrophobicContact CG2-CE3 4.25Å; I128-W131 WeakPolarHBondContact O-CA 3.48Å; I128-W131 WeakPolarHBondContact O-CB 3.44Å; I128-W131 PolarHBondContact O-N 3.23Å; I128-V132 PolarHBondContact O-N 2.93Å; I128-L452 HydrophobicContact CG2-CD1 4.5Å; I128-V510 HydrophobicContact CG2-CB 3.64Å; I128-V510 HydrophobicContact CG2-CG1 3.42Å; I128-V510 VanDerWaalsContact CG2-CG1 3.42Å; I128-V510 HydrophobicContact CG2-CG2 4.38Å; I128-D512 HydrophobicContact CD1-CB 4Å; I128-H516 HydrophobicContact CD1-CB 3.76Å; I128-H516 HydrophobicContact CG1-CB 4.24Å
129	S	37.2	Very low	38.7	Very low	40 Å²	40	86.8 Å²	86.8	28%	0.28	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-64.3	-27.1	172	53.3	0	0	0	0	113.2	P127 W131 V132	P127-S129 WeakPolarHBondContact CB-OG 3.4Å; P127-S129 WeakPolarHBondContact CG-OG 3.31Å; P127-S129 PolarHBondContact O-N 3.14Å; P127-S129 VanDerWaalsContact O-N 3.16Å; S129-W131 PolarHBondContact O-N 2.83Å; S129-V132 CarbonylContact O-C 3.55Å; S129-V132 PolarHBondContact O-N 2.85Å
130	N	36.7	Very low	37.4	Very low	101 Å²	101	88.4 Å²	88.4	54%	0.54	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-75.3	-11.3	172.5	-68.8	29.4	0	0	0	112.2	P127 I128	P127-N130 HydrophobicContact CG-CB 4.32Å; P127-N130 WeakPolarHBondContact CG-OD1 3.39Å; P127-N130 WeakPolarHBondContact O-CB 3.38Å; P127-N130 PolarHBondContact O-N 2.97Å; I128-N130 VanDerWaalsContact C-N 3.26Å; I128-N130 PolarHBondContact O-N 3.04Å
131	W	39.8	Very low	36.3	Very low	74 Å²	74	88.3 Å²	88.3	28%	0.28	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-94.1	-11.1	172.3	-53.8	-13.4	0	0	0	112.5	I128 S129 N163 L452	I128-W131 HydrophobicContact CB-CE3 4.46Å; I128-W131 HydrophobicContact CG1-CE3 4.17Å; I128-W131 HydrophobicContact CG1-CZ3 4.15Å; I128-W131 HydrophobicContact CG2-CE3 4.25Å; I128-W131 WeakPolarHBondContact O-CA 3.48Å; I128-W131 WeakPolarHBondContact O-CB 3.44Å; I128-W131 PolarHBondContact O-N 3.23Å; S129-W131 PolarHBondContact O-N 2.83Å; W131-N163 PolarHBondContact O-ND2 2.85Å; W131-L452 HydrophobicContact CE3-CD1 4.39Å; W131-L452 HydrophobicContact CZ3-CD1 4.21Å
132	V	38.5	Very low	35.2	Very low	8 Å²	8	87.3 Å²	87.3	5%	0.048	44%	0.44	C	S	.	.	S	Bend	trans	-120.9	95.9	179	-177.5	0	0	0	0	108.7	I128 S129 D134 Y136 L507 V510	I128-V132 PolarHBondContact O-N 2.93Å; S129-V132 CarbonylContact O-C 3.55Å; S129-V132 PolarHBondContact O-N 2.85Å; V132-D134 PolarHBondContact O-N 3.4Å; V132-Y136 HydrophobicContact CG1-CD1 4.2Å; V132-Y136 HydrophobicContact CG1-CG 4.45Å; V132-L507 HydrophobicContact CG1-CD2 3.83Å; V132-V510 HydrophobicContact CG2-CG2 4.35Å
133	N	35.4	Very low	34.5	Very low	86 Å²	86	81.1 Å²	81.1	46%	0.46	41%	0.413	S	S	.	.			trans	-54.4	136.6	177.1	-174.7	-19.9	0	0	0	110.7	T135 Y136	N133-T135 PolarHBondContact ND2-OG1 3.35Å; N133-T135 PolarHBondContact O-N 3.46Å; N133-T135 WeakPolarHBondContact OD1-CG2 3.5Å; N133-T135 PolarHBondContact OD1-N 2.79Å; N133-T135 PolarHBondContact OD1-OG1 2.85Å; N133-Y136 VanDerWaalsContact O-CB 3.3Å; N133-Y136 WeakPolarHBondContact O-CB 3.39Å; N133-Y136 PolarHBondContact O-N 3.16Å
134	D	31.8	Very low	34.1	Very low	116 Å²	116	78 Å²	78	62%	0.62	41%	0.412	S	S	*	.	H	α-helix	trans	-55.8	-19	176.2	-73	-42.2	0	0	0	113.5	V132 Y136 V137 N138	V132-D134 PolarHBondContact O-N 3.4Å; D134-Y136 PolarHBondContact O-N 2.86Å; D134-V137 CarbonylContact O-C 3.58Å; D134-V137 WeakPolarHBondContact O-CA 3.37Å; D134-V137 WeakPolarHBondContact O-CB 3.43Å; D134-V137 PolarHBondContact O-N 2.75Å; D134-N138 PolarHBondContact O-N 2.96Å
135	T	29.5	Very low	33.6	Very low	80 Å²	80	82 Å²	82	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-63.8	-20.3	169.2	61.4	0	0	0	0	113.9	N133 N138 I139	N133-T135 PolarHBondContact ND2-OG1 3.35Å; N133-T135 PolarHBondContact O-N 3.46Å; N133-T135 WeakPolarHBondContact OD1-CG2 3.5Å; N133-T135 PolarHBondContact OD1-N 2.79Å; N133-T135 PolarHBondContact OD1-OG1 2.85Å; T135-N138 CarbonylContact O-C 3.56Å; T135-I139 WeakPolarHBondContact O-CA 3.36Å; T135-I139 PolarHBondContact O-N 2.82Å
136	Y	36.1	Very low	33.5	Very low	34 Å²	34	78.3 Å²	78.3	13%	0.133	41%	0.413	C	S	.	.	H	α-helix	trans	-81.5	-30.7	171	-165.6	-95.4	0	0	0	111.7	V132 N133 D134 P165 H456 L507	V132-Y136 HydrophobicContact CG1-CD1 4.2Å; V132-Y136 HydrophobicContact CG1-CG 4.45Å; N133-Y136 VanDerWaalsContact O-CB 3.3Å; N133-Y136 WeakPolarHBondContact O-CB 3.39Å; N133-Y136 PolarHBondContact O-N 3.16Å; D134-Y136 PolarHBondContact O-N 2.86Å; Y136-P165 HydrophobicContact CD2-CB 3.62Å; Y136-P165 HydrophobicContact CE2-CB 3.68Å; Y136-P165 HydrophobicContact CG-CB 4.1Å; Y136-H456 AromaticContact CE1-CE1 3.88Å; Y136-H456 AromaticContact CZ-CE1 3.96Å; Y136-H456 PolarHBondContact OH-CE1 2.86Å; Y136-L507 HydrophobicContact CD1-CB 4.45Å; Y136-L507 HydrophobicContact CD1-CD2 4.33Å; Y136-L507 HydrophobicContact CE1-CB 4.23Å
137	V	33.5	Very low	33	Very low	23 Å²	23	79 Å²	79	14%	0.139	42%	0.423	C	S	.	.	H	α-helix	trans	-74.4	-40.7	176.8	179.7	0	0	0	0	110.1	D134 N524	D134-V137 CarbonylContact O-C 3.58Å; D134-V137 WeakPolarHBondContact O-CA 3.37Å; D134-V137 WeakPolarHBondContact O-CB 3.43Å; D134-V137 PolarHBondContact O-N 2.75Å; V137-N524 HydrophobicContact CG1-CB 3.43Å; V137-N524 VanDerWaalsContact CG1-CB 3.43Å; V137-N524 WeakPolarHBondContact CG1-ND2 3.4Å; V137-N524 PolarHBondContact O-ND2 2.74Å
138	N	27.6	Very low	32.2	Very low	102 Å²	102	85.5 Å²	85.5	55%	0.545	46%	0.456	S	S	.	.	S	Bend	trans	-123.8	84.9	175	-59.9	-55.2	0	0	0	110.3	D134 T135 P140 N524	D134-N138 PolarHBondContact O-N 2.96Å; T135-N138 CarbonylContact O-C 3.56Å; N138-P140 WeakPolarHBondContact O-CD 3.46Å; N138-N524 PolarHBondContact OD1-ND2 3.15Å; N138-N524 VanDerWaalsContact OD1-ND2 3.14Å
139	I	30.8	Very low	31.8	Very low	70 Å²	70	92.2 Å²	92.2	36%	0.359	49%	0.486	S	S	.	.			trans	-67.9	114.9	172.3	-58.5	176.4	0	0	0	108.7	T135	T135-I139 WeakPolarHBondContact O-CA 3.36Å; T135-I139 PolarHBondContact O-N 2.82Å
140	P	27	Very low	31.4	Very low	82 Å²	82	98.3 Å²	98.3	53%	0.532	51%	0.51	S	S	.	.			trans	-80.2	144.9	179	-10.6	29.7	0	0	0	110.8	N138 I142	N138-P140 WeakPolarHBondContact O-CD 3.46Å; P140-I142 HydrophobicContact CB-CD1 4.3Å; P140-I142 HydrophobicContact CB-CG1 4.14Å; P140-I142 PolarHBondContact O-N 3.02Å
141	N	29.5	Very low	30.8	Very low	127 Å²	127	100.4 Å²	100.4	68%	0.679	52%	0.521	S	S	*	.	S	Bend	trans	-69.4	21.8	-179.8	-77.1	4.2	0	0	0	115	L143	N141-L143 PolarHBondContact O-N 3.28Å; N141-L143 VanDerWaalsContact O-N 3.15Å
142	I	28.3	Very low	30.3	Very low	106 Å²	106	101.1 Å²	101.1	54%	0.544	53%	0.533	S	S	.	.			trans	-92.2	68.7	-171.3	-47.5	177	0	0	0	110.6	P140 Q145	P140-I142 HydrophobicContact CB-CD1 4.3Å; P140-I142 HydrophobicContact CB-CG1 4.14Å; P140-I142 PolarHBondContact O-N 3.02Å; I142-Q145 HydrophobicContact CG2-CB 4.06Å; I142-Q145 HydrophobicContact CG2-CG 4.33Å
143	L	29	Very low	29.7	Very low	61 Å²	61	109 Å²	109	32%	0.319	57%	0.567	S	S	.	*			trans	-87.2	-13.8	172.8	-88.5	167.3	0	0	0	113.9	N141 R177	N141-L143 PolarHBondContact O-N 3.28Å; N141-L143 VanDerWaalsContact O-N 3.15Å; L143-R177 PolarHBondContact O-NH2 2.83Å
144	D	30.3	Very low	29.3	Very low	155 Å²	155	111.9 Å²	111.9	83%	0.829	58%	0.582	S	S	*	*	S	Bend	trans	-112	21.9	-165	-65.5	-9.8	0	0	0	115
145	Q	30.3	Very low	29.2	Very low	152 Å²	152	114.6 Å²	114.6	71%	0.71	59%	0.591	S	S	*	*	S	Bend	trans	-129.6	1.9	179.6	-68	-168.9	-8.7	0	0	115.6	I142 D147	I142-Q145 HydrophobicContact CG2-CB 4.06Å; I142-Q145 HydrophobicContact CG2-CG 4.33Å; Q145-D147 PolarHBondContact O-N 3Å
146	V	32	Very low	29.1	Very low	75 Å²	75	118.5 Å²	118.5	46%	0.455	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.1	53.4	-171.3	-163.3	0	0	0	0	112.2	F149	V146-F149 HydrophobicContact CG1-CD2 3.76Å; V146-F149 HydrophobicContact CG1-CE2 4.07Å
147	D	28	Very low	28.7	Very low	145 Å²	145	124.6 Å²	124.6	78%	0.775	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-4.1	173	-76	-32.8	0	0	0	113.4	Q145	Q145-D147 PolarHBondContact O-N 3Å
148	N	26.6	Very low	28.8	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	66%	0.662	S	S	*	*			trans	-120.7	32.3	-176.5	-79.6	-40.4	0	0	0	114.1	E150	N148-E150 PolarHBondContact O-N 3.49Å; N148-E150 VanDerWaalsContact O-N 3.16Å
149	F	30.1	Very low	29.2	Very low	149 Å²	149	129 Å²	129	65%	0.654	67%	0.665	S	S	*	*			trans	-86.4	43.5	175.1	-83.8	-94.8	0	0	0	113.5	V146 V152	V146-F149 HydrophobicContact CG1-CD2 3.76Å; V146-F149 HydrophobicContact CG1-CE2 4.07Å; F149-V152 HydrophobicContact CD1-CG2 3.72Å; F149-V152 HydrophobicContact CE1-CG2 3.77Å
150	E	27.9	Very low	29.3	Very low	168 Å²	168	128.3 Å²	128.3	79%	0.785	66%	0.662	S	S	*	*	S	Bend	trans	-86.5	130.2	150.4	-67	-162.5	151.5	0	0	108.1	N148	N148-E150 PolarHBondContact O-N 3.49Å; N148-E150 VanDerWaalsContact O-N 3.16Å
151	N	25.7	Very low	29.8	Very low	145 Å²	145	127.3 Å²	127.3	78%	0.775	65%	0.652	S	S	*	*			trans	77	53	-179.5	-44	-75.6	0	0	0	117.2
152	V	29.1	Very low	30.2	Very low	88 Å²	88	124.5 Å²	124.5	53%	0.533	63%	0.634	S	S	.	*			trans	-103.9	107.9	142.8	179.7	0	0	0	0	108.7	F149	F149-V152 HydrophobicContact CD1-CG2 3.72Å; F149-V152 HydrophobicContact CE1-CG2 3.77Å
153	K	25.4	Very low	31.3	Very low	174 Å²	174	120.8 Å²	120.8	76%	0.757	62%	0.615	S	S	*	*			trans	-102.4	159.5	156.6	-66.7	174.8	-177.8	171.5	0	106.6
154	D	26	Very low	32.1	Very low	147 Å²	147	118.2 Å²	118.2	79%	0.786	60%	0.602	S	S	*	*			trans	70	59.8	172.9	-48.4	-32.4	0	0	0	116.3
155	E	30.4	Very low	32.8	Very low	172 Å²	172	111.2 Å²	111.2	80%	0.804	57%	0.565	S	S	*	*			trans	-110.4	105.5	144.6	-73.5	-170.4	159.6	0	0	109
156	Q	28.3	Very low	33.7	Very low	163 Å²	163	109 Å²	109	76%	0.762	55%	0.55	S	S	*	*			trans	-109.7	151.8	168.3	-64.5	-175.3	5.7	0	0	108.9
157	N	28	Very low	34.6	Very low	162 Å²	162	105.8 Å²	105.8	87%	0.866	53%	0.531	S	S	*	.			trans	67.6	66.3	179.5	-56.6	-21	0	0	0	116.4
158	V	35.2	Very low	35.6	Very low	103 Å²	103	99.4 Å²	99.4	62%	0.624	50%	0.497	S	S	*	.			trans	-117.1	126.3	147.7	-178	0	0	0	0	107.6	N160	V158-N160 PolarHBondContact O-N 2.84Å
159	D	35.3	Very low	36.8	Very low	114 Å²	114	94 Å²	94	61%	0.61	47%	0.467	S	S	*	.			trans	-77.9	69.5	-171.8	-152.2	34	0	0	0	110.8	K126 N161	K126-D159 IonicContact NZ-OD2 3.46Å; K126-D159 PolarHBondContact NZ-OD2 2.97Å; D159-N161 PolarHBondContact O-N 3.38Å; D159-N161 PolarHBondContact O-ND2 2.96Å
160	N	33.1	Very low	37.6	Very low	56 Å²	56	87.2 Å²	87.2	30%	0.299	44%	0.437	S	S	.	.			trans	-60.5	111.5	-165.6	-89.7	-4.1	0	0	0	113.5	V158 I198 A199 D200	V158-N160 PolarHBondContact O-N 2.84Å; N160-I198 PolarHBondContact ND2-O 2.93Å; N160-A199 CarbonylContact C-O 3.51Å; N160-A199 WeakPolarHBondContact CB-O 3.48Å; N160-D200 CarbonylContact O-C 3.59Å; N160-D200 WeakPolarHBondContact O-CA 3.47Å
161	N	37.9	Very low	38.6	Very low	61 Å²	61	79.3 Å²	79.3	33%	0.326	40%	0.4	S	S	.	.			trans	-133.9	114.1	176.7	-86	-67.2	0	0	0	113.7	D159 N163 A199 K206	D159-N161 PolarHBondContact O-N 3.38Å; D159-N161 PolarHBondContact O-ND2 2.96Å; N161-N163 VanDerWaalsContact C-N 3.28Å; N161-N163 PolarHBondContact O-N 2.97Å; N161-A199 CarbonylContact C-O 3.52Å; N161-A199 PolarHBondContact N-O 2.94Å; N161-A199 VanDerWaalsContact N-O 3.16Å; N161-K206 PolarHBondContact OD1-NZ 2.94Å
162	F	37.9	Very low	39.7	Very low	67 Å²	67	73.9 Å²	73.9	29%	0.294	37%	0.37	S	S	.	.			trans	27.5	52	152.4	-150.3	-109.5	0	0	0	117.6	F164 I196 A199 D200 K206 F207 L235	F162-F164 PolarHBondContact O-N 3.46Å; F162-I196 HydrophobicContact CD2-CG2 4.38Å; F162-I196 HydrophobicContact CE2-CG2 4.17Å; F162-A199 PolarHBondContact N-O 2.67Å; F162-D200 VanDerWaalsContact CA-OD1 3.24Å; F162-D200 WeakPolarHBondContact CA-OD1 3.3Å; F162-D200 WeakPolarHBondContact CB-OD1 3.12Å; F162-D200 WeakPolarHBondContact CD2-OD2 3.41Å; F162-D200 PolarHBondContact N-OD1 3.31Å; F162-K206 HydrophobicContact CB-CD 4.09Å; F162-K206 HydrophobicContact CD2-CD 3.91Å; F162-K206 HydrophobicContact CG-CD 4.18Å; F162-F207 HydrophobicContact CE1-CZ 4.39Å; F162-F207 HydrophobicContact CE2-CE2 4.18Å; F162-F207 AromaticContact CZ-CE2 3.64Å; F162-F207 HydrophobicContact CZ-CE2 3.64Å; F162-F207 AromaticContact CZ-CZ 3.74Å; F162-F207 HydrophobicContact CZ-CZ 3.74Å; F162-L235 HydrophobicContact CE1-CD2 3.73Å; F162-L235 HydrophobicContact CE2-CD2 4.43Å; F162-L235 HydrophobicContact CZ-CD2 3.37Å
163	N	50.4	Low	40.8	Very low	28 Å²	28	71.5 Å²	71.5	15%	0.15	35%	0.354	C	S	.	.			trans	-83.9	87.5	-168.6	-154.1	-52.9	0	0	0	110.3	W131 N161 P165 Y166 I167	W131-N163 PolarHBondContact O-ND2 2.85Å; N161-N163 VanDerWaalsContact C-N 3.28Å; N161-N163 PolarHBondContact O-N 2.97Å; N163-P165 VanDerWaalsContact C-N 3.28Å; N163-P165 WeakPolarHBondContact OD1-CB 3.45Å; N163-P165 VanDerWaalsContact OD1-CD 3.25Å; N163-P165 WeakPolarHBondContact OD1-CD 3.25Å; N163-Y166 WeakPolarHBondContact O-CA 3.31Å; N163-Y166 VanDerWaalsContact O-CB 3.28Å; N163-Y166 WeakPolarHBondContact O-CB 3.37Å; N163-Y166 PolarHBondContact O-N 2.98Å; N163-Y166 PolarHBondContact OD1-N 2.92Å; N163-Y166 VanDerWaalsContact OD1-N 3.12Å; N163-I167 PolarHBondContact O-N 3.16Å
164	F	47.2	Very low	41.8	Very low	7 Å²	7	65 Å²	65	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-54.3	-39.6	173.9	-174.2	-98.4	0	0	0	112.4	F162 Y166 I167 L168 L235 L238 A239 L435 L437	F162-F164 PolarHBondContact O-N 3.46Å; F164-Y166 VanDerWaalsContact C-N 3.3Å; F164-Y166 PolarHBondContact O-N 3.18Å; F164-I167 HydrophobicContact CD2-CD1 4.24Å; F164-I167 WeakPolarHBondContact O-CA 3.49Å; F164-I167 WeakPolarHBondContact O-CB 3.36Å; F164-I167 PolarHBondContact O-N 2.9Å; F164-L168 HydrophobicContact CD1-CD1 3.91Å; F164-L168 HydrophobicContact CD1-CD2 4.34Å; F164-L168 HydrophobicContact CD1-CG 3.89Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 3.67Å; F164-L168 HydrophobicContact CE1-CG 3.69Å; F164-L168 HydrophobicContact CZ-CD2 3.8Å; F164-L168 HydrophobicContact CZ-CG 4.27Å; F164-L168 WeakPolarHBondContact O-CG 2.92Å; F164-L168 PolarHBondContact O-N 2.97Å; F164-L235 HydrophobicContact CD2-CD1 3.77Å; F164-L235 HydrophobicContact CD2-CD2 4.3Å; F164-L235 HydrophobicContact CD2-CG 4.21Å; F164-L235 HydrophobicContact CE2-CD1 3.6Å; F164-L235 HydrophobicContact CE2-CG 4.14Å; F164-L238 HydrophobicContact CE2-CD2 4.28Å; F164-L238 HydrophobicContact CZ-CD2 4.03Å; F164-L238 HydrophobicContact CZ-CG 4.44Å; F164-A239 HydrophobicContact CE2-CB 4.1Å; F164-L435 HydrophobicContact CD1-CD2 3.67Å; F164-L435 HydrophobicContact CE1-CD1 4.05Å; F164-L435 HydrophobicContact CE1-CD2 3.54Å; F164-L435 HydrophobicContact CE1-CG 4.45Å; F164-L437 HydrophobicContact CB-CD1 4.15Å; F164-L437 HydrophobicContact CD1-CD1 3.81Å; F164-L437 HydrophobicContact CD2-CD1 4.38Å; F164-L437 HydrophobicContact CE1-CD1 4.25Å; F164-L437 HydrophobicContact CG-CD1 3.87Å
165	P	44.8	Very low	42.8	Very low	9 Å²	9	59.3 Å²	59.3	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-36.2	167.8	-26.5	33.5	0	0	0	115.1	Y136 N163 L168 Q169 I454	Y136-P165 HydrophobicContact CD2-CB 3.62Å; Y136-P165 HydrophobicContact CE2-CB 3.68Å; Y136-P165 HydrophobicContact CG-CB 4.1Å; N163-P165 VanDerWaalsContact C-N 3.28Å; N163-P165 WeakPolarHBondContact OD1-CB 3.45Å; N163-P165 VanDerWaalsContact OD1-CD 3.25Å; N163-P165 WeakPolarHBondContact OD1-CD 3.25Å; P165-L168 PolarHBondContact O-N 3.41Å; P165-Q169 WeakPolarHBondContact O-CB 3.26Å; P165-Q169 PolarHBondContact O-N 3.43Å; P165-I454 HydrophobicContact CG-CD1 4.12Å
166	Y	48.6	Very low	43.5	Very low	104 Å²	104	53.1 Å²	53.1	41%	0.408	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-40.8	170.8	177.9	-99.5	0	0	0	112.1	N163 F164 L168 Q169 V170 R195	N163-Y166 WeakPolarHBondContact O-CA 3.31Å; N163-Y166 VanDerWaalsContact O-CB 3.28Å; N163-Y166 WeakPolarHBondContact O-CB 3.37Å; N163-Y166 PolarHBondContact O-N 2.98Å; N163-Y166 PolarHBondContact OD1-N 2.92Å; N163-Y166 VanDerWaalsContact OD1-N 3.12Å; F164-Y166 VanDerWaalsContact C-N 3.3Å; F164-Y166 PolarHBondContact O-N 3.18Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; Y166-L168 PolarHBondContact O-N 3.11Å; Y166-Q169 PolarHBondContact O-N 2.87Å; Y166-V170 HydrophobicContact CD1-CG2 4.14Å; Y166-V170 HydrophobicContact CD2-CG2 4.28Å; Y166-V170 HydrophobicContact CE1-CG2 3.76Å; Y166-V170 HydrophobicContact CE2-CG2 3.92Å; Y166-V170 HydrophobicContact CG-CG2 4.38Å; Y166-V170 WeakPolarHBondContact O-CB 3.14Å; Y166-V170 VanDerWaalsContact O-CG2 3.27Å; Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 2.75Å; Y166-R195 HydrophobicContact CE1-CB 4.44Å
167	I	50.3	Low	44.4	Very low	9 Å²	9	51.4 Å²	51.4	5%	0.046	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-51.4	172.6	-57	173.5	0	0	0	109.1	N163 F164 Q169 V170 V171 Y192 I196 A239	N163-I167 PolarHBondContact O-N 3.16Å; F164-I167 HydrophobicContact CD2-CD1 4.24Å; F164-I167 WeakPolarHBondContact O-CA 3.49Å; F164-I167 WeakPolarHBondContact O-CB 3.36Å; F164-I167 PolarHBondContact O-N 2.9Å; I167-Q169 PolarHBondContact O-N 2.92Å; I167-V170 PolarHBondContact O-N 2.87Å; I167-V171 HydrophobicContact CG2-CG2 4.29Å; I167-V171 WeakPolarHBondContact O-CG2 3.26Å; I167-V171 PolarHBondContact O-N 3.49Å; I167-Y192 HydrophobicContact CG2-CD1 3.98Å; I167-Y192 HydrophobicContact CG2-CE1 3.96Å; I167-I196 HydrophobicContact CD1-CD1 3.65Å; I167-I196 HydrophobicContact CD1-CG1 4.06Å; I167-I196 HydrophobicContact CG1-CD1 4.21Å; I167-I196 HydrophobicContact CG1-CG1 4.29Å; I167-A239 HydrophobicContact CG2-CB 3.69Å
168	L	49.8	Very low	45	Very low	10 Å²	10	47.4 Å²	47.4	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-47.7	179	-66.9	-173.5	0	0	0	113	F164 P165 Y166 V171 K172 Y242	F164-L168 HydrophobicContact CD1-CD1 3.91Å; F164-L168 HydrophobicContact CD1-CD2 4.34Å; F164-L168 HydrophobicContact CD1-CG 3.89Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 3.67Å; F164-L168 HydrophobicContact CE1-CG 3.69Å; F164-L168 HydrophobicContact CZ-CD2 3.8Å; F164-L168 HydrophobicContact CZ-CG 4.27Å; F164-L168 WeakPolarHBondContact O-CG 2.92Å; F164-L168 PolarHBondContact O-N 2.97Å; P165-L168 PolarHBondContact O-N 3.41Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; Y166-L168 PolarHBondContact O-N 3.11Å; L168-V171 PolarHBondContact O-N 3.01Å; L168-K172 WeakPolarHBondContact O-CB 3.36Å; L168-K172 PolarHBondContact O-N 3.43Å; L168-Y242 HydrophobicContact CD1-CD1 4.39Å; L168-Y242 HydrophobicContact CD1-CE1 3.72Å; L168-Y242 HydrophobicContact CD2-CD1 3.38Å; L168-Y242 HydrophobicContact CD2-CE1 3.58Å; L168-Y242 HydrophobicContact CD2-CG 4.26Å; L168-Y242 HydrophobicContact CG-CD1 4.46Å; L168-Y242 HydrophobicContact CG-CE1 4.21Å
169	Q	50.6	Low	45.3	Very low	39 Å²	39	45.6 Å²	45.6	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-40.7	178.6	176.4	52.6	38.1	0	0	111.3	P165 Y166 I167 V171 K172 D173	P165-Q169 WeakPolarHBondContact O-CB 3.26Å; P165-Q169 PolarHBondContact O-N 3.43Å; Y166-Q169 PolarHBondContact O-N 2.87Å; I167-Q169 PolarHBondContact O-N 2.92Å; Q169-V171 PolarHBondContact O-N 2.85Å; Q169-K172 WeakPolarHBondContact O-CB 3.35Å; Q169-K172 PolarHBondContact O-N 2.94Å; Q169-D173 PolarHBondContact NE2-OD1 3.31Å; Q169-D173 PolarHBondContact NE2-OD2 3.39Å; Q169-D173 VanDerWaalsContact O-CG 3.23Å; Q169-D173 PolarHBondContact O-N 3.44Å
170	V	47.5	Very low	45.5	Very low	6 Å²	6	45.5 Å²	45.5	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-39.7	174.5	171.8	0	0	0	0	112	Y166 I167 D173 I174 Y192 R195	Y166-V170 HydrophobicContact CD1-CG2 4.14Å; Y166-V170 HydrophobicContact CD2-CG2 4.28Å; Y166-V170 HydrophobicContact CE1-CG2 3.76Å; Y166-V170 HydrophobicContact CE2-CG2 3.92Å; Y166-V170 HydrophobicContact CG-CG2 4.38Å; Y166-V170 WeakPolarHBondContact O-CB 3.14Å; Y166-V170 VanDerWaalsContact O-CG2 3.27Å; Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 2.75Å; I167-V170 PolarHBondContact O-N 2.87Å; V170-D173 PolarHBondContact O-N 3.4Å; V170-I174 HydrophobicContact CG1-CD1 3.87Å; V170-I174 WeakPolarHBondContact O-CG1 3.32Å; V170-I174 PolarHBondContact O-N 3.33Å; V170-Y192 HydrophobicContact CB-CE1 4.04Å; V170-Y192 HydrophobicContact CG1-CE1 3.59Å; V170-R195 VanDerWaalsContact CG1-NH1 3.35Å
171	V	49.1	Very low	45.7	Very low	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-39.4	176.8	-141.1	0	0	0	0	111.9	I167 L168 Q169 D173 I174 C175 Y192 S243	I167-V171 HydrophobicContact CG2-CG2 4.29Å; I167-V171 WeakPolarHBondContact O-CG2 3.26Å; I167-V171 PolarHBondContact O-N 3.49Å; L168-V171 PolarHBondContact O-N 3.01Å; Q169-V171 PolarHBondContact O-N 2.85Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 2.95Å; V171-I174 PolarHBondContact O-N 2.88Å; V171-C175 WeakPolarHBondContact O-CB 3.3Å; V171-C175 PolarHBondContact O-N 2.77Å; V171-C175 PolarHBondContact O-SG 2.76Å; V171-C175 VanDerWaalsContact O-SG 3.33Å; V171-Y192 WeakPolarHBondContact CA-OH 3.32Å; V171-Y192 VanDerWaalsContact CB-OH 3.32Å; V171-Y192 WeakPolarHBondContact CB-OH 3.32Å; V171-Y192 HydrophobicContact CG1-CE2 4.48Å; V171-Y192 VanDerWaalsContact CG1-OH 3.3Å; V171-Y192 WeakPolarHBondContact CG1-OH 3.09Å; V171-Y192 HydrophobicContact CG2-CE1 4.24Å; V171-Y192 WeakPolarHBondContact CG2-OH 3.3Å; V171-Y192 PolarHBondContact N-OH 2.92Å; V171-Y192 VanDerWaalsContact N-OH 3.17Å; V171-S243 WeakPolarHBondContact CG1-OG 3.3Å
172	K	49	Very low	45.8	Very low	32 Å²	32	58 Å²	58	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-53.8	-50.2	171.4	170.5	-173.6	152.2	-149.7	0	110.5	L168 Q169 I174 C175 C176	L168-K172 WeakPolarHBondContact O-CB 3.36Å; L168-K172 PolarHBondContact O-N 3.43Å; Q169-K172 WeakPolarHBondContact O-CB 3.35Å; Q169-K172 PolarHBondContact O-N 2.94Å; K172-I174 PolarHBondContact O-N 3.41Å; K172-C175 PolarHBondContact O-N 3.33Å; K172-C176 VanDerWaalsContact O-CB 3.26Å; K172-C176 WeakPolarHBondContact O-CB 3.24Å; K172-C176 PolarHBondContact O-N 3.3Å; K172-C176 PolarHBondContact O-SG 3.06Å
173	D	51.6	Low	46.2	Very low	38 Å²	38	59.1 Å²	59.1	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-39.5	-178.4	-66.2	-25.8	0	0	0	112.7	Q169 V170 V171 R177	Q169-D173 PolarHBondContact NE2-OD1 3.31Å; Q169-D173 PolarHBondContact NE2-OD2 3.39Å; Q169-D173 VanDerWaalsContact O-CG 3.23Å; Q169-D173 PolarHBondContact O-N 3.44Å; V170-D173 PolarHBondContact O-N 3.4Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 2.95Å; D173-R177 WeakPolarHBondContact O-CB 3.13Å; D173-R177 VanDerWaalsContact O-CG 3.25Å; D173-R177 WeakPolarHBondContact O-CG 3.47Å; D173-R177 PolarHBondContact O-N 3.14Å
174	I	47.4	Very low	46.2	Very low	38 Å²	38	65.1 Å²	65.1	20%	0.195	31%	0.309	C	S	.	.	H	α-helix	trans	-69.7	-44.7	177.2	-65.1	168.3	0	0	0	111.3	V170 V171 K172 C176 R177 N178 L188	V170-I174 HydrophobicContact CG1-CD1 3.87Å; V170-I174 WeakPolarHBondContact O-CG1 3.32Å; V170-I174 PolarHBondContact O-N 3.33Å; V171-I174 PolarHBondContact O-N 2.88Å; K172-I174 PolarHBondContact O-N 3.41Å; I174-C176 VanDerWaalsContact C-N 3.35Å; I174-C176 PolarHBondContact O-N 3.47Å; I174-R177 PolarHBondContact O-N 3.34Å; I174-N178 PolarHBondContact O-N 3.38Å; I174-L188 HydrophobicContact CD1-CD1 4.39Å; I174-L188 HydrophobicContact CG2-CD1 4.08Å
175	C	46.8	Very low	46.3	Very low	27 Å²	27	68.8 Å²	68.8	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-40.5	176	-70.7	0	0	0	0	111.8	V171 K172 Y247	V171-C175 WeakPolarHBondContact O-CB 3.3Å; V171-C175 PolarHBondContact O-N 2.77Å; V171-C175 PolarHBondContact O-SG 2.76Å; V171-C175 VanDerWaalsContact O-SG 3.33Å; K172-C175 PolarHBondContact O-N 3.33Å; C175-Y247 VanDerWaalsContact C-CE2 3.5Å; C175-Y247 HydrophobicContact CB-CD1 4.44Å; C175-Y247 HydrophobicContact CB-CD2 3.66Å; C175-Y247 HydrophobicContact CB-CE2 4.22Å; C175-Y247 HydrophobicContact CB-CG 3.76Å; C175-Y247 WeakPolarHBondContact O-CE2 3.36Å; C175-Y247 VanDerWaalsContact O-CZ 3.24Å; C175-Y247 PolarHBondContact O-OH 2.83Å
176	C	45.4	Very low	46.4	Very low	41 Å²	41	71 Å²	71	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-33.9	175.8	-75.9	0	0	0	0	113.2	K172 I174	K172-C176 VanDerWaalsContact O-CB 3.26Å; K172-C176 WeakPolarHBondContact O-CB 3.24Å; K172-C176 PolarHBondContact O-N 3.3Å; K172-C176 PolarHBondContact O-SG 3.06Å; I174-C176 VanDerWaalsContact C-N 3.35Å; I174-C176 PolarHBondContact O-N 3.47Å
177	R	46.6	Very low	46.7	Very low	127 Å²	127	67.8 Å²	67.8	48%	0.479	34%	0.335	S	S	.	.	H	α-helix	trans	-79.2	-40	179.5	-75.2	173.7	170.7	-157.1	-4.1	113.5	L143 D173 I174	L143-R177 PolarHBondContact O-NH2 2.83Å; D173-R177 WeakPolarHBondContact O-CB 3.13Å; D173-R177 VanDerWaalsContact O-CG 3.25Å; D173-R177 WeakPolarHBondContact O-CG 3.47Å; D173-R177 PolarHBondContact O-N 3.14Å; I174-R177 PolarHBondContact O-N 3.34Å
178	N	39.8	Very low	46.9	Very low	78 Å²	78	68.5 Å²	68.5	42%	0.417	34%	0.338	S	S	.	.			trans	-101.8	94.7	-170.4	-69.9	-2.4	0	0	0	113.5	I174 I180 L183	I174-N178 PolarHBondContact O-N 3.38Å; N178-I180 VanDerWaalsContact C-N 3.29Å; N178-L183 WeakPolarHBondContact ND2-CD1 3.38Å
179	N	43.4	Very low	47	Very low	65 Å²	65	68.2 Å²	68.2	35%	0.348	34%	0.337	S	S	.	.			trans	-77.1	-13.6	165.3	-81.6	-37.4	0	0	0	113.7	Y247 R251	N179-Y247 PolarHBondContact OD1-OH 3.36Å; N179-R251 PolarHBondContact OD1-NH2 3.15Å
180	I	39.4	Very low	47.2	Very low	113 Å²	113	70.7 Å²	70.7	58%	0.579	35%	0.349	S	S	*	.	S	Bend	trans	-115.6	134.4	-170.4	-62.2	174.6	0	0	0	109.1	N178	N178-I180 VanDerWaalsContact C-N 3.29Å
181	E	36.6	Very low	47.6	Very low	175 Å²	175	73.1 Å²	73.1	82%	0.818	36%	0.364	S	S	*	.			trans	63.2	137.6	173.8	-74.3	171.3	-154.3	0	0	118.8	L183	E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.49Å
182	K	40.5	Very low	47.9	Very low	204 Å²	204	73.2 Å²	73.2	89%	0.887	36%	0.364	S	S	*	.			trans	-69	87.8	161.4	-72	177.5	175.1	177.9	0	108.5	K184	K182-K184 PolarHBondContact O-N 2.92Å
183	L	46	Very low	48.1	Very low	91 Å²	91	72.7 Å²	72.7	48%	0.476	37%	0.366	S	S	.	.			trans	-49.2	115.7	155.2	-89.1	164.7	0	0	0	107.2	N178 E181 L185	N178-L183 WeakPolarHBondContact ND2-CD1 3.38Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.49Å; L183-L185 PolarHBondContact O-N 3.49Å
184	K	50	Low	48.3	Very low	153 Å²	153	78.1 Å²	78.1	67%	0.665	39%	0.387	S	S	*	.			trans	-53.5	135.8	-176.2	-68.9	-178.2	179.2	178.7	0	108.3	K182 T186 S187 L188	K182-K184 PolarHBondContact O-N 2.92Å; K184-T186 PolarHBondContact O-N 2.77Å; K184-S187 PolarHBondContact N-OG 3.4Å; K184-S187 PolarHBondContact O-N 2.83Å; K184-S187 PolarHBondContact O-OG 3.06Å; K184-L188 PolarHBondContact O-N 3.22Å
185	L	48.3	Very low	48.4	Very low	85 Å²	85	80.9 Å²	80.9	45%	0.445	40%	0.396	S	S	.	.	H	α-helix	trans	-49.2	-32.8	-176.6	-113.6	74.4	0	0	0	112.3	L183 L188 A189	L183-L185 PolarHBondContact O-N 3.49Å; L185-L188 WeakPolarHBondContact O-CB 3.45Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-A189 VanDerWaalsContact O-CB 3.28Å; L185-A189 WeakPolarHBondContact O-CB 3.36Å; L185-A189 PolarHBondContact O-N 3.01Å
186	T	48.6	Very low	48.5	Very low	56 Å²	56	80.3 Å²	80.3	34%	0.344	39%	0.39	S	S	.	.	H	α-helix	trans	-57.4	-52.1	173.2	60.7	0	0	0	0	113.7	K184 L188 A189 Q190 E226	K184-T186 PolarHBondContact O-N 2.77Å; T186-L188 PolarHBondContact O-N 2.89Å; T186-A189 WeakPolarHBondContact O-CB 3.48Å; T186-A189 PolarHBondContact O-N 3.01Å; T186-A189 VanDerWaalsContact O-N 3.1Å; T186-Q190 WeakPolarHBondContact O-CB 3.46Å; T186-Q190 VanDerWaalsContact O-CG 3.26Å; T186-Q190 WeakPolarHBondContact O-CG 3.1Å; T186-Q190 PolarHBondContact O-N 2.98Å; T186-E226 WeakPolarHBondContact CA-OE2 3.46Å; T186-E226 WeakPolarHBondContact CB-OE2 3.17Å; T186-E226 WeakPolarHBondContact CG2-OE2 3.45Å
187	S	53.7	Low	48.6	Very low	36 Å²	36	79.1 Å²	79.1	25%	0.252	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-34.3	176.8	64.3	0	0	0	0	112.7	K184 T191	K184-S187 PolarHBondContact N-OG 3.4Å; K184-S187 PolarHBondContact O-N 2.83Å; K184-S187 PolarHBondContact O-OG 3.06Å; S187-T191 PolarHBondContact O-N 3.37Å; S187-T191 PolarHBondContact O-OG1 2.83Å
188	L	55.1	Low	48.9	Very low	23 Å²	23	78.1 Å²	78.1	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-70.8	-48.8	173.8	-146.2	80	0	0	0	110.2	I174 K184 L185 T186 Q190 T191 Y192 F236 V240	I174-L188 HydrophobicContact CD1-CD1 4.39Å; I174-L188 HydrophobicContact CG2-CD1 4.08Å; K184-L188 PolarHBondContact O-N 3.22Å; L185-L188 WeakPolarHBondContact O-CB 3.45Å; L185-L188 PolarHBondContact O-N 3.39Å; T186-L188 PolarHBondContact O-N 2.89Å; L188-Q190 PolarHBondContact O-N 3.26Å; L188-T191 CarbonylContact O-C 3.57Å; L188-T191 WeakPolarHBondContact O-CA 3.41Å; L188-T191 WeakPolarHBondContact O-CB 3.28Å; L188-T191 PolarHBondContact O-N 2.69Å; L188-Y192 HydrophobicContact CD2-CE2 3.84Å; L188-Y192 HydrophobicContact CG-CD2 4.19Å; L188-Y192 HydrophobicContact CG-CE2 3.68Å; L188-Y192 WeakPolarHBondContact O-CD2 3.35Å; L188-Y192 PolarHBondContact O-N 3.35Å; L188-F236 HydrophobicContact CB-CZ 4.41Å; L188-V240 HydrophobicContact CD2-CG2 4.28Å
189	A	52	Low	49.1	Very low	4 Å²	4	75.3 Å²	75.3	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-57.3	-43.2	178.2	0	0	0	0	0	112.7	L185 T186 Y192 A193 Y227 F236	L185-A189 VanDerWaalsContact O-CB 3.28Å; L185-A189 WeakPolarHBondContact O-CB 3.36Å; L185-A189 PolarHBondContact O-N 3.01Å; T186-A189 WeakPolarHBondContact O-CB 3.48Å; T186-A189 PolarHBondContact O-N 3.01Å; T186-A189 VanDerWaalsContact O-N 3.1Å; A189-Y192 PolarHBondContact O-N 3.1Å; A189-A193 WeakPolarHBondContact O-CB 3.47Å; A189-A193 PolarHBondContact O-N 2.78Å; A189-Y227 HydrophobicContact CB-CE1 4.02Å; A189-F236 HydrophobicContact CB-CD1 3.83Å; A189-F236 HydrophobicContact CB-CE1 3.36Å; A189-F236 HydrophobicContact CB-CE2 4.47Å; A189-F236 HydrophobicContact CB-CZ 3.73Å
190	Q	55.1	Low	49.1	Very low	91 Å²	91	72.5 Å²	72.5	43%	0.425	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-41.3	174.5	-69.5	172	11.6	0	0	111.3	T186 L188 A193 K194 E226	T186-Q190 WeakPolarHBondContact O-CB 3.46Å; T186-Q190 VanDerWaalsContact O-CG 3.26Å; T186-Q190 WeakPolarHBondContact O-CG 3.1Å; T186-Q190 PolarHBondContact O-N 2.98Å; L188-Q190 PolarHBondContact O-N 3.26Å; Q190-A193 PolarHBondContact O-N 3.33Å; Q190-K194 WeakPolarHBondContact O-CB 3.01Å; Q190-K194 PolarHBondContact O-N 3.42Å; Q190-E226 PolarHBondContact NE2-OE1 2.87Å
191	T	55.9	Low	49.7	Very low	58 Å²	58	70 Å²	70	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-40.7	174.8	-58.8	0	0	0	0	111.4	S187 L188 R195	S187-T191 PolarHBondContact O-N 3.37Å; S187-T191 PolarHBondContact O-OG1 2.83Å; L188-T191 CarbonylContact O-C 3.57Å; L188-T191 WeakPolarHBondContact O-CA 3.41Å; L188-T191 WeakPolarHBondContact O-CB 3.28Å; L188-T191 PolarHBondContact O-N 2.69Å; T191-R195 WeakPolarHBondContact O-CB 3.42Å; T191-R195 WeakPolarHBondContact O-CG 3.07Å; T191-R195 PolarHBondContact O-N 2.87Å
192	Y	54.1	Low	50.6	Low	3 Å²	3	66 Å²	66	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-69.4	-41.9	173.5	-74.9	-68.5	0	0	0	113.1	I167 V170 V171 L188 A189 K194 R195 I196 F236	I167-Y192 HydrophobicContact CG2-CD1 3.98Å; I167-Y192 HydrophobicContact CG2-CE1 3.96Å; V170-Y192 HydrophobicContact CB-CE1 4.04Å; V170-Y192 HydrophobicContact CG1-CE1 3.59Å; V171-Y192 WeakPolarHBondContact CA-OH 3.32Å; V171-Y192 VanDerWaalsContact CB-OH 3.32Å; V171-Y192 WeakPolarHBondContact CB-OH 3.32Å; V171-Y192 HydrophobicContact CG1-CE2 4.48Å; V171-Y192 VanDerWaalsContact CG1-OH 3.3Å; V171-Y192 WeakPolarHBondContact CG1-OH 3.09Å; V171-Y192 HydrophobicContact CG2-CE1 4.24Å; V171-Y192 WeakPolarHBondContact CG2-OH 3.3Å; V171-Y192 PolarHBondContact N-OH 2.92Å; V171-Y192 VanDerWaalsContact N-OH 3.17Å; L188-Y192 HydrophobicContact CD2-CE2 3.84Å; L188-Y192 HydrophobicContact CG-CD2 4.19Å; L188-Y192 HydrophobicContact CG-CE2 3.68Å; L188-Y192 WeakPolarHBondContact O-CD2 3.35Å; L188-Y192 PolarHBondContact O-N 3.35Å; A189-Y192 PolarHBondContact O-N 3.1Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.05Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 2.91Å; Y192-R195 VanDerWaalsContact O-N 3.11Å; Y192-I196 WeakPolarHBondContact O-CB 3.27Å; Y192-I196 VanDerWaalsContact O-CG1 3.24Å; Y192-I196 WeakPolarHBondContact O-CG1 3.43Å; Y192-I196 PolarHBondContact O-N 3.22Å; Y192-F236 AromaticContact CD2-CD2 3.97Å; Y192-F236 HydrophobicContact CD2-CD2 3.97Å; Y192-F236 AromaticContact CD2-CE2 3.26Å; Y192-F236 HydrophobicContact CD2-CE2 3.26Å; Y192-F236 HydrophobicContact CD2-CZ 4.13Å; Y192-F236 AromaticContact CE2-CE2 3.86Å; Y192-F236 HydrophobicContact CE2-CE2 3.86Å; Y192-F236 HydrophobicContact CG-CD2 4.26Å; Y192-F236 AromaticContact CG-CE2 3.99Å; Y192-F236 HydrophobicContact CG-CE2 3.99Å
193	A	53.5	Low	51.5	Low	20 Å²	20	62.8 Å²	62.8	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-42	177.2	0	0	0	0	0	110.8	A189 Q190 A197 Y232	A189-A193 WeakPolarHBondContact O-CB 3.47Å; A189-A193 PolarHBondContact O-N 2.78Å; Q190-A193 PolarHBondContact O-N 3.33Å; A193-A197 VanDerWaalsContact O-CB 3.28Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.32Å; A193-Y232 WeakPolarHBondContact CA-OH 3.49Å; A193-Y232 HydrophobicContact CB-CE1 4.32Å; A193-Y232 WeakPolarHBondContact CB-OH 3.42Å; A193-Y232 PolarHBondContact N-OH 3.17Å; A193-Y232 VanDerWaalsContact N-OH 3.1Å
194	K	56	Low	52.2	Low	152 Å²	152	61 Å²	61	66%	0.661	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-47.4	172.2	-174.1	177.4	179.7	-178.8	0	112.1	Q190 Y192 I198	Q190-K194 WeakPolarHBondContact O-CB 3.01Å; Q190-K194 PolarHBondContact O-N 3.42Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.05Å; K194-I198 HydrophobicContact CG-CD1 4.16Å; K194-I198 WeakPolarHBondContact O-CD1 3.48Å; K194-I198 VanDerWaalsContact O-CG1 3.25Å; K194-I198 WeakPolarHBondContact O-CG1 3.49Å; K194-I198 PolarHBondContact O-N 3.36Å; K194-I198 VanDerWaalsContact O-N 3.17Å
195	R	49.3	Very low	52.7	Low	97 Å²	97	53.9 Å²	53.9	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-34.9	179.5	-75	-177.1	-172.1	-142.4	3.3	113	Y166 V170 T191 Y192 I198 A199	Y166-R195 HydrophobicContact CE1-CB 4.44Å; V170-R195 VanDerWaalsContact CG1-NH1 3.35Å; T191-R195 WeakPolarHBondContact O-CB 3.42Å; T191-R195 WeakPolarHBondContact O-CG 3.07Å; T191-R195 PolarHBondContact O-N 2.87Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 2.91Å; Y192-R195 VanDerWaalsContact O-N 3.11Å; R195-I198 PolarHBondContact O-N 3.49Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 2.96Å
196	I	49.8	Very low	53.2	Low	14 Å²	14	53.6 Å²	53.6	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-73.8	-42.9	178.3	-68.5	164.6	0	0	0	110.3	F162 I167 Y192 I198 A199 D200 Y232	F162-I196 HydrophobicContact CD2-CG2 4.38Å; F162-I196 HydrophobicContact CE2-CG2 4.17Å; I167-I196 HydrophobicContact CD1-CD1 3.65Å; I167-I196 HydrophobicContact CD1-CG1 4.06Å; I167-I196 HydrophobicContact CG1-CD1 4.21Å; I167-I196 HydrophobicContact CG1-CG1 4.29Å; Y192-I196 WeakPolarHBondContact O-CB 3.27Å; Y192-I196 VanDerWaalsContact O-CG1 3.24Å; Y192-I196 WeakPolarHBondContact O-CG1 3.43Å; Y192-I196 PolarHBondContact O-N 3.22Å; I196-I198 PolarHBondContact O-N 3.4Å; I196-A199 CarbonylContact O-C 3.55Å; I196-A199 PolarHBondContact O-N 3.31Å; I196-A199 VanDerWaalsContact O-N 3.13Å; I196-D200 WeakPolarHBondContact O-CB 3.36Å; I196-D200 PolarHBondContact O-N 3.37Å; I196-Y232 HydrophobicContact CD1-CE2 3.75Å
197	A	47.6	Very low	53.8	Low	17 Å²	17	52.4 Å²	52.4	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-24.4	171.8	0	0	0	0	0	113.8	A193 L212	A193-A197 VanDerWaalsContact O-CB 3.28Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.32Å; A197-L212 HydrophobicContact CB-CB 4.11Å; A197-L212 HydrophobicContact CB-CD1 3.87Å
198	I	52.4	Low	54.4	Low	105 Å²	105	53.2 Å²	53.2	54%	0.538	28%	0.281	S	S	.	.	H	α-helix	trans	-80.8	-49.6	170.4	-67.2	163.2	0	0	0	110.2	N160 K194 R195 I196 D200 G201	N160-I198 PolarHBondContact ND2-O 2.93Å; K194-I198 HydrophobicContact CG-CD1 4.16Å; K194-I198 WeakPolarHBondContact O-CD1 3.48Å; K194-I198 VanDerWaalsContact O-CG1 3.25Å; K194-I198 WeakPolarHBondContact O-CG1 3.49Å; K194-I198 PolarHBondContact O-N 3.36Å; K194-I198 VanDerWaalsContact O-N 3.17Å; R195-I198 PolarHBondContact O-N 3.49Å; I196-I198 PolarHBondContact O-N 3.4Å; I198-D200 PolarHBondContact O-N 3.44Å; I198-G201 PolarHBondContact O-N 3.47Å
199	A	43.6	Very low	54.8	Low	19 Å²	19	54.3 Å²	54.3	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-76.1	0.9	-175.5	0	0	0	0	0	115.3	N160 N161 F162 R195 I196	N160-A199 CarbonylContact C-O 3.51Å; N160-A199 WeakPolarHBondContact CB-O 3.48Å; N161-A199 CarbonylContact C-O 3.52Å; N161-A199 PolarHBondContact N-O 2.94Å; N161-A199 VanDerWaalsContact N-O 3.16Å; F162-A199 PolarHBondContact N-O 2.67Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 2.96Å; I196-A199 CarbonylContact O-C 3.55Å; I196-A199 PolarHBondContact O-N 3.31Å; I196-A199 VanDerWaalsContact O-N 3.13Å
200	D	44.4	Very low	55.4	Low	6 Å²	6	62.1 Å²	62.1	3%	0.032	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-8.8	165.7	-82.1	-31.5	0	0	0	113.5	N160 F162 I196 I198 I202 K206	N160-D200 CarbonylContact O-C 3.59Å; N160-D200 WeakPolarHBondContact O-CA 3.47Å; F162-D200 VanDerWaalsContact CA-OD1 3.24Å; F162-D200 WeakPolarHBondContact CA-OD1 3.3Å; F162-D200 WeakPolarHBondContact CB-OD1 3.12Å; F162-D200 WeakPolarHBondContact CD2-OD2 3.41Å; F162-D200 PolarHBondContact N-OD1 3.31Å; I196-D200 WeakPolarHBondContact O-CB 3.36Å; I196-D200 PolarHBondContact O-N 3.37Å; I198-D200 PolarHBondContact O-N 3.44Å; D200-I202 PolarHBondContact O-N 3.13Å; D200-K206 VanDerWaalsContact CG-CE 3.45Å; D200-K206 WeakPolarHBondContact OD1-CD 3.29Å; D200-K206 WeakPolarHBondContact OD1-CE 3.42Å; D200-K206 IonicContact OD1-NZ 2.8Å; D200-K206 PolarHBondContact OD1-NZ 2.86Å; D200-K206 WeakPolarHBondContact OD2-CD 3.47Å
201	G	51.4	Low	55.8	Low	60 Å²	60	63.5 Å²	63.5	62%	0.619	34%	0.336	S	S	*	.	S	Bend	trans	65.3	-28.2	-170.6	0	0	0	0	0	114.8	I198	I198-G201 PolarHBondContact O-N 3.47Å
202	I	55.2	Low	55.9	Low	92 Å²	92	62.1 Å²	62.1	47%	0.472	33%	0.326	S	S	.	.	S	Bend	trans	-89.9	123.3	178.2	-62.2	161	0	0	0	107.7	D200 N204	D200-I202 PolarHBondContact O-N 3.13Å; I202-N204 HydrophobicContact CG2-CB 3.64Å; I202-N204 PolarHBondContact O-N 2.81Å
203	K	58.6	Low	55.6	Low	136 Å²	136	65.6 Å²	65.6	59%	0.591	35%	0.351	S	S	*	.	S	Bend	trans	-71.2	22	176.9	-63.6	-174.2	179.9	179.7	0	113.4	I211 L212	K203-I211 HydrophobicContact CB-CG2 4.3Å; K203-I211 CarbonylContact O-C 3.49Å; K203-I211 VanDerWaalsContact O-CA 3.3Å; K203-I211 WeakPolarHBondContact O-CA 3.45Å; K203-I211 WeakPolarHBondContact O-CG2 3.38Å; K203-L212 PolarHBondContact O-N 3.06Å
204	N	61	Low	55.2	Low	54 Å²	54	69.7 Å²	69.7	29%	0.289	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-125	137.1	-170	-54.6	35	0	0	0	110	I202 K206 G209 R210	I202-N204 HydrophobicContact CG2-CB 3.64Å; I202-N204 PolarHBondContact O-N 2.81Å; N204-K206 PolarHBondContact O-N 3.44Å; N204-K206 VanDerWaalsContact O-N 3.1Å; N204-G209 WeakPolarHBondContact CB-O 3.37Å; N204-G209 PolarHBondContact ND2-O 3.01Å; N204-R210 CarbonylContact C-O 3.2Å; N204-R210 WeakPolarHBondContact CA-O 3.42Å
205	C	61.9	Low	54.3	Low	3 Å²	3	67.1 Å²	67.1	2%	0.02	38%	0.375	C	S	.	.			trans	-62.5	108.1	176.2	176.9	0	0	0	0	110.7	F207 C208 G209 R210 L212 C228	C205-F207 PolarHBondContact O-N 3.29Å; C205-C208 PolarHBondContact O-N 2.82Å; C205-G209 PolarHBondContact O-N 3.45Å; C205-R210 WeakPolarHBondContact CB-O 3.25Å; C205-R210 PolarHBondContact N-O 3.15Å; C205-L212 HydrophobicContact CB-CD1 4.28Å; C205-L212 HydrophobicContact CB-CD2 4.09Å; C205-L212 HydrophobicContact CB-CG 4.05Å; C205-C228 HydrophobicContact CB-CB 3.39Å; C205-C228 WeakPolarHBondContact CB-SG 3.46Å; C205-C228 WeakPolarHBondContact SG-CB 3.36Å; C205-C228 CovalentContact SG-SG 2.04Å; C205-C228 PolarHBondContact SG-SG 3.3Å
206	K	57.6	Low	53.6	Low	79 Å²	79	68.2 Å²	68.2	34%	0.343	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.3	-178	-82.3	-174.5	169.8	168.3	0	115	N161 F162 D200 N204	N161-K206 PolarHBondContact OD1-NZ 2.94Å; F162-K206 HydrophobicContact CB-CD 4.09Å; F162-K206 HydrophobicContact CD2-CD 3.91Å; F162-K206 HydrophobicContact CG-CD 4.18Å; D200-K206 VanDerWaalsContact CG-CE 3.45Å; D200-K206 WeakPolarHBondContact OD1-CD 3.29Å; D200-K206 WeakPolarHBondContact OD1-CE 3.42Å; D200-K206 IonicContact OD1-NZ 2.8Å; D200-K206 PolarHBondContact OD1-NZ 2.86Å; D200-K206 WeakPolarHBondContact OD2-CD 3.47Å; N204-K206 PolarHBondContact O-N 3.44Å; N204-K206 VanDerWaalsContact O-N 3.1Å
207	F	61.2	Low	52.7	Low	32 Å²	32	74.1 Å²	74.1	14%	0.14	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.4	177.5	-64.9	-78	0	0	0	116.1	F162 C205 C229 R231 Y232 L235 I441	F162-F207 HydrophobicContact CE1-CZ 4.39Å; F162-F207 HydrophobicContact CE2-CE2 4.18Å; F162-F207 AromaticContact CZ-CE2 3.64Å; F162-F207 HydrophobicContact CZ-CE2 3.64Å; F162-F207 AromaticContact CZ-CZ 3.74Å; F162-F207 HydrophobicContact CZ-CZ 3.74Å; C205-F207 PolarHBondContact O-N 3.29Å; F207-C229 WeakPolarHBondContact CB-SG 3.24Å; F207-R231 HydrophobicContact CB-CB 4.03Å; F207-R231 HydrophobicContact CD1-CB 3.29Å; F207-R231 HydrophobicContact CD1-CG 4.28Å; F207-R231 HydrophobicContact CE1-CB 3.77Å; F207-R231 HydrophobicContact CG-CB 3.75Å; F207-Y232 HydrophobicContact CD2-CD2 4.18Å; F207-Y232 HydrophobicContact CD2-CG 4.46Å; F207-Y232 HydrophobicContact CE2-CD2 4.12Å; F207-L235 HydrophobicContact CE2-CB 4.41Å; F207-L235 HydrophobicContact CE2-CD2 4.1Å; F207-L235 HydrophobicContact CZ-CB 3.99Å; F207-L235 HydrophobicContact CZ-CD2 3.81Å; F207-L235 HydrophobicContact CZ-CG 4.45Å; F207-I441 HydrophobicContact CD1-CD1 3.4Å; F207-I441 HydrophobicContact CE1-CD1 3.76Å
208	C	67.6	Low	51.9	Low	52 Å²	52	80.9 Å²	80.9	35%	0.351	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	6.3	-175.6	69.4	0	0	0	0	115.2	C205 R210 C228 C229	C205-C208 PolarHBondContact O-N 2.82Å; C208-R210 PolarHBondContact O-N 3.18Å; C208-C228 PolarHBondContact SG-O 2.79Å; C208-C229 HydrophobicContact CB-CB 3.84Å
209	G	63.1	Low	50.7	Low	46 Å²	46	82.1 Å²	82.1	47%	0.474	47%	0.466	S	S	.	.			trans	70.4	-11	177.8	0	0	0	0	0	116.2	N204 C205	N204-G209 WeakPolarHBondContact CB-O 3.37Å; N204-G209 PolarHBondContact ND2-O 3.01Å; C205-G209 PolarHBondContact O-N 3.45Å
210	R	64.7	Low	50.1	Low	168 Å²	168	87.6 Å²	87.6	63%	0.634	49%	0.492	S	S	*	.			trans	-63	135.9	179.5	-69.8	-178.2	174.5	176.9	-8.2	111.7	N204 C205 C208 L212 C228	N204-R210 CarbonylContact C-O 3.2Å; N204-R210 WeakPolarHBondContact CA-O 3.42Å; C205-R210 WeakPolarHBondContact CB-O 3.25Å; C205-R210 PolarHBondContact N-O 3.15Å; C208-R210 PolarHBondContact O-N 3.18Å; R210-L212 PolarHBondContact O-N 2.64Å; R210-C228 HydrophobicContact CB-CB 4.47Å; R210-C228 WeakPolarHBondContact CD-O 3.15Å; R210-C228 PolarHBondContact NH1-O 3.37Å
211	I	62.2	Low	49.5	Very low	120 Å²	120	95.7 Å²	95.7	62%	0.615	53%	0.529	S	S	*	.	B	Isolated β-bridge	trans	-67.2	122	176.7	-56.7	175.8	0	0	0	109.5	K203 S213	K203-I211 HydrophobicContact CB-CG2 4.3Å; K203-I211 CarbonylContact O-C 3.49Å; K203-I211 VanDerWaalsContact O-CA 3.3Å; K203-I211 WeakPolarHBondContact O-CA 3.45Å; K203-I211 WeakPolarHBondContact O-CG2 3.38Å; I211-S213 PolarHBondContact O-N 2.87Å; I211-S213 VanDerWaalsContact O-N 3.1Å
212	L	58.8	Low	48.5	Very low	29 Å²	29	100.8 Å²	100.8	15%	0.152	54%	0.541	C	S	.	.			trans	-74.3	93	172.3	-68.5	170.8	0	0	0	108.3	A197 K203 C205 R210 S214 C228	A197-L212 HydrophobicContact CB-CB 4.11Å; A197-L212 HydrophobicContact CB-CD1 3.87Å; K203-L212 PolarHBondContact O-N 3.06Å; C205-L212 HydrophobicContact CB-CD1 4.28Å; C205-L212 HydrophobicContact CB-CD2 4.09Å; C205-L212 HydrophobicContact CB-CG 4.05Å; R210-L212 PolarHBondContact O-N 2.64Å; L212-S214 PolarHBondContact O-N 2.82Å; L212-C228 HydrophobicContact CD2-CB 3.96Å
213	S	48.6	Very low	47.6	Very low	77 Å²	77	99.3 Å²	99.3	54%	0.538	54%	0.539	S	S	.	.			trans	-64.1	123	-174.5	-171.5	0	0	0	0	112.1	I211 T215	I211-S213 PolarHBondContact O-N 2.87Å; I211-S213 VanDerWaalsContact O-N 3.1Å; S213-T215 PolarHBondContact O-N 3.24Å; S213-T215 PolarHBondContact OG-OG1 3.48Å
214	S	45.2	Very low	46.9	Very low	106 Å²	106	98.5 Å²	98.5	74%	0.741	54%	0.541	S	S	*	.	S	Bend	trans	-73.2	10.9	-177.1	49.9	0	0	0	0	115.1	L212	L212-S214 PolarHBondContact O-N 2.82Å
215	T	35.4	Very low	46.4	Very low	97 Å²	97	103.8 Å²	103.8	60%	0.595	56%	0.564	S	S	*	*			trans	-138.8	70.9	-168.3	58.4	0	0	0	0	113.5	S213	S213-T215 PolarHBondContact O-N 3.24Å; S213-T215 PolarHBondContact OG-OG1 3.48Å
216	L	35.3	Very low	46.1	Very low	121 Å²	121	107.3 Å²	107.3	63%	0.634	58%	0.581	S	S	*	*			trans	-115.4	85.6	155.6	-84.9	89.8	0	0	0	109.8	K218	L216-K218 VanDerWaalsContact C-N 3.33Å
217	T	30.2	Very low	46.2	Very low	138 Å²	138	105.1 Å²	105.1	85%	0.847	57%	0.57	S	S	*	*			trans	-97.3	32.5	176.9	49.2	0	0	0	0	112.5
218	K	31.6	Very low	46.5	Very low	159 Å²	159	104.3 Å²	104.3	69%	0.691	57%	0.568	S	S	*	*	S	Bend	trans	-135.4	134.9	175.8	-68.6	-173.1	178.5	-178.6	0	110.1	L216 L220	L216-K218 VanDerWaalsContact C-N 3.33Å; K218-L220 HydrophobicContact CB-CD1 3.89Å; K218-L220 PolarHBondContact O-N 2.8Å
219	P	28.2	Very low	46.3	Very low	131 Å²	131	103.2 Å²	103.2	85%	0.851	56%	0.561	S	S	*	*			trans	-76.5	88.6	176	31.6	-33.6	0	0	0	109.8
220	L	30.9	Very low	46.4	Very low	133 Å²	133	106.4 Å²	106.4	70%	0.696	57%	0.567	S	S	*	*			trans	-72.1	149.6	171	-89.9	74.6	0	0	0	110.7	K218	K218-L220 HydrophobicContact CB-CD1 3.89Å; K218-L220 PolarHBondContact O-N 2.8Å
221	H	31	Very low	46.1	Very low	176 Å²	176	102 Å²	102	82%	0.815	55%	0.551	S	S	*	*			trans	-74.7	164.4	174.6	-97.6	-128.7	0	0	0	111.9	S223	H221-S223 PolarHBondContact O-N 3.08Å
222	L	29.9	Very low	46.1	Very low	168 Å²	168	96.6 Å²	96.6	88%	0.88	52%	0.522	S	S	*	.	S	Bend	trans	-43.4	112.6	-177.3	-79.5	54.8	0	0	0	114
223	S	36.8	Very low	46.3	Very low	61 Å²	61	96.3 Å²	96.3	43%	0.427	52%	0.52	S	S	.	.			trans	-145.5	163.4	153.3	77.9	0	0	0	0	108.9	H221 E225	H221-S223 PolarHBondContact O-N 3.08Å; S223-E225 WeakPolarHBondContact CB-OE2 3.26Å; S223-E225 PolarHBondContact O-N 2.8Å; S223-E225 WeakPolarHBondContact OG-CB 3.39Å; S223-E225 WeakPolarHBondContact OG-CG 3.25Å; S223-E225 PolarHBondContact OG-N 2.81Å; S223-E225 PolarHBondContact OG-OE2 2.94Å
224	N	44.3	Very low	46.9	Very low	119 Å²	119	97.8 Å²	97.8	64%	0.636	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-77.2	9.9	178.9	-76.2	-40.3	0	0	0	113.6	E226	N224-E226 PolarHBondContact O-N 3.42Å
225	E	50.2	Low	47.7	Very low	165 Å²	165	93.4 Å²	93.4	77%	0.771	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-85.2	-2.2	-167.1	-60.1	170.1	125.9	0	0	114.3	S223 Y227	S223-E225 WeakPolarHBondContact CB-OE2 3.26Å; S223-E225 PolarHBondContact O-N 2.8Å; S223-E225 WeakPolarHBondContact OG-CB 3.39Å; S223-E225 WeakPolarHBondContact OG-CG 3.25Å; S223-E225 PolarHBondContact OG-N 2.81Å; S223-E225 PolarHBondContact OG-OE2 2.94Å; E225-Y227 PolarHBondContact O-N 3.42Å
226	E	56	Low	48.9	Very low	77 Å²	77	89.1 Å²	89.1	36%	0.36	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-67.1	-14.3	178.8	-65.5	-163.6	131.2	0	0	114.4	T186 Q190 N224	T186-E226 WeakPolarHBondContact CA-OE2 3.46Å; T186-E226 WeakPolarHBondContact CB-OE2 3.17Å; T186-E226 WeakPolarHBondContact CG2-OE2 3.45Å; Q190-E226 PolarHBondContact NE2-OE1 2.87Å; N224-E226 PolarHBondContact O-N 3.42Å
227	Y	59.1	Low	50.1	Low	33 Å²	33	86.3 Å²	86.3	13%	0.129	44%	0.436	C	S	.	.	S	Bend	trans	-107.4	132.2	-173.6	-58.5	-87	0	0	0	111.8	A189 E225 C229 Y232 H233 F236	A189-Y227 HydrophobicContact CB-CE1 4.02Å; E225-Y227 PolarHBondContact O-N 3.42Å; Y227-C229 PolarHBondContact O-N 2.86Å; Y227-Y232 AromaticContact CD1-CD1 3.78Å; Y227-Y232 HydrophobicContact CD1-CD1 3.78Å; Y227-Y232 AromaticContact CD1-CE1 3.89Å; Y227-Y232 HydrophobicContact CD1-CE1 3.89Å; Y227-Y232 HydrophobicContact CE1-CE1 4.46Å; Y227-H233 HydrophobicContact CD1-CB 3.69Å; Y227-H233 AromaticContact CD1-CD2 3.9Å; Y227-H233 HydrophobicContact CD2-CB 4.22Å; Y227-H233 AromaticContact CD2-CD2 3.79Å; Y227-H233 AromaticContact CD2-CG 3.93Å; Y227-H233 HydrophobicContact CE1-CB 4.29Å; Y227-H233 AromaticContact CE1-CD2 3.65Å; Y227-H233 AromaticContact CE2-CD2 3.54Å; Y227-H233 AromaticContact CE2-NE2 3.8Å; Y227-H233 HydrophobicContact CG-CB 3.66Å; Y227-H233 AromaticContact CG-CD2 3.98Å; Y227-H233 AromaticContact CG-CG 3.88Å; Y227-H233 AromaticContact CZ-CD2 3.48Å; Y227-H233 VanDerWaalsContact CZ-CD2 3.48Å; Y227-F236 AromaticContact CE1-CD1 3.73Å; Y227-F236 HydrophobicContact CE1-CD1 3.73Å; Y227-F236 HydrophobicContact CE1-CG 4.4Å
228	C	66.6	Low	51.5	Low	14 Å²	14	80 Å²	80	10%	0.095	40%	0.397	C	S	.	.	S	Bend	trans	-58	-33.7	177.8	47.8	0	0	0	0	113.7	C205 C208 R210 L212 Y232	C205-C228 HydrophobicContact CB-CB 3.39Å; C205-C228 WeakPolarHBondContact CB-SG 3.46Å; C205-C228 WeakPolarHBondContact SG-CB 3.36Å; C205-C228 CovalentContact SG-SG 2.04Å; C205-C228 PolarHBondContact SG-SG 3.3Å; C208-C228 PolarHBondContact SG-O 2.79Å; R210-C228 HydrophobicContact CB-CB 4.47Å; R210-C228 WeakPolarHBondContact CD-O 3.15Å; R210-C228 PolarHBondContact NH1-O 3.37Å; L212-C228 HydrophobicContact CD2-CB 3.96Å; C228-Y232 WeakPolarHBondContact SG-CB 3.08Å
229	C	63.8	Low	52.8	Low	29 Å²	29	72.5 Å²	72.5	20%	0.196	37%	0.365	C	S	.	.	S	Bend	trans	-165.4	171	168.5	67.1	0	0	0	0	111.4	F207 C208 Y227 R231 Y232 H233	F207-C229 WeakPolarHBondContact CB-SG 3.24Å; C208-C229 HydrophobicContact CB-CB 3.84Å; Y227-C229 PolarHBondContact O-N 2.86Å; C229-R231 VanDerWaalsContact C-N 3.27Å; C229-R231 PolarHBondContact O-N 3.22Å; C229-Y232 PolarHBondContact O-N 2.67Å; C229-H233 PolarHBondContact O-N 2.76Å; C229-H233 VanDerWaalsContact O-N 3.16Å
230	D	65.2	Low	54.2	Low	113 Å²	113	66.5 Å²	66.5	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-57.9	-32.5	-179.3	-63.3	-27	0	0	0	114.5	H233 R234	D230-H233 WeakPolarHBondContact O-CB 3.47Å; D230-H233 PolarHBondContact O-N 3.32Å; D230-R234 WeakPolarHBondContact O-CB 3.32Å; D230-R234 VanDerWaalsContact O-CG 3.25Å; D230-R234 WeakPolarHBondContact O-CG 3.07Å; D230-R234 PolarHBondContact O-N 3.4Å
231	R	59.7	Low	55.5	Low	77 Å²	77	62.8 Å²	62.8	29%	0.291	31%	0.307	S	S	.	.	H	α-helix	trans	-72.5	-37.9	-179.1	-65.8	-172.9	-177.4	143.8	6.5	112.7	F207 C229 H233 R234 L235 N446	F207-R231 HydrophobicContact CB-CB 4.03Å; F207-R231 HydrophobicContact CD1-CB 3.29Å; F207-R231 HydrophobicContact CD1-CG 4.28Å; F207-R231 HydrophobicContact CE1-CB 3.77Å; F207-R231 HydrophobicContact CG-CB 3.75Å; C229-R231 VanDerWaalsContact C-N 3.27Å; C229-R231 PolarHBondContact O-N 3.22Å; R231-H233 VanDerWaalsContact C-N 3.31Å; R231-R234 PolarHBondContact O-N 3.04Å; R231-L235 PolarHBondContact O-N 3.31Å; R231-N446 PolarHBondContact NH1-O 3.02Å; R231-N446 PolarHBondContact NH1-OD1 3.24Å; R231-N446 PolarHBondContact NH2-O 2.61Å
232	Y	61.5	Low	56.8	Low	6 Å²	6	54.9 Å²	54.9	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-42.1	171.1	178.9	-104.2	0	0	0	110.7	A193 I196 F207 Y227 C228 C229 F236	A193-Y232 WeakPolarHBondContact CA-OH 3.49Å; A193-Y232 HydrophobicContact CB-CE1 4.32Å; A193-Y232 WeakPolarHBondContact CB-OH 3.42Å; A193-Y232 PolarHBondContact N-OH 3.17Å; A193-Y232 VanDerWaalsContact N-OH 3.1Å; I196-Y232 HydrophobicContact CD1-CE2 3.75Å; F207-Y232 HydrophobicContact CD2-CD2 4.18Å; F207-Y232 HydrophobicContact CD2-CG 4.46Å; F207-Y232 HydrophobicContact CE2-CD2 4.12Å; Y227-Y232 AromaticContact CD1-CD1 3.78Å; Y227-Y232 HydrophobicContact CD1-CD1 3.78Å; Y227-Y232 AromaticContact CD1-CE1 3.89Å; Y227-Y232 HydrophobicContact CD1-CE1 3.89Å; Y227-Y232 HydrophobicContact CE1-CE1 4.46Å; C228-Y232 WeakPolarHBondContact SG-CB 3.08Å; C229-Y232 PolarHBondContact O-N 2.67Å; Y232-F236 VanDerWaalsContact O-CB 3.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.25Å; Y232-F236 PolarHBondContact O-N 3.29Å
233	H	63.1	Low	58.1	Low	22 Å²	22	47.1 Å²	47.1	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-42.6	174	-177.6	-154.8	0	0	0	112.8	Y227 C229 D230 R231 F236 R237	Y227-H233 HydrophobicContact CD1-CB 3.69Å; Y227-H233 AromaticContact CD1-CD2 3.9Å; Y227-H233 HydrophobicContact CD2-CB 4.22Å; Y227-H233 AromaticContact CD2-CD2 3.79Å; Y227-H233 AromaticContact CD2-CG 3.93Å; Y227-H233 HydrophobicContact CE1-CB 4.29Å; Y227-H233 AromaticContact CE1-CD2 3.65Å; Y227-H233 AromaticContact CE2-CD2 3.54Å; Y227-H233 AromaticContact CE2-NE2 3.8Å; Y227-H233 HydrophobicContact CG-CB 3.66Å; Y227-H233 AromaticContact CG-CD2 3.98Å; Y227-H233 AromaticContact CG-CG 3.88Å; Y227-H233 AromaticContact CZ-CD2 3.48Å; Y227-H233 VanDerWaalsContact CZ-CD2 3.48Å; C229-H233 PolarHBondContact O-N 2.76Å; C229-H233 VanDerWaalsContact O-N 3.16Å; D230-H233 WeakPolarHBondContact O-CB 3.47Å; D230-H233 PolarHBondContact O-N 3.32Å; R231-H233 VanDerWaalsContact C-N 3.31Å; H233-F236 PolarHBondContact O-N 3.2Å; H233-R237 PolarHBondContact CE1-NH2 3.03Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.07Å; H233-R237 PolarHBondContact NE2-NH2 2.96Å; H233-R237 WeakPolarHBondContact O-CG 3.47Å; H233-R237 PolarHBondContact O-N 2.81Å
234	R	61.9	Low	59	Low	109 Å²	109	47.9 Å²	47.9	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-50.8	176	-73.6	174.2	-166.3	-153.8	2.2	112.1	D230 R231 F236 R237 L238 D420	D230-R234 WeakPolarHBondContact O-CB 3.32Å; D230-R234 VanDerWaalsContact O-CG 3.25Å; D230-R234 WeakPolarHBondContact O-CG 3.07Å; D230-R234 PolarHBondContact O-N 3.4Å; R231-R234 PolarHBondContact O-N 3.04Å; R234-F236 VanDerWaalsContact C-N 3.26Å; R234-F236 PolarHBondContact O-N 2.73Å; R234-R237 PolarHBondContact O-N 2.83Å; R234-L238 WeakPolarHBondContact O-CB 3.28Å; R234-L238 PolarHBondContact O-N 3.25Å; R234-D420 WeakPolarHBondContact CB-OD2 3.49Å
235	L	61.6	Low	59.6	Low	13 Å²	13	44.7 Å²	44.7	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-39.5	176.7	-174	74.1	0	0	0	111.2	F162 F164 F207 R231 L238 A239 L437	F162-L235 HydrophobicContact CE1-CD2 3.73Å; F162-L235 HydrophobicContact CE2-CD2 4.43Å; F162-L235 HydrophobicContact CZ-CD2 3.37Å; F164-L235 HydrophobicContact CD2-CD1 3.77Å; F164-L235 HydrophobicContact CD2-CD2 4.3Å; F164-L235 HydrophobicContact CD2-CG 4.21Å; F164-L235 HydrophobicContact CE2-CD1 3.6Å; F164-L235 HydrophobicContact CE2-CG 4.14Å; F207-L235 HydrophobicContact CE2-CB 4.41Å; F207-L235 HydrophobicContact CE2-CD2 4.1Å; F207-L235 HydrophobicContact CZ-CB 3.99Å; F207-L235 HydrophobicContact CZ-CD2 3.81Å; F207-L235 HydrophobicContact CZ-CG 4.45Å; R231-L235 PolarHBondContact O-N 3.31Å; L235-L238 HydrophobicContact CD1-CD2 4.08Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 PolarHBondContact O-N 3.39Å; L235-A239 PolarHBondContact O-N 3.17Å; L235-L437 HydrophobicContact CD1-CD2 4.42Å
236	F	60.5	Low	59.9	Low	7 Å²	7	37.3 Å²	37.3	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-47.2	176.2	175.9	-113.5	0	0	0	111.9	L188 A189 Y192 Y227 Y232 H233 R234 L238 A239 V240	L188-F236 HydrophobicContact CB-CZ 4.41Å; A189-F236 HydrophobicContact CB-CD1 3.83Å; A189-F236 HydrophobicContact CB-CE1 3.36Å; A189-F236 HydrophobicContact CB-CE2 4.47Å; A189-F236 HydrophobicContact CB-CZ 3.73Å; Y192-F236 AromaticContact CD2-CD2 3.97Å; Y192-F236 HydrophobicContact CD2-CD2 3.97Å; Y192-F236 AromaticContact CD2-CE2 3.26Å; Y192-F236 HydrophobicContact CD2-CE2 3.26Å; Y192-F236 HydrophobicContact CD2-CZ 4.13Å; Y192-F236 AromaticContact CE2-CE2 3.86Å; Y192-F236 HydrophobicContact CE2-CE2 3.86Å; Y192-F236 HydrophobicContact CG-CD2 4.26Å; Y192-F236 AromaticContact CG-CE2 3.99Å; Y192-F236 HydrophobicContact CG-CE2 3.99Å; Y227-F236 AromaticContact CE1-CD1 3.73Å; Y227-F236 HydrophobicContact CE1-CD1 3.73Å; Y227-F236 HydrophobicContact CE1-CG 4.4Å; Y232-F236 VanDerWaalsContact O-CB 3.25Å; Y232-F236 WeakPolarHBondContact O-CB 3.25Å; Y232-F236 PolarHBondContact O-N 3.29Å; H233-F236 PolarHBondContact O-N 3.2Å; R234-F236 VanDerWaalsContact C-N 3.26Å; R234-F236 PolarHBondContact O-N 2.73Å; F236-L238 VanDerWaalsContact C-N 3.31Å; F236-L238 PolarHBondContact O-N 3.13Å; F236-A239 PolarHBondContact O-N 3.19Å; F236-V240 HydrophobicContact CD2-CG2 4.17Å; F236-V240 HydrophobicContact CE1-CG2 4.01Å; F236-V240 HydrophobicContact CE2-CG2 3.37Å; F236-V240 HydrophobicContact CZ-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.37Å; F236-V240 PolarHBondContact O-N 3.11Å
237	R	60	Low	59.8	Low	62 Å²	62	35.3 Å²	35.3	23%	0.234	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-37.6	173.4	-73.5	-169.1	-173.7	-162.5	-0.5	112.3	H233 R234 V240 N241	H233-R237 PolarHBondContact CE1-NH2 3.03Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.07Å; H233-R237 PolarHBondContact NE2-NH2 2.96Å; H233-R237 WeakPolarHBondContact O-CG 3.47Å; H233-R237 PolarHBondContact O-N 2.81Å; R234-R237 PolarHBondContact O-N 2.83Å; R237-V240 PolarHBondContact O-N 3.35Å; R237-N241 VanDerWaalsContact O-CB 3.27Å; R237-N241 WeakPolarHBondContact O-CB 3.35Å; R237-N241 PolarHBondContact O-N 2.77Å; R237-N241 PolarHBondContact O-ND2 2.86Å; R237-N241 VanDerWaalsContact O-ND2 3.15Å
238	L	59.7	Low	59.9	Low	6 Å²	6	39.5 Å²	39.5	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-51.7	174.3	179.2	73.6	0	0	0	110.8	F164 R234 L235 F236 V240 N241 Y242 Y418 T422 L437	F164-L238 HydrophobicContact CE2-CD2 4.28Å; F164-L238 HydrophobicContact CZ-CD2 4.03Å; F164-L238 HydrophobicContact CZ-CG 4.44Å; R234-L238 WeakPolarHBondContact O-CB 3.28Å; R234-L238 PolarHBondContact O-N 3.25Å; L235-L238 HydrophobicContact CD1-CD2 4.08Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 PolarHBondContact O-N 3.39Å; F236-L238 VanDerWaalsContact C-N 3.31Å; F236-L238 PolarHBondContact O-N 3.13Å; L238-V240 PolarHBondContact O-N 2.96Å; L238-N241 PolarHBondContact O-N 3.3Å; L238-Y242 VanDerWaalsContact O-CB 3.24Å; L238-Y242 WeakPolarHBondContact O-CB 3.47Å; L238-Y242 PolarHBondContact O-N 3.12Å; L238-Y418 HydrophobicContact CD1-CD2 3.61Å; L238-Y418 HydrophobicContact CD1-CE2 3.2Å; L238-Y418 HydrophobicContact CD1-CG 4.48Å; L238-T422 HydrophobicContact CD2-CG2 4.04Å; L238-L437 HydrophobicContact CD2-CD2 3.77Å
239	A	59	Low	59.4	Low	1 Å²	1	41.1 Å²	41.1	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-43	179.8	0	0	0	0	0	112.2	F164 I167 L235 F236 S243	F164-A239 HydrophobicContact CE2-CB 4.1Å; I167-A239 HydrophobicContact CG2-CB 3.69Å; L235-A239 PolarHBondContact O-N 3.17Å; F236-A239 PolarHBondContact O-N 3.19Å; A239-S243 VanDerWaalsContact O-CB 3.31Å; A239-S243 WeakPolarHBondContact O-CB 3.41Å; A239-S243 PolarHBondContact O-N 2.75Å; A239-S243 PolarHBondContact O-OG 2.91Å
240	V	57.7	Low	59.1	Low	6 Å²	6	41.4 Å²	41.4	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-51.9	175.1	174.7	0	0	0	0	111.1	L188 F236 R237 L238 Y242 S243 E244	L188-V240 HydrophobicContact CD2-CG2 4.28Å; F236-V240 HydrophobicContact CD2-CG2 4.17Å; F236-V240 HydrophobicContact CE1-CG2 4.01Å; F236-V240 HydrophobicContact CE2-CG2 3.37Å; F236-V240 HydrophobicContact CZ-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.37Å; F236-V240 PolarHBondContact O-N 3.11Å; R237-V240 PolarHBondContact O-N 3.35Å; L238-V240 PolarHBondContact O-N 2.96Å; V240-Y242 VanDerWaalsContact C-N 3.3Å; V240-Y242 PolarHBondContact O-N 2.96Å; V240-S243 PolarHBondContact O-N 3.38Å; V240-S243 VanDerWaalsContact O-N 3.13Å; V240-S243 PolarHBondContact O-OG 3.43Å; V240-E244 PolarHBondContact O-N 3.1Å
241	N	58.6	Low	58.7	Low	54 Å²	54	41 Å²	41	29%	0.289	17%	0.174	S	C	.	.	H	α-helix	trans	-58.9	-41	-179.4	-73.1	-26.5	0	0	0	112.4	R237 L238 M245	R237-N241 VanDerWaalsContact O-CB 3.27Å; R237-N241 WeakPolarHBondContact O-CB 3.35Å; R237-N241 PolarHBondContact O-N 2.77Å; R237-N241 PolarHBondContact O-ND2 2.86Å; R237-N241 VanDerWaalsContact O-ND2 3.15Å; L238-N241 PolarHBondContact O-N 3.3Å; N241-M245 PolarHBondContact O-N 3.46Å; N241-M245 VanDerWaalsContact O-N 3.15Å
242	Y	58.3	Low	58.9	Low	11 Å²	11	41 Å²	41	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-45.5	175.6	-178.9	-90.6	0	0	0	111.4	L168 L238 V240 E244 M245 L246 V424 P432	L168-Y242 HydrophobicContact CD1-CD1 4.39Å; L168-Y242 HydrophobicContact CD1-CE1 3.72Å; L168-Y242 HydrophobicContact CD2-CD1 3.38Å; L168-Y242 HydrophobicContact CD2-CE1 3.58Å; L168-Y242 HydrophobicContact CD2-CG 4.26Å; L168-Y242 HydrophobicContact CG-CD1 4.46Å; L168-Y242 HydrophobicContact CG-CE1 4.21Å; L238-Y242 VanDerWaalsContact O-CB 3.24Å; L238-Y242 WeakPolarHBondContact O-CB 3.47Å; L238-Y242 PolarHBondContact O-N 3.12Å; V240-Y242 VanDerWaalsContact C-N 3.3Å; V240-Y242 PolarHBondContact O-N 2.96Å; Y242-E244 PolarHBondContact O-N 2.89Å; Y242-M245 WeakPolarHBondContact O-CB 3.31Å; Y242-M245 PolarHBondContact O-N 2.78Å; Y242-L246 HydrophobicContact CD1-CD1 3.89Å; Y242-L246 HydrophobicContact CD1-CG 4.11Å; Y242-L246 HydrophobicContact CE1-CD1 3.47Å; Y242-L246 VanDerWaalsContact CE1-CD1 3.47Å; Y242-L246 HydrophobicContact CE1-CD2 4.4Å; Y242-L246 HydrophobicContact CE1-CG 3.94Å; Y242-L246 WeakPolarHBondContact O-CG 3.27Å; Y242-L246 PolarHBondContact O-N 3.04Å; Y242-V424 HydrophobicContact CD2-CG2 3.88Å; Y242-V424 HydrophobicContact CE2-CG1 4.22Å; Y242-V424 HydrophobicContact CE2-CG2 3.86Å; Y242-P432 HydrophobicContact CE2-CB 4.01Å; Y242-P432 HydrophobicContact CE2-CG 4.49Å; Y242-P432 WeakPolarHBondContact OH-CB 3.49Å; Y242-P432 WeakPolarHBondContact OH-CG 3.4Å
243	S	56	Low	58.6	Low	5 Å²	5	43 Å²	43	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-38.5	176.4	75.6	0	0	0	0	113.5	V171 A239 V240 M245 L246 Y247	V171-S243 WeakPolarHBondContact CG1-OG 3.3Å; A239-S243 VanDerWaalsContact O-CB 3.31Å; A239-S243 WeakPolarHBondContact O-CB 3.41Å; A239-S243 PolarHBondContact O-N 2.75Å; A239-S243 PolarHBondContact O-OG 2.91Å; V240-S243 PolarHBondContact O-N 3.38Å; V240-S243 VanDerWaalsContact O-N 3.13Å; V240-S243 PolarHBondContact O-OG 3.43Å; S243-M245 VanDerWaalsContact C-N 3.3Å; S243-M245 PolarHBondContact O-N 3.06Å; S243-L246 PolarHBondContact O-N 3.33Å; S243-Y247 VanDerWaalsContact O-CB 3.3Å; S243-Y247 WeakPolarHBondContact O-CB 3.43Å; S243-Y247 PolarHBondContact O-N 3.28Å
244	E	56.5	Low	58.4	Low	76 Å²	76	47.1 Å²	47.1	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-39.2	175	-85	-159.4	-158.5	0	0	110.8	V240 Y242 Y247 K248	V240-E244 PolarHBondContact O-N 3.1Å; Y242-E244 PolarHBondContact O-N 2.89Å; E244-Y247 PolarHBondContact O-N 2.97Å; E244-K248 VanDerWaalsContact O-CB 3.29Å; E244-K248 WeakPolarHBondContact O-CB 3.24Å; E244-K248 VanDerWaalsContact O-CD 3.3Å; E244-K248 WeakPolarHBondContact O-CD 3.37Å; E244-K248 WeakPolarHBondContact O-CG 3.37Å; E244-K248 PolarHBondContact O-N 3.03Å; E244-K248 WeakPolarHBondContact OE2-CE 3.41Å; E244-K248 IonicContact OE2-NZ 3.23Å; E244-K248 PolarHBondContact OE2-NZ 3.45Å
245	M	57.8	Low	58.4	Low	52 Å²	52	48.4 Å²	48.4	26%	0.256	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-49	173.2	-79.6	-157.8	68.4	0	0	111.9	N241 Y242 S243 Y247 K248 R249 R416 F426	N241-M245 PolarHBondContact O-N 3.46Å; N241-M245 VanDerWaalsContact O-N 3.15Å; Y242-M245 WeakPolarHBondContact O-CB 3.31Å; Y242-M245 PolarHBondContact O-N 2.78Å; S243-M245 VanDerWaalsContact C-N 3.3Å; S243-M245 PolarHBondContact O-N 3.06Å; M245-Y247 PolarHBondContact O-N 3.41Å; M245-K248 PolarHBondContact O-N 3.26Å; M245-R249 WeakPolarHBondContact O-CB 3.46Å; M245-R249 PolarHBondContact O-N 3.46Å; M245-R416 PolarHBondContact SD-NH1 3.35Å; M245-R416 PolarHBondContact SD-NH2 2.8Å; M245-F426 HydrophobicContact SD-CZ 4.42Å
246	L	54.9	Low	58.4	Low	11 Å²	11	50.9 Å²	50.9	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-55.7	-41.6	175.3	-69.1	-170.6	0	0	0	111.8	Y242 S243 R249 Y250 P432 T503 V504	Y242-L246 HydrophobicContact CD1-CD1 3.89Å; Y242-L246 HydrophobicContact CD1-CG 4.11Å; Y242-L246 HydrophobicContact CE1-CD1 3.47Å; Y242-L246 VanDerWaalsContact CE1-CD1 3.47Å; Y242-L246 HydrophobicContact CE1-CD2 4.4Å; Y242-L246 HydrophobicContact CE1-CG 3.94Å; Y242-L246 WeakPolarHBondContact O-CG 3.27Å; Y242-L246 PolarHBondContact O-N 3.04Å; S243-L246 PolarHBondContact O-N 3.33Å; L246-R249 PolarHBondContact O-N 2.94Å; L246-Y250 WeakPolarHBondContact O-CB 3.48Å; L246-Y250 PolarHBondContact O-N 3.26Å; L246-P432 HydrophobicContact CD2-CG 4.1Å; L246-T503 HydrophobicContact CB-CG2 3.83Å; L246-T503 HydrophobicContact CD2-CG2 4.38Å; L246-T503 VanDerWaalsContact O-CG2 3.32Å; L246-T503 WeakPolarHBondContact O-CG2 3.21Å; L246-V504 HydrophobicContact CD1-CG2 3.53Å; L246-V504 HydrophobicContact CD2-CG2 4.06Å; L246-V504 HydrophobicContact CG-CG2 4.47Å
247	Y	55.1	Low	58.3	Low	34 Å²	34	54.8 Å²	54.8	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-73.4	-43.7	-178.7	-175.8	-112.7	0	0	0	113.6	C175 N179 S243 E244 M245 R249 Y250 R251	C175-Y247 VanDerWaalsContact C-CE2 3.5Å; C175-Y247 HydrophobicContact CB-CD1 4.44Å; C175-Y247 HydrophobicContact CB-CD2 3.66Å; C175-Y247 HydrophobicContact CB-CE2 4.22Å; C175-Y247 HydrophobicContact CB-CG 3.76Å; C175-Y247 WeakPolarHBondContact O-CE2 3.36Å; C175-Y247 VanDerWaalsContact O-CZ 3.24Å; C175-Y247 PolarHBondContact O-OH 2.83Å; N179-Y247 PolarHBondContact OD1-OH 3.36Å; S243-Y247 VanDerWaalsContact O-CB 3.3Å; S243-Y247 WeakPolarHBondContact O-CB 3.43Å; S243-Y247 PolarHBondContact O-N 3.28Å; E244-Y247 PolarHBondContact O-N 2.97Å; M245-Y247 PolarHBondContact O-N 3.41Å; Y247-R249 PolarHBondContact O-N 2.87Å; Y247-Y250 PolarHBondContact O-N 3.14Å; Y247-R251 HydrophobicContact CE1-CG 4.27Å; Y247-R251 HydrophobicContact CE2-CG 4.41Å; Y247-R251 PolarHBondContact O-N 3.11Å; Y247-R251 VanDerWaalsContact OH-CZ 3.3Å; Y247-R251 PolarHBondContact OH-NE 3.15Å; Y247-R251 PolarHBondContact OH-NH2 3.32Å
248	K	59.9	Low	58.3	Low	121 Å²	121	55.3 Å²	55.3	53%	0.526	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-42.7	172.2	-73.5	162.1	-167.7	167.8	0	110	E244 M245 R251 Q252	E244-K248 VanDerWaalsContact O-CB 3.29Å; E244-K248 WeakPolarHBondContact O-CB 3.24Å; E244-K248 VanDerWaalsContact O-CD 3.3Å; E244-K248 WeakPolarHBondContact O-CD 3.37Å; E244-K248 WeakPolarHBondContact O-CG 3.37Å; E244-K248 PolarHBondContact O-N 3.03Å; E244-K248 WeakPolarHBondContact OE2-CE 3.41Å; E244-K248 IonicContact OE2-NZ 3.23Å; E244-K248 PolarHBondContact OE2-NZ 3.45Å; M245-K248 PolarHBondContact O-N 3.26Å; K248-R251 PolarHBondContact O-N 3.06Å; K248-Q252 WeakPolarHBondContact O-CB 3.37Å; K248-Q252 PolarHBondContact O-N 2.88Å
249	R	57	Low	58.6	Low	48 Å²	48	61.4 Å²	61.4	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-44.2	177.9	-173.6	167.9	179.7	72.5	14.6	113.3	M245 L246 Y247 Q252 Q253 E412 T429 G430 N431	M245-R249 WeakPolarHBondContact O-CB 3.46Å; M245-R249 PolarHBondContact O-N 3.46Å; L246-R249 PolarHBondContact O-N 2.94Å; Y247-R249 PolarHBondContact O-N 2.87Å; R249-Q252 PolarHBondContact O-N 2.8Å; R249-Q253 WeakPolarHBondContact O-CB 3.35Å; R249-Q253 WeakPolarHBondContact O-CG 3.16Å; R249-Q253 PolarHBondContact O-N 2.94Å; R249-E412 IonicContact NH1-OE2 2.66Å; R249-T429 PolarHBondContact NH1-O 2.9Å; R249-T429 VanDerWaalsContact NH2-C 3.3Å; R249-T429 PolarHBondContact NH2-O 3.2Å; R249-G430 WeakPolarHBondContact CD-O 3.25Å; R249-G430 VanDerWaalsContact NE-C 3.32Å; R249-G430 PolarHBondContact NE-O 2.92Å; R249-N431 VanDerWaalsContact CZ-OD1 3.26Å; R249-N431 PolarHBondContact NE-OD1 2.81Å; R249-N431 PolarHBondContact NH2-OD1 2.87Å
250	Y	56.3	Low	58.9	Low	36 Å²	36	66.1 Å²	66.1	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46	172.5	175.2	-98	0	0	0	111.8	L246 Y247 Q252 R254 V500	L246-Y250 WeakPolarHBondContact O-CB 3.48Å; L246-Y250 PolarHBondContact O-N 3.26Å; Y247-Y250 PolarHBondContact O-N 3.14Å; Y250-Q252 VanDerWaalsContact C-N 3.29Å; Y250-Q252 PolarHBondContact O-N 2.78Å; Y250-R254 VanDerWaalsContact O-CB 3.31Å; Y250-R254 WeakPolarHBondContact O-CB 3.23Å; Y250-R254 PolarHBondContact O-N 2.77Å; Y250-R254 PolarHBondContact OH-NH1 3.18Å; Y250-V500 HydrophobicContact CE2-CG1 4.47Å
251	R	58.6	Low	59.4	Low	105 Å²	105	71.6 Å²	71.6	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-40	174.5	-81.8	-172.9	167.8	-163.7	-0.7	111.9	N179 Y247 K248 R255	N179-R251 PolarHBondContact OD1-NH2 3.15Å; Y247-R251 HydrophobicContact CE1-CG 4.27Å; Y247-R251 HydrophobicContact CE2-CG 4.41Å; Y247-R251 PolarHBondContact O-N 3.11Å; Y247-R251 VanDerWaalsContact OH-CZ 3.3Å; Y247-R251 PolarHBondContact OH-NE 3.15Å; Y247-R251 PolarHBondContact OH-NH2 3.32Å; K248-R251 PolarHBondContact O-N 3.06Å; R251-R255 WeakPolarHBondContact O-CG 3.31Å; R251-R255 PolarHBondContact O-N 2.77Å; R251-R255 VanDerWaalsContact O-N 3.11Å
252	Q	62.1	Low	59.8	Low	75 Å²	75	70.5 Å²	70.5	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-69.3	-52.3	179.2	-170.5	51.5	38.7	0	0	111.7	K248 R249 Y250 R254 R255 D256	K248-Q252 WeakPolarHBondContact O-CB 3.37Å; K248-Q252 PolarHBondContact O-N 2.88Å; R249-Q252 PolarHBondContact O-N 2.8Å; Y250-Q252 VanDerWaalsContact C-N 3.29Å; Y250-Q252 PolarHBondContact O-N 2.78Å; Q252-R254 PolarHBondContact O-N 2.9Å; Q252-R254 VanDerWaalsContact O-N 3.16Å; Q252-R255 WeakPolarHBondContact O-CA 3.41Å; Q252-R255 WeakPolarHBondContact O-CB 3.47Å; Q252-R255 PolarHBondContact O-N 2.73Å; Q252-D256 WeakPolarHBondContact CG-OD2 3.39Å; Q252-D256 PolarHBondContact NE2-OD1 3.25Å; Q252-D256 PolarHBondContact NE2-OD2 2.87Å; Q252-D256 PolarHBondContact O-N 3.43Å; Q252-D256 VanDerWaalsContact O-OD2 3.11Å
253	Q	56.3	Low	60.3	Low	50 Å²	50	74.1 Å²	74.1	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-54	-37.7	174.8	-71.7	170.7	-18.4	0	0	112.5	R249 D256 H257 N431	R249-Q253 WeakPolarHBondContact O-CB 3.35Å; R249-Q253 WeakPolarHBondContact O-CG 3.16Å; R249-Q253 PolarHBondContact O-N 2.94Å; Q253-D256 PolarHBondContact O-N 2.84Å; Q253-H257 WeakPolarHBondContact O-CB 3.38Å; Q253-H257 PolarHBondContact O-N 2.79Å; Q253-N431 PolarHBondContact NE2-OD1 3.22Å
254	R	59.7	Low	60.9	Low	108 Å²	108	77.5 Å²	77.5	41%	0.408	35%	0.345	S	S	.	.	H	α-helix	trans	-70.3	-33.5	175.8	-170.6	169.9	-179.4	142.8	1.9	113.4	Y250 Q252 N258	Y250-R254 VanDerWaalsContact O-CB 3.31Å; Y250-R254 WeakPolarHBondContact O-CB 3.23Å; Y250-R254 PolarHBondContact O-N 2.77Å; Y250-R254 PolarHBondContact OH-NH1 3.18Å; Q252-R254 PolarHBondContact O-N 2.9Å; Q252-R254 VanDerWaalsContact O-N 3.16Å; R254-N258 WeakPolarHBondContact O-CB 3.41Å; R254-N258 VanDerWaalsContact O-CG 3.27Å; R254-N258 PolarHBondContact O-N 3.43Å; R254-N258 PolarHBondContact O-OD1 3.2Å
255	R	60.2	Low	61.5	Low	135 Å²	135	78.6 Å²	78.6	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-67.3	-43.5	170.6	-73.2	165	169.9	172.8	-7	111.3	R251 Q252 N258 R259	R251-R255 WeakPolarHBondContact O-CG 3.31Å; R251-R255 PolarHBondContact O-N 2.77Å; R251-R255 VanDerWaalsContact O-N 3.11Å; Q252-R255 WeakPolarHBondContact O-CA 3.41Å; Q252-R255 WeakPolarHBondContact O-CB 3.47Å; Q252-R255 PolarHBondContact O-N 2.73Å; R255-N258 PolarHBondContact O-N 3.01Å; R255-R259 WeakPolarHBondContact O-CB 3.37Å; R255-R259 WeakPolarHBondContact O-CG 3.08Å; R255-R259 PolarHBondContact O-N 2.87Å
256	D	62.5	Low	62.1	Low	65 Å²	65	79 Å²	79	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-70	-37.3	-177.2	-60.4	-36.3	0	0	0	111	Q252 Q253 R259 Q260	Q252-D256 WeakPolarHBondContact CG-OD2 3.39Å; Q252-D256 PolarHBondContact NE2-OD1 3.25Å; Q252-D256 PolarHBondContact NE2-OD2 2.87Å; Q252-D256 PolarHBondContact O-N 3.43Å; Q252-D256 VanDerWaalsContact O-OD2 3.11Å; Q253-D256 PolarHBondContact O-N 2.84Å; D256-R259 PolarHBondContact O-N 2.81Å; D256-Q260 WeakPolarHBondContact O-CB 3.42Å; D256-Q260 PolarHBondContact O-N 3.1Å
257	H	58.5	Low	62.5	Low	89 Å²	89	84.4 Å²	84.4	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-43.9	167.8	179	69.8	0	0	0	112.7	Q253 R259 Q260 K261	Q253-H257 WeakPolarHBondContact O-CB 3.38Å; Q253-H257 PolarHBondContact O-N 2.79Å; H257-R259 VanDerWaalsContact C-N 3.32Å; H257-R259 PolarHBondContact O-N 3.14Å; H257-Q260 PolarHBondContact O-N 2.65Å; H257-K261 VanDerWaalsContact O-CB 3.31Å; H257-K261 WeakPolarHBondContact O-CB 3.4Å; H257-K261 PolarHBondContact O-N 2.85Å
258	N	59.8	Low	62.6	Low	74 Å²	74	85.8 Å²	85.8	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-38	175.4	-80.6	9.6	0	0	0	112.1	R254 R255 L262	R254-N258 WeakPolarHBondContact O-CB 3.41Å; R254-N258 VanDerWaalsContact O-CG 3.27Å; R254-N258 PolarHBondContact O-N 3.43Å; R254-N258 PolarHBondContact O-OD1 3.2Å; R255-N258 PolarHBondContact O-N 3.01Å; N258-L262 WeakPolarHBondContact O-CB 3.28Å; N258-L262 PolarHBondContact O-N 3.47Å; N258-L262 VanDerWaalsContact O-N 3.08Å
259	R	65.7	Low	62.3	Low	133 Å²	133	83 Å²	83	50%	0.502	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-49.8	173.9	-79.9	176.9	157.7	-171.2	-10.2	111.6	R255 D256 H257 K261 L262 N263 L289	R255-R259 WeakPolarHBondContact O-CB 3.37Å; R255-R259 WeakPolarHBondContact O-CG 3.08Å; R255-R259 PolarHBondContact O-N 2.87Å; D256-R259 PolarHBondContact O-N 2.81Å; H257-R259 VanDerWaalsContact C-N 3.32Å; H257-R259 PolarHBondContact O-N 3.14Å; R259-K261 VanDerWaalsContact C-N 3.34Å; R259-K261 PolarHBondContact O-N 3.22Å; R259-L262 WeakPolarHBondContact O-CA 3.44Å; R259-L262 WeakPolarHBondContact O-CB 3.36Å; R259-L262 PolarHBondContact O-N 3.18Å; R259-N263 PolarHBondContact O-N 3.34Å; R259-N263 PolarHBondContact O-OD1 3.18Å; R259-L289 HydrophobicContact CG-CD1 3.76Å
260	Q	65.6	Low	62.1	Low	100 Å²	100	84.5 Å²	84.5	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-62.1	-43.9	180	-171.3	158.6	19	0	0	111.1	D256 H257 L262 N263 D264	D256-Q260 WeakPolarHBondContact O-CB 3.42Å; D256-Q260 PolarHBondContact O-N 3.1Å; H257-Q260 PolarHBondContact O-N 2.65Å; Q260-L262 PolarHBondContact O-N 3.16Å; Q260-N263 WeakPolarHBondContact O-CB 3.38Å; Q260-N263 PolarHBondContact O-N 2.74Å; Q260-N263 VanDerWaalsContact O-N 3.07Å; Q260-D264 PolarHBondContact O-N 2.83Å
261	K	67.1	Low	61.8	Low	121 Å²	121	90.3 Å²	90.3	53%	0.526	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-28.2	174	-172.8	171.6	-177	174	0	113.9	H257 R259 L265	H257-K261 VanDerWaalsContact O-CB 3.31Å; H257-K261 WeakPolarHBondContact O-CB 3.4Å; H257-K261 PolarHBondContact O-N 2.85Å; R259-K261 VanDerWaalsContact C-N 3.34Å; R259-K261 PolarHBondContact O-N 3.22Å; K261-L265 WeakPolarHBondContact O-CD1 3.44Å; K261-L265 VanDerWaalsContact O-CG 3.26Å; K261-L265 WeakPolarHBondContact O-CG 3.43Å; K261-L265 PolarHBondContact O-N 3.42Å
262	L	67.7	Low	61.2	Low	31 Å²	31	91.4 Å²	91.4	16%	0.162	44%	0.443	C	S	.	.	H	α-helix	trans	-74.5	-41.2	172.8	-179.3	63.6	0	0	0	111.1	N258 R259 Q260 L265 I266 E285 L288	N258-L262 WeakPolarHBondContact O-CB 3.28Å; N258-L262 PolarHBondContact O-N 3.47Å; N258-L262 VanDerWaalsContact O-N 3.08Å; R259-L262 WeakPolarHBondContact O-CA 3.44Å; R259-L262 WeakPolarHBondContact O-CB 3.36Å; R259-L262 PolarHBondContact O-N 3.18Å; Q260-L262 PolarHBondContact O-N 3.16Å; L262-L265 PolarHBondContact O-N 3.08Å; L262-I266 HydrophobicContact CD1-CD1 4.34Å; L262-I266 HydrophobicContact CG-CD1 4.05Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 3.22Å; L262-E285 HydrophobicContact CD2-CG 4.35Å; L262-L288 HydrophobicContact CD1-CD1 4.37Å
263	N	68.7	Low	60.1	Low	87 Å²	87	96 Å²	96	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-48.1	173.5	-65.8	10.6	0	0	0	111.4	R259 Q260 L265 I266 E267	R259-N263 PolarHBondContact O-N 3.34Å; R259-N263 PolarHBondContact O-OD1 3.18Å; Q260-N263 WeakPolarHBondContact O-CB 3.38Å; Q260-N263 PolarHBondContact O-N 2.74Å; Q260-N263 VanDerWaalsContact O-N 3.07Å; N263-L265 PolarHBondContact O-N 3Å; N263-I266 CarbonylContact O-C 3.56Å; N263-I266 WeakPolarHBondContact O-CA 3.15Å; N263-I266 WeakPolarHBondContact O-CB 3.39Å; N263-I266 PolarHBondContact O-N 2.81Å; N263-E267 PolarHBondContact O-N 3.45Å
264	D	68.5	Low	59.2	Low	77 Å²	77	102 Å²	102	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-53.9	-39.4	176.4	-57.7	-21.8	0	0	0	111	Q260 D268	Q260-D264 PolarHBondContact O-N 2.83Å; D264-D268 WeakPolarHBondContact O-CB 3.24Å; D264-D268 PolarHBondContact O-N 2.88Å
265	L	69.4	Low	58	Low	99 Å²	99	101.2 Å²	101.2	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-73.2	-29.2	176	-76.6	168.1	0	0	0	113.5	K261 L262 N263 T269	K261-L265 WeakPolarHBondContact O-CD1 3.44Å; K261-L265 VanDerWaalsContact O-CG 3.26Å; K261-L265 WeakPolarHBondContact O-CG 3.43Å; K261-L265 PolarHBondContact O-N 3.42Å; L262-L265 PolarHBondContact O-N 3.08Å; N263-L265 PolarHBondContact O-N 3Å; L265-T269 WeakPolarHBondContact O-CB 3.25Å; L265-T269 VanDerWaalsContact O-CG2 3.27Å; L265-T269 WeakPolarHBondContact O-CG2 3.45Å; L265-T269 PolarHBondContact O-N 3.36Å; L265-T269 VanDerWaalsContact O-N 3.15Å; L265-T269 PolarHBondContact O-OG1 2.92Å
266	I	70.3	Confident	56.9	Low	59 Å²	59	103.3 Å²	103.3	30%	0.303	52%	0.516	S	S	.	.	H	α-helix	trans	-75.8	-37.9	175.2	-70.4	163.9	0	0	0	110.1	L262 N263 T269 S270	L262-I266 HydrophobicContact CD1-CD1 4.34Å; L262-I266 HydrophobicContact CG-CD1 4.05Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 3.22Å; N263-I266 CarbonylContact O-C 3.56Å; N263-I266 WeakPolarHBondContact O-CA 3.15Å; N263-I266 WeakPolarHBondContact O-CB 3.39Å; N263-I266 PolarHBondContact O-N 2.81Å; I266-T269 PolarHBondContact O-N 3.16Å; I266-T269 PolarHBondContact O-OG1 3.34Å; I266-S270 VanDerWaalsContact O-CB 3.3Å; I266-S270 WeakPolarHBondContact O-CB 3.21Å; I266-S270 PolarHBondContact O-N 3.48Å; I266-S270 PolarHBondContact O-OG 3.07Å
267	E	64	Low	55.6	Low	126 Å²	126	105.1 Å²	105.1	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-55.9	172.5	-70	178.2	-170.3	0	0	110.5	N263 T269 S270 E271	N263-E267 PolarHBondContact O-N 3.45Å; E267-T269 PolarHBondContact O-N 2.86Å; E267-S270 PolarHBondContact O-N 2.89Å; E267-S270 VanDerWaalsContact O-N 3.08Å; E267-S270 PolarHBondContact O-OG 2.71Å; E267-E271 PolarHBondContact O-N 3.24Å; E267-E271 VanDerWaalsContact O-N 3.11Å
268	D	57.7	Low	54.2	Low	63 Å²	63	104.6 Å²	104.6	34%	0.337	55%	0.552	S	S	.	*	H	α-helix	trans	-59.8	-20.8	177.1	-94.8	-22.2	0	0	0	113.6	D264 N272 K468	D264-D268 WeakPolarHBondContact O-CB 3.24Å; D264-D268 PolarHBondContact O-N 2.88Å; D268-N272 PolarHBondContact O-ND2 2.99Å; D268-K468 IonicContact OD1-NZ 2.73Å; D268-K468 PolarHBondContact OD1-NZ 3.11Å; D268-K468 IonicContact OD2-NZ 3.07Å; D268-K468 PolarHBondContact OD2-NZ 3.39Å
269	T	52.8	Low	53.1	Low	63 Å²	63	107.3 Å²	107.3	39%	0.387	57%	0.572	S	S	.	*	H	α-helix	trans	-97.2	-18.2	175	55.1	0	0	0	0	115.2	L265 I266 E267 R273	L265-T269 WeakPolarHBondContact O-CB 3.25Å; L265-T269 VanDerWaalsContact O-CG2 3.27Å; L265-T269 WeakPolarHBondContact O-CG2 3.45Å; L265-T269 PolarHBondContact O-N 3.36Å; L265-T269 VanDerWaalsContact O-N 3.15Å; L265-T269 PolarHBondContact O-OG1 2.92Å; I266-T269 PolarHBondContact O-N 3.16Å; I266-T269 PolarHBondContact O-OG1 3.34Å; E267-T269 PolarHBondContact O-N 2.86Å; T269-R273 WeakPolarHBondContact O-CB 3.5Å; T269-R273 WeakPolarHBondContact O-CD 3.38Å; T269-R273 WeakPolarHBondContact O-CG 3.48Å
270	S	53.6	Low	52	Low	79 Å²	79	110 Å²	110	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-82.4	-38.6	173.7	53.4	0	0	0	0	111.7	I266 E267 N272 R273	I266-S270 VanDerWaalsContact O-CB 3.3Å; I266-S270 WeakPolarHBondContact O-CB 3.21Å; I266-S270 PolarHBondContact O-N 3.48Å; I266-S270 PolarHBondContact O-OG 3.07Å; E267-S270 PolarHBondContact O-N 2.89Å; E267-S270 VanDerWaalsContact O-N 3.08Å; E267-S270 PolarHBondContact O-OG 2.71Å; S270-N272 PolarHBondContact O-N 2.94Å; S270-R273 PolarHBondContact O-N 2.83Å
271	E	50.1	Low	50.8	Low	158 Å²	158	110.1 Å²	110.1	74%	0.738	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-28.8	171.1	-68.2	-163	147.7	0	0	112.6	E267	E267-E271 PolarHBondContact O-N 3.24Å; E267-E271 VanDerWaalsContact O-N 3.11Å
272	N	45.9	Very low	49.5	Very low	128 Å²	128	109.8 Å²	109.8	68%	0.684	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	11	-175.8	-76.6	-73.2	0	0	0	114.9	D268 S270	D268-N272 PolarHBondContact O-ND2 2.99Å; S270-N272 PolarHBondContact O-N 2.94Å
273	R	38.5	Very low	48	Very low	171 Å²	171	110.6 Å²	110.6	65%	0.645	61%	0.614	S	S	*	*			trans	-128.3	57	-174.8	-75.2	-175.9	175.4	-129.9	0.1	115.5	T269 S270 S275	T269-R273 WeakPolarHBondContact O-CB 3.5Å; T269-R273 WeakPolarHBondContact O-CD 3.38Å; T269-R273 WeakPolarHBondContact O-CG 3.48Å; S270-R273 PolarHBondContact O-N 2.83Å; R273-S275 PolarHBondContact O-N 3.35Å
274	L	37.3	Very low	46.5	Very low	176 Å²	176	111.3 Å²	111.3	92%	0.921	62%	0.617	S	S	*	*			trans	-77.5	42.7	159.3	-84.8	164.1	0	0	0	112.7
275	S	33.5	Very low	45	Very low	92 Å²	92	111.6 Å²	111.6	64%	0.643	62%	0.616	S	S	*	*	S	Bend	trans	-161.6	134.6	170.7	-46.3	0	0	0	0	112.6	R273	R273-S275 PolarHBondContact O-N 3.35Å
276	E	36.9	Very low	43.5	Very low	178 Å²	178	111.2 Å²	111.2	83%	0.832	62%	0.618	S	S	*	*	S	Bend	trans	54	116	152	-59	-173.6	157.4	0	0	121.6
277	S	35.8	Very low	42	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	63%	0.626	S	S	*	*			trans	64.8	89.1	154	67.9	0	0	0	0	118.9
278	G	29.9	Very low	40.9	Very low	77 Å²	77	112.1 Å²	112.1	79%	0.794	62%	0.624	S	S	*	*			trans	-88.6	101.8	168.1	0	0	0	0	0	113
279	T	36.7	Very low	40	Very low	131 Å²	131	112.4 Å²	112.4	80%	0.804	63%	0.625	S	S	*	*			trans	-154.3	23.2	172.4	-22.6	0	0	0	0	115.1
280	K	41.4	Very low	39.4	Very low	190 Å²	190	115.1 Å²	115.1	83%	0.826	64%	0.637	S	S	*	*	S	Bend	trans	-132.4	6.4	-174	-76.7	-171.4	177.1	176.9	0	117.2
281	I	40.4	Very low	38.5	Very low	103 Å²	103	116.7 Å²	116.7	53%	0.528	63%	0.634	S	S	.	*	S	Bend	trans	-85.6	-44.4	-170.6	-61.4	176.6	0	0	0	112.5	G283 L284	I281-G283 PolarHBondContact O-N 2.99Å; I281-G283 VanDerWaalsContact O-N 3.08Å; I281-L284 PolarHBondContact O-N 3.31Å; I281-L284 VanDerWaalsContact O-N 3.15Å
282	V	41.1	Very low	37.6	Very low	113 Å²	113	111.8 Å²	111.8	69%	0.685	62%	0.616	S	S	*	*	H	α-helix	trans	-60.4	-25.3	-171.6	-173.1	0	0	0	0	114.5
283	G	35.5	Very low	37	Very low	49 Å²	49	109.3 Å²	109.3	51%	0.505	61%	0.605	S	S	.	*	H	α-helix	trans	-75.2	-21.7	179.9	0	0	0	0	0	115.1	I281 T286	I281-G283 PolarHBondContact O-N 2.99Å; I281-G283 VanDerWaalsContact O-N 3.08Å; G283-T286 PolarHBondContact O-OG1 2.98Å
284	L	36.7	Very low	36.7	Very low	102 Å²	102	103.2 Å²	103.2	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-82.1	-32.8	-177.4	-85.3	155.4	0	0	0	112.6	I281 T286 E287 L288	I281-L284 PolarHBondContact O-N 3.31Å; I281-L284 VanDerWaalsContact O-N 3.15Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.82Å; L284-E287 PolarHBondContact O-N 3.19Å; L284-L288 HydrophobicContact CD2-CD1 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.94Å; L284-L288 VanDerWaalsContact O-N 3.13Å
285	E	37.1	Very low	36.6	Very low	83 Å²	83	101 Å²	101	39%	0.388	57%	0.574	S	S	.	*	H	α-helix	trans	-62.4	-40.1	-178	-51.6	-174.9	131.1	0	0	111.6	L262 L289	L262-E285 HydrophobicContact CD2-CG 4.35Å; E285-L289 WeakPolarHBondContact O-CB 3.49Å; E285-L289 PolarHBondContact O-N 3.25Å
286	T	39.5	Very low	36.6	Very low	90 Å²	90	100.7 Å²	100.7	55%	0.552	57%	0.568	S	S	*	*	H	α-helix	trans	-77.7	-30.9	-177.6	41.5	0	0	0	0	113.7	G283 L284 N290	G283-T286 PolarHBondContact O-OG1 2.98Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.82Å; T286-N290 PolarHBondContact O-ND2 3.3Å
287	E	37.5	Very low	36.3	Very low	103 Å²	103	97.8 Å²	97.8	48%	0.481	56%	0.557	S	S	.	*	H	α-helix	trans	-75.5	-40.3	174.5	-72.2	-139.9	126.3	0	0	113	L284 K291	L284-E287 PolarHBondContact O-N 3.19Å; E287-K291 VanDerWaalsContact O-CG 3.32Å; E287-K291 WeakPolarHBondContact O-CG 3.22Å; E287-K291 PolarHBondContact O-N 3.04Å; E287-K291 VanDerWaalsContact OE1-CE 3.29Å; E287-K291 WeakPolarHBondContact OE1-CE 3.18Å; E287-K291 IonicContact OE1-NZ 2.77Å; E287-K291 PolarHBondContact OE1-NZ 3.49Å; E287-K291 IonicContact OE2-NZ 2.7Å; E287-K291 PolarHBondContact OE2-NZ 3.33Å
288	L	41.2	Very low	36.2	Very low	101 Å²	101	99.6 Å²	99.6	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-77.9	-26.6	-174.2	-74.3	168.1	0	0	0	113.7	L262 L284	L262-L288 HydrophobicContact CD1-CD1 4.37Å; L284-L288 HydrophobicContact CD2-CD1 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 PolarHBondContact O-N 2.94Å; L284-L288 VanDerWaalsContact O-N 3.13Å
289	L	38.9	Very low	36.3	Very low	69 Å²	69	96.9 Å²	96.9	36%	0.361	53%	0.525	S	S	.	.	H	α-helix	trans	-81.8	-23.4	-179.6	-144.8	75.6	0	0	0	113.6	R259 E285	R259-L289 HydrophobicContact CG-CD1 3.76Å; E285-L289 WeakPolarHBondContact O-CB 3.49Å; E285-L289 PolarHBondContact O-N 3.25Å
290	N	41.1	Very low	36.2	Very low	120 Å²	120	94 Å²	94	64%	0.642	51%	0.507	S	S	*	.	H	α-helix	trans	-114.9	-17.6	-165.7	-66.2	-51.5	0	0	0	115.8	T286	T286-N290 PolarHBondContact O-ND2 3.3Å
291	K	32.9	Very low	35.9	Very low	112 Å²	112	90.5 Å²	90.5	49%	0.487	50%	0.496	S	S	.	.			trans	-73.1	124.7	-176.6	-78.6	176	-179.8	178	0	112.7	E287	E287-K291 VanDerWaalsContact O-CG 3.32Å; E287-K291 WeakPolarHBondContact O-CG 3.22Å; E287-K291 PolarHBondContact O-N 3.04Å; E287-K291 VanDerWaalsContact OE1-CE 3.29Å; E287-K291 WeakPolarHBondContact OE1-CE 3.18Å; E287-K291 IonicContact OE1-NZ 2.77Å; E287-K291 PolarHBondContact OE1-NZ 3.49Å; E287-K291 IonicContact OE2-NZ 2.7Å; E287-K291 PolarHBondContact OE2-NZ 3.33Å
292	P	31.2	Very low	35.8	Very low	56 Å²	56	91.5 Å²	91.5	36%	0.364	50%	0.498	S	S	.	.			trans	-73.4	135.8	174.4	30.3	-33.5	0	0	0	111.2	S294 E295	P292-S294 PolarHBondContact O-N 3.37Å; P292-E295 HydrophobicContact CG-CG 4.23Å; P292-E295 PolarHBondContact O-N 2.95Å
293	V	34.6	Very low	35.5	Very low	75 Å²	75	93.2 Å²	93.2	46%	0.455	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.1	-172.5	-179.5	0	0	0	0	114
294	S	31.3	Very low	35.5	Very low	43 Å²	43	98.2 Å²	98.2	30%	0.301	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.3	-178.8	39.3	0	0	0	0	115.3	P292	P292-S294 PolarHBondContact O-N 3.37Å
295	E	35.3	Very low	35.5	Very low	130 Å²	130	100 Å²	100	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-87.4	-27.9	-174.5	-66.8	-179.9	154.5	0	0	112.6	P292 L297 G299	P292-E295 HydrophobicContact CG-CG 4.23Å; P292-E295 PolarHBondContact O-N 2.95Å; E295-L297 VanDerWaalsContact C-N 3.31Å; E295-L297 PolarHBondContact O-N 3.16Å; E295-G299 PolarHBondContact O-N 3.39Å
296	T	33.4	Very low	35.5	Very low	85 Å²	85	103.6 Å²	103.6	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-79.4	-6.7	-177.3	-13.8	0	0	0	0	114.4	T300	T296-T300 WeakPolarHBondContact O-CB 3.48Å; T296-T300 PolarHBondContact O-OG1 2.85Å
297	L	30.7	Very low	35.1	Very low	117 Å²	117	107.9 Å²	107.9	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-101.7	-47.1	168.3	-87.5	87.4	0	0	0	112.5	E295 T300 I301	E295-L297 VanDerWaalsContact C-N 3.31Å; E295-L297 PolarHBondContact O-N 3.16Å; L297-T300 PolarHBondContact O-N 3.49Å; L297-T300 VanDerWaalsContact O-N 3.17Å; L297-I301 WeakPolarHBondContact O-CG1 3.17Å; L297-I301 PolarHBondContact O-N 3.32Å
298	K	33.1	Very low	34.7	Very low	142 Å²	142	113.1 Å²	113.1	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-58.6	-55.2	176.3	-69	-168.6	173.8	-168.6	0	111	T300 I301 E302	K298-T300 PolarHBondContact O-N 3.33Å; K298-I301 PolarHBondContact O-N 3.08Å; K298-E302 WeakPolarHBondContact O-CB 3.11Å; K298-E302 WeakPolarHBondContact O-CG 3.41Å; K298-E302 PolarHBondContact O-N 2.98Å
299	G	33	Very low	34.3	Very low	21 Å²	21	114.4 Å²	114.4	22%	0.216	57%	0.573	C	S	.	*	H	α-helix	trans	-70.1	8.4	176.9	0	0	0	0	0	116	E295 K303	E295-G299 PolarHBondContact O-N 3.39Å; G299-K303 WeakPolarHBondContact O-CB 3.29Å; G299-K303 WeakPolarHBondContact O-CD 3.12Å; G299-K303 WeakPolarHBondContact O-CG 3.37Å
300	T	34.8	Very low	34.1	Very low	70 Å²	70	118.3 Å²	118.3	43%	0.429	59%	0.594	S	S	.	*	H	α-helix	trans	-116.5	-29.6	172.9	-54.8	0	0	0	0	111.8	T296 L297 K298 Q304	T296-T300 WeakPolarHBondContact O-CB 3.48Å; T296-T300 PolarHBondContact O-OG1 2.85Å; L297-T300 PolarHBondContact O-N 3.49Å; L297-T300 VanDerWaalsContact O-N 3.17Å; K298-T300 PolarHBondContact O-N 3.33Å; T300-Q304 WeakPolarHBondContact O-CG 3.3Å
301	I	35.4	Very low	33.4	Very low	116 Å²	116	119.8 Å²	119.8	60%	0.595	60%	0.601	S	S	*	*	H	α-helix	trans	-72.2	-50.4	167.5	-66.2	168.2	0	0	0	108.9	L297 K298 K303 Q304	L297-I301 WeakPolarHBondContact O-CG1 3.17Å; L297-I301 PolarHBondContact O-N 3.32Å; K298-I301 PolarHBondContact O-N 3.08Å; I301-K303 PolarHBondContact O-N 3.32Å; I301-Q304 PolarHBondContact O-N 3.19Å; I301-Q304 VanDerWaalsContact O-N 3.16Å
302	E	36.6	Very low	33.2	Very low	124 Å²	124	121 Å²	121	58%	0.579	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-20.1	179.3	-65.9	162.9	172	0	0	113.2	K298	K298-E302 WeakPolarHBondContact O-CB 3.11Å; K298-E302 WeakPolarHBondContact O-CG 3.41Å; K298-E302 PolarHBondContact O-N 2.98Å
303	K	36.7	Very low	33.2	Very low	150 Å²	150	124.6 Å²	124.6	65%	0.652	63%	0.63	S	S	*	*	H	α-helix	trans	-95.3	0.6	177.2	-69.2	-172	-168	172.8	0	115	G299 I301	G299-K303 WeakPolarHBondContact O-CB 3.29Å; G299-K303 WeakPolarHBondContact O-CD 3.12Å; G299-K303 WeakPolarHBondContact O-CG 3.37Å; I301-K303 PolarHBondContact O-N 3.32Å
304	Q	35.4	Very low	33.1	Very low	154 Å²	154	128 Å²	128	72%	0.72	64%	0.64	S	S	*	*	H	α-helix	trans	-86.4	-32.7	169.3	-77	-174.7	-10.5	0	0	112	T300 I301	T300-Q304 WeakPolarHBondContact O-CG 3.3Å; I301-Q304 PolarHBondContact O-N 3.19Å; I301-Q304 VanDerWaalsContact O-N 3.16Å
305	D	35.5	Very low	33	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	66%	0.657	S	S	*	*	H	α-helix	trans	-78.5	-23.3	175.8	-66.1	-33.8	0	0	0	113.3
306	Q	37	Very low	32.6	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	4.7	-178.8	-128	76.1	43	0	0	115.3
307	K	32.1	Very low	32.4	Very low	179 Å²	179	135.1 Å²	135.1	78%	0.778	67%	0.671	S	S	*	*			trans	-101.1	29.2	-172.5	-147.1	-179.4	179.9	179.9	0	115.2
308	Y	29.2	Very low	32.4	Very low	213 Å²	213	134.1 Å²	134.1	84%	0.835	67%	0.674	S	S	*	*	S	Bend	trans	-112.5	152.2	153.7	-81	-96.7	0	0	0	107.9
309	V	33	Very low	32.3	Very low	128 Å²	128	134.1 Å²	134.1	78%	0.776	68%	0.681	S	S	*	*	S	Bend	trans	83.6	139.8	-173	-171.6	0	0	0	0	113.9
310	D	33.6	Very low	32.2	Very low	151 Å²	151	137 Å²	137	81%	0.807	70%	0.698	S	S	*	*			trans	60.4	100.8	173.7	-58.5	-16.8	0	0	0	121.1
311	L	27.3	Very low	32.1	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	72%	0.719	S	S	*	*			trans	-93.2	171	155	-80	76.6	0	0	0	110.6
312	N	28.2	Very low	31.9	Very low	137 Å²	137	139.7 Å²	139.7	73%	0.733	72%	0.719	S	S	*	*			trans	80.4	117.4	163.4	-44.1	-43.8	0	0	0	115
313	N	30.6	Very low	31.5	Very low	133 Å²	133	141 Å²	141	71%	0.711	73%	0.73	S	S	*	*				-171.7	149.5	69.2	-90	-38.2	0	0	0	113.5
314	H	33.3	Very low	31.2	Very low	145 Å²	145	138.7 Å²	138.7	67%	0.671	73%	0.729	S	S	*	*			trans	59.6	141.1	161.9	-51.4	-49.8	0	0	0	118.4
315	Q	28.5	Very low	30.9	Very low	142 Å²	142	137.9 Å²	137.9	66%	0.664	74%	0.735	S	S	*	*			cis	71.9	141	34.7	-54.4	-174.8	-82	0	0	113.7
316	E	27.7	Very low	30.6	Very low	150 Å²	150	134.8 Å²	134.8	70%	0.701	74%	0.736	S	S	*	*			cis	-170.3	170.5	-11.9	-106.7	151.1	-152.1	0	0	106.4
317	T	28.7	Very low	30.1	Very low	117 Å²	117	134.8 Å²	134.8	72%	0.718	74%	0.741	S	S	*	*			cis	-158	148.1	9.4	-9.8	0	0	0	0	110.4
318	S	31	Very low	29.9	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	74%	0.74	S	S	*	*			trans	47.8	-167.5	150.5	81.8	0	0	0	0	119.3
319	D	30.1	Very low	29.8	Very low	142 Å²	142	128.3 Å²	128.3	76%	0.759	73%	0.734	S	S	*	*			cis	-161.5	171	-10.4	-104	-33.8	0	0	0	106.9
320	S	31.6	Very low	29.7	Very low	82 Å²	82	129.3 Å²	129.3	57%	0.573	74%	0.735	S	S	*	*			cis	-174.5	154	-24.3	63.9	0	0	0	0	110.6
321	L	31.6	Very low	29.4	Very low	169 Å²	169	128.4 Å²	128.4	89%	0.885	73%	0.73	S	S	*	*			trans	65.8	154.1	158.4	-63.6	164.1	0	0	0	118.3
322	A	31.8	Very low	29.7	Very low	72 Å²	72	128.3 Å²	128.3	60%	0.595	73%	0.731	S	S	*	*			cis	-167.2	166.1	-15.6	0	0	0	0	0	111.5
323	D	29.2	Very low	29.7	Very low	151 Å²	151	128.2 Å²	128.2	81%	0.807	73%	0.73	S	S	*	*			trans	61.1	154.8	145.1	-78.8	41.1	0	0	0	122.1
324	T	30.8	Very low	29.7	Very low	102 Å²	102	130.6 Å²	130.6	63%	0.626	74%	0.737	S	S	*	*			cis	-163.1	146	-13.2	-106	0	0	0	0	112.4
325	T	28	Very low	29.5	Very low	138 Å²	138	131.2 Å²	131.2	85%	0.847	74%	0.74	S	S	*	*			trans	20.1	144.7	165.3	64.3	0	0	0	0	124.8
326	G	28.4	Very low	29.4	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	74%	0.744	S	S	*	*			trans	-171.3	121.8	153	0	0	0	0	0	115
327	N	27.5	Very low	29.5	Very low	159 Å²	159	133.6 Å²	133.6	85%	0.85	75%	0.754	S	S	*	*			trans	-83.3	170.5	169.2	-64.1	-10.3	0	0	0	109.5
328	T	28	Very low	29.4	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	76%	0.758	S	S	*	*			cis	-165.7	157.6	47.7	45.6	0	0	0	0	114.4
329	N	27.9	Very low	29.5	Very low	131 Å²	131	135 Å²	135	70%	0.701	77%	0.765	S	S	*	*			trans	-5.3	146.8	153.1	-47.9	9.7	0	0	0	121.6
330	N	29.2	Very low	29.6	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	77%	0.769	S	S	*	*				179.4	129.1	116.1	-81.6	0.6	0	0	0	106.1
331	D	29	Very low	29.9	Very low	133 Å²	133	138.3 Å²	138.3	71%	0.711	78%	0.781	S	S	*	*				65	117.1	63	-71.1	-29.4	0	0	0	114.4
332	D	32.8	Very low	30	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	78%	0.779	S	S	*	*			trans	169.9	93.9	138.7	-88.4	-28.3	0	0	0	114.3
333	N	29	Very low	30.6	Very low	135 Å²	135	142.2 Å²	142.2	72%	0.722	78%	0.775	S	S	*	*				47.7	164.3	121	-60.7	-49.9	0	0	0	125.8
334	E	30.5	Very low	31.3	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	77%	0.768	S	S	*	*			trans	68.1	154.1	162.1	-72.5	166.2	-149	0	0	119.8
335	E	27.9	Very low	32	Very low	158 Å²	158	140.2 Å²	140.2	74%	0.738	76%	0.757	S	S	*	*				-169.7	129.8	-50.8	-111.3	-162.3	173.9	0	0	105.7
336	I	27.2	Very low	33.1	Very low	145 Å²	145	139.3 Å²	139.3	74%	0.744	74%	0.743	S	S	*	*				54	110.9	118.6	-57.4	175.3	0	0	0	117.3
337	E	28.6	Very low	33.6	Very low	198 Å²	198	142 Å²	142	93%	0.925	74%	0.74	S	S	*	*			trans	-157.3	146.5	141.7	-126.6	-176.2	-147.2	0	0	110.6
338	C	27.1	Very low	34.8	Very low	117 Å²	117	139.1 Å²	139.1	79%	0.791	73%	0.732	S	S	*	*			trans	-150.1	119.4	179.4	-172.3	0	0	0	0	112.5
339	P	32.7	Very low	36	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	71%	0.71	S	S	*	*			trans	-78.6	162.2	-179.3	31.9	-35	0	0	0	113.3
340	T	33.1	Very low	37.8	Very low	139 Å²	139	138.2 Å²	138.2	85%	0.853	71%	0.709	S	S	*	*			trans	-92.3	140.8	-165.2	43.9	0	0	0	0	115.2	R342	T340-R342 PolarHBondContact O-N 2.93Å
341	D	37.5	Very low	39.3	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	70%	0.698	S	S	*	*			trans	-93.1	95.1	-172.6	-171.4	10.1	0	0	0	112.2
342	R	33.8	Very low	40.6	Very low	224 Å²	224	132.8 Å²	132.8	85%	0.845	67%	0.671	S	S	*	*			trans	-142.6	92.8	-179.6	-167.1	179.3	-173.6	-178.3	2.9	113	T340	T340-R342 PolarHBondContact O-N 2.93Å
343	I	43.8	Very low	42	Very low	99 Å²	99	128.7 Å²	128.7	51%	0.508	65%	0.649	S	S	.	*			trans	-75.5	130.7	178	-56.5	177.6	0	0	0	111.1
344	V	44	Very low	43.5	Very low	108 Å²	108	126.6 Å²	126.6	66%	0.655	63%	0.634	S	S	*	*			trans	-115.1	109	176.7	179.8	0	0	0	0	110.1	Y352	V344-Y352 PolarHBondContact O-OH 2.77Å
345	Y	46.1	Very low	45	Very low	103 Å²	103	121.5 Å²	121.5	40%	0.404	61%	0.61	S	S	.	*			trans	-104.5	147.4	-174.6	175	-103.1	0	0	0	113.1	L347 Y352 W357 T358	Y345-L347 HydrophobicContact CE1-CD2 4.07Å; Y345-L347 HydrophobicContact CE1-CG 4.02Å; Y345-L347 WeakPolarHBondContact OH-CD2 3.4Å; Y345-Y352 AromaticContact CD2-CD2 3.49Å; Y345-Y352 HydrophobicContact CD2-CD2 3.49Å; Y345-Y352 VanDerWaalsContact CD2-CD2 3.49Å; Y345-Y352 AromaticContact CD2-CE2 3.92Å; Y345-Y352 HydrophobicContact CD2-CE2 3.92Å; Y345-Y352 AromaticContact CD2-CG 3.86Å; Y345-Y352 HydrophobicContact CD2-CG 3.86Å; Y345-Y352 AromaticContact CE2-CD2 3.89Å; Y345-Y352 HydrophobicContact CE2-CD2 3.89Å; Y345-Y352 HydrophobicContact CE2-CG 4.02Å; Y345-Y352 HydrophobicContact CG-CD2 4.43Å; Y345-W357 HydrophobicContact CE2-CB 4.28Å; Y345-T358 PolarHBondContact OH-OG1 3Å; Y345-T358 VanDerWaalsContact OH-OG1 3.11Å
346	Q	50.3	Low	46.3	Very low	119 Å²	119	117 Å²	117	56%	0.556	61%	0.606	S	S	*	*			trans	-145.2	128.4	174	-107.6	-177.2	-10.6	0	0	110.2	S348 N349	Q346-S348 VanDerWaalsContact C-N 3.28Å; Q346-S348 PolarHBondContact O-N 2.84Å; Q346-N349 HydrophobicContact CB-CB 3.92Å; Q346-N349 WeakPolarHBondContact O-CB 3.43Å; Q346-N349 PolarHBondContact O-N 2.88Å
347	L	40	Very low	47.4	Very low	131 Å²	131	115.7 Å²	115.7	69%	0.686	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	-178.3	-75.8	158.3	0	0	0	113.4	Y345 N349 T358	Y345-L347 HydrophobicContact CE1-CD2 4.07Å; Y345-L347 HydrophobicContact CE1-CG 4.02Å; Y345-L347 WeakPolarHBondContact OH-CD2 3.4Å; L347-N349 VanDerWaalsContact C-N 3.34Å; L347-T358 HydrophobicContact CD2-CG2 4.37Å; L347-T358 WeakPolarHBondContact O-CG2 3.29Å
348	S	52.3	Low	48.8	Very low	99 Å²	99	107.2 Å²	107.2	69%	0.692	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-7	179	51.2	0	0	0	0	114.3	Q346 R350	Q346-S348 VanDerWaalsContact C-N 3.28Å; Q346-S348 PolarHBondContact O-N 2.84Å; S348-R350 PolarHBondContact O-N 2.89Å; S348-R350 VanDerWaalsContact O-N 3.16Å
349	N	52.7	Low	49.9	Very low	56 Å²	56	106 Å²	106	30%	0.299	55%	0.552	S	S	.	*			trans	-77.6	109.2	-174.2	-173.8	-25.9	0	0	0	110.5	Q346 L347 K351 Y352 I353	Q346-N349 HydrophobicContact CB-CB 3.92Å; Q346-N349 WeakPolarHBondContact O-CB 3.43Å; Q346-N349 PolarHBondContact O-N 2.88Å; L347-N349 VanDerWaalsContact C-N 3.34Å; N349-K351 PolarHBondContact O-N 2.85Å; N349-K351 WeakPolarHBondContact OD1-CB 3.06Å; N349-K351 PolarHBondContact OD1-N 3.31Å; N349-Y352 HydrophobicContact CB-CD2 3.76Å; N349-Y352 HydrophobicContact CB-CE2 4.13Å; N349-Y352 PolarHBondContact O-N 3.18Å; N349-I353 PolarHBondContact O-N 2.76Å
350	R	65.7	Low	50.6	Low	180 Å²	180	103.3 Å²	103.3	68%	0.679	53%	0.534	S	S	*	.	H	α-helix	trans	-48	-33.2	178.3	-178.7	171.9	171.2	161.4	2	113.8	S348 Y352 I353 E354	S348-R350 PolarHBondContact O-N 2.89Å; S348-R350 VanDerWaalsContact O-N 3.16Å; R350-Y352 PolarHBondContact O-N 2.86Å; R350-I353 PolarHBondContact O-N 2.98Å; R350-E354 HydrophobicContact CG-CG 4.16Å; R350-E354 WeakPolarHBondContact CG-OE1 3.12Å; R350-E354 IonicContact CZ-OE1 2.73Å; R350-E354 IonicContact NE-OE1 3.28Å; R350-E354 PolarHBondContact NE-OE1 2.78Å; R350-E354 IonicContact NH2-OE1 3.8Å; R350-E354 PolarHBondContact NH2-OE1 2.62Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 WeakPolarHBondContact O-CG 3.23Å; R350-E354 PolarHBondContact O-N 2.89Å
351	K	60.2	Low	50.9	Low	129 Å²	129	103.8 Å²	103.8	56%	0.561	53%	0.531	S	S	*	.	H	α-helix	trans	-58.2	-35.8	177.5	-160.5	178.9	-173.9	-177.1	0	112	N349 Q355 K617	N349-K351 PolarHBondContact O-N 2.85Å; N349-K351 WeakPolarHBondContact OD1-CB 3.06Å; N349-K351 PolarHBondContact OD1-N 3.31Å; K351-Q355 WeakPolarHBondContact O-CB 3.34Å; K351-Q355 VanDerWaalsContact O-CG 3.32Å; K351-Q355 WeakPolarHBondContact O-CG 3.37Å; K351-Q355 PolarHBondContact O-N 3Å; K351-K617 PolarHBondContact O-NZ 3.25Å
352	Y	56.3	Low	51.2	Low	39 Å²	39	104 Å²	104	15%	0.153	53%	0.527	C	S	.	.	H	α-helix	trans	-87.5	-32.7	-179.3	-59.4	-44	0	0	0	114	V344 Y345 N349 R350 Q355 G356 W357 T358	V344-Y352 PolarHBondContact O-OH 2.77Å; Y345-Y352 AromaticContact CD2-CD2 3.49Å; Y345-Y352 HydrophobicContact CD2-CD2 3.49Å; Y345-Y352 VanDerWaalsContact CD2-CD2 3.49Å; Y345-Y352 AromaticContact CD2-CE2 3.92Å; Y345-Y352 HydrophobicContact CD2-CE2 3.92Å; Y345-Y352 AromaticContact CD2-CG 3.86Å; Y345-Y352 HydrophobicContact CD2-CG 3.86Å; Y345-Y352 AromaticContact CE2-CD2 3.89Å; Y345-Y352 HydrophobicContact CE2-CD2 3.89Å; Y345-Y352 HydrophobicContact CE2-CG 4.02Å; Y345-Y352 HydrophobicContact CG-CD2 4.43Å; N349-Y352 HydrophobicContact CB-CD2 3.76Å; N349-Y352 HydrophobicContact CB-CE2 4.13Å; N349-Y352 PolarHBondContact O-N 3.18Å; R350-Y352 PolarHBondContact O-N 2.86Å; Y352-Q355 PolarHBondContact O-N 2.84Å; Y352-G356 PolarHBondContact O-N 3.11Å; Y352-W357 PolarHBondContact O-N 2.79Å; Y352-T358 PolarHBondContact O-N 2.86Å
353	I	62.2	Low	51.2	Low	63 Å²	63	98.5 Å²	98.5	32%	0.323	52%	0.517	S	S	.	.	H	α-helix	trans	-57.4	-55.4	169.1	-65.6	169.1	0	0	0	109.5	N349 R350 Q355 G356 T358 V360	N349-I353 PolarHBondContact O-N 2.76Å; R350-I353 PolarHBondContact O-N 2.98Å; I353-Q355 PolarHBondContact O-N 2.88Å; I353-G356 PolarHBondContact O-N 2.79Å; I353-T358 HydrophobicContact CG1-CG2 4Å; I353-V360 HydrophobicContact CD1-CG2 4.26Å; I353-V360 HydrophobicContact CG1-CG2 4.22Å; I353-V360 HydrophobicContact CG2-CG2 3.72Å
354	E	61.5	Low	50.7	Low	90 Å²	90	102.6 Å²	102.6	42%	0.421	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.4	179.4	-67.6	171.6	173.7	0	0	113.7	R350 G356 K617	R350-E354 HydrophobicContact CG-CG 4.16Å; R350-E354 WeakPolarHBondContact CG-OE1 3.12Å; R350-E354 IonicContact CZ-OE1 2.73Å; R350-E354 IonicContact NE-OE1 3.28Å; R350-E354 PolarHBondContact NE-OE1 2.78Å; R350-E354 IonicContact NH2-OE1 3.8Å; R350-E354 PolarHBondContact NH2-OE1 2.62Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 WeakPolarHBondContact O-CG 3.23Å; R350-E354 PolarHBondContact O-N 2.89Å; E354-G356 VanDerWaalsContact C-N 3.31Å; E354-K617 VanDerWaalsContact C-CE 3.4Å; E354-K617 HydrophobicContact CB-CD 3.9Å; E354-K617 VanDerWaalsContact O-CE 3.3Å; E354-K617 WeakPolarHBondContact O-CE 3.22Å; E354-K617 IonicContact OE2-NZ 2.65Å; E354-K617 PolarHBondContact OE2-NZ 3.18Å
355	Q	61.8	Low	50.3	Low	75 Å²	75	104.4 Å²	104.4	35%	0.35	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.2	171.9	-85.3	-171.7	-3.1	0	0	112.5	K351 Y352 I353 W357	K351-Q355 WeakPolarHBondContact O-CB 3.34Å; K351-Q355 VanDerWaalsContact O-CG 3.32Å; K351-Q355 WeakPolarHBondContact O-CG 3.37Å; K351-Q355 PolarHBondContact O-N 3Å; Y352-Q355 PolarHBondContact O-N 2.84Å; I353-Q355 PolarHBondContact O-N 2.88Å; Q355-W357 VanDerWaalsContact C-N 3.29Å; Q355-W357 VanDerWaalsContact CB-CD1 3.5Å; Q355-W357 PolarHBondContact O-N 2.96Å
356	G	55.2	Low	49.6	Very low	63 Å²	63	107.1 Å²	107.1	65%	0.649	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.8	6.6	179.2	0	0	0	0	0	115.6	Y352 I353 E354	Y352-G356 PolarHBondContact O-N 3.11Å; I353-G356 PolarHBondContact O-N 2.79Å; E354-G356 VanDerWaalsContact C-N 3.31Å
357	W	50.8	Low	49	Very low	119 Å²	119	108 Å²	108	45%	0.451	56%	0.561	S	S	.	*	S	Bend	trans	-72.6	-38.1	171.6	-61.8	86.4	0	0	0	111.3	Y345 Y352 Q355	Y345-W357 HydrophobicContact CE2-CB 4.28Å; Y352-W357 PolarHBondContact O-N 2.79Å; Q355-W357 VanDerWaalsContact C-N 3.29Å; Q355-W357 VanDerWaalsContact CB-CD1 3.5Å; Q355-W357 PolarHBondContact O-N 2.96Å
358	T	57.6	Low	48.6	Very low	19 Å²	19	105.1 Å²	105.1	12%	0.117	56%	0.563	C	S	.	*	S	Bend	trans	-103.2	100.6	180	-42.7	0	0	0	0	110.1	Y345 L347 Y352 I353 V360	Y345-T358 PolarHBondContact OH-OG1 3Å; Y345-T358 VanDerWaalsContact OH-OG1 3.11Å; L347-T358 HydrophobicContact CD2-CG2 4.37Å; L347-T358 WeakPolarHBondContact O-CG2 3.29Å; Y352-T358 PolarHBondContact O-N 2.86Å; I353-T358 HydrophobicContact CG1-CG2 4Å; T358-V360 PolarHBondContact O-N 2.96Å
359	A	50.7	Low	47.9	Very low	92 Å²	92	107.6 Å²	107.6	76%	0.76	57%	0.568	S	S	*	*			trans	-73.1	116	173.3	0	0	0	0	0	111
360	V	47.6	Very low	47	Very low	70 Å²	70	110.8 Å²	110.8	42%	0.424	59%	0.586	S	S	.	*			trans	-86.9	110.5	174.9	-179.1	0	0	0	0	109.3	I353 T358 H362	I353-V360 HydrophobicContact CD1-CG2 4.26Å; I353-V360 HydrophobicContact CG1-CG2 4.22Å; I353-V360 HydrophobicContact CG2-CG2 3.72Å; T358-V360 PolarHBondContact O-N 2.96Å; V360-H362 VanDerWaalsContact C-N 3.31Å; V360-H362 WeakPolarHBondContact CG1-NE2 3.08Å; V360-H362 PolarHBondContact O-N 2.67Å
361	N	39.4	Very low	45.5	Very low	148 Å²	148	108.9 Å²	108.9	79%	0.791	59%	0.589	S	S	*	*			trans	-70.5	87.3	171.3	-90.9	-13.9	0	0	0	110.2	V363	N361-V363 PolarHBondContact O-N 3.34Å
362	H	42.3	Very low	44.3	Very low	158 Å²	158	108.7 Å²	108.7	73%	0.731	59%	0.594	S	S	*	*			trans	-70.5	78.9	166.2	-70.7	-72.8	0	0	0	110.2	V360 K364	V360-H362 VanDerWaalsContact C-N 3.31Å; V360-H362 WeakPolarHBondContact CG1-NE2 3.08Å; V360-H362 PolarHBondContact O-N 2.67Å; H362-K364 VanDerWaalsContact C-N 3.34Å; H362-K364 PolarHBondContact O-N 3.44Å
363	V	34.1	Very low	43.4	Very low	108 Å²	108	112.6 Å²	112.6	66%	0.655	62%	0.617	S	S	*	*			trans	-62.7	99.1	164.6	-179	0	0	0	0	107.1	N361 H365	N361-V363 PolarHBondContact O-N 3.34Å; V363-H365 PolarHBondContact O-N 3.09Å
364	K	34.4	Very low	42	Very low	186 Å²	186	115.6 Å²	115.6	81%	0.809	63%	0.634	S	S	*	*			trans	-68.6	98.6	170.1	-70.9	-172.2	176.6	-174.2	0	107.9	H362 I366	H362-K364 VanDerWaalsContact C-N 3.34Å; H362-K364 PolarHBondContact O-N 3.44Å; K364-I366 PolarHBondContact O-N 2.88Å
365	H	35.9	Very low	40.8	Very low	146 Å²	146	119.5 Å²	119.5	68%	0.676	66%	0.657	S	S	*	*			trans	-57.9	121.5	161.1	-86.7	-107.2	0	0	0	108.2	V363 D367	V363-H365 PolarHBondContact O-N 3.09Å; H365-D367 PolarHBondContact O-N 2.87Å
366	I	31.2	Very low	39.3	Very low	160 Å²	160	121.7 Å²	121.7	82%	0.821	67%	0.671	S	S	*	*			trans	-90	68.5	175.4	-54.6	176.1	0	0	0	106.5	K364 G368	K364-I366 PolarHBondContact O-N 2.88Å; I366-G368 PolarHBondContact O-N 3.3Å
367	D	37.5	Very low	38.2	Very low	137 Å²	137	126 Å²	126	73%	0.733	68%	0.678	S	S	*	*			trans	-84.4	93	170.6	-61.7	-24.3	0	0	0	106.4	H365	H365-D367 PolarHBondContact O-N 2.87Å
368	G	31.3	Very low	37.2	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	69%	0.688	S	S	*	*			trans	-86.9	128.8	179.8	0	0	0	0	0	111.4	I366	I366-G368 PolarHBondContact O-N 3.3Å
369	D	38	Very low	35.9	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	72%	0.722	S	S	*	*			trans	-141.5	166.2	146.9	-141.8	-26.4	0	0	0	111.2
370	N	33.2	Very low	35	Very low	124 Å²	124	129.2 Å²	129.2	66%	0.663	72%	0.719	S	S	*	*			trans	-91	174.3	-152.2	-65.5	-91.4	0	0	0	114.3
371	N	34.3	Very low	34.1	Very low	139 Å²	139	134 Å²	134	74%	0.743	74%	0.742	S	S	*	*			trans	82.7	111	150.1	-56.8	-32	0	0	0	120.1
372	N	34	Very low	33.5	Very low	126 Å²	126	130.4 Å²	130.4	67%	0.674	74%	0.741	S	S	*	*				96.5	135.6	115.6	-81	41.9	0	0	0	123.8
373	D	37.8	Very low	33.2	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	75%	0.752	S	S	*	*			trans	76.9	93.6	137.7	-60.8	-32.6	0	0	0	123.1
374	N	33.4	Very low	32.9	Very low	127 Å²	127	132.9 Å²	132.9	68%	0.679	76%	0.758	S	S	*	*				57.5	103.6	113.4	-67.1	-51	0	0	0	121.5
375	L	36.9	Very low	32.5	Very low	171 Å²	171	132 Å²	132	90%	0.895	76%	0.759	S	S	*	*			trans	-167.1	117.2	139.8	-131.6	66.2	0	0	0	107.3
376	L	30.1	Very low	32.1	Very low	122 Å²	122	132.6 Å²	132.6	64%	0.639	76%	0.761	S	S	*	*			cis	79.8	107.7	19.3	-124.1	179.5	0	0	0	115.4
377	L	31	Very low	31.8	Very low	153 Å²	153	132 Å²	132	80%	0.801	76%	0.758	S	S	*	*			trans	144.5	168.3	139.8	-75.7	173	0	0	0	112.2
378	V	31.4	Very low	31.4	Very low	109 Å²	109	133.4 Å²	133.4	66%	0.661	77%	0.766	S	S	*	*				-170.3	155.3	-77.2	139.6	0	0	0	0	110.5
379	S	30.3	Very low	31.1	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	76%	0.762	S	S	*	*			trans	73.2	158.8	172.3	-62.7	0	0	0	0	117.2
380	G	31.6	Very low	30.6	Very low	68 Å²	68	134.2 Å²	134.2	70%	0.701	76%	0.761	S	S	*	*			cis	-167.2	-177	1.9	0	0	0	0	0	114.4
381	D	27.6	Very low	30.4	Very low	170 Å²	170	137.9 Å²	137.9	91%	0.909	77%	0.771	S	S	*	*			trans	-94.6	155.7	-162.1	-47.7	-89.6	0	0	0	116.2
382	G	27.7	Very low	30	Very low	74 Å²	74	137.3 Å²	137.3	76%	0.763	77%	0.772	S	S	*	*			trans	92.7	116.7	139.4	0	0	0	0	0	119.1
383	E	35	Very low	29.8	Very low	207 Å²	207	138.5 Å²	138.5	97%	0.967	78%	0.778	S	S	*	*				-165.7	160	121.7	-112.4	179	-172.1	0	0	111.2
384	S	27.9	Very low	29.2	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	79%	0.785	S	S	*	*			trans	-136.7	128.9	-175.2	63.3	0	0	0	0	112.2
385	M	26.6	Very low	28.8	Very low	168 Å²	168	142 Å²	142	83%	0.828	79%	0.791	S	S	*	*			trans	-149.8	125.5	156.5	-81.5	-154.1	77.7	0	0	113.8
386	H	27.5	Very low	28.3	Very low	158 Å²	158	139.1 Å²	139.1	73%	0.731	79%	0.785	S	S	*	*			trans	41.8	106.5	140.5	-70.2	-90	0	0	0	121.7
387	I	25.8	Very low	28.2	Very low	147 Å²	147	139.4 Å²	139.4	75%	0.754	79%	0.792	S	S	*	*				9.9	125.2	125.2	-52.4	167	0	0	0	116.2
388	N	27.8	Very low	28	Very low	168 Å²	168	140 Å²	140	90%	0.898	79%	0.791	S	S	*	*			trans	-132.2	143.5	136.8	-101.5	-45.7	0	0	0	109.2
389	S	26.2	Very low	28	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	78%	0.779	S	S	*	*			trans	-88.5	176.2	-177.2	-158.9	0	0	0	0	112
390	D	25.7	Very low	28	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	78%	0.775	S	S	*	*			trans	70.5	70.1	155	-54.7	-8.3	0	0	0	117.3
391	K	30.4	Very low	28.5	Very low	202 Å²	202	140.4 Å²	140.4	88%	0.878	76%	0.757	S	S	*	*			trans	-148.4	109.4	135.2	-120.7	165.2	-172	173.7	0	112.8	L393	K391-L393 PolarHBondContact O-N 2.91Å
392	V	26	Very low	30	Very low	126 Å²	126	137.2 Å²	137.2	76%	0.764	74%	0.74	S	S	*	*			trans	-78.2	114.4	173.7	177.8	0	0	0	0	109.2
393	L	29.5	Very low	31.7	Very low	152 Å²	152	138.2 Å²	138.2	80%	0.796	72%	0.723	S	S	*	*			trans	-123.7	139.3	154.6	-112.2	86	0	0	0	108.5	K391 E395	K391-L393 PolarHBondContact O-N 2.91Å; L393-E395 PolarHBondContact O-N 2.97Å; L393-E395 VanDerWaalsContact O-N 3.16Å
394	N	25.1	Very low	33.7	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	69%	0.69	S	S	*	*			trans	-86.7	81.9	-173.9	-66.9	-35.6	0	0	0	111.3	S396	N394-S396 VanDerWaalsContact C-N 3.33Å; N394-S396 PolarHBondContact O-N 3.34Å; N394-S396 VanDerWaalsContact O-N 3.08Å
395	E	24.7	Very low	36.1	Very low	173 Å²	173	129.1 Å²	129.1	81%	0.808	67%	0.67	S	S	*	*			trans	-80.1	81.7	167.6	-69.1	-168.5	160.4	0	0	110.6	L393 T397	L393-E395 PolarHBondContact O-N 2.97Å; L393-E395 VanDerWaalsContact O-N 3.16Å; E395-T397 PolarHBondContact O-N 2.94Å
396	S	27.2	Very low	38.8	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	64%	0.636	S	S	*	*			trans	-66.6	98.1	166.8	52.2	0	0	0	0	109.4	N394 E398	N394-S396 VanDerWaalsContact C-N 3.33Å; N394-S396 PolarHBondContact O-N 3.34Å; N394-S396 VanDerWaalsContact O-N 3.08Å; S396-E398 VanDerWaalsContact C-N 3.34Å; S396-E398 PolarHBondContact O-N 2.94Å
397	T	27	Very low	41.4	Very low	127 Å²	127	117.6 Å²	117.6	78%	0.779	62%	0.619	S	S	*	*			trans	-66	90.3	-178.9	-32.6	0	0	0	0	110.6	E395 I399	E395-T397 PolarHBondContact O-N 2.94Å; T397-I399 PolarHBondContact O-N 2.75Å
398	E	27.1	Very low	44.1	Very low	167 Å²	167	110.9 Å²	110.9	78%	0.78	58%	0.584	S	S	*	*			trans	-71.5	96.5	-179.9	-171.7	165.8	-122.9	0	0	109.4	S396 Q400	S396-E398 VanDerWaalsContact C-N 3.34Å; S396-E398 PolarHBondContact O-N 2.94Å; E398-Q400 VanDerWaalsContact C-N 3.32Å; E398-Q400 PolarHBondContact O-N 2.84Å
399	I	32.3	Very low	46.6	Very low	83 Å²	83	107.2 Å²	107.2	43%	0.426	57%	0.571	S	S	.	*			trans	-67.1	93.3	177.7	-56.2	175	0	0	0	108.2	T397 L401	T397-I399 PolarHBondContact O-N 2.75Å; I399-L401 PolarHBondContact O-N 3.34Å
400	Q	30.6	Very low	49	Very low	158 Å²	158	107 Å²	107	74%	0.738	56%	0.563	S	S	*	*			trans	-56.4	110.9	169.5	-72.5	-177.6	-20.2	0	0	108.6	E398 D402	E398-Q400 VanDerWaalsContact C-N 3.32Å; E398-Q400 PolarHBondContact O-N 2.84Å; Q400-D402 PolarHBondContact O-N 3.23Å
401	L	41.6	Very low	51.4	Low	63 Å²	63	102.7 Å²	102.7	33%	0.33	55%	0.553	S	S	.	*			trans	-84.4	90.2	172.5	-82	166.6	0	0	0	107.4	I399 F403	I399-L401 PolarHBondContact O-N 3.34Å; L401-F403 WeakPolarHBondContact O-CD1 3.42Å; L401-F403 PolarHBondContact O-N 3.22Å; L401-F403 VanDerWaalsContact O-N 3.09Å
402	D	57.6	Low	53.7	Low	104 Å²	104	96.4 Å²	96.4	56%	0.556	53%	0.527	S	S	*	.			trans	-57.4	115.3	170	-70.8	-19.2	0	0	0	109.9	Q400 N419	Q400-D402 PolarHBondContact O-N 3.23Å; D402-N419 WeakPolarHBondContact CB-ND2 3.37Å; D402-N419 PolarHBondContact O-OD1 3.28Å
403	F	65.3	Low	56	Low	94 Å²	94	91.2 Å²	91.2	41%	0.412	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.8	170	63.6	-101.1	0	0	0	109.5	L401 Q405 R416 K417 Y418	L401-F403 WeakPolarHBondContact O-CD1 3.42Å; L401-F403 PolarHBondContact O-N 3.22Å; L401-F403 VanDerWaalsContact O-N 3.09Å; F403-Q405 HydrophobicContact CD2-CB 3.91Å; F403-Q405 HydrophobicContact CE2-CB 3.82Å; F403-R416 HydrophobicContact CB-CG 4.25Å; F403-R416 HydrophobicContact CD2-CG 3.72Å; F403-R416 HydrophobicContact CE2-CG 4.39Å; F403-R416 HydrophobicContact CG-CG 4.12Å; F403-K417 CarbonylContact C-O 3.51Å; F403-K417 VanDerWaalsContact CA-O 3.24Å; F403-K417 WeakPolarHBondContact CA-O 3.39Å; F403-K417 WeakPolarHBondContact CB-O 3.3Å; F403-Y418 HydrophobicContact CB-CD1 3.76Å; F403-Y418 HydrophobicContact CB-CE1 4Å; F403-Y418 HydrophobicContact CB-CG 4.29Å; F403-Y418 HydrophobicContact CD1-CE1 4.27Å; F403-Y418 HydrophobicContact CG-CE1 4.36Å
404	I	76.4	Confident	58.7	Low	50 Å²	50	84 Å²	84	26%	0.256	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121	170.2	-60.5	174.4	0	0	0	106.9	R416 K417 E615	I404-R416 WeakPolarHBondContact O-CA 3.3Å; I404-K417 HydrophobicContact CB-CB 4.42Å; I404-K417 HydrophobicContact CD1-CD 4.42Å; I404-K417 PolarHBondContact N-O 2.91Å; I404-K417 PolarHBondContact O-N 3.35Å; I404-E615 HydrophobicContact CD1-CG 4.45Å; I404-E615 VanDerWaalsContact CD1-OE1 3.29Å; I404-E615 WeakPolarHBondContact CD1-OE1 3.42Å
405	Q	78.5	Confident	61.5	Low	76 Å²	76	76.9 Å²	76.9	36%	0.355	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.9	172.5	-169.4	177	-92.4	0	0	110.5	F403 V413 L415 R416	F403-Q405 HydrophobicContact CD2-CB 3.91Å; F403-Q405 HydrophobicContact CE2-CB 3.82Å; Q405-V413 HydrophobicContact CG-CG1 3.8Å; Q405-V413 HydrophobicContact CG-CG2 4.34Å; Q405-L415 VanDerWaalsContact CA-O 3.28Å; Q405-L415 WeakPolarHBondContact CA-O 3.26Å; Q405-L415 WeakPolarHBondContact CG-O 3.25Å; Q405-R416 VanDerWaalsContact OE1-CZ 3.27Å
406	H	83	Confident	64	Low	25 Å²	25	70.3 Å²	70.3	12%	0.116	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141	168.6	-59.6	-48.2	0	0	0	109.2	F414 L415 W607 Y613	H406-F414 HydrophobicContact CB-CD1 4.3Å; H406-F414 PolarHBondContact O-N 3.1Å; H406-L415 HydrophobicContact CB-CB 4.28Å; H406-L415 PolarHBondContact N-O 2.97Å; H406-L415 PolarHBondContact O-N 2.89Å; H406-L415 VanDerWaalsContact O-N 3.11Å; H406-W607 AromaticContact CD2-CH2 3.54Å; H406-W607 AromaticContact CD2-CZ2 3.55Å; H406-W607 AromaticContact NE2-CZ2 3.73Å; H406-Y613 HydrophobicContact CB-CD1 3.75Å; H406-Y613 HydrophobicContact CB-CE1 4.01Å; H406-Y613 AromaticContact CG-CD1 3.83Å; H406-Y613 AromaticContact ND1-CD1 3.98Å
407	T	82.5	Confident	66.6	Low	60 Å²	60	66.4 Å²	66.4	37%	0.368	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.1	178	51.4	0	0	0	0	110.8	E412 Y613	T407-E412 CarbonylContact C-O 3.58Å; T407-E412 VanDerWaalsContact CA-O 3.23Å; T407-E412 WeakPolarHBondContact CA-O 3.27Å; T407-E412 WeakPolarHBondContact CB-O 3.4Å; T407-Y613 VanDerWaalsContact O-CE1 3.3Å; T407-Y613 WeakPolarHBondContact O-CE1 3.29Å; T407-Y613 PolarHBondContact O-OH 2.04Å
408	Y	82.5	Confident	68.7	Low	5 Å²	5	61.4 Å²	61.4	2%	0.02	32%	0.323	C	S	.	.			trans	-65.2	166.7	166	-72.9	-72.5	0	0	0	111.8	N410 G411 E412 F414 F426 Y427 P428 F587 T589 M590 I592	Y408-N410 WeakPolarHBondContact CB-OD1 3.38Å; Y408-N410 PolarHBondContact O-N 2.84Å; Y408-G411 PolarHBondContact O-N 2.97Å; Y408-E412 HydrophobicContact CD2-CB 4.3Å; Y408-E412 PolarHBondContact N-O 3.24Å; Y408-F414 HydrophobicContact CD1-CB 4.31Å; Y408-F414 HydrophobicContact CD2-CB 3.8Å; Y408-F414 HydrophobicContact CE1-CB 4.22Å; Y408-F414 AromaticContact CE1-CD2 3.96Å; Y408-F414 HydrophobicContact CE1-CD2 3.96Å; Y408-F414 HydrophobicContact CE1-CG 4.36Å; Y408-F414 HydrophobicContact CE2-CB 3.71Å; Y408-F414 HydrophobicContact CE2-CD2 4.01Å; Y408-F414 HydrophobicContact CE2-CG 4.36Å; Y408-F414 HydrophobicContact CG-CB 4.13Å; Y408-F414 AromaticContact CZ-CD2 3.54Å; Y408-F414 WeakPolarHBondContact OH-CD2 3.39Å; Y408-F426 PolarHBondContact OH-O 3.02Å; Y408-Y427 VanDerWaalsContact CE2-C 3.5Å; Y408-P428 HydrophobicContact CD1-CG 4.46Å; Y408-P428 HydrophobicContact CD2-CB 4.47Å; Y408-P428 HydrophobicContact CE1-CB 4.34Å; Y408-P428 HydrophobicContact CE1-CG 3.84Å; Y408-P428 VanDerWaalsContact CE2-CA 3.42Å; Y408-P428 HydrophobicContact CE2-CB 4.24Å; Y408-P428 HydrophobicContact CE2-CG 4.24Å; Y408-P428 VanDerWaalsContact OH-CD 3.3Å; Y408-P428 WeakPolarHBondContact OH-CD 3.45Å; Y408-F587 VanDerWaalsContact OH-CE1 3.3Å; Y408-F587 WeakPolarHBondContact OH-CE1 3.45Å; Y408-F587 VanDerWaalsContact OH-CZ 3.25Å; Y408-F587 WeakPolarHBondContact OH-CZ 3.38Å; Y408-T589 HydrophobicContact CE1-CG2 3.67Å; Y408-T589 WeakPolarHBondContact OH-CG2 3.28Å; Y408-M590 HydrophobicContact CD1-SD 3.93Å; Y408-M590 HydrophobicContact CG-SD 4.39Å; Y408-I592 HydrophobicContact CD1-CD1 3.58Å; Y408-I592 HydrophobicContact CD1-CG1 4.26Å; Y408-I592 HydrophobicContact CE1-CD1 3.7Å; Y408-I592 HydrophobicContact CE1-CG1 4.3Å; Y408-I592 HydrophobicContact CG-CD1 4.43Å
409	S	79.5	Confident	70.8	Confident	91 Å²	91	58.1 Å²	58.1	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.2	174.8	62.9	0	0	0	0	114.5	M590	S409-M590 WeakPolarHBondContact OG-CE 3.39Å
410	N	76.6	Confident	72.3	Confident	87 Å²	87	55.9 Å²	55.9	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.8	169.2	71	-13.7	0	0	0	113.1	Y408 E412 P428	Y408-N410 WeakPolarHBondContact CB-OD1 3.38Å; Y408-N410 PolarHBondContact O-N 2.84Å; N410-E412 VanDerWaalsContact C-N 3.33Å; N410-E412 PolarHBondContact O-N 2.89Å; N410-E412 WeakPolarHBondContact OD1-CB 3.43Å; N410-E412 PolarHBondContact OD1-N 3.16Å; N410-E412 VanDerWaalsContact OD1-N 3.14Å; N410-P428 PolarHBondContact ND2-O 3.32Å
411	G	77.2	Confident	74.1	Confident	55 Å²	55	51 Å²	51	57%	0.567	28%	0.279	S	S	*	.	S	Bend	trans	86.3	-14.8	-179.3	0	0	0	0	0	115.6	Y408	Y408-G411 PolarHBondContact O-N 2.97Å
412	E	76.7	Confident	75.6	Confident	71 Å²	71	48.2 Å²	48.2	33%	0.332	27%	0.265	S	S	.	.			trans	-65.5	151.8	174.2	-76.2	-70.8	145.9	0	0	111.2	R249 T407 Y408 N410 F414 G430	R249-E412 IonicContact NH1-OE2 2.66Å; T407-E412 CarbonylContact C-O 3.58Å; T407-E412 VanDerWaalsContact CA-O 3.23Å; T407-E412 WeakPolarHBondContact CA-O 3.27Å; T407-E412 WeakPolarHBondContact CB-O 3.4Å; Y408-E412 HydrophobicContact CD2-CB 4.3Å; Y408-E412 PolarHBondContact N-O 3.24Å; N410-E412 VanDerWaalsContact C-N 3.33Å; N410-E412 PolarHBondContact O-N 2.89Å; N410-E412 WeakPolarHBondContact OD1-CB 3.43Å; N410-E412 PolarHBondContact OD1-N 3.16Å; N410-E412 VanDerWaalsContact OD1-N 3.14Å; E412-F414 PolarHBondContact O-N 3.22Å; E412-G430 VanDerWaalsContact OE2-CA 3.25Å; E412-G430 WeakPolarHBondContact OE2-CA 3.4Å
413	V	76.3	Confident	76.4	Confident	16 Å²	16	43.2 Å²	43.2	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.6	177.5	-179.2	0	0	0	0	109.5	Q405 F426	Q405-V413 HydrophobicContact CG-CG1 3.8Å; Q405-V413 HydrophobicContact CG-CG2 4.34Å; V413-F426 HydrophobicContact CB-CD2 4.28Å; V413-F426 HydrophobicContact CB-CE2 4.49Å; V413-F426 HydrophobicContact CG1-CD2 3.84Å; V413-F426 HydrophobicContact CG1-CE2 3.87Å; V413-F426 WeakPolarHBondContact O-CB 3.09Å
414	F	84.3	Confident	77.2	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-56.2	168.1	165.2	-115.1	0	0	0	111.1	H406 Y408 E412 I425 F426 F587 I592 C594 W607	H406-F414 HydrophobicContact CB-CD1 4.3Å; H406-F414 PolarHBondContact O-N 3.1Å; Y408-F414 HydrophobicContact CD1-CB 4.31Å; Y408-F414 HydrophobicContact CD2-CB 3.8Å; Y408-F414 HydrophobicContact CE1-CB 4.22Å; Y408-F414 AromaticContact CE1-CD2 3.96Å; Y408-F414 HydrophobicContact CE1-CD2 3.96Å; Y408-F414 HydrophobicContact CE1-CG 4.36Å; Y408-F414 HydrophobicContact CE2-CB 3.71Å; Y408-F414 HydrophobicContact CE2-CD2 4.01Å; Y408-F414 HydrophobicContact CE2-CG 4.36Å; Y408-F414 HydrophobicContact CG-CB 4.13Å; Y408-F414 AromaticContact CZ-CD2 3.54Å; Y408-F414 WeakPolarHBondContact OH-CD2 3.39Å; E412-F414 PolarHBondContact O-N 3.22Å; F414-I425 HydrophobicContact CD2-CG2 4.05Å; F414-I425 HydrophobicContact CE2-CB 4.48Å; F414-I425 HydrophobicContact CE2-CG1 4.41Å; F414-I425 HydrophobicContact CE2-CG2 3.41Å; F414-I425 VanDerWaalsContact CE2-CG2 3.41Å; F414-I425 HydrophobicContact CZ-CD1 4.18Å; F414-I425 HydrophobicContact CZ-CG1 4.19Å; F414-I425 HydrophobicContact CZ-CG2 4.01Å; F414-I425 CarbonylContact O-C 3.57Å; F414-I425 VanDerWaalsContact O-CA 3.29Å; F414-I425 WeakPolarHBondContact O-CA 3.46Å; F414-F426 PolarHBondContact O-N 2.85Å; F414-F587 HydrophobicContact CD2-CE1 4.01Å; F414-F587 AromaticContact CE2-CD1 3.65Å; F414-F587 HydrophobicContact CE2-CD1 3.65Å; F414-F587 AromaticContact CE2-CE1 3.42Å; F414-F587 HydrophobicContact CE2-CE1 3.42Å; F414-F587 VanDerWaalsContact CE2-CE1 3.42Å; F414-F587 HydrophobicContact CE2-CG 4.49Å; F414-F587 HydrophobicContact CE2-CZ 4.1Å; F414-F587 HydrophobicContact CZ-CD1 4.32Å; F414-F587 HydrophobicContact CZ-CE1 4.47Å; F414-I592 HydrophobicContact CB-CD1 3.84Å; F414-I592 HydrophobicContact CD1-CD1 3.8Å; F414-I592 HydrophobicContact CD1-CG2 4.22Å; F414-I592 HydrophobicContact CD2-CD1 4.09Å; F414-I592 HydrophobicContact CD2-CG2 4.34Å; F414-I592 HydrophobicContact CE1-CD1 4.49Å; F414-I592 HydrophobicContact CE1-CG2 3.89Å; F414-I592 HydrophobicContact CE2-CG2 3.99Å; F414-I592 HydrophobicContact CG-CD1 3.58Å; F414-I592 HydrophobicContact CG-CG2 4.45Å; F414-I592 HydrophobicContact CZ-CG2 3.77Å; F414-C594 HydrophobicContact CE1-CB 4.42Å; F414-C594 HydrophobicContact CZ-CB 3.77Å; F414-W607 AromaticContact CD1-CH2 3.92Å; F414-W607 HydrophobicContact CD1-CH2 3.92Å; F414-W607 HydrophobicContact CD1-CZ3 4.05Å; F414-W607 AromaticContact CE1-CH2 3.45Å; F414-W607 HydrophobicContact CE1-CH2 3.45Å; F414-W607 VanDerWaalsContact CE1-CH2 3.45Å; F414-W607 AromaticContact CE1-CZ3 3.47Å; F414-W607 HydrophobicContact CE1-CZ3 3.47Å; F414-W607 VanDerWaalsContact CE1-CZ3 3.47Å; F414-W607 HydrophobicContact CZ-CZ3 4.38Å
415	L	84.9	Confident	77.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.2	-177.6	179.1	72.6	0	0	0	109.2	Q405 H406 K417 V424 I425 F436 L605	Q405-L415 VanDerWaalsContact CA-O 3.28Å; Q405-L415 WeakPolarHBondContact CA-O 3.26Å; Q405-L415 WeakPolarHBondContact CG-O 3.25Å; H406-L415 HydrophobicContact CB-CB 4.28Å; H406-L415 PolarHBondContact N-O 2.97Å; H406-L415 PolarHBondContact O-N 2.89Å; H406-L415 VanDerWaalsContact O-N 3.11Å; L415-K417 HydrophobicContact CD2-CB 4.22Å; L415-K417 HydrophobicContact CG-CB 4.33Å; L415-V424 CarbonylContact C-O 3.51Å; L415-V424 WeakPolarHBondContact CA-O 3.48Å; L415-I425 HydrophobicContact CD1-CD1 4.43Å; L415-I425 HydrophobicContact CD1-CG1 3.57Å; L415-F436 HydrophobicContact CD1-CE1 3.86Å; L415-F436 HydrophobicContact CD1-CZ 3.95Å; L415-L605 HydrophobicContact CD1-CD1 4.13Å; L415-L605 HydrophobicContact CD2-CD1 3.58Å
416	R	77	Confident	77.9	Confident	34 Å²	34	33.3 Å²	33.3	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.6	154.4	-166.6	-178.9	-63.3	137.1	4.7	110	M245 F403 I404 Q405 Y418 G423 V424 F426	M245-R416 PolarHBondContact SD-NH1 3.35Å; M245-R416 PolarHBondContact SD-NH2 2.8Å; F403-R416 HydrophobicContact CB-CG 4.25Å; F403-R416 HydrophobicContact CD2-CG 3.72Å; F403-R416 HydrophobicContact CE2-CG 4.39Å; F403-R416 HydrophobicContact CG-CG 4.12Å; I404-R416 WeakPolarHBondContact O-CA 3.3Å; Q405-R416 VanDerWaalsContact OE1-CZ 3.27Å; R416-Y418 WeakPolarHBondContact CD-OH 3.3Å; R416-Y418 HydrophobicContact CG-CE2 3.98Å; R416-G423 CarbonylContact O-C 3.52Å; R416-G423 WeakPolarHBondContact O-CA 3.46Å; R416-V424 PolarHBondContact N-O 2.61Å; R416-V424 PolarHBondContact O-N 2.94Å; R416-F426 HydrophobicContact CB-CE2 4.49Å
417	K	81.2	Confident	78	Confident	29 Å²	29	32.1 Å²	32.1	13%	0.126	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.3	-179.7	169.6	-174.2	168.2	-172.3	0	108.7	F403 I404 L415 F436 L603 E615	F403-K417 CarbonylContact C-O 3.51Å; F403-K417 VanDerWaalsContact CA-O 3.24Å; F403-K417 WeakPolarHBondContact CA-O 3.39Å; F403-K417 WeakPolarHBondContact CB-O 3.3Å; I404-K417 HydrophobicContact CB-CB 4.42Å; I404-K417 HydrophobicContact CD1-CD 4.42Å; I404-K417 PolarHBondContact N-O 2.91Å; I404-K417 PolarHBondContact O-N 3.35Å; L415-K417 HydrophobicContact CD2-CB 4.22Å; L415-K417 HydrophobicContact CG-CB 4.33Å; K417-F436 HydrophobicContact CB-CZ 4.26Å; K417-L603 HydrophobicContact CD-CD2 4.06Å; K417-L603 HydrophobicContact CG-CD2 4.34Å; K417-E615 VanDerWaalsContact NZ-CD 3.29Å; K417-E615 IonicContact NZ-OE1 2.71Å; K417-E615 PolarHBondContact NZ-OE1 2.83Å; K417-E615 IonicContact NZ-OE2 3.92Å; K417-E615 PolarHBondContact NZ-OE2 2.85Å; K417-E615 VanDerWaalsContact NZ-OE2 3.11Å
418	Y	72.4	Confident	78	Confident	21 Å²	21	30.2 Å²	30.2	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	155.9	-179.6	-64.4	-93.3	0	0	0	111.1	L238 F403 R416 D420 N421 T422	L238-Y418 HydrophobicContact CD1-CD2 3.61Å; L238-Y418 HydrophobicContact CD1-CE2 3.2Å; L238-Y418 HydrophobicContact CD1-CG 4.48Å; F403-Y418 HydrophobicContact CB-CD1 3.76Å; F403-Y418 HydrophobicContact CB-CE1 4Å; F403-Y418 HydrophobicContact CB-CG 4.29Å; F403-Y418 HydrophobicContact CD1-CE1 4.27Å; F403-Y418 HydrophobicContact CG-CE1 4.36Å; R416-Y418 WeakPolarHBondContact CD-OH 3.3Å; R416-Y418 HydrophobicContact CG-CE2 3.98Å; Y418-D420 WeakPolarHBondContact CB-OD1 3.48Å; Y418-D420 PolarHBondContact O-N 3.25Å; Y418-N421 PolarHBondContact O-N 2.84Å; Y418-T422 PolarHBondContact N-O 2.81Å
419	N	69.7	Low	77.6	Confident	99 Å²	99	33 Å²	33	53%	0.529	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	6.3	-177.9	-73.5	11.3	0	0	0	115.3	D402	D402-N419 WeakPolarHBondContact CB-ND2 3.37Å; D402-N419 PolarHBondContact O-OD1 3.28Å
420	D	64.4	Low	77.2	Confident	36 Å²	36	28.8 Å²	28.8	19%	0.193	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	13.7	169.6	60.5	9.8	0	0	0	113.3	R234 Y418 T422 P438	R234-D420 WeakPolarHBondContact CB-OD2 3.49Å; Y418-D420 WeakPolarHBondContact CB-OD1 3.48Å; Y418-D420 PolarHBondContact O-N 3.25Å; D420-T422 PolarHBondContact O-N 2.87Å; D420-T422 VanDerWaalsContact OD1-CB 3.29Å; D420-T422 WeakPolarHBondContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T422 PolarHBondContact OD1-N 3.07Å; D420-T422 PolarHBondContact OD1-OG1 3.32Å; D420-P438 WeakPolarHBondContact O-CG 3.29Å
421	N	68.5	Low	76.9	Confident	54 Å²	54	25 Å²	25	29%	0.289	14%	0.144	S	C	.	.	S	Bend	trans	64.2	12.4	-173.5	-58.9	-57.3	0	0	0	115	Y418 F436 L451	Y418-N421 PolarHBondContact O-N 2.84Å; N421-F436 WeakPolarHBondContact O-CD2 3.46Å; N421-L451 HydrophobicContact CB-CD2 4.48Å
422	T	73	Confident	77	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.031	12%	0.117	C	C	.	.			trans	-80.3	157.8	164.6	68.2	0	0	0	0	111.2	L238 Y418 D420 F436 L437 P438	L238-T422 HydrophobicContact CD2-CG2 4.04Å; Y418-T422 PolarHBondContact N-O 2.81Å; D420-T422 PolarHBondContact O-N 2.87Å; D420-T422 VanDerWaalsContact OD1-CB 3.29Å; D420-T422 WeakPolarHBondContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T422 PolarHBondContact OD1-N 3.07Å; D420-T422 PolarHBondContact OD1-OG1 3.32Å; T422-F436 VanDerWaalsContact C-CE2 3.43Å; T422-F436 CarbonylContact C-O 3.51Å; T422-F436 WeakPolarHBondContact CA-O 3.38Å; T422-L437 HydrophobicContact CG2-CD2 3.66Å; T422-P438 HydrophobicContact CG2-CG 4.46Å
423	G	75.1	Confident	77.5	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	179.2	171.7	0	0	0	0	0	115.2	R416 F436	R416-G423 CarbonylContact O-C 3.52Å; R416-G423 WeakPolarHBondContact O-CA 3.46Å; G423-F436 VanDerWaalsContact CA-CZ 3.4Å; G423-F436 PolarHBondContact N-O 2.84Å; G423-F436 PolarHBondContact O-N 2.93Å
424	V	82.3	Confident	78	Confident	4 Å²	4	18.3 Å²	18.3	2%	0.024	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129	-172.9	-176.5	0	0	0	0	110.1	Y242 L415 R416 F426 P432 I434 L435	Y242-V424 HydrophobicContact CD2-CG2 3.88Å; Y242-V424 HydrophobicContact CE2-CG1 4.22Å; Y242-V424 HydrophobicContact CE2-CG2 3.86Å; L415-V424 CarbonylContact C-O 3.51Å; L415-V424 WeakPolarHBondContact CA-O 3.48Å; R416-V424 PolarHBondContact N-O 2.61Å; R416-V424 PolarHBondContact O-N 2.94Å; V424-F426 HydrophobicContact CB-CD2 4.37Å; V424-F426 HydrophobicContact CB-CE2 3.72Å; V424-F426 HydrophobicContact CB-CZ 3.83Å; V424-F426 HydrophobicContact CG1-CD1 4.08Å; V424-F426 HydrophobicContact CG1-CD2 3.9Å; V424-F426 HydrophobicContact CG1-CE1 3.78Å; V424-F426 HydrophobicContact CG1-CE2 3.59Å; V424-F426 HydrophobicContact CG1-CG 4.12Å; V424-F426 HydrophobicContact CG1-CZ 3.53Å; V424-P432 HydrophobicContact CG1-CB 4.1Å; V424-I434 CarbonylContact C-O 3.52Å; V424-I434 WeakPolarHBondContact CA-O 3.34Å; V424-L435 HydrophobicContact CG2-CD1 3.74Å
425	I	88.1	Confident	78	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.7	156.5	-67.3	172.6	0	0	0	108.3	F414 L415 A433 I434 F436 F587 L596	F414-I425 HydrophobicContact CD2-CG2 4.05Å; F414-I425 HydrophobicContact CE2-CB 4.48Å; F414-I425 HydrophobicContact CE2-CG1 4.41Å; F414-I425 HydrophobicContact CE2-CG2 3.41Å; F414-I425 VanDerWaalsContact CE2-CG2 3.41Å; F414-I425 HydrophobicContact CZ-CD1 4.18Å; F414-I425 HydrophobicContact CZ-CG1 4.19Å; F414-I425 HydrophobicContact CZ-CG2 4.01Å; F414-I425 CarbonylContact O-C 3.57Å; F414-I425 VanDerWaalsContact O-CA 3.29Å; F414-I425 WeakPolarHBondContact O-CA 3.46Å; L415-I425 HydrophobicContact CD1-CD1 4.43Å; L415-I425 HydrophobicContact CD1-CG1 3.57Å; I425-A433 HydrophobicContact CG2-CB 4.46Å; I425-A433 WeakPolarHBondContact O-CA 3.5Å; I425-A433 WeakPolarHBondContact O-CB 3.35Å; I425-A433 PolarHBondContact O-N 3.09Å; I425-I434 HydrophobicContact CB-CB 4.19Å; I425-I434 HydrophobicContact CD1-CD1 4.46Å; I425-I434 PolarHBondContact N-O 2.84Å; I425-I434 PolarHBondContact O-N 3.01Å; I425-F436 HydrophobicContact CG1-CE1 4.45Å; I425-F587 HydrophobicContact CG2-CD1 4.4Å; I425-F587 HydrophobicContact CG2-CD2 3.82Å; I425-F587 HydrophobicContact CG2-CE1 4.24Å; I425-F587 HydrophobicContact CG2-CE2 3.65Å; I425-F587 HydrophobicContact CG2-CG 4.22Å; I425-F587 HydrophobicContact CG2-CZ 3.88Å; I425-L596 HydrophobicContact CD1-CD1 3.95Å; I425-L596 HydrophobicContact CD1-CD2 3.94Å; I425-L596 HydrophobicContact CD1-CG 4.33Å
426	F	81.7	Confident	78	Confident	7 Å²	7	18.5 Å²	18.5	3%	0.031	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	163.2	175.4	-56	-99.5	0	0	0	110.3	M245 Y408 V413 F414 R416 V424 N431 P432 F587	M245-F426 HydrophobicContact SD-CZ 4.42Å; Y408-F426 PolarHBondContact OH-O 3.02Å; V413-F426 HydrophobicContact CB-CD2 4.28Å; V413-F426 HydrophobicContact CB-CE2 4.49Å; V413-F426 HydrophobicContact CG1-CD2 3.84Å; V413-F426 HydrophobicContact CG1-CE2 3.87Å; V413-F426 WeakPolarHBondContact O-CB 3.09Å; F414-F426 PolarHBondContact O-N 2.85Å; R416-F426 HydrophobicContact CB-CE2 4.49Å; V424-F426 HydrophobicContact CB-CD2 4.37Å; V424-F426 HydrophobicContact CB-CE2 3.72Å; V424-F426 HydrophobicContact CB-CZ 3.83Å; V424-F426 HydrophobicContact CG1-CD1 4.08Å; V424-F426 HydrophobicContact CG1-CD2 3.9Å; V424-F426 HydrophobicContact CG1-CE1 3.78Å; V424-F426 HydrophobicContact CG1-CE2 3.59Å; V424-F426 HydrophobicContact CG1-CG 4.12Å; V424-F426 HydrophobicContact CG1-CZ 3.53Å; F426-N431 CarbonylContact C-O 3.58Å; F426-N431 VanDerWaalsContact CA-O 3.31Å; F426-N431 WeakPolarHBondContact CA-O 3.45Å; F426-N431 WeakPolarHBondContact CB-O 3.42Å; F426-P432 HydrophobicContact CD1-CB 4.22Å; F426-P432 HydrophobicContact CE1-CB 4.38Å; F426-F587 VanDerWaalsContact O-CZ 3.26Å; F426-F587 WeakPolarHBondContact O-CZ 3.39Å
427	Y	85	Confident	78	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.			trans	-77.8	162.4	166.6	-70.3	-60.9	0	0	0	111.5	Y408 T429 G430 N431 A433 H456 L458 N570 I572 I573 F587	Y408-Y427 VanDerWaalsContact CE2-C 3.5Å; Y427-T429 PolarHBondContact O-N 3.09Å; Y427-G430 WeakPolarHBondContact O-CA 3.43Å; Y427-G430 PolarHBondContact O-N 3.46Å; Y427-N431 HydrophobicContact CD2-CB 4.23Å; Y427-N431 PolarHBondContact N-O 2.78Å; Y427-A433 HydrophobicContact CD1-CB 3.92Å; Y427-A433 HydrophobicContact CD2-CB 3.59Å; Y427-A433 HydrophobicContact CE1-CB 3.7Å; Y427-A433 HydrophobicContact CE2-CB 3.38Å; Y427-A433 HydrophobicContact CG-CB 3.86Å; Y427-A433 VanDerWaalsContact CZ-CB 3.43Å; Y427-H456 PolarHBondContact OH-O 2.99Å; Y427-L458 HydrophobicContact CD2-CB 4.27Å; Y427-L458 HydrophobicContact CD2-CD1 3.81Å; Y427-L458 HydrophobicContact CE2-CB 4.11Å; Y427-L458 HydrophobicContact CE2-CD1 4.49Å; Y427-L458 HydrophobicContact CG-CD1 3.94Å; Y427-N570 PolarHBondContact OH-ND2 2.77Å; Y427-I572 HydrophobicContact CD1-CB 4.33Å; Y427-I572 HydrophobicContact CD1-CD1 3.64Å; Y427-I572 HydrophobicContact CD1-CG2 4.04Å; Y427-I572 HydrophobicContact CE1-CB 3.93Å; Y427-I572 HydrophobicContact CE1-CD1 4.04Å; Y427-I572 HydrophobicContact CE1-CG2 3.81Å; Y427-I573 HydrophobicContact CE1-CD1 4.17Å; Y427-I573 HydrophobicContact CE1-CG1 4.24Å; Y427-I573 WeakPolarHBondContact OH-CD1 2.99Å; Y427-F587 AromaticContact CD1-CE2 3.89Å; Y427-F587 HydrophobicContact CD1-CE2 3.89Å; Y427-F587 HydrophobicContact CD1-CZ 4.06Å; Y427-F587 AromaticContact CE1-CE2 3.84Å; Y427-F587 HydrophobicContact CE1-CE2 3.84Å; Y427-F587 HydrophobicContact CE1-CZ 4.43Å
428	P	82.5	Confident	77.6	Confident	20 Å²	20	18 Å²	18	13%	0.13	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.9	176.1	-21.8	33.2	0	0	0	114.3	Y408 N410 G430 T589 M590	Y408-P428 HydrophobicContact CD1-CG 4.46Å; Y408-P428 HydrophobicContact CD2-CB 4.47Å; Y408-P428 HydrophobicContact CE1-CB 4.34Å; Y408-P428 HydrophobicContact CE1-CG 3.84Å; Y408-P428 VanDerWaalsContact CE2-CA 3.42Å; Y408-P428 HydrophobicContact CE2-CB 4.24Å; Y408-P428 HydrophobicContact CE2-CG 4.24Å; Y408-P428 VanDerWaalsContact OH-CD 3.3Å; Y408-P428 WeakPolarHBondContact OH-CD 3.45Å; N410-P428 PolarHBondContact ND2-O 3.32Å; P428-G430 VanDerWaalsContact C-N 3.28Å; P428-T589 HydrophobicContact CG-CG2 3.42Å; P428-T589 VanDerWaalsContact CG-CG2 3.42Å; P428-T589 WeakPolarHBondContact CG-OG1 3.32Å; P428-M590 HydrophobicContact CB-CG 4.46Å; P428-M590 HydrophobicContact CB-SD 3.85Å; P428-M590 HydrophobicContact CG-CG 4.25Å; P428-M590 HydrophobicContact CG-SD 4.21Å
429	T	73.5	Confident	77.3	Confident	63 Å²	63	18.4 Å²	18.4	39%	0.387	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.9	171.6	56.2	0	0	0	0	112.2	R249 Y427 N431 L458	R249-T429 PolarHBondContact NH1-O 2.9Å; R249-T429 VanDerWaalsContact NH2-C 3.3Å; R249-T429 PolarHBondContact NH2-O 3.2Å; Y427-T429 PolarHBondContact O-N 3.09Å; T429-N431 PolarHBondContact OG1-N 2.92Å; T429-N431 PolarHBondContact OG1-ND2 2.93Å; T429-L458 HydrophobicContact CG2-CD1 3.96Å; T429-L458 WeakPolarHBondContact OG1-CD1 3.48Å
430	G	70.3	Confident	76.9	Confident	3 Å²	3	18.4 Å²	18.4	3%	0.031	10%	0.104	C	C	.	.	S	Bend	trans	98.5	3.7	-169.1	0	0	0	0	0	114.9	R249 E412 Y427 P428	R249-G430 WeakPolarHBondContact CD-O 3.25Å; R249-G430 VanDerWaalsContact NE-C 3.32Å; R249-G430 PolarHBondContact NE-O 2.92Å; E412-G430 VanDerWaalsContact OE2-CA 3.25Å; E412-G430 WeakPolarHBondContact OE2-CA 3.4Å; Y427-G430 WeakPolarHBondContact O-CA 3.43Å; Y427-G430 PolarHBondContact O-N 3.46Å; P428-G430 VanDerWaalsContact C-N 3.28Å
431	N	71.8	Confident	76.4	Confident	7 Å²	7	18.9 Å²	18.9	4%	0.037	11%	0.106	C	C	.	.			trans	-77.2	142	172.8	-62.7	-25.1	0	0	0	110.2	R249 Q253 F426 Y427 T429 L458	R249-N431 VanDerWaalsContact CZ-OD1 3.26Å; R249-N431 PolarHBondContact NE-OD1 2.81Å; R249-N431 PolarHBondContact NH2-OD1 2.87Å; Q253-N431 PolarHBondContact NE2-OD1 3.22Å; F426-N431 CarbonylContact C-O 3.58Å; F426-N431 VanDerWaalsContact CA-O 3.31Å; F426-N431 WeakPolarHBondContact CA-O 3.45Å; F426-N431 WeakPolarHBondContact CB-O 3.42Å; Y427-N431 HydrophobicContact CD2-CB 4.23Å; Y427-N431 PolarHBondContact N-O 2.78Å; T429-N431 PolarHBondContact OG1-N 2.92Å; T429-N431 PolarHBondContact OG1-ND2 2.93Å; N431-L458 HydrophobicContact CB-CD1 4.45Å
432	P	78.6	Confident	75.7	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	142.4	176.3	29.4	-36.7	0	0	0	111.6	Y242 L246 V424 F426 V504	Y242-P432 HydrophobicContact CE2-CB 4.01Å; Y242-P432 HydrophobicContact CE2-CG 4.49Å; Y242-P432 WeakPolarHBondContact OH-CB 3.49Å; Y242-P432 WeakPolarHBondContact OH-CG 3.4Å; L246-P432 HydrophobicContact CD2-CG 4.1Å; V424-P432 HydrophobicContact CG1-CB 4.1Å; F426-P432 HydrophobicContact CD1-CB 4.22Å; F426-P432 HydrophobicContact CE1-CB 4.38Å; P432-V504 HydrophobicContact CG-CG1 4.15Å; P432-V504 HydrophobicContact CG-CG2 4.12Å
433	A	86.1	Confident	74.7	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-52.1	-172.6	0	0	0	0	0	113	I425 Y427 V455 H456 I573 F587	I425-A433 HydrophobicContact CG2-CB 4.46Å; I425-A433 WeakPolarHBondContact O-CA 3.5Å; I425-A433 WeakPolarHBondContact O-CB 3.35Å; I425-A433 PolarHBondContact O-N 3.09Å; Y427-A433 HydrophobicContact CD1-CB 3.92Å; Y427-A433 HydrophobicContact CD2-CB 3.59Å; Y427-A433 HydrophobicContact CE1-CB 3.7Å; Y427-A433 HydrophobicContact CE2-CB 3.38Å; Y427-A433 HydrophobicContact CG-CB 3.86Å; Y427-A433 VanDerWaalsContact CZ-CB 3.43Å; A433-V455 WeakPolarHBondContact O-CA 3.24Å; A433-H456 PolarHBondContact O-N 3.31Å; A433-I573 HydrophobicContact CB-CD1 4.32Å; A433-F587 HydrophobicContact CB-CE2 3.74Å
434	I	88.5	Confident	73.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	113.6	176.1	-49.7	173.7	0	0	0	108.5	V424 I425 F453 I454 V455 I573 L585 F587 L596	V424-I434 CarbonylContact C-O 3.52Å; V424-I434 WeakPolarHBondContact CA-O 3.34Å; I425-I434 HydrophobicContact CB-CB 4.19Å; I425-I434 HydrophobicContact CD1-CD1 4.46Å; I425-I434 PolarHBondContact N-O 2.84Å; I425-I434 PolarHBondContact O-N 3.01Å; I434-F453 HydrophobicContact CG2-CD1 4.44Å; I434-I454 WeakPolarHBondContact CA-O 3.38Å; I434-V455 HydrophobicContact CG1-CG1 4.49Å; I434-V455 HydrophobicContact CG1-CG2 4.27Å; I434-V455 HydrophobicContact CG2-CG2 4.26Å; I434-I573 HydrophobicContact CD1-CD1 4.06Å; I434-I573 HydrophobicContact CG1-CD1 3.77Å; I434-L585 HydrophobicContact CD1-CB 4.48Å; I434-L585 HydrophobicContact CD1-CD1 4.04Å; I434-L585 HydrophobicContact CG2-CD1 4.4Å; I434-F587 HydrophobicContact CD1-CB 4.43Å; I434-F587 HydrophobicContact CD1-CD2 4.17Å; I434-L596 HydrophobicContact CD1-CD1 3.9Å; I434-L596 HydrophobicContact CD1-CD2 4.47Å; I434-L596 HydrophobicContact CG2-CD2 4.33Å
435	L	83.6	Confident	72.6	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.3	166.8	170.3	77.4	0	0	0	108.4	F164 V424 L437 F453 I454	F164-L435 HydrophobicContact CD1-CD2 3.67Å; F164-L435 HydrophobicContact CE1-CD1 4.05Å; F164-L435 HydrophobicContact CE1-CD2 3.54Å; F164-L435 HydrophobicContact CE1-CG 4.45Å; V424-L435 HydrophobicContact CG2-CD1 3.74Å; L435-L437 HydrophobicContact CD1-CD2 4.15Å; L435-L437 HydrophobicContact CD1-CG 4.31Å; L435-L437 HydrophobicContact CD2-CD1 4.09Å; L435-L437 HydrophobicContact CD2-CG 4.36Å; L435-L437 HydrophobicContact CG-CD1 4.46Å; L435-L437 HydrophobicContact CG-CG 4.17Å; L435-F453 CarbonylContact O-C 3.53Å; L435-F453 WeakPolarHBondContact O-CA 3.33Å; L435-I454 HydrophobicContact CB-CB 4.3Å; L435-I454 HydrophobicContact CD2-CB 4.32Å; L435-I454 HydrophobicContact CD2-CD1 4.01Å; L435-I454 HydrophobicContact CD2-CG1 4.22Å; L435-I454 PolarHBondContact N-O 3.42Å; L435-I454 PolarHBondContact O-N 3.37Å
436	F	84.8	Confident	70.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.9	171.6	53.6	-95.2	0	0	0	111.1	L415 K417 N421 T422 G423 I425 L452 F453 L603	L415-F436 HydrophobicContact CD1-CE1 3.86Å; L415-F436 HydrophobicContact CD1-CZ 3.95Å; K417-F436 HydrophobicContact CB-CZ 4.26Å; N421-F436 WeakPolarHBondContact O-CD2 3.46Å; T422-F436 VanDerWaalsContact C-CE2 3.43Å; T422-F436 CarbonylContact C-O 3.51Å; T422-F436 WeakPolarHBondContact CA-O 3.38Å; G423-F436 VanDerWaalsContact CA-CZ 3.4Å; G423-F436 PolarHBondContact N-O 2.84Å; G423-F436 PolarHBondContact O-N 2.93Å; I425-F436 HydrophobicContact CG1-CE1 4.45Å; F436-L452 WeakPolarHBondContact CA-O 3.35Å; F436-F453 HydrophobicContact CB-CD1 3.74Å; F436-F453 HydrophobicContact CB-CE1 3.92Å; F436-L603 HydrophobicContact CB-CD1 4.24Å; F436-L603 HydrophobicContact CD1-CD1 4.12Å; F436-L603 HydrophobicContact CD2-CD1 3.73Å; F436-L603 HydrophobicContact CD2-CD2 3.86Å; F436-L603 HydrophobicContact CD2-CG 4.36Å; F436-L603 HydrophobicContact CE1-CD1 4.42Å; F436-L603 HydrophobicContact CE1-CD2 4.21Å; F436-L603 HydrophobicContact CE2-CD1 4.08Å; F436-L603 HydrophobicContact CE2-CD2 3.32Å; F436-L603 HydrophobicContact CE2-CG 4.28Å; F436-L603 HydrophobicContact CG-CD1 3.76Å; F436-L603 HydrophobicContact CZ-CD1 4.41Å; F436-L603 HydrophobicContact CZ-CD2 3.52Å
437	L	78	Confident	69.6	Low	13 Å²	13	46.1 Å²	46.1	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.9	-174.4	-61.6	174.8	0	0	0	110.3	F164 L235 L238 T422 L435 S439 L451 L452	F164-L437 HydrophobicContact CB-CD1 4.15Å; F164-L437 HydrophobicContact CD1-CD1 3.81Å; F164-L437 HydrophobicContact CD2-CD1 4.38Å; F164-L437 HydrophobicContact CE1-CD1 4.25Å; F164-L437 HydrophobicContact CG-CD1 3.87Å; L235-L437 HydrophobicContact CD1-CD2 4.42Å; L238-L437 HydrophobicContact CD2-CD2 3.77Å; T422-L437 HydrophobicContact CG2-CD2 3.66Å; L435-L437 HydrophobicContact CD1-CD2 4.15Å; L435-L437 HydrophobicContact CD1-CG 4.31Å; L435-L437 HydrophobicContact CD2-CD1 4.09Å; L435-L437 HydrophobicContact CD2-CG 4.36Å; L435-L437 HydrophobicContact CG-CD1 4.46Å; L435-L437 HydrophobicContact CG-CG 4.17Å; L437-S439 PolarHBondContact O-N 2.87Å; L437-L451 CarbonylContact O-C 3.19Å; L437-L451 WeakPolarHBondContact O-CA 3.33Å; L437-L452 PolarHBondContact N-O 3.34Å; L437-L452 PolarHBondContact O-N 3.07Å
438	P	72.7	Confident	68.3	Low	38 Å²	38	48.3 Å²	48.3	25%	0.247	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	125.1	158.4	-25.9	36.7	0	0	0	111.3	D420 T422 P448	D420-P438 WeakPolarHBondContact O-CG 3.29Å; T422-P438 HydrophobicContact CG2-CG 4.46Å; P438-P448 HydrophobicContact CB-CB 4.06Å
439	S	64.8	Low	67.5	Low	30 Å²	30	49.3 Å²	49.3	21%	0.21	27%	0.272	C	S	.	.			trans	-77.2	-51.3	-179.7	-167.4	0	0	0	0	111	L437 G450 D512	L437-S439 PolarHBondContact O-N 2.87Å; S439-G450 PolarHBondContact N-O 2.87Å; S439-D512 PolarHBondContact OG-OD2 3.41Å
440	E	60.7	Low	67.5	Low	100 Å²	100	46.3 Å²	46.3	47%	0.467	25%	0.254	S	S	.	.			trans	-136.7	153.9	-178.7	-68.8	-177.3	162.3	0	0	110.6	P448 V449	E440-P448 CarbonylContact O-C 3.58Å; E440-P448 WeakPolarHBondContact O-CA 3.46Å; E440-V449 HydrophobicContact CB-CB 4.09Å; E440-V449 HydrophobicContact CB-CG2 4.41Å; E440-V449 PolarHBondContact O-N 2.82Å
441	I	55.1	Low	67.9	Low	46 Å²	46	46.2 Å²	46.2	24%	0.236	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.4	127.4	176.5	-69.1	169.8	0	0	0	108.5	F207 T443	F207-I441 HydrophobicContact CD1-CD1 3.4Å; F207-I441 HydrophobicContact CE1-CD1 3.76Å; I441-T443 PolarHBondContact O-N 2.81Å
442	N	53.3	Low	68.3	Low	61 Å²	61	47.1 Å²	47.1	33%	0.326	26%	0.257	S	S	.	.			trans	-69.6	119.1	174.7	-173.9	-27.5	0	0	0	109.4	N444 N446 E447 V449	N442-N444 PolarHBondContact O-N 2.93Å; N442-N444 VanDerWaalsContact O-N 3.13Å; N442-N444 WeakPolarHBondContact OD1-CB 3.38Å; N442-N444 PolarHBondContact OD1-N 2.85Å; N442-N446 VanDerWaalsContact O-CA 3.27Å; N442-N446 WeakPolarHBondContact O-CA 3.44Å; N442-N446 PolarHBondContact O-N 2.84Å; N442-E447 PolarHBondContact N-O 2.84Å; N442-V449 HydrophobicContact CB-CG2 3.77Å
443	T	53.1	Low	68.7	Low	127 Å²	127	47.1 Å²	47.1	78%	0.779	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.4	179.9	48.2	0	0	0	0	113.9	I441	I441-T443 PolarHBondContact O-N 2.81Å
444	N	55.8	Low	68.6	Low	131 Å²	131	47.3 Å²	47.3	70%	0.701	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-43.9	-169.8	-55	-2.6	0	0	0	111.4	N442	N442-N444 PolarHBondContact O-N 2.93Å; N442-N444 VanDerWaalsContact O-N 3.13Å; N442-N444 WeakPolarHBondContact OD1-CB 3.38Å; N442-N444 PolarHBondContact OD1-N 2.85Å
445	N	57.7	Low	68.6	Low	111 Å²	111	47.3 Å²	47.3	59%	0.594	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-5.1	-175.6	-69.4	21.3	0	0	0	113.3	E447	N445-E447 HydrophobicContact CB-CG 4.47Å; N445-E447 PolarHBondContact O-N 2.92Å; N445-E447 VanDerWaalsContact O-N 3.13Å
446	N	52.3	Low	68.5	Low	86 Å²	86	47.2 Å²	47.2	46%	0.46	26%	0.257	S	S	.	.			trans	62.3	11.5	-176.4	-109.1	-26.6	0	0	0	114.8	R231 N442	R231-N446 PolarHBondContact NH1-O 3.02Å; R231-N446 PolarHBondContact NH1-OD1 3.24Å; R231-N446 PolarHBondContact NH2-O 2.61Å; N442-N446 VanDerWaalsContact O-CA 3.27Å; N442-N446 WeakPolarHBondContact O-CA 3.44Å; N442-N446 PolarHBondContact O-N 2.84Å
447	E	53.9	Low	68.4	Low	125 Å²	125	47.7 Å²	47.7	58%	0.584	26%	0.26	S	S	*	.			trans	-87.3	150.9	179	-67.4	-166.6	123	0	0	112.9	N442 N445 V449	N442-E447 PolarHBondContact N-O 2.84Å; N445-E447 HydrophobicContact CB-CG 4.47Å; N445-E447 PolarHBondContact O-N 2.92Å; N445-E447 VanDerWaalsContact O-N 3.13Å; E447-V449 PolarHBondContact O-N 3.32Å
448	P	56.8	Low	68.2	Low	46 Å²	46	48.8 Å²	48.8	30%	0.299	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-68.7	124.4	171.7	30.1	-34.4	0	0	0	110.3	P438 E440 G450	P438-P448 HydrophobicContact CB-CB 4.06Å; E440-P448 CarbonylContact O-C 3.58Å; E440-P448 WeakPolarHBondContact O-CA 3.46Å; P448-G450 VanDerWaalsContact C-N 3.33Å
449	V	65.8	Low	67.7	Low	42 Å²	42	48.1 Å²	48.1	26%	0.255	26%	0.26	S	S	.	.			trans	-77.6	-24.5	-179.3	-177.6	0	0	0	0	111.3	E440 N442 E447 K601	E440-V449 HydrophobicContact CB-CB 4.09Å; E440-V449 HydrophobicContact CB-CG2 4.41Å; E440-V449 PolarHBondContact O-N 2.82Å; N442-V449 HydrophobicContact CB-CG2 3.77Å; E447-V449 PolarHBondContact O-N 3.32Å; V449-K601 VanDerWaalsContact O-CD 3.24Å; V449-K601 WeakPolarHBondContact O-CD 3.33Å; V449-K601 WeakPolarHBondContact O-CE 3.4Å; V449-K601 VanDerWaalsContact O-CG 3.3Å; V449-K601 WeakPolarHBondContact O-CG 3.37Å; V449-K601 PolarHBondContact O-NZ 2.97Å
450	G	74.7	Confident	67.1	Low	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.			trans	-169.8	176.4	-176.5	0	0	0	0	0	112.8	S439 P448 S513	S439-G450 PolarHBondContact N-O 2.87Å; P448-G450 VanDerWaalsContact C-N 3.33Å; G450-S513 WeakPolarHBondContact CA-OG 3.37Å
451	L	78.8	Confident	66.2	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.3	-179.9	-70.1	173.9	0	0	0	111.6	N421 L437 F453 D512 S513 Q602 L603	N421-L451 HydrophobicContact CB-CD2 4.48Å; L437-L451 CarbonylContact O-C 3.19Å; L437-L451 WeakPolarHBondContact O-CA 3.33Å; L451-F453 HydrophobicContact CB-CD2 4.45Å; L451-F453 HydrophobicContact CB-CE2 3.71Å; L451-F453 HydrophobicContact CB-CZ 4.05Å; L451-F453 HydrophobicContact CD1-CZ 4.19Å; L451-D512 WeakPolarHBondContact O-CA 3.28Å; L451-S513 PolarHBondContact N-OG 3.21Å; L451-S513 PolarHBondContact O-N 3.46Å; L451-Q602 VanDerWaalsContact CD1-C 3.43Å; L451-L603 HydrophobicContact CD1-CB 4.02Å; L451-L603 VanDerWaalsContact CD1-N 3.35Å
452	L	79.8	Confident	65	Low	26 Å²	26	54.9 Å²	54.9	14%	0.136	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.2	171.2	-177.1	69.7	0	0	0	109.4	I128 W131 F436 L437 I454 V510 F511	I128-L452 HydrophobicContact CG2-CD1 4.5Å; W131-L452 HydrophobicContact CE3-CD1 4.39Å; W131-L452 HydrophobicContact CZ3-CD1 4.21Å; F436-L452 WeakPolarHBondContact CA-O 3.35Å; L437-L452 PolarHBondContact N-O 3.34Å; L437-L452 PolarHBondContact O-N 3.07Å; L452-I454 HydrophobicContact CD2-CD1 4.34Å; L452-I454 HydrophobicContact CD2-CG1 4.43Å; L452-I454 HydrophobicContact CG-CG1 4.38Å; L452-V510 HydrophobicContact CD1-CG1 3.64Å; L452-V510 HydrophobicContact CG-CG1 4.32Å; L452-F511 CarbonylContact C-O 3.14Å; L452-F511 WeakPolarHBondContact CA-O 3.37Å
453	F	87	Confident	63.8	Low	1 Å²	1	57.5 Å²	57.5	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	177.2	-59.9	-97.7	0	0	0	109.6	I434 L435 F436 L451 V510 F511 L596 L598 L603	I434-F453 HydrophobicContact CG2-CD1 4.44Å; L435-F453 CarbonylContact O-C 3.53Å; L435-F453 WeakPolarHBondContact O-CA 3.33Å; F436-F453 HydrophobicContact CB-CD1 3.74Å; F436-F453 HydrophobicContact CB-CE1 3.92Å; L451-F453 HydrophobicContact CB-CD2 4.45Å; L451-F453 HydrophobicContact CB-CE2 3.71Å; L451-F453 HydrophobicContact CB-CZ 4.05Å; L451-F453 HydrophobicContact CD1-CZ 4.19Å; F453-V510 CarbonylContact O-C 3.57Å; F453-V510 VanDerWaalsContact O-CA 3.3Å; F453-V510 WeakPolarHBondContact O-CA 3.42Å; F453-V510 WeakPolarHBondContact O-CG1 3.49Å; F453-F511 HydrophobicContact CB-CB 4.43Å; F453-F511 PolarHBondContact N-O 2.84Å; F453-F511 PolarHBondContact O-N 3.42Å; F453-L596 HydrophobicContact CD1-CD2 4.17Å; F453-L596 HydrophobicContact CE1-CD2 3.97Å; F453-L598 HydrophobicContact CB-CD2 3.93Å; F453-L598 HydrophobicContact CD1-CD2 3.92Å; F453-L598 HydrophobicContact CD2-CD2 3.42Å; F453-L598 VanDerWaalsContact CD2-CD2 3.42Å; F453-L598 HydrophobicContact CE1-CD2 4.25Å; F453-L598 HydrophobicContact CE2-CD2 3.79Å; F453-L598 HydrophobicContact CG-CD2 3.48Å; F453-L598 VanDerWaalsContact CG-CD2 3.48Å; F453-L598 HydrophobicContact CZ-CD2 4.19Å; F453-L603 HydrophobicContact CE1-CD1 3.83Å; F453-L603 HydrophobicContact CZ-CD1 4.27Å
454	I	83.8	Confident	62.6	Low	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.6	177.4	-46.4	-165.8	0	0	0	108.6	P165 I434 L435 L452 L507 V510	P165-I454 HydrophobicContact CG-CD1 4.12Å; I434-I454 WeakPolarHBondContact CA-O 3.38Å; L435-I454 HydrophobicContact CB-CB 4.3Å; L435-I454 HydrophobicContact CD2-CB 4.32Å; L435-I454 HydrophobicContact CD2-CD1 4.01Å; L435-I454 HydrophobicContact CD2-CG1 4.22Å; L435-I454 PolarHBondContact N-O 3.42Å; L435-I454 PolarHBondContact O-N 3.37Å; L452-I454 HydrophobicContact CD2-CD1 4.34Å; L452-I454 HydrophobicContact CD2-CG1 4.43Å; L452-I454 HydrophobicContact CG-CG1 4.38Å; I454-L507 HydrophobicContact CG2-CD1 3.46Å; I454-L507 VanDerWaalsContact CG2-CD1 3.46Å; I454-V510 HydrophobicContact CG1-CG1 4.13Å; I454-V510 HydrophobicContact CG2-CG2 4.32Å
455	V	87.9	Confident	61.2	Low	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.3	-174.8	-175.9	0	0	0	0	111	A433 I434 I508 G509 F511 L569 I573 L585	A433-V455 WeakPolarHBondContact O-CA 3.24Å; I434-V455 HydrophobicContact CG1-CG1 4.49Å; I434-V455 HydrophobicContact CG1-CG2 4.27Å; I434-V455 HydrophobicContact CG2-CG2 4.26Å; V455-I508 HydrophobicContact CG1-CB 4.48Å; V455-I508 HydrophobicContact CG1-CD1 4.49Å; V455-I508 PolarHBondContact O-N 2.82Å; V455-G509 PolarHBondContact N-O 3.47Å; V455-G509 PolarHBondContact O-N 2.82Å; V455-F511 HydrophobicContact CG2-CD2 4.19Å; V455-F511 HydrophobicContact CG2-CE2 3.78Å; V455-L569 HydrophobicContact CG1-CD1 4.18Å; V455-I573 HydrophobicContact CG1-CD1 3.74Å; V455-I573 HydrophobicContact CG1-CG2 4.44Å; V455-L585 HydrophobicContact CG2-CD1 3.63Å
456	H	82.6	Confident	59.8	Low	2 Å²	2	62.6 Å²	62.6	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.1	177	-61	-68	0	0	0	111	Y136 Y427 A433 V504 G505 Q506	Y136-H456 AromaticContact CE1-CE1 3.88Å; Y136-H456 AromaticContact CZ-CE1 3.96Å; Y136-H456 PolarHBondContact OH-CE1 2.86Å; Y427-H456 PolarHBondContact OH-O 2.99Å; A433-H456 PolarHBondContact O-N 3.31Å; H456-V504 HydrophobicContact CB-CG1 4.08Å; H456-V504 VanDerWaalsContact CG-CG1 3.45Å; H456-G505 PolarHBondContact ND1-O 2.89Å; H456-Q506 CarbonylContact C-O 3.6Å; H456-Q506 WeakPolarHBondContact CA-O 3.36Å
457	D	81.9	Confident	58.7	Low	11 Å²	11	61.1 Å²	61.1	6%	0.059	33%	0.327	C	S	.	.			trans	-72	163.8	171.8	-154	-4	0	0	0	111	L459 G505 Q506 I508 N570	D457-L459 PolarHBondContact O-N 2.88Å; D457-G505 WeakPolarHBondContact O-CA 3.4Å; D457-Q506 HydrophobicContact CB-CB 4.39Å; D457-Q506 PolarHBondContact N-O 3.04Å; D457-I508 VanDerWaalsContact CA-CD1 3.41Å; D457-I508 HydrophobicContact CB-CD1 3.63Å; D457-I508 HydrophobicContact CB-CG1 3.68Å; D457-N570 WeakPolarHBondContact OD1-CB 3.21Å; D457-N570 PolarHBondContact OD1-ND2 3.28Å
458	L	73.6	Confident	57.7	Low	36 Å²	36	62.2 Å²	62.2	19%	0.188	33%	0.33	C	S	.	.			trans	-65.3	131.2	164.7	-179.5	62.6	0	0	0	108.4	Y427 T429 N431 H460	Y427-L458 HydrophobicContact CD2-CB 4.27Å; Y427-L458 HydrophobicContact CD2-CD1 3.81Å; Y427-L458 HydrophobicContact CE2-CB 4.11Å; Y427-L458 HydrophobicContact CE2-CD1 4.49Å; Y427-L458 HydrophobicContact CG-CD1 3.94Å; T429-L458 HydrophobicContact CG2-CD1 3.96Å; T429-L458 WeakPolarHBondContact OG1-CD1 3.48Å; N431-L458 HydrophobicContact CB-CD1 4.45Å; L458-H460 PolarHBondContact O-CD2 2.95Å; L458-H460 VanDerWaalsContact O-CD2 3.31Å; L458-H460 PolarHBondContact O-N 3.02Å
459	L	63.3	Low	56.6	Low	24 Å²	24	69 Å²	69	13%	0.126	36%	0.357	C	S	.	.			trans	-65.1	86.7	168.9	-77.3	165.6	0	0	0	110.5	D457 L461 P502	D457-L459 PolarHBondContact O-N 2.88Å; L459-L461 VanDerWaalsContact C-N 3.28Å; L459-L461 PolarHBondContact O-N 2.93Å; L459-P502 VanDerWaalsContact CD1-O 3.24Å; L459-P502 WeakPolarHBondContact CD1-O 3.47Å; L459-P502 HydrophobicContact CD2-CB 4.47Å; L459-P502 HydrophobicContact CD2-CG 3.92Å; L459-P502 VanDerWaalsContact CD2-O 3.26Å; L459-P502 WeakPolarHBondContact CD2-O 3.4Å
460	H	51.5	Low	55.2	Low	109 Å²	109	74.7 Å²	74.7	51%	0.505	39%	0.386	S	S	.	.			trans	-69.3	92.3	159.7	-68.1	-78.2	0	0	0	107.8	L458 N462	L458-H460 PolarHBondContact O-CD2 2.95Å; L458-H460 VanDerWaalsContact O-CD2 3.31Å; L458-H460 PolarHBondContact O-N 3.02Å; H460-N462 PolarHBondContact O-N 3.03Å
461	L	40.9	Very low	53.2	Low	65 Å²	65	78.6 Å²	78.6	34%	0.34	42%	0.419	S	S	.	.			trans	-63.6	95.8	162.3	-59	-173.2	0	0	0	106.7	L459 M463 Q501	L459-L461 VanDerWaalsContact C-N 3.28Å; L459-L461 PolarHBondContact O-N 2.93Å; L461-M463 PolarHBondContact O-N 2.84Å; L461-Q501 HydrophobicContact CD2-CB 4.2Å; L461-Q501 HydrophobicContact CD2-CG 4.19Å
462	N	31.2	Very low	51.3	Low	143 Å²	143	87.7 Å²	87.7	77%	0.765	46%	0.458	S	S	*	.			trans	-63.4	88.1	166.8	-85.9	-13.9	0	0	0	107.2	H460 I464	H460-N462 PolarHBondContact O-N 3.03Å; N462-I464 PolarHBondContact O-N 3.49Å
463	M	27.8	Very low	49.4	Very low	116 Å²	116	93 Å²	93	57%	0.571	49%	0.485	S	S	*	.			trans	-56.5	89.3	158.2	-67.4	-84.9	-96.4	0	0	105.6	L461 K465	L461-M463 PolarHBondContact O-N 2.84Å; M463-K465 VanDerWaalsContact C-N 3.29Å; M463-K465 PolarHBondContact O-N 2.98Å
464	I	26.7	Very low	46.7	Very low	146 Å²	146	99.5 Å²	99.5	75%	0.749	52%	0.52	S	S	*	.			trans	-58.6	104.7	168.5	-66	174	0	0	0	104.1	N462 V466	N462-I464 PolarHBondContact O-N 3.49Å; I464-V466 VanDerWaalsContact C-N 3.29Å; I464-V466 PolarHBondContact O-N 3.41Å
465	K	27.3	Very low	44.5	Very low	196 Å²	196	106.6 Å²	106.6	85%	0.852	55%	0.553	S	S	*	*			trans	-56.8	105	165	-71.7	-170.7	176.1	-171	0	105.1	M463 G467	M463-K465 VanDerWaalsContact C-N 3.29Å; M463-K465 PolarHBondContact O-N 2.98Å; K465-G467 PolarHBondContact O-N 3.04Å
466	V	28.8	Very low	41.9	Very low	134 Å²	134	115 Å²	115	81%	0.812	59%	0.589	S	S	*	*			trans	-62.6	92.7	159.8	178.3	0	0	0	0	103.6	I464 K468	I464-V466 VanDerWaalsContact C-N 3.29Å; I464-V466 PolarHBondContact O-N 3.41Å; V466-K468 PolarHBondContact O-N 2.9Å
467	G	28.7	Very low	39.8	Very low	56 Å²	56	123.4 Å²	123.4	58%	0.577	63%	0.628	S	S	*	*			trans	-56.5	118.8	177.6	0	0	0	0	0	106.6	K465 E469	K465-G467 PolarHBondContact O-N 3.04Å; G467-E469 PolarHBondContact O-N 2.65Å; G467-E469 VanDerWaalsContact O-N 3.1Å
468	K	33.8	Very low	37.4	Very low	148 Å²	148	132.1 Å²	132.1	64%	0.643	67%	0.666	S	S	*	*			trans	-51.8	122.8	175.2	-72.2	-173	170.2	-176.2	0	106.3	D268 V466 D470	D268-K468 IonicContact OD1-NZ 2.73Å; D268-K468 PolarHBondContact OD1-NZ 3.11Å; D268-K468 IonicContact OD2-NZ 3.07Å; D268-K468 PolarHBondContact OD2-NZ 3.39Å; V466-K468 PolarHBondContact O-N 2.9Å; K468-D470 PolarHBondContact O-N 2.95Å
469	E	33.1	Very low	35.6	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	70%	0.695	S	S	*	*			trans	-63.1	110.9	-176	-66.3	-174.9	141.3	0	0	108	G467 A471	G467-E469 PolarHBondContact O-N 2.65Å; G467-E469 VanDerWaalsContact O-N 3.1Å; E469-A471 PolarHBondContact O-N 3.49Å
470	D	35.5	Very low	34.2	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	72%	0.723	S	S	*	*			trans	-70.5	75.6	-177.8	-88.1	-45.6	0	0	0	110.9	K468 K472	K468-D470 PolarHBondContact O-N 2.95Å; D470-K472 PolarHBondContact O-N 2.89Å
471	A	34.1	Very low	33.2	Very low	82 Å²	82	138 Å²	138	68%	0.678	73%	0.73	S	S	*	*			trans	-75.2	54.9	-178.7	0	0	0	0	0	112.2	E469	E469-A471 PolarHBondContact O-N 3.49Å
472	K	38.3	Very low	32.7	Very low	191 Å²	191	144.6 Å²	144.6	83%	0.83	76%	0.756	S	S	*	*			trans	-129.2	80	169.4	-68.9	-177.2	-176.7	171.4	0	109	D470	D470-K472 PolarHBondContact O-N 2.89Å
473	I	39	Very low	32.7	Very low	139 Å²	139	145.8 Å²	145.8	71%	0.713	75%	0.754	S	S	*	*				76.2	112.7	87.1	-68.5	168.1	0	0	0	112.7
474	N	31.1	Very low	32.8	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	76%	0.763	S	S	*	*			trans	89.1	135.7	156.1	-67	-19	0	0	0	123
475	H	38.2	Very low	33	Very low	154 Å²	154	145.9 Å²	145.9	71%	0.713	76%	0.762	S	S	*	*			trans	81	96.5	153.2	-66.3	-38.5	0	0	0	123.1
476	K	33.6	Very low	33.2	Very low	175 Å²	175	142.2 Å²	142.2	76%	0.761	75%	0.752	S	S	*	*				51.1	98	123.6	-69.5	179.2	172.7	175.1	0	118.3
477	Q	38.2	Very low	33.3	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	75%	0.748	S	S	*	*				-175.7	136.2	108.3	-93.5	152.9	112.6	0	0	108.4
478	K	31.9	Very low	33.3	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	76%	0.755	S	S	*	*				42.7	129.5	85.7	-66.9	-173.9	176.4	-175.9	0	113.3
479	S	35.9	Very low	33.3	Very low	115 Å²	115	144.2 Å²	144.2	80%	0.804	77%	0.765	S	S	*	*			cis	-176.6	164.7	-7.8	49.4	0	0	0	0	108
480	A	33.2	Very low	33.1	Very low	86 Å²	86	140.5 Å²	140.5	71%	0.711	76%	0.76	S	S	*	*			cis	-156.5	146.4	12.3	0	0	0	0	0	113.7
481	S	30.8	Very low	32.8	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	76%	0.762	S	S	*	*				43.7	108	127.2	178.2	0	0	0	0	121
482	F	29.7	Very low	32.4	Very low	204 Å²	204	146.9 Å²	146.9	90%	0.895	77%	0.769	S	S	*	*				-118.8	153.7	124.7	-159.7	-102.9	0	0	0	109.5
483	K	30.8	Very low	32	Very low	168 Å²	168	147.8 Å²	147.8	73%	0.73	77%	0.773	S	S	*	*			trans	-113.9	-170.2	-167.8	-71.2	179.8	175.9	176.7	0	111.6
484	V	31.2	Very low	31.5	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	77%	0.772	S	S	*	*			trans	94.7	119.7	171.2	-177.3	0	0	0	0	113
485	L	31.1	Very low	31.4	Very low	138 Å²	138	150.6 Å²	150.6	72%	0.723	78%	0.781	S	S	*	*			cis	-157.5	142	-15.8	-159.3	64.3	0	0	0	111.5
486	N	31.5	Very low	30.7	Very low	120 Å²	120	147.7 Å²	147.7	64%	0.642	78%	0.775	S	S	*	*			trans	5.4	152.7	148.4	-45.4	-5.6	0	0	0	120.4
487	N	29.6	Very low	30.5	Very low	138 Å²	138	146 Å²	146	74%	0.738	77%	0.773	S	S	*	*			cis	-171.7	162.8	-14.5	-102.2	-16.8	0	0	0	109.4
488	S	29.7	Very low	30.2	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	77%	0.771	S	S	*	*			trans	42.4	111.2	148.3	-54	0	0	0	0	120.3
489	T	32.4	Very low	30.4	Very low	140 Å²	140	138 Å²	138	86%	0.859	76%	0.759	S	S	*	*				-171.2	152.9	93.8	24.7	0	0	0	0	113	K491	T489-K491 PolarHBondContact O-N 2.92Å
490	S	29.7	Very low	30.6	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	74%	0.74	S	S	*	*			trans	-52.5	118.6	-180	50.3	0	0	0	0	115.8
491	K	28.6	Very low	30.8	Very low	208 Å²	208	135.8 Å²	135.8	90%	0.904	73%	0.726	S	S	*	*			trans	-166	158.2	140.3	-108.3	157.3	-172.4	176.3	0	111.8	T489 K493	T489-K491 PolarHBondContact O-N 2.92Å; K491-K493 PolarHBondContact O-N 3.44Å
492	M	25.6	Very low	31.3	Very low	169 Å²	169	134.4 Å²	134.4	83%	0.833	71%	0.714	S	S	*	*			trans	-51.6	121.3	-173.5	-60.6	159.2	65.7	0	0	113.3	K494	M492-K494 PolarHBondContact O-N 3.32Å
493	K	29.6	Very low	32.1	Very low	211 Å²	211	125.1 Å²	125.1	92%	0.917	68%	0.675	S	S	*	*			trans	-84.4	96.8	151.3	-111.4	-174.7	176.4	-176.1	0	108	K491	K491-K493 PolarHBondContact O-N 3.44Å
494	K	29.8	Very low	33.3	Very low	157 Å²	157	118 Å²	118	68%	0.683	65%	0.645	S	S	*	*			trans	-57.8	144.3	-178.4	-158.3	177.9	-177	-177.5	0	110.4	M492 T496	M492-K494 PolarHBondContact O-N 3.32Å; K494-T496 VanDerWaalsContact C-N 3.35Å; K494-T496 HydrophobicContact CD-CG2 4.09Å; K494-T496 HydrophobicContact CG-CG2 4.15Å; K494-T496 PolarHBondContact O-N 2.87Å
495	L	28.2	Very low	34.7	Very low	177 Å²	177	112.4 Å²	112.4	93%	0.927	61%	0.612	S	S	*	*			trans	-70.8	91.8	169.9	-78.6	77.2	0	0	0	108.9
496	T	24.5	Very low	36.6	Very low	94 Å²	94	109.2 Å²	109.2	58%	0.577	59%	0.594	S	S	*	*			trans	-145.2	96.8	174.5	50.3	0	0	0	0	109.8	K494	K494-T496 VanDerWaalsContact C-N 3.35Å; K494-T496 HydrophobicContact CD-CG2 4.09Å; K494-T496 HydrophobicContact CG-CG2 4.15Å; K494-T496 PolarHBondContact O-N 2.87Å
497	N	29.2	Very low	38.7	Very low	138 Å²	138	104 Å²	104	74%	0.738	57%	0.566	S	S	*	*			trans	-174	96.7	153.8	-97.7	3.1	0	0	0	106.5
498	A	31.2	Very low	41.3	Very low	94 Å²	94	97.8 Å²	97.8	78%	0.777	53%	0.533	S	S	*	.			trans	-99	83.6	170.9	0	0	0	0	0	107.4	V500	A498-V500 PolarHBondContact O-N 2.83Å
499	D	35.9	Very low	43.8	Very low	111 Å²	111	93 Å²	93	59%	0.594	50%	0.499	S	S	*	.			trans	-58	108.8	-168.7	-67.8	-47.2	0	0	0	112.2	Q501	D499-Q501 PolarHBondContact O-N 2.59Å; D499-Q501 VanDerWaalsContact O-N 3.14Å
500	V	40.7	Very low	46.3	Very low	69 Å²	69	86.3 Å²	86.3	42%	0.418	46%	0.458	S	S	.	.			trans	-79.1	99.1	178.4	-179	0	0	0	0	108.6	Y250 A498	Y250-V500 HydrophobicContact CE2-CG1 4.47Å; A498-V500 PolarHBondContact O-N 2.83Å
501	Q	37.3	Very low	49.1	Very low	86 Å²	86	81.1 Å²	81.1	40%	0.402	42%	0.422	S	S	.	.			trans	-55.1	139.3	-179.8	-67.4	172.3	-16.7	0	0	112.1	L461 D499	L461-Q501 HydrophobicContact CD2-CB 4.2Å; L461-Q501 HydrophobicContact CD2-CG 4.19Å; D499-Q501 PolarHBondContact O-N 2.59Å; D499-Q501 VanDerWaalsContact O-N 3.14Å
502	P	40.9	Very low	51.7	Low	63 Å²	63	71.3 Å²	71.3	41%	0.409	38%	0.379	S	S	.	.			trans	-66.4	136	178.5	27.3	-33.6	0	0	0	111	L459 V504	L459-P502 VanDerWaalsContact CD1-O 3.24Å; L459-P502 WeakPolarHBondContact CD1-O 3.47Å; L459-P502 HydrophobicContact CD2-CB 4.47Å; L459-P502 HydrophobicContact CD2-CG 3.92Å; L459-P502 VanDerWaalsContact CD2-O 3.26Å; L459-P502 WeakPolarHBondContact CD2-O 3.4Å; P502-V504 VanDerWaalsContact C-N 3.35Å
503	T	46.3	Very low	54.5	Low	9 Å²	9	63.6 Å²	63.6	6%	0.055	34%	0.342	C	S	.	.	S	Bend	trans	-84.9	-9.6	-175.6	-23.1	0	0	0	0	113.7	L246	L246-T503 HydrophobicContact CB-CG2 3.83Å; L246-T503 HydrophobicContact CD2-CG2 4.38Å; L246-T503 VanDerWaalsContact O-CG2 3.32Å; L246-T503 WeakPolarHBondContact O-CG2 3.21Å
504	V	55.5	Low	57	Low	20 Å²	20	55.8 Å²	55.8	12%	0.121	31%	0.31	C	S	.	.	S	Bend	trans	-128.8	143.6	173.8	179.3	0	0	0	0	107.2	L246 P432 H456 P502	L246-V504 HydrophobicContact CD1-CG2 3.53Å; L246-V504 HydrophobicContact CD2-CG2 4.06Å; L246-V504 HydrophobicContact CG-CG2 4.47Å; P432-V504 HydrophobicContact CG-CG1 4.15Å; P432-V504 HydrophobicContact CG-CG2 4.12Å; H456-V504 HydrophobicContact CB-CG1 4.08Å; H456-V504 VanDerWaalsContact CG-CG1 3.45Å; P502-V504 VanDerWaalsContact C-N 3.35Å
505	G	62.1	Low	59.6	Low	6 Å²	6	49.1 Å²	49.1	6%	0.062	28%	0.282	C	S	.	.			trans	-68.2	165	-179.8	0	0	0	0	0	114.1	H456 D457 L507	H456-G505 PolarHBondContact ND1-O 2.89Å; D457-G505 WeakPolarHBondContact O-CA 3.4Å; G505-L507 PolarHBondContact O-N 2.92Å
506	Q	70.5	Confident	62.2	Low	71 Å²	71	44.5 Å²	44.5	33%	0.332	26%	0.255	S	S	.	.			trans	-50.4	138.5	174.4	-175.4	173	23.1	0	0	110.3	H456 D457 I508 K522 N524	H456-Q506 CarbonylContact C-O 3.6Å; H456-Q506 WeakPolarHBondContact CA-O 3.36Å; D457-Q506 HydrophobicContact CB-CB 4.39Å; D457-Q506 PolarHBondContact N-O 3.04Å; Q506-I508 PolarHBondContact O-N 2.87Å; Q506-I508 VanDerWaalsContact O-N 3.15Å; Q506-K522 PolarHBondContact NE2-O 3.25Å; Q506-N524 PolarHBondContact NE2-OD1 3.05Å
507	L	74.7	Confident	65.2	Low	10 Å²	10	40.1 Å²	40.1	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	112.2	176.5	-176.7	68	0	0	0	109.6	V132 Y136 I454 G505 V510 Y520	V132-L507 HydrophobicContact CG1-CD2 3.83Å; Y136-L507 HydrophobicContact CD1-CB 4.45Å; Y136-L507 HydrophobicContact CD1-CD2 4.33Å; Y136-L507 HydrophobicContact CE1-CB 4.23Å; I454-L507 HydrophobicContact CG2-CD1 3.46Å; I454-L507 VanDerWaalsContact CG2-CD1 3.46Å; G505-L507 PolarHBondContact O-N 2.92Å; L507-V510 HydrophobicContact CD1-CG2 3.91Å; L507-V510 HydrophobicContact CD2-CG2 3.99Å; L507-V510 HydrophobicContact CG-CG2 4.32Å; L507-Y520 HydrophobicContact CD2-CD2 4.21Å; L507-Y520 HydrophobicContact CD2-CE2 3.72Å; L507-Y520 HydrophobicContact CG-CD2 4.16Å; L507-Y520 HydrophobicContact CG-CE2 4.12Å
508	I	84.7	Confident	67.8	Low	9 Å²	9	33.8 Å²	33.8	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-34.8	174.4	-52.8	165.2	0	0	0	110.8	V455 D457 Q506 V519 Y520 L569 N570	V455-I508 HydrophobicContact CG1-CB 4.48Å; V455-I508 HydrophobicContact CG1-CD1 4.49Å; V455-I508 PolarHBondContact O-N 2.82Å; D457-I508 VanDerWaalsContact CA-CD1 3.41Å; D457-I508 HydrophobicContact CB-CD1 3.63Å; D457-I508 HydrophobicContact CB-CG1 3.68Å; Q506-I508 PolarHBondContact O-N 2.87Å; Q506-I508 VanDerWaalsContact O-N 3.15Å; I508-V519 HydrophobicContact CG2-CG1 4.05Å; I508-V519 CarbonylContact O-C 3.6Å; I508-V519 VanDerWaalsContact O-CA 3.29Å; I508-V519 WeakPolarHBondContact O-CA 3.38Å; I508-V519 WeakPolarHBondContact O-CG1 3.41Å; I508-Y520 PolarHBondContact O-N 3.15Å; I508-L569 HydrophobicContact CD1-CB 4.27Å; I508-L569 HydrophobicContact CG2-CB 3.78Å; I508-L569 HydrophobicContact CG2-CD1 4.47Å; I508-L569 HydrophobicContact CG2-CD2 4.13Å; I508-L569 HydrophobicContact CG2-CG 4.34Å; I508-N570 HydrophobicContact CD1-CB 4.24Å
509	G	83.6	Confident	70.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	166	-178.9	0	0	0	0	0	115.1	V455 V518	V455-G509 PolarHBondContact N-O 3.47Å; V455-G509 PolarHBondContact O-N 2.82Å; G509-V518 CarbonylContact C-O 3.47Å; G509-V518 WeakPolarHBondContact CA-O 3.42Å
510	V	84.9	Confident	72.7	Confident	1 Å²	1	25 Å²	25	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.2	178.1	-163.1	0	0	0	0	109.5	I128 V132 L452 F453 I454 L507 G517 V518	I128-V510 HydrophobicContact CG2-CB 3.64Å; I128-V510 HydrophobicContact CG2-CG1 3.42Å; I128-V510 VanDerWaalsContact CG2-CG1 3.42Å; I128-V510 HydrophobicContact CG2-CG2 4.38Å; V132-V510 HydrophobicContact CG2-CG2 4.35Å; L452-V510 HydrophobicContact CD1-CG1 3.64Å; L452-V510 HydrophobicContact CG-CG1 4.32Å; F453-V510 CarbonylContact O-C 3.57Å; F453-V510 VanDerWaalsContact O-CA 3.3Å; F453-V510 WeakPolarHBondContact O-CA 3.42Å; F453-V510 WeakPolarHBondContact O-CG1 3.49Å; I454-V510 HydrophobicContact CG1-CG1 4.13Å; I454-V510 HydrophobicContact CG2-CG2 4.32Å; L507-V510 HydrophobicContact CD1-CG2 3.91Å; L507-V510 HydrophobicContact CD2-CG2 3.99Å; L507-V510 HydrophobicContact CG-CG2 4.32Å; V510-G517 WeakPolarHBondContact O-CA 3.39Å; V510-V518 PolarHBondContact N-O 3.09Å; V510-V518 PolarHBondContact O-N 3.43Å
511	F	87.8	Confident	74.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.7	-173.9	-46.3	-84.5	0	0	0	110.7	L452 F453 V455 H516 V519 Y530 L569 L575 L585 L598	L452-F511 CarbonylContact C-O 3.14Å; L452-F511 WeakPolarHBondContact CA-O 3.37Å; F453-F511 HydrophobicContact CB-CB 4.43Å; F453-F511 PolarHBondContact N-O 2.84Å; F453-F511 PolarHBondContact O-N 3.42Å; V455-F511 HydrophobicContact CG2-CD2 4.19Å; V455-F511 HydrophobicContact CG2-CE2 3.78Å; F511-H516 CarbonylContact C-O 3.47Å; F511-H516 WeakPolarHBondContact CA-O 3.46Å; F511-V519 HydrophobicContact CE1-CG2 3.88Å; F511-V519 HydrophobicContact CZ-CG2 3.74Å; F511-Y530 HydrophobicContact CD1-CE1 4.11Å; F511-Y530 WeakPolarHBondContact CD1-OH 3.37Å; F511-Y530 HydrophobicContact CE1-CE1 4.29Å; F511-L569 HydrophobicContact CE2-CD1 4.44Å; F511-L569 HydrophobicContact CZ-CD1 4.28Å; F511-L575 HydrophobicContact CE1-CD1 4.12Å; F511-L575 HydrophobicContact CE1-CD2 3.77Å; F511-L575 HydrophobicContact CZ-CD1 4.28Å; F511-L575 HydrophobicContact CZ-CD2 3.99Å; F511-L585 HydrophobicContact CD2-CD1 4.24Å; F511-L585 HydrophobicContact CE2-CD1 4.2Å; F511-L585 HydrophobicContact CE2-CD2 4.03Å; F511-L585 HydrophobicContact CZ-CD2 4.34Å; F511-L598 HydrophobicContact CB-CD1 3.82Å; F511-L598 HydrophobicContact CB-CD2 4.06Å; F511-L598 HydrophobicContact CB-CG 4.47Å; F511-L598 HydrophobicContact CD1-CD1 3.89Å; F511-L598 HydrophobicContact CD2-CD1 3.93Å; F511-L598 HydrophobicContact CD2-CD2 4.48Å; F511-L598 HydrophobicContact CE1-CD1 4.44Å; F511-L598 HydrophobicContact CE2-CD1 4.48Å; F511-L598 HydrophobicContact CG-CD1 3.59Å; F511-L598 HydrophobicContact CG-CD2 4.45Å
512	D	83.4	Confident	76.5	Confident	3 Å²	3	27 Å²	27	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140	170.4	-179.7	-1	0	0	0	109.8	I128 S439 L451 N514 I515 H516	I128-D512 HydrophobicContact CD1-CB 4Å; S439-D512 PolarHBondContact OG-OD2 3.41Å; L451-D512 WeakPolarHBondContact O-CA 3.28Å; D512-N514 PolarHBondContact O-N 3.37Å; D512-N514 PolarHBondContact OD1-N 3.15Å; D512-N514 PolarHBondContact OD1-ND2 2.74Å; D512-N514 PolarHBondContact OD2-ND2 2.93Å; D512-I515 PolarHBondContact O-N 3.41Å; D512-H516 PolarHBondContact N-O 2.84Å; D512-H516 PolarHBondContact O-N 2.89Å
513	S	84.6	Confident	78	Confident	7 Å²	7	30.8 Å²	30.8	5%	0.049	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-25.9	162.7	63.1	0	0	0	0	116.1	G450 L451 I515 L598	G450-S513 WeakPolarHBondContact CA-OG 3.37Å; L451-S513 PolarHBondContact N-OG 3.21Å; L451-S513 PolarHBondContact O-N 3.46Å; S513-I515 PolarHBondContact O-N 2.85Å; S513-I515 VanDerWaalsContact O-N 3.13Å; S513-L598 VanDerWaalsContact CA-O 3.31Å; S513-L598 WeakPolarHBondContact CA-O 3.32Å
514	N	81.1	Confident	79.1	Confident	47 Å²	47	32.4 Å²	32.4	25%	0.251	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	15.9	171.3	-62.4	-53.2	0	0	0	113.9	D512 H516	D512-N514 PolarHBondContact O-N 3.37Å; D512-N514 PolarHBondContact OD1-N 3.15Å; D512-N514 PolarHBondContact OD1-ND2 2.74Å; D512-N514 PolarHBondContact OD2-ND2 2.93Å; N514-H516 PolarHBondContact O-N 3.45Å; N514-H516 PolarHBondContact O-ND1 3.42Å
515	I	83.7	Confident	80	Confident	17 Å²	17	33.9 Å²	33.9	9%	0.087	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	38.4	175.8	-50.2	153.5	0	0	0	111.8	D512 S513 Y530 N531 F580 I583 T599	D512-I515 PolarHBondContact O-N 3.41Å; S513-I515 PolarHBondContact O-N 2.85Å; S513-I515 VanDerWaalsContact O-N 3.13Å; I515-Y530 HydrophobicContact CG2-CD2 4.15Å; I515-Y530 HydrophobicContact CG2-CE2 4.12Å; I515-Y530 WeakPolarHBondContact O-CD2 3.44Å; I515-N531 CarbonylContact O-C 3.54Å; I515-N531 WeakPolarHBondContact O-CA 3.31Å; I515-F580 HydrophobicContact CD1-CD2 3.96Å; I515-F580 HydrophobicContact CG2-CB 4.38Å; I515-I583 HydrophobicContact CG2-CD1 4.31Å; I515-T599 HydrophobicContact CG1-CG2 4.35Å
516	H	84.5	Confident	80.9	Confident	79 Å²	79	34.9 Å²	34.9	37%	0.366	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.4	167.5	-66.1	105.3	0	0	0	109.4	I128 F511 D512 N514	I128-H516 HydrophobicContact CD1-CB 3.76Å; I128-H516 HydrophobicContact CG1-CB 4.24Å; F511-H516 CarbonylContact C-O 3.47Å; F511-H516 WeakPolarHBondContact CA-O 3.46Å; D512-H516 PolarHBondContact N-O 2.84Å; D512-H516 PolarHBondContact O-N 2.89Å; N514-H516 PolarHBondContact O-N 3.45Å; N514-H516 PolarHBondContact O-ND1 3.42Å
517	G	85.8	Confident	81.6	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	139.8	-179.2	0	0	0	0	0	113.6	V510 Q529 Y530	V510-G517 WeakPolarHBondContact O-CA 3.39Å; G517-Q529 CarbonylContact O-C 3.54Å; G517-Q529 WeakPolarHBondContact O-CA 3.16Å; G517-Y530 PolarHBondContact N-O 3.13Å; G517-Y530 PolarHBondContact O-N 2.79Å
518	V	85.3	Confident	82.2	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.03	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.2	176.7	-174.9	0	0	0	0	109.2	G509 V510 Y520 I526 L528 Q529	G509-V518 CarbonylContact C-O 3.47Å; G509-V518 WeakPolarHBondContact CA-O 3.42Å; V510-V518 PolarHBondContact N-O 3.09Å; V510-V518 PolarHBondContact O-N 3.43Å; V518-Y520 HydrophobicContact CG1-CE1 3.89Å; V518-Y520 HydrophobicContact CG1-CE2 4.07Å; V518-I526 HydrophobicContact CG1-CD1 4.5Å; V518-I526 HydrophobicContact CG1-CG1 4.19Å; V518-I526 HydrophobicContact CG1-CG2 4.35Å; V518-L528 WeakPolarHBondContact CA-O 3.21Å; V518-Q529 HydrophobicContact CG2-CG 4.4Å
519	V	88.2	Confident	82.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.3	170.3	179.8	0	0	0	0	109.2	I508 F511 R527 L528 L569 L575	I508-V519 HydrophobicContact CG2-CG1 4.05Å; I508-V519 CarbonylContact O-C 3.6Å; I508-V519 VanDerWaalsContact O-CA 3.29Å; I508-V519 WeakPolarHBondContact O-CA 3.38Å; I508-V519 WeakPolarHBondContact O-CG1 3.41Å; F511-V519 HydrophobicContact CE1-CG2 3.88Å; F511-V519 HydrophobicContact CZ-CG2 3.74Å; V519-R527 PolarHBondContact O-N 3.34Å; V519-L528 HydrophobicContact CB-CB 3.75Å; V519-L528 HydrophobicContact CG2-CB 3.93Å; V519-L528 HydrophobicContact CG2-CD2 3.86Å; V519-L528 PolarHBondContact N-O 3.06Å; V519-L528 PolarHBondContact O-N 3.3Å; V519-L569 HydrophobicContact CB-CD2 4.48Å; V519-L569 HydrophobicContact CG1-CD2 3.63Å; V519-L569 HydrophobicContact CG2-CD2 3.94Å; V519-L575 HydrophobicContact CG2-CD2 3.99Å
520	Y	82	Confident	82.4	Confident	20 Å²	20	34.9 Å²	34.9	8%	0.078	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.4	174.3	-52.6	-80.4	0	0	0	110.7	L507 I508 V518 N525 I526	L507-Y520 HydrophobicContact CD2-CD2 4.21Å; L507-Y520 HydrophobicContact CD2-CE2 3.72Å; L507-Y520 HydrophobicContact CG-CD2 4.16Å; L507-Y520 HydrophobicContact CG-CE2 4.12Å; I508-Y520 PolarHBondContact O-N 3.15Å; V518-Y520 HydrophobicContact CG1-CE1 3.89Å; V518-Y520 HydrophobicContact CG1-CE2 4.07Å; Y520-N525 CarbonylContact C-O 3.42Å; Y520-N525 WeakPolarHBondContact CA-O 3.49Å; Y520-I526 HydrophobicContact CD1-CG1 4.21Å; Y520-I526 HydrophobicContact CE1-CG1 3.98Å
521	D	79.2	Confident	82.4	Confident	50 Å²	50	36.7 Å²	36.7	27%	0.267	17%	0.174	S	C	.	.			trans	-80.6	165.7	164.2	176.2	47.8	0	0	0	110.7	K523 N524 N525 R527	D521-K523 PolarHBondContact O-N 3.21Å; D521-K523 PolarHBondContact OD2-N 3.45Å; D521-N524 WeakPolarHBondContact O-CA 3.29Å; D521-N524 PolarHBondContact O-N 2.9Å; D521-N525 HydrophobicContact CB-CB 4.49Å; D521-N525 PolarHBondContact N-O 2.67Å; D521-R527 HydrophobicContact CB-CB 4.24Å
522	K	77.5	Confident	82.2	Confident	147 Å²	147	41.2 Å²	41.2	64%	0.639	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.2	176.8	-61.9	-169.8	174.3	-166.5	0	113.9	Q506 N524	Q506-K522 PolarHBondContact NE2-O 3.25Å; K522-N524 VanDerWaalsContact C-N 3.32Å
523	K	72.9	Confident	82	Confident	143 Å²	143	46.3 Å²	46.3	62%	0.622	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	23.2	170.5	-62.9	-174.5	176.1	-175.7	0	114.1	D521 N525	D521-K523 PolarHBondContact O-N 3.21Å; D521-K523 PolarHBondContact OD2-N 3.45Å; K523-N525 WeakPolarHBondContact CB-ND2 3.46Å; K523-N525 PolarHBondContact O-N 3.29Å; K523-N525 VanDerWaalsContact O-N 3.08Å; K523-N525 PolarHBondContact O-ND2 3.42Å
524	N	69.6	Low	82	Confident	44 Å²	44	48.6 Å²	48.6	24%	0.235	23%	0.232	C	C	.	.	S	Bend	trans	57.2	20.8	-175.8	-73.2	-19.2	0	0	0	114.5	V137 N138 Q506 D521 K522	V137-N524 HydrophobicContact CG1-CB 3.43Å; V137-N524 VanDerWaalsContact CG1-CB 3.43Å; V137-N524 WeakPolarHBondContact CG1-ND2 3.4Å; V137-N524 PolarHBondContact O-ND2 2.74Å; N138-N524 PolarHBondContact OD1-ND2 3.15Å; N138-N524 VanDerWaalsContact OD1-ND2 3.14Å; Q506-N524 PolarHBondContact NE2-OD1 3.05Å; D521-N524 WeakPolarHBondContact O-CA 3.29Å; D521-N524 PolarHBondContact O-N 2.9Å; K522-N524 VanDerWaalsContact C-N 3.32Å
525	N	74.7	Confident	82.2	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.273	22%	0.22	S	C	.	.			trans	-101.8	130.3	-170.9	-88.1	-73.3	0	0	0	110.8	R115 Y520 D521 K523 R527	R115-N525 PolarHBondContact NH1-OD1 2.7Å; R115-N525 PolarHBondContact NH2-OD1 2.81Å; Y520-N525 CarbonylContact C-O 3.42Å; Y520-N525 WeakPolarHBondContact CA-O 3.49Å; D521-N525 HydrophobicContact CB-CB 4.49Å; D521-N525 PolarHBondContact N-O 2.67Å; K523-N525 WeakPolarHBondContact CB-ND2 3.46Å; K523-N525 PolarHBondContact O-N 3.29Å; K523-N525 VanDerWaalsContact O-N 3.08Å; K523-N525 PolarHBondContact O-ND2 3.42Å; N525-R527 PolarHBondContact O-N 2.89Å
526	I	79.7	Confident	82.3	Confident	27 Å²	27	45.6 Å²	45.6	14%	0.138	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	118	175.1	-59.9	177	0	0	0	110.1	R115 T119 V518 Y520 Q529 F538	R115-I526 PolarHBondContact NE-O 3.02Å; R115-I526 VanDerWaalsContact NE-O 3.11Å; T119-I526 HydrophobicContact CG2-CD1 4.3Å; V518-I526 HydrophobicContact CG1-CD1 4.5Å; V518-I526 HydrophobicContact CG1-CG1 4.19Å; V518-I526 HydrophobicContact CG1-CG2 4.35Å; Y520-I526 HydrophobicContact CD1-CG1 4.21Å; Y520-I526 HydrophobicContact CE1-CG1 3.98Å; I526-Q529 HydrophobicContact CG2-CB 4.22Å; I526-F538 HydrophobicContact CG2-CE2 4.29Å; I526-F538 WeakPolarHBondContact O-CD2 3.22Å
527	R	84.7	Confident	82.4	Confident	55 Å²	55	43.4 Å²	43.4	21%	0.208	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-32.2	-178.2	-175.8	-175.7	169.5	-154.2	-6.6	111.6	V519 D521 N525 Y537 F538 K568	V519-R527 PolarHBondContact O-N 3.34Å; D521-R527 HydrophobicContact CB-CB 4.24Å; N525-R527 PolarHBondContact O-N 2.89Å; R527-Y537 HydrophobicContact CG-CE2 4.06Å; R527-Y537 PolarHBondContact NH2-OH 3.21Å; R527-Y537 VanDerWaalsContact NH2-OH 3.09Å; R527-Y537 VanDerWaalsContact O-CD2 3.27Å; R527-Y537 WeakPolarHBondContact O-CD2 3.1Å; R527-F538 WeakPolarHBondContact CG-O 3.4Å; R527-F538 PolarHBondContact O-N 3.11Å; R527-K568 PolarHBondContact NH1-O 2.87Å
528	L	88	Confident	82.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.1	172.7	-173.5	79	0	0	0	108.9	V518 V519 Y530 V536 Y537 W549 L565 I567 L575 I577	V518-L528 WeakPolarHBondContact CA-O 3.21Å; V519-L528 HydrophobicContact CB-CB 3.75Å; V519-L528 HydrophobicContact CG2-CB 3.93Å; V519-L528 HydrophobicContact CG2-CD2 3.86Å; V519-L528 PolarHBondContact N-O 3.06Å; V519-L528 PolarHBondContact O-N 3.3Å; L528-Y530 HydrophobicContact CD2-CD1 4.05Å; L528-Y530 HydrophobicContact CD2-CE1 4.28Å; L528-Y530 HydrophobicContact CG-CD1 4.48Å; L528-V536 WeakPolarHBondContact CA-O 3.46Å; L528-Y537 HydrophobicContact CB-CD2 4.4Å; L528-Y537 HydrophobicContact CD1-CD2 3.84Å; L528-Y537 HydrophobicContact CD1-CG 4.29Å; L528-W549 HydrophobicContact CD1-CH2 3.84Å; L528-W549 HydrophobicContact CD1-CZ3 4.43Å; L528-L565 HydrophobicContact CD1-CD2 3.87Å; L528-I567 HydrophobicContact CB-CD1 4.43Å; L528-I567 HydrophobicContact CD1-CD1 3.65Å; L528-I567 HydrophobicContact CD2-CD1 3.87Å; L528-I567 HydrophobicContact CG-CD1 4.21Å; L528-L575 HydrophobicContact CD2-CD2 3.49Å; L528-L575 VanDerWaalsContact CD2-CD2 3.49Å; L528-I577 HydrophobicContact CD2-CD1 3.79Å
529	Q	85.8	Confident	81.6	Confident	30 Å²	30	50.3 Å²	50.3	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141	162.8	-175.5	172.4	-2.9	0	0	109.4	G517 V518 I526 G535 V536	G517-Q529 CarbonylContact O-C 3.54Å; G517-Q529 WeakPolarHBondContact O-CA 3.16Å; V518-Q529 HydrophobicContact CG2-CG 4.4Å; I526-Q529 HydrophobicContact CG2-CB 4.22Å; Q529-G535 CarbonylContact O-C 3.46Å; Q529-G535 WeakPolarHBondContact O-CA 3.49Å; Q529-V536 PolarHBondContact N-O 2.93Å; Q529-V536 PolarHBondContact O-N 2.79Å
530	Y	87.3	Confident	80.5	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.6	169.2	66.6	-98.2	0	0	0	111.9	F511 I515 G517 L528 E534 I577 I583	F511-Y530 HydrophobicContact CD1-CE1 4.11Å; F511-Y530 WeakPolarHBondContact CD1-OH 3.37Å; F511-Y530 HydrophobicContact CE1-CE1 4.29Å; I515-Y530 HydrophobicContact CG2-CD2 4.15Å; I515-Y530 HydrophobicContact CG2-CE2 4.12Å; I515-Y530 WeakPolarHBondContact O-CD2 3.44Å; G517-Y530 PolarHBondContact N-O 3.13Å; G517-Y530 PolarHBondContact O-N 2.79Å; L528-Y530 HydrophobicContact CD2-CD1 4.05Å; L528-Y530 HydrophobicContact CD2-CE1 4.28Å; L528-Y530 HydrophobicContact CG-CD1 4.48Å; Y530-E534 WeakPolarHBondContact CA-O 3.3Å; Y530-I577 HydrophobicContact CD1-CD1 4.04Å; Y530-I577 HydrophobicContact CE1-CD1 4Å; Y530-I583 HydrophobicContact CD2-CD1 4.17Å; Y530-I583 HydrophobicContact CE1-CD1 4.42Å; Y530-I583 HydrophobicContact CE2-CD1 3.55Å
531	N	85.1	Confident	79.3	Confident	39 Å²	39	57.4 Å²	57.4	21%	0.209	27%	0.272	C	S	.	.			trans	-132.2	-170.5	171.8	63.5	40.4	0	0	0	109.1	I515 N533 E534 W551	I515-N531 CarbonylContact O-C 3.54Å; I515-N531 WeakPolarHBondContact O-CA 3.31Å; N531-N533 VanDerWaalsContact C-N 3.26Å; N531-N533 PolarHBondContact O-N 2.66Å; N531-N533 WeakPolarHBondContact OD1-CA 3.13Å; N531-N533 WeakPolarHBondContact OD1-CB 3.34Å; N531-N533 PolarHBondContact OD1-N 2.66Å; N531-E534 PolarHBondContact N-O 3.3Å; N531-E534 PolarHBondContact OD1-N 2.88Å; N531-E534 PolarHBondContact OD1-O 3.47Å; N531-W551 PolarHBondContact O-NE1 2.99Å
532	H	82.5	Confident	78	Confident	94 Å²	94	63.3 Å²	63.3	44%	0.435	30%	0.303	S	S	.	.	S	Bend	trans	-73.1	-10.9	-179.7	-156.6	-53.7	0	0	0	114.4	W551 F580	H532-W551 VanDerWaalsContact C-CD1 3.5Å; H532-W551 VanDerWaalsContact O-CD1 3.28Å; H532-F580 AromaticContact CE1-CD2 3.7Å; H532-F580 AromaticContact CE1-CE2 3.83Å
533	N	80.2	Confident	76.9	Confident	111 Å²	111	60.2 Å²	60.2	59%	0.594	29%	0.294	S	S	*	.	S	Bend	trans	-103.4	-43	-178.4	-62.1	-8.8	0	0	0	112.4	N531 K550 W551	N531-N533 VanDerWaalsContact C-N 3.26Å; N531-N533 PolarHBondContact O-N 2.66Å; N531-N533 WeakPolarHBondContact OD1-CA 3.13Å; N531-N533 WeakPolarHBondContact OD1-CB 3.34Å; N531-N533 PolarHBondContact OD1-N 2.66Å; N533-K550 WeakPolarHBondContact O-CA 3.41Å; N533-W551 PolarHBondContact O-N 2.93Å
534	E	84	Confident	76.1	Confident	54 Å²	54	60.5 Å²	60.5	25%	0.252	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	175.1	-171.6	63.4	-178	-170.4	0	0	113.4	Y530 N531 W549 K550	Y530-E534 WeakPolarHBondContact CA-O 3.3Å; N531-E534 PolarHBondContact N-O 3.3Å; N531-E534 PolarHBondContact OD1-N 2.88Å; N531-E534 PolarHBondContact OD1-O 3.47Å; E534-W549 CarbonylContact C-O 3.43Å; E534-W549 WeakPolarHBondContact CA-O 3.24Å; E534-W549 WeakPolarHBondContact CB-O 3.44Å; E534-K550 HydrophobicContact CB-CG 4.38Å
535	G	86.2	Confident	75.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	161.5	168.4	0	0	0	0	0	113.6	Q529 V548 W549	Q529-G535 CarbonylContact O-C 3.46Å; Q529-G535 WeakPolarHBondContact O-CA 3.49Å; G535-V548 WeakPolarHBondContact O-CA 3.07Å; G535-W549 VanDerWaalsContact C-CZ3 3.43Å; G535-W549 PolarHBondContact N-O 3.32Å; G535-W549 WeakPolarHBondContact O-CZ3 3.45Å; G535-W549 PolarHBondContact O-N 2.81Å
536	V	85.1	Confident	75.5	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.1	-173.3	-178.6	0	0	0	0	110.4	Y118 L528 Q529 F538 R547 V548	Y118-V536 HydrophobicContact CD2-CG2 4.44Å; Y118-V536 HydrophobicContact CE1-CG2 4.29Å; Y118-V536 HydrophobicContact CE2-CG2 3.65Å; L528-V536 WeakPolarHBondContact CA-O 3.46Å; Q529-V536 PolarHBondContact N-O 2.93Å; Q529-V536 PolarHBondContact O-N 2.79Å; V536-F538 HydrophobicContact CB-CE2 4.42Å; V536-F538 HydrophobicContact CB-CZ 4.45Å; V536-F538 HydrophobicContact CG1-CD1 4.44Å; V536-F538 HydrophobicContact CG1-CD2 4.31Å; V536-F538 HydrophobicContact CG1-CE1 3.86Å; V536-F538 HydrophobicContact CG1-CE2 3.71Å; V536-F538 HydrophobicContact CG1-CZ 3.46Å; V536-F538 VanDerWaalsContact CG1-CZ 3.46Å; V536-R547 WeakPolarHBondContact CA-O 3.43Å; V536-V548 HydrophobicContact CG1-CG2 4.17Å; V536-V548 HydrophobicContact CG2-CB 4.47Å; V536-V548 HydrophobicContact CG2-CG1 4.17Å; V536-V548 HydrophobicContact CG2-CG2 3.93Å
537	Y	87.1	Confident	75.4	Confident	33 Å²	33	65.6 Å²	65.6	13%	0.129	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.4	176.5	179.5	-112.7	0	0	0	112.5	R527 L528 K539 T546 R547 L565 I567	R527-Y537 HydrophobicContact CG-CE2 4.06Å; R527-Y537 PolarHBondContact NH2-OH 3.21Å; R527-Y537 VanDerWaalsContact NH2-OH 3.09Å; R527-Y537 VanDerWaalsContact O-CD2 3.27Å; R527-Y537 WeakPolarHBondContact O-CD2 3.1Å; L528-Y537 HydrophobicContact CB-CD2 4.4Å; L528-Y537 HydrophobicContact CD1-CD2 3.84Å; L528-Y537 HydrophobicContact CD1-CG 4.29Å; Y537-K539 HydrophobicContact CE1-CB 4.21Å; Y537-T546 WeakPolarHBondContact CD1-OG1 3.49Å; Y537-T546 PolarHBondContact O-N 2.97Å; Y537-T546 VanDerWaalsContact O-N 3.07Å; Y537-T546 PolarHBondContact O-OG1 3.42Å; Y537-R547 PolarHBondContact N-O 3.1Å; Y537-R547 PolarHBondContact O-N 3.03Å; Y537-L565 HydrophobicContact CG-CD2 4.47Å; Y537-I567 HydrophobicContact CD2-CD1 3.61Å; Y537-I567 HydrophobicContact CD2-CG1 4.41Å; Y537-I567 HydrophobicContact CE2-CD1 3.59Å; Y537-I567 HydrophobicContact CE2-CG1 3.96Å; Y537-I567 HydrophobicContact CG-CD1 4.44Å
538	F	82.2	Confident	75.2	Confident	11 Å²	11	65.7 Å²	65.7	5%	0.048	31%	0.314	C	S	.	.			trans	-99.7	111.4	177.2	-51.6	-83.5	0	0	0	109.4	R115 Y118 I526 R527 V536	R115-F538 HydrophobicContact CB-CD1 4.17Å; R115-F538 HydrophobicContact CB-CE1 3.79Å; R115-F538 HydrophobicContact CB-CZ 4.44Å; R115-F538 HydrophobicContact CG-CD1 4.08Å; R115-F538 HydrophobicContact CG-CE1 3.76Å; R115-F538 HydrophobicContact CG-CZ 4.01Å; Y118-F538 HydrophobicContact CD1-CZ 4.22Å; I526-F538 HydrophobicContact CG2-CE2 4.29Å; I526-F538 WeakPolarHBondContact O-CD2 3.22Å; R527-F538 WeakPolarHBondContact CG-O 3.4Å; R527-F538 PolarHBondContact O-N 3.11Å; V536-F538 HydrophobicContact CB-CE2 4.42Å; V536-F538 HydrophobicContact CB-CZ 4.45Å; V536-F538 HydrophobicContact CG1-CD1 4.44Å; V536-F538 HydrophobicContact CG1-CD2 4.31Å; V536-F538 HydrophobicContact CG1-CE1 3.86Å; V536-F538 HydrophobicContact CG1-CE2 3.71Å; V536-F538 HydrophobicContact CG1-CZ 3.46Å; V536-F538 VanDerWaalsContact CG1-CZ 3.46Å
539	K	70.7	Confident	75	Confident	140 Å²	140	66.8 Å²	66.8	61%	0.609	32%	0.318	S	S	*	.	S	Bend	trans	-77.1	-27.4	-179.3	-174.2	-176.8	177.5	-170.8	0	113.4	Y537 T546	Y537-K539 HydrophobicContact CE1-CB 4.21Å; K539-T546 HydrophobicContact CB-CG2 3.4Å; K539-T546 VanDerWaalsContact CB-CG2 3.4Å; K539-T546 WeakPolarHBondContact CB-OG1 3.27Å; K539-T546 HydrophobicContact CD-CG2 3.97Å; K539-T546 HydrophobicContact CG-CG2 4.36Å; K539-T546 PolarHBondContact N-OG1 2.69Å
540	Q	66.6	Low	74.8	Confident	113 Å²	113	70.9 Å²	70.9	53%	0.528	34%	0.335	S	S	.	.	S	Bend	trans	-142.4	155.6	179.5	-64.4	-170.2	2	0	0	110.7	L542 D543	Q540-L542 VanDerWaalsContact C-N 3.25Å; Q540-L542 PolarHBondContact O-N 2.7Å; Q540-D543 HydrophobicContact CB-CB 4.04Å
541	P	55.1	Low	74.5	Confident	56 Å²	56	72.3 Å²	72.3	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.9	-174.4	-22	34.7	0	0	0	116.3
542	L	53.1	Low	73.7	Confident	174 Å²	174	74.2 Å²	74.2	91%	0.911	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-0.4	-168.5	-79	159.3	0	0	0	113.6	Q540	Q540-L542 VanDerWaalsContact C-N 3.25Å; Q540-L542 PolarHBondContact O-N 2.7Å
543	D	53.6	Low	72.7	Confident	83 Å²	83	73 Å²	73	44%	0.444	37%	0.37	S	S	.	.	S	Bend	trans	-92.8	155.7	-177.7	-164.2	5.6	0	0	0	110.2	Q540	Q540-D543 HydrophobicContact CB-CB 4.04Å
544	R	56.6	Low	71.6	Confident	149 Å²	149	73.2 Å²	73.2	56%	0.562	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-62.6	147.4	167.6	-64.3	-167.7	-174.3	-151.5	3.2	107.6	E111 T546	E111-R544 IonicContact OE1-CZ 2.64Å; E111-R544 IonicContact OE1-NH1 2.62Å; E111-R544 PolarHBondContact OE1-NH1 2.89Å; E111-R544 IonicContact OE1-NH2 3Å; R544-T546 PolarHBondContact O-N 2.84Å
545	Y	61.7	Low	70.1	Confident	66 Å²	66	80.4 Å²	80.4	26%	0.259	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-47.4	138.6	-174.5	54.8	-85.1	0	0	0	110.9	Y112 P113 V548	Y112-Y545 WeakPolarHBondContact CB-OH 3.3Å; Y112-Y545 WeakPolarHBondContact CD2-OH 3.04Å; Y112-Y545 HydrophobicContact CG-CE1 4.28Å; Y112-Y545 HydrophobicContact CG-CE2 4.27Å; Y112-Y545 AromaticContact CG-CZ 3.81Å; P113-Y545 WeakPolarHBondContact O-CD1 3.3Å; Y545-V548 HydrophobicContact CD2-CG2 3.54Å; Y545-V548 HydrophobicContact CE2-CG2 4.21Å; Y545-V548 HydrophobicContact CG-CG2 4.02Å
546	T	69.4	Low	68.6	Low	51 Å²	51	86.1 Å²	86.1	31%	0.313	42%	0.424	S	S	.	.	S	Bend	trans	-92.6	-25	-173.7	50.5	0	0	0	0	114.4	Y537 K539 R544	Y537-T546 WeakPolarHBondContact CD1-OG1 3.49Å; Y537-T546 PolarHBondContact O-N 2.97Å; Y537-T546 VanDerWaalsContact O-N 3.07Å; Y537-T546 PolarHBondContact O-OG1 3.42Å; K539-T546 HydrophobicContact CB-CG2 3.4Å; K539-T546 VanDerWaalsContact CB-CG2 3.4Å; K539-T546 WeakPolarHBondContact CB-OG1 3.27Å; K539-T546 HydrophobicContact CD-CG2 3.97Å; K539-T546 HydrophobicContact CG-CG2 4.36Å; K539-T546 PolarHBondContact N-OG1 2.69Å; R544-T546 PolarHBondContact O-N 2.84Å
547	R	77.9	Confident	67.1	Low	112 Å²	112	92 Å²	92	42%	0.423	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	128.2	172	-64.2	-171.4	171.7	-151.9	-12.7	109.3	V536 Y537 Q563	V536-R547 WeakPolarHBondContact CA-O 3.43Å; Y537-R547 PolarHBondContact N-O 3.1Å; Y537-R547 PolarHBondContact O-N 3.03Å; R547-Q563 VanDerWaalsContact NH1-OE1 3.09Å; R547-Q563 VanDerWaalsContact NH2-OE1 3.12Å
548	V	81.8	Confident	65.6	Low	56 Å²	56	98.9 Å²	98.9	34%	0.339	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.8	158.8	178.8	0	0	0	0	106.8	G535 V536 Y545	G535-V548 WeakPolarHBondContact O-CA 3.07Å; V536-V548 HydrophobicContact CG1-CG2 4.17Å; V536-V548 HydrophobicContact CG2-CB 4.47Å; V536-V548 HydrophobicContact CG2-CG1 4.17Å; V536-V548 HydrophobicContact CG2-CG2 3.93Å; Y545-V548 HydrophobicContact CD2-CG2 3.54Å; Y545-V548 HydrophobicContact CE2-CG2 4.21Å; Y545-V548 HydrophobicContact CG-CG2 4.02Å
549	W	82.7	Confident	64	Low	23 Å²	23	101.1 Å²	101.1	9%	0.087	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.7	172	69.4	93	0	0	0	111.4	L528 E534 G535 W551 F562 L565	L528-W549 HydrophobicContact CD1-CH2 3.84Å; L528-W549 HydrophobicContact CD1-CZ3 4.43Å; E534-W549 CarbonylContact C-O 3.43Å; E534-W549 WeakPolarHBondContact CA-O 3.24Å; E534-W549 WeakPolarHBondContact CB-O 3.44Å; G535-W549 VanDerWaalsContact C-CZ3 3.43Å; G535-W549 PolarHBondContact N-O 3.32Å; G535-W549 WeakPolarHBondContact O-CZ3 3.45Å; G535-W549 PolarHBondContact O-N 2.81Å; W549-W551 AromaticContact CD1-CD2 3.91Å; W549-W551 AromaticContact CD1-CE3 3.77Å; W549-W551 AromaticContact CD1-CZ3 3.93Å; W549-W551 AromaticContact CE2-CH2 3.91Å; W549-W551 AromaticContact CE2-CZ2 3.97Å; W549-W551 HydrophobicContact CZ2-CH2 4.08Å; W549-W551 HydrophobicContact CZ2-CZ2 4.07Å; W549-W551 AromaticContact NE1-CD2 3.57Å; W549-W551 AromaticContact NE1-CE2 3.39Å; W549-W551 AromaticContact NE1-CE3 3.52Å; W549-W551 AromaticContact NE1-CH2 3.2Å; W549-W551 AromaticContact NE1-CZ2 3.23Å; W549-W551 AromaticContact NE1-CZ3 3.33Å; W549-W551 VanDerWaalsContact NE1-CZ3 3.33Å; W549-F562 HydrophobicContact CB-CD2 3.85Å; W549-F562 HydrophobicContact CB-CE2 4.49Å; W549-F562 AromaticContact CD1-CD2 3.33Å; W549-F562 AromaticContact CD1-CE2 3.71Å; W549-F562 AromaticContact CD2-CD2 3.77Å; W549-F562 HydrophobicContact CD2-CD2 3.77Å; W549-F562 AromaticContact CD2-CE2 3.52Å; W549-F562 HydrophobicContact CD2-CE2 3.52Å; W549-F562 AromaticContact CE2-CD2 4Å; W549-F562 AromaticContact CE2-CE2 3.51Å; W549-F562 HydrophobicContact CE3-CE2 4.11Å; W549-F562 AromaticContact CG-CD2 3.36Å; W549-F562 HydrophobicContact CG-CD2 3.36Å; W549-F562 AromaticContact CG-CE2 3.67Å; W549-F562 HydrophobicContact CG-CE2 3.67Å; W549-F562 HydrophobicContact CG-CG 4.45Å; W549-F562 HydrophobicContact CZ2-CE2 4.12Å; W549-F562 AromaticContact NE1-CD2 3.71Å; W549-F562 AromaticContact NE1-CE2 3.6Å; W549-L565 HydrophobicContact CH2-CD2 3.85Å; W549-L565 HydrophobicContact CZ3-CD2 3.92Å
550	K	82.9	Confident	63.1	Low	116 Å²	116	99.2 Å²	99.2	50%	0.504	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	146.6	163.6	-63.3	176.2	-177	171.9	0	109.1	N533 E534	N533-K550 WeakPolarHBondContact O-CA 3.41Å; E534-K550 HydrophobicContact CB-CG 4.38Å
551	W	79.9	Confident	63.1	Low	36 Å²	36	99.4 Å²	99.4	14%	0.136	53%	0.527	C	S	.	.	S	Bend	trans	-81.9	-34.5	175.5	-55.7	113.4	0	0	0	112.5	N531 H532 N533 W549 G553 F562 I577 F580	N531-W551 PolarHBondContact O-NE1 2.99Å; H532-W551 VanDerWaalsContact C-CD1 3.5Å; H532-W551 VanDerWaalsContact O-CD1 3.28Å; N533-W551 PolarHBondContact O-N 2.93Å; W549-W551 AromaticContact CD1-CD2 3.91Å; W549-W551 AromaticContact CD1-CE3 3.77Å; W549-W551 AromaticContact CD1-CZ3 3.93Å; W549-W551 AromaticContact CE2-CH2 3.91Å; W549-W551 AromaticContact CE2-CZ2 3.97Å; W549-W551 HydrophobicContact CZ2-CH2 4.08Å; W549-W551 HydrophobicContact CZ2-CZ2 4.07Å; W549-W551 AromaticContact NE1-CD2 3.57Å; W549-W551 AromaticContact NE1-CE2 3.39Å; W549-W551 AromaticContact NE1-CE3 3.52Å; W549-W551 AromaticContact NE1-CH2 3.2Å; W549-W551 AromaticContact NE1-CZ2 3.23Å; W549-W551 AromaticContact NE1-CZ3 3.33Å; W549-W551 VanDerWaalsContact NE1-CZ3 3.33Å; W551-G553 VanDerWaalsContact C-N 3.31Å; W551-G553 PolarHBondContact O-N 2.92Å; W551-F562 HydrophobicContact CE3-CD1 4.49Å; W551-F562 HydrophobicContact CE3-CG 4.4Å; W551-F562 HydrophobicContact CH2-CE1 4.42Å; W551-F562 HydrophobicContact CH2-CZ 4.29Å; W551-F562 AromaticContact CZ3-CD1 3.83Å; W551-F562 HydrophobicContact CZ3-CD1 3.83Å; W551-F562 HydrophobicContact CZ3-CD2 4.24Å; W551-F562 AromaticContact CZ3-CE1 3.83Å; W551-F562 HydrophobicContact CZ3-CE1 3.83Å; W551-F562 HydrophobicContact CZ3-CE2 4.23Å; W551-F562 HydrophobicContact CZ3-CG 4.04Å; W551-F562 HydrophobicContact CZ3-CZ 4.03Å; W551-I577 HydrophobicContact CH2-CG2 3.57Å; W551-I577 HydrophobicContact CZ3-CG2 4.24Å; W551-F580 HydrophobicContact CB-CB 4.25Å; W551-F580 HydrophobicContact CD2-CB 3.65Å; W551-F580 HydrophobicContact CE3-CB 3.98Å; W551-F580 HydrophobicContact CG-CB 3.8Å; W551-F580 HydrophobicContact CZ2-CB 4.43Å; W551-F580 HydrophobicContact CZ3-CB 4.5Å
552	S	69.1	Low	63.9	Low	78 Å²	78	99.2 Å²	99.2	55%	0.545	52%	0.52	S	S	.	.	S	Bend	trans	-70.5	88.3	168.2	53.2	0	0	0	0	108.9	E554	S552-E554 VanDerWaalsContact C-N 3.35Å; S552-E554 PolarHBondContact O-N 3.25Å
553	G	60.5	Low	65.1	Low	68 Å²	68	95.7 Å²	95.7	70%	0.701	50%	0.499	S	S	*	.			trans	-66.1	89.9	177.3	0	0	0	0	0	111.7	W551	W551-G553 VanDerWaalsContact C-N 3.31Å; W551-G553 PolarHBondContact O-N 2.92Å
554	E	57.6	Low	66.6	Low	117 Å²	117	94.8 Å²	94.8	55%	0.547	50%	0.497	S	S	.	.			trans	-55.5	148.9	160.8	-72.9	168.2	-164.6	0	0	109.4	S552 H556	S552-E554 VanDerWaalsContact C-N 3.35Å; S552-E554 PolarHBondContact O-N 3.25Å; E554-H556 PolarHBondContact O-CD2 3.1Å; E554-H556 PolarHBondContact O-N 3.13Å
555	K	52.8	Low	68	Low	204 Å²	204	88.5 Å²	88.5	89%	0.887	48%	0.475	S	S	*	.			trans	-76.5	64.7	-171.1	-70.7	-177.6	176.5	179.7	0	112.3	V557	K555-V557 PolarHBondContact O-N 3.36Å; K555-V557 VanDerWaalsContact O-N 3.09Å
556	H	53.9	Low	69.4	Low	120 Å²	120	91 Å²	91	56%	0.556	49%	0.492	S	S	*	.			trans	-65.5	107	170.3	-59.3	-68.1	0	0	0	109.6	E554 H558 A559	E554-H556 PolarHBondContact O-CD2 3.1Å; E554-H556 PolarHBondContact O-N 3.13Å; H556-H558 PolarHBondContact O-N 3.13Å; H556-A559 HydrophobicContact CB-CB 3.85Å; H556-A559 PolarHBondContact O-N 2.89Å
557	V	54.1	Low	70.3	Confident	126 Å²	126	88.6 Å²	88.6	76%	0.764	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.9	-170.3	-174.2	0	0	0	0	113.4	K555	K555-V557 PolarHBondContact O-N 3.36Å; K555-V557 VanDerWaalsContact O-N 3.09Å
558	H	54.4	Low	70.9	Confident	177 Å²	177	89.7 Å²	89.7	82%	0.819	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	7	-174.2	-52.3	-66.3	0	0	0	114.9	H556	H556-H558 PolarHBondContact O-N 3.13Å
559	A	48.7	Very low	71.3	Confident	59 Å²	59	87.6 Å²	87.6	49%	0.488	47%	0.472	S	S	.	.	S	Bend	trans	-118.3	125.9	-177.9	0	0	0	0	0	111.7	H556	H556-A559 HydrophobicContact CB-CB 3.85Å; H556-A559 PolarHBondContact O-N 2.89Å
560	P	52.6	Low	71.4	Confident	99 Å²	99	87.3 Å²	87.3	64%	0.643	47%	0.472	S	S	*	.			trans	-60.7	146.2	174.8	-24.2	34.5	0	0	0	112.5
561	P	66.4	Low	71.6	Confident	118 Å²	118	88.5 Å²	88.5	77%	0.766	48%	0.484	S	S	*	.	S	Bend	trans	-61.5	162.2	173	28.4	-35.9	0	0	0	111.4	Q563	P561-Q563 PolarHBondContact O-N 2.98Å; P561-Q563 VanDerWaalsContact O-N 3.11Å
562	F	73.1	Confident	72	Confident	52 Å²	52	88.2 Å²	88.2	23%	0.228	49%	0.485	C	S	.	.			trans	-36.4	115.2	-175.2	171.6	-98.7	0	0	0	113.6	W549 W551 L565 I577 Y578	W549-F562 HydrophobicContact CB-CD2 3.85Å; W549-F562 HydrophobicContact CB-CE2 4.49Å; W549-F562 AromaticContact CD1-CD2 3.33Å; W549-F562 AromaticContact CD1-CE2 3.71Å; W549-F562 AromaticContact CD2-CD2 3.77Å; W549-F562 HydrophobicContact CD2-CD2 3.77Å; W549-F562 AromaticContact CD2-CE2 3.52Å; W549-F562 HydrophobicContact CD2-CE2 3.52Å; W549-F562 AromaticContact CE2-CD2 4Å; W549-F562 AromaticContact CE2-CE2 3.51Å; W549-F562 HydrophobicContact CE3-CE2 4.11Å; W549-F562 AromaticContact CG-CD2 3.36Å; W549-F562 HydrophobicContact CG-CD2 3.36Å; W549-F562 AromaticContact CG-CE2 3.67Å; W549-F562 HydrophobicContact CG-CE2 3.67Å; W549-F562 HydrophobicContact CG-CG 4.45Å; W549-F562 HydrophobicContact CZ2-CE2 4.12Å; W549-F562 AromaticContact NE1-CD2 3.71Å; W549-F562 AromaticContact NE1-CE2 3.6Å; W551-F562 HydrophobicContact CE3-CD1 4.49Å; W551-F562 HydrophobicContact CE3-CG 4.4Å; W551-F562 HydrophobicContact CH2-CE1 4.42Å; W551-F562 HydrophobicContact CH2-CZ 4.29Å; W551-F562 AromaticContact CZ3-CD1 3.83Å; W551-F562 HydrophobicContact CZ3-CD1 3.83Å; W551-F562 HydrophobicContact CZ3-CD2 4.24Å; W551-F562 AromaticContact CZ3-CE1 3.83Å; W551-F562 HydrophobicContact CZ3-CE1 3.83Å; W551-F562 HydrophobicContact CZ3-CE2 4.23Å; W551-F562 HydrophobicContact CZ3-CG 4.04Å; W551-F562 HydrophobicContact CZ3-CZ 4.03Å; F562-L565 HydrophobicContact CZ-CB 4Å; F562-I577 HydrophobicContact CE1-CG2 3.87Å; F562-I577 HydrophobicContact CZ-CB 4.46Å; F562-I577 HydrophobicContact CZ-CG2 3.58Å; F562-Y578 WeakPolarHBondContact CD1-O 3.31Å; F562-Y578 WeakPolarHBondContact CE1-O 3.25Å
563	Q	77.9	Confident	73.1	Confident	100 Å²	100	84.5 Å²	84.5	47%	0.467	46%	0.459	S	S	.	.			trans	-77.3	126.9	175.4	-69.2	-175.6	-9.1	0	0	110.1	R547 P561 L565	R547-Q563 VanDerWaalsContact NH1-OE1 3.09Å; R547-Q563 VanDerWaalsContact NH2-OE1 3.12Å; P561-Q563 PolarHBondContact O-N 2.98Å; P561-Q563 VanDerWaalsContact O-N 3.11Å; Q563-L565 PolarHBondContact O-N 3Å
564	P	84.9	Confident	74.7	Confident	63 Å²	63	82.4 Å²	82.4	41%	0.409	43%	0.433	S	S	.	.			trans	-48.8	134.7	175.6	-31.8	38	0	0	0	113.6	L9 I577 Y578	L9-P564 HydrophobicContact CD2-CB 3.72Å; L9-P564 HydrophobicContact CD2-CG 3.66Å; P564-I577 CarbonylContact C-O 3.57Å; P564-I577 VanDerWaalsContact CA-O 3.3Å; P564-I577 WeakPolarHBondContact CA-O 3.32Å; P564-Y578 HydrophobicContact CB-CD1 3.97Å; P564-Y578 HydrophobicContact CG-CD1 4.34Å
565	L	86.4	Confident	76.4	Confident	17 Å²	17	76.9 Å²	76.9	9%	0.089	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	-170.9	-178.2	58.7	0	0	0	110	L528 Y537 W549 F562 Q563 I567 I577	L528-L565 HydrophobicContact CD1-CD2 3.87Å; Y537-L565 HydrophobicContact CG-CD2 4.47Å; W549-L565 HydrophobicContact CH2-CD2 3.85Å; W549-L565 HydrophobicContact CZ3-CD2 3.92Å; F562-L565 HydrophobicContact CZ-CB 4Å; Q563-L565 PolarHBondContact O-N 3Å; L565-I567 HydrophobicContact CD1-CD1 4.29Å; L565-I567 HydrophobicContact CD1-CG1 4.18Å; L565-I567 HydrophobicContact CD2-CD1 3.83Å; L565-I567 HydrophobicContact CG-CD1 3.81Å; L565-I567 HydrophobicContact CG-CG1 4Å; L565-I577 HydrophobicContact CB-CB 4.29Å; L565-I577 PolarHBondContact N-O 3.02Å; L565-I577 PolarHBondContact O-N 2.99Å
566	L	89.4	Confident	78.3	Confident	118 Å²	118	68.7 Å²	68.7	62%	0.618	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	114.9	-179.3	-174.3	69.6	0	0	0	109.4	T574 K576	L566-T574 HydrophobicContact CD1-CG2 3.42Å; L566-T574 VanDerWaalsContact CD1-CG2 3.42Å; L566-T574 HydrophobicContact CG-CG2 4.04Å; L566-K576 HydrophobicContact CD1-CD 4.17Å; L566-K576 HydrophobicContact CD1-CG 3.68Å
567	I	89.7	Confident	80.1	Confident	2 Å²	2	63 Å²	63	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.1	-177.3	-63.7	168.2	0	0	0	109.1	L528 Y537 L565 L569 L575	L528-I567 HydrophobicContact CB-CD1 4.43Å; L528-I567 HydrophobicContact CD1-CD1 3.65Å; L528-I567 HydrophobicContact CD2-CD1 3.87Å; L528-I567 HydrophobicContact CG-CD1 4.21Å; Y537-I567 HydrophobicContact CD2-CD1 3.61Å; Y537-I567 HydrophobicContact CD2-CG1 4.41Å; Y537-I567 HydrophobicContact CE2-CD1 3.59Å; Y537-I567 HydrophobicContact CE2-CG1 3.96Å; Y537-I567 HydrophobicContact CG-CD1 4.44Å; L565-I567 HydrophobicContact CD1-CD1 4.29Å; L565-I567 HydrophobicContact CD1-CG1 4.18Å; L565-I567 HydrophobicContact CD2-CD1 3.83Å; L565-I567 HydrophobicContact CG-CD1 3.81Å; L565-I567 HydrophobicContact CG-CG1 4Å; I567-L569 HydrophobicContact CG2-CD2 3.98Å; I567-L569 PolarHBondContact O-N 3.36Å; I567-L575 HydrophobicContact CB-CB 4.45Å; I567-L575 PolarHBondContact N-O 3.23Å; I567-L575 PolarHBondContact O-N 3.47Å
568	K	90.4	Very high	81.6	Confident	134 Å²	134	58 Å²	58	58%	0.583	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.9	163.3	-66.5	-165.9	169.3	-168	0	108.8	R527 T574	R527-K568 PolarHBondContact NH1-O 2.87Å; K568-T574 HydrophobicContact CG-CG2 4.46Å
569	L	89.4	Confident	83	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.063	30%	0.303	C	S	.	.	S	Bend	trans	-84	-48.6	172.5	-59	-169	0	0	0	108.4	V455 I508 F511 V519 I567 I573 L575 L585	V455-L569 HydrophobicContact CG1-CD1 4.18Å; I508-L569 HydrophobicContact CD1-CB 4.27Å; I508-L569 HydrophobicContact CG2-CB 3.78Å; I508-L569 HydrophobicContact CG2-CD1 4.47Å; I508-L569 HydrophobicContact CG2-CD2 4.13Å; I508-L569 HydrophobicContact CG2-CG 4.34Å; F511-L569 HydrophobicContact CE2-CD1 4.44Å; F511-L569 HydrophobicContact CZ-CD1 4.28Å; V519-L569 HydrophobicContact CB-CD2 4.48Å; V519-L569 HydrophobicContact CG1-CD2 3.63Å; V519-L569 HydrophobicContact CG2-CD2 3.94Å; I567-L569 HydrophobicContact CG2-CD2 3.98Å; I567-L569 PolarHBondContact O-N 3.36Å; L569-I573 HydrophobicContact CB-CB 4.3Å; L569-I573 HydrophobicContact CB-CG2 4.32Å; L569-I573 WeakPolarHBondContact CB-O 3.44Å; L569-I573 HydrophobicContact CD1-CG2 3.88Å; L569-I573 HydrophobicContact CG-CG2 4.36Å; L569-I573 PolarHBondContact N-O 3.04Å; L569-L575 HydrophobicContact CD1-CB 4.34Å; L569-L575 HydrophobicContact CD2-CB 4.14Å; L569-L575 HydrophobicContact CG-CB 4.19Å; L569-L585 HydrophobicContact CD1-CD2 3.79Å
570	N	86.3	Confident	84.6	Confident	17 Å²	17	58 Å²	58	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-147.1	-163.4	161.8	64.5	14.7	0	0	0	110.1	Y427 D457 I508 I572 I573	Y427-N570 PolarHBondContact OH-ND2 2.77Å; D457-N570 WeakPolarHBondContact OD1-CB 3.21Å; D457-N570 PolarHBondContact OD1-ND2 3.28Å; I508-N570 HydrophobicContact CD1-CB 4.24Å; N570-I572 VanDerWaalsContact C-N 3.25Å; N570-I572 PolarHBondContact O-N 3.15Å; N570-I572 PolarHBondContact OD1-N 3.28Å; N570-I573 PolarHBondContact N-O 3.21Å; N570-I573 PolarHBondContact OD1-N 3.31Å
571	D	85.6	Confident	86	Confident	141 Å²	141	57.7 Å²	57.7	75%	0.754	29%	0.288	S	S	*	.	S	Bend	trans	-70.4	-19.8	-174.9	-61.6	-41.9	0	0	0	113.9
572	I	89.1	Confident	87.1	Confident	30 Å²	30	56 Å²	56	15%	0.154	27%	0.268	C	S	.	.	S	Bend	trans	-104.8	-32	-178.9	-69.1	173	0	0	0	111.7	Y427 N570 F587 Q588 T589	Y427-I572 HydrophobicContact CD1-CB 4.33Å; Y427-I572 HydrophobicContact CD1-CD1 3.64Å; Y427-I572 HydrophobicContact CD1-CG2 4.04Å; Y427-I572 HydrophobicContact CE1-CB 3.93Å; Y427-I572 HydrophobicContact CE1-CD1 4.04Å; Y427-I572 HydrophobicContact CE1-CG2 3.81Å; N570-I572 VanDerWaalsContact C-N 3.25Å; N570-I572 PolarHBondContact O-N 3.15Å; N570-I572 PolarHBondContact OD1-N 3.28Å; I572-F587 HydrophobicContact CG2-CD1 4.17Å; I572-F587 HydrophobicContact CG2-CD2 3.81Å; I572-F587 HydrophobicContact CG2-CE1 3.92Å; I572-F587 HydrophobicContact CG2-CE2 3.54Å; I572-F587 HydrophobicContact CG2-CG 4.1Å; I572-F587 HydrophobicContact CG2-CZ 3.6Å; I572-F587 WeakPolarHBondContact O-CA 3.14Å; I572-Q588 PolarHBondContact O-N 3.06Å; I572-T589 HydrophobicContact CG2-CG2 4.33Å
573	I	92.2	Very high	87.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	-174.5	-51.2	-176.1	0	0	0	111.4	Y427 A433 I434 V455 L569 N570 L585 H586 F587	Y427-I573 HydrophobicContact CE1-CD1 4.17Å; Y427-I573 HydrophobicContact CE1-CG1 4.24Å; Y427-I573 WeakPolarHBondContact OH-CD1 2.99Å; A433-I573 HydrophobicContact CB-CD1 4.32Å; I434-I573 HydrophobicContact CD1-CD1 4.06Å; I434-I573 HydrophobicContact CG1-CD1 3.77Å; V455-I573 HydrophobicContact CG1-CD1 3.74Å; V455-I573 HydrophobicContact CG1-CG2 4.44Å; L569-I573 HydrophobicContact CB-CB 4.3Å; L569-I573 HydrophobicContact CB-CG2 4.32Å; L569-I573 WeakPolarHBondContact CB-O 3.44Å; L569-I573 HydrophobicContact CD1-CG2 3.88Å; L569-I573 HydrophobicContact CG-CG2 4.36Å; L569-I573 PolarHBondContact N-O 3.04Å; N570-I573 PolarHBondContact N-O 3.21Å; N570-I573 PolarHBondContact OD1-N 3.31Å; I573-L585 HydrophobicContact CG2-CD2 4.11Å; I573-H586 WeakPolarHBondContact CA-O 3.42Å; I573-F587 HydrophobicContact CD1-CD2 3.99Å; I573-F587 HydrophobicContact CD1-CE2 4.36Å; I573-F587 HydrophobicContact CG1-CD2 3.74Å; I573-F587 HydrophobicContact CG1-CE2 4.27Å
574	T	93.8	Very high	88.6	Confident	25 Å²	25	49.4 Å²	49.4	15%	0.153	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.2	176	-61.4	0	0	0	0	111.1	L566 K568 H586	L566-T574 HydrophobicContact CD1-CG2 3.42Å; L566-T574 VanDerWaalsContact CD1-CG2 3.42Å; L566-T574 HydrophobicContact CG-CG2 4.04Å; K568-T574 HydrophobicContact CG-CG2 4.46Å; T574-H586 PolarHBondContact N-O 3.13Å; T574-H586 PolarHBondContact O-N 2.79Å
575	L	94.1	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.5	172.1	177.6	64.7	0	0	0	109.6	F511 V519 L528 I567 L569 I577 I583 L585 L598	F511-L575 HydrophobicContact CE1-CD1 4.12Å; F511-L575 HydrophobicContact CE1-CD2 3.77Å; F511-L575 HydrophobicContact CZ-CD1 4.28Å; F511-L575 HydrophobicContact CZ-CD2 3.99Å; V519-L575 HydrophobicContact CG2-CD2 3.99Å; L528-L575 HydrophobicContact CD2-CD2 3.49Å; L528-L575 VanDerWaalsContact CD2-CD2 3.49Å; I567-L575 HydrophobicContact CB-CB 4.45Å; I567-L575 PolarHBondContact N-O 3.23Å; I567-L575 PolarHBondContact O-N 3.47Å; L569-L575 HydrophobicContact CD1-CB 4.34Å; L569-L575 HydrophobicContact CD2-CB 4.14Å; L569-L575 HydrophobicContact CG-CB 4.19Å; L575-I577 HydrophobicContact CD1-CG1 4.32Å; L575-I577 HydrophobicContact CD2-CD1 4.02Å; L575-I577 HydrophobicContact CD2-CG1 4.42Å; L575-I577 HydrophobicContact CG-CD1 4.26Å; L575-I577 HydrophobicContact CG-CG1 4.12Å; L575-I583 HydrophobicContact CD1-CG2 3.87Å; L575-L585 HydrophobicContact CB-CD2 4.1Å; L575-L585 HydrophobicContact CD1-CD2 3.86Å; L575-L598 HydrophobicContact CD1-CD1 3.79Å
576	K	92.5	Very high	89.4	Confident	33 Å²	33	46.1 Å²	46.1	14%	0.143	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.8	174.2	-57.3	-157.8	-174.2	172.1	0	109.9	E15 L566 Y578 I583 H584 H586	E15-K576 IonicContact OE1-NZ 3.69Å; E15-K576 PolarHBondContact OE1-NZ 2.91Å; L566-K576 HydrophobicContact CD1-CD 4.17Å; L566-K576 HydrophobicContact CD1-CG 3.68Å; K576-Y578 HydrophobicContact CB-CD2 4.45Å; K576-Y578 HydrophobicContact CB-CE2 3.78Å; K576-Y578 HydrophobicContact CD-CE2 4.2Å; K576-Y578 WeakPolarHBondContact CD-OH 3.39Å; K576-I583 WeakPolarHBondContact O-CA 3.4Å; K576-H584 PolarHBondContact N-O 2.92Å; K576-H584 PolarHBondContact O-N 2.79Å; K576-H586 WeakPolarHBondContact CD-NE2 3.31Å; K576-H586 WeakPolarHBondContact CE-NE2 3.48Å; K576-H586 PolarHBondContact NZ-CE1 3.04Å
577	I	91.2	Very high	89.5	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.2	175.4	-66.5	169	0	0	0	108.4	L528 Y530 W551 F562 P564 L565 L575 I583	L528-I577 HydrophobicContact CD2-CD1 3.79Å; Y530-I577 HydrophobicContact CD1-CD1 4.04Å; Y530-I577 HydrophobicContact CE1-CD1 4Å; W551-I577 HydrophobicContact CH2-CG2 3.57Å; W551-I577 HydrophobicContact CZ3-CG2 4.24Å; F562-I577 HydrophobicContact CE1-CG2 3.87Å; F562-I577 HydrophobicContact CZ-CB 4.46Å; F562-I577 HydrophobicContact CZ-CG2 3.58Å; P564-I577 CarbonylContact C-O 3.57Å; P564-I577 VanDerWaalsContact CA-O 3.3Å; P564-I577 WeakPolarHBondContact CA-O 3.32Å; L565-I577 HydrophobicContact CB-CB 4.29Å; L565-I577 PolarHBondContact N-O 3.02Å; L565-I577 PolarHBondContact O-N 2.99Å; L575-I577 HydrophobicContact CD1-CG1 4.32Å; L575-I577 HydrophobicContact CD2-CD1 4.02Å; L575-I577 HydrophobicContact CD2-CG1 4.42Å; L575-I577 HydrophobicContact CG-CD1 4.26Å; L575-I577 HydrophobicContact CG-CG1 4.12Å; I577-I583 HydrophobicContact CG1-CG1 4.35Å; I577-I583 HydrophobicContact CG1-CG2 3.72Å; I577-I583 HydrophobicContact CG2-CD1 4.47Å; I577-I583 HydrophobicContact CG2-CG1 4.28Å
578	Y	85.9	Confident	89.5	Confident	20 Å²	20	46 Å²	46	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-43.8	179.7	-59.3	-77	0	0	0	112.9	L9 F562 P564 K576 K582 H584	L9-Y578 HydrophobicContact CD1-CD1 3.95Å; L9-Y578 HydrophobicContact CD1-CE1 3.43Å; L9-Y578 VanDerWaalsContact CD1-CE1 3.43Å; L9-Y578 HydrophobicContact CD2-CD1 3.61Å; L9-Y578 HydrophobicContact CD2-CE1 3.55Å; L9-Y578 HydrophobicContact CG-CD1 4.4Å; L9-Y578 HydrophobicContact CG-CE1 3.99Å; F562-Y578 WeakPolarHBondContact CD1-O 3.31Å; F562-Y578 WeakPolarHBondContact CE1-O 3.25Å; P564-Y578 HydrophobicContact CB-CD1 3.97Å; P564-Y578 HydrophobicContact CG-CD1 4.34Å; K576-Y578 HydrophobicContact CB-CD2 4.45Å; K576-Y578 HydrophobicContact CB-CE2 3.78Å; K576-Y578 HydrophobicContact CD-CE2 4.2Å; K576-Y578 WeakPolarHBondContact CD-OH 3.39Å; Y578-K582 WeakPolarHBondContact CB-O 3.38Å; Y578-K582 HydrophobicContact CD2-CD 4.17Å; Y578-K582 HydrophobicContact CD2-CG 3.9Å; Y578-K582 WeakPolarHBondContact CD2-O 3.46Å; Y578-K582 HydrophobicContact CG-CD 4.25Å; Y578-K582 HydrophobicContact CG-CG 4.32Å; Y578-K582 PolarHBondContact N-O 3.07Å; Y578-H584 AromaticContact CD2-CE1 3.96Å; Y578-H584 AromaticContact CD2-ND1 3.65Å; Y578-H584 AromaticContact CE2-CE1 3.91Å; Y578-H584 AromaticContact CE2-ND1 3.49Å; Y578-H584 WeakPolarHBondContact CE2-ND1 3.49Å
579	R	82.9	Confident	89.3	Confident	162 Å²	162	40.8 Å²	40.8	61%	0.611	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-155.3	170.1	172.2	-65.7	-169.2	179.9	162.3	2.5	107.9	N581 K582 I583	R579-N581 PolarHBondContact O-N 3.3Å; R579-N581 VanDerWaalsContact O-N 3.1Å; R579-K582 CarbonylContact O-C 3.47Å; R579-K582 PolarHBondContact O-N 2.68Å; R579-I583 WeakPolarHBondContact O-CG1 3.41Å
580	F	82.9	Confident	88.9	Confident	74 Å²	74	45 Å²	45	33%	0.325	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-37.2	178.3	76.2	-80.3	0	0	0	113.5	I515 H532 W551 T599	I515-F580 HydrophobicContact CD1-CD2 3.96Å; I515-F580 HydrophobicContact CG2-CB 4.38Å; H532-F580 AromaticContact CE1-CD2 3.7Å; H532-F580 AromaticContact CE1-CE2 3.83Å; W551-F580 HydrophobicContact CB-CB 4.25Å; W551-F580 HydrophobicContact CD2-CB 3.65Å; W551-F580 HydrophobicContact CE3-CB 3.98Å; W551-F580 HydrophobicContact CG-CB 3.8Å; W551-F580 HydrophobicContact CZ2-CB 4.43Å; W551-F580 HydrophobicContact CZ3-CB 4.5Å; F580-T599 WeakPolarHBondContact O-CG2 3.29Å
581	N	82.5	Confident	88.7	Confident	93 Å²	93	51.8 Å²	51.8	50%	0.497	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	19.2	179.7	70.6	-23.8	0	0	0	114.4	R579 T599	R579-N581 PolarHBondContact O-N 3.3Å; R579-N581 VanDerWaalsContact O-N 3.1Å; N581-T599 PolarHBondContact O-OG1 3.28Å
582	K	88.1	Confident	88.5	Confident	82 Å²	82	45.1 Å²	45.1	36%	0.357	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	73.3	-179.5	-167.7	-179.1	175.1	-177.2	0	109.5	G13 Y578 R579	G13-K582 PolarHBondContact O-NZ 2.8Å; Y578-K582 WeakPolarHBondContact CB-O 3.38Å; Y578-K582 HydrophobicContact CD2-CD 4.17Å; Y578-K582 HydrophobicContact CD2-CG 3.9Å; Y578-K582 WeakPolarHBondContact CD2-O 3.46Å; Y578-K582 HydrophobicContact CG-CD 4.25Å; Y578-K582 HydrophobicContact CG-CG 4.32Å; Y578-K582 PolarHBondContact N-O 3.07Å; R579-K582 CarbonylContact O-C 3.47Å; R579-K582 PolarHBondContact O-N 2.68Å
583	I	91.6	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.2	179.6	-52.5	178.9	0	0	0	109.2	I515 Y530 L575 K576 I577 R579 L598 T599	I515-I583 HydrophobicContact CG2-CD1 4.31Å; Y530-I583 HydrophobicContact CD2-CD1 4.17Å; Y530-I583 HydrophobicContact CE1-CD1 4.42Å; Y530-I583 HydrophobicContact CE2-CD1 3.55Å; L575-I583 HydrophobicContact CD1-CG2 3.87Å; K576-I583 WeakPolarHBondContact O-CA 3.4Å; I577-I583 HydrophobicContact CG1-CG1 4.35Å; I577-I583 HydrophobicContact CG1-CG2 3.72Å; I577-I583 HydrophobicContact CG2-CD1 4.47Å; I577-I583 HydrophobicContact CG2-CG1 4.28Å; R579-I583 WeakPolarHBondContact O-CG1 3.41Å; I583-L598 HydrophobicContact CB-CB 4.34Å; I583-L598 HydrophobicContact CG2-CB 4.18Å; I583-L598 HydrophobicContact CG2-CD1 3.97Å; I583-L598 PolarHBondContact O-N 3.04Å; I583-T599 HydrophobicContact CB-CG2 3.87Å; I583-T599 HydrophobicContact CD1-CG2 4.4Å; I583-T599 HydrophobicContact CG1-CG2 4.01Å
584	H	93	Very high	88.2	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.06	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.9	-176.2	-47.7	93.4	0	0	0	113.1	K576 Y578 K595 L596	K576-H584 PolarHBondContact N-O 2.92Å; K576-H584 PolarHBondContact O-N 2.79Å; Y578-H584 AromaticContact CD2-CE1 3.96Å; Y578-H584 AromaticContact CD2-ND1 3.65Å; Y578-H584 AromaticContact CE2-CE1 3.91Å; Y578-H584 AromaticContact CE2-ND1 3.49Å; Y578-H584 WeakPolarHBondContact CE2-ND1 3.49Å; H584-K595 HydrophobicContact CB-CG 4.24Å; H584-K595 WeakPolarHBondContact CD2-CE 3.16Å; H584-K595 WeakPolarHBondContact NE2-CE 3.1Å; H584-K595 PolarHBondContact NE2-NZ 2.98Å; H584-L596 CarbonylContact C-O 3.59Å; H584-L596 WeakPolarHBondContact CA-O 3.21Å; H584-L596 VanDerWaalsContact CB-O 3.31Å; H584-L596 WeakPolarHBondContact CB-O 3.33Å
585	L	93.6	Very high	88.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.4	157.8	-66.8	172.9	0	0	0	108.7	I434 V455 F511 L569 I573 L575 K595 L596 L598	I434-L585 HydrophobicContact CD1-CB 4.48Å; I434-L585 HydrophobicContact CD1-CD1 4.04Å; I434-L585 HydrophobicContact CG2-CD1 4.4Å; V455-L585 HydrophobicContact CG2-CD1 3.63Å; F511-L585 HydrophobicContact CD2-CD1 4.24Å; F511-L585 HydrophobicContact CE2-CD1 4.2Å; F511-L585 HydrophobicContact CE2-CD2 4.03Å; F511-L585 HydrophobicContact CZ-CD2 4.34Å; L569-L585 HydrophobicContact CD1-CD2 3.79Å; I573-L585 HydrophobicContact CG2-CD2 4.11Å; L575-L585 HydrophobicContact CB-CD2 4.1Å; L575-L585 HydrophobicContact CD1-CD2 3.86Å; L585-K595 CarbonylContact O-C 3.5Å; L585-K595 WeakPolarHBondContact O-CA 3.37Å; L585-L596 HydrophobicContact CB-CB 4.39Å; L585-L596 HydrophobicContact CB-CD1 4.16Å; L585-L596 PolarHBondContact N-O 3.35Å; L585-L596 PolarHBondContact O-N 3.26Å; L585-L598 HydrophobicContact CD1-CD1 4.3Å; L585-L598 HydrophobicContact CD1-CD2 3.97Å; L585-L598 HydrophobicContact CD1-CG 4.46Å; L585-L598 HydrophobicContact CD2-CD1 4.26Å; L585-L598 HydrophobicContact CG-CD1 3.77Å; L585-L598 HydrophobicContact CG-CD2 4.11Å; L585-L598 HydrophobicContact CG-CG 4.06Å
586	H	92.9	Very high	87.9	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.3	163.8	-78.2	-115.2	0	0	0	108.5	I573 T574 K576	I573-H586 WeakPolarHBondContact CA-O 3.42Å; T574-H586 PolarHBondContact N-O 3.13Å; T574-H586 PolarHBondContact O-N 2.79Å; K576-H586 WeakPolarHBondContact CD-NE2 3.31Å; K576-H586 WeakPolarHBondContact CE-NE2 3.48Å; K576-H586 PolarHBondContact NZ-CE1 3.04Å
587	F	91.7	Very high	87.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.5	171.5	-178.7	-76.4	0	0	0	107.7	Y408 F414 I425 F426 Y427 A433 I434 I572 I573 T589 C594	Y408-F587 VanDerWaalsContact OH-CE1 3.3Å; Y408-F587 WeakPolarHBondContact OH-CE1 3.45Å; Y408-F587 VanDerWaalsContact OH-CZ 3.25Å; Y408-F587 WeakPolarHBondContact OH-CZ 3.38Å; F414-F587 HydrophobicContact CD2-CE1 4.01Å; F414-F587 AromaticContact CE2-CD1 3.65Å; F414-F587 HydrophobicContact CE2-CD1 3.65Å; F414-F587 AromaticContact CE2-CE1 3.42Å; F414-F587 HydrophobicContact CE2-CE1 3.42Å; F414-F587 VanDerWaalsContact CE2-CE1 3.42Å; F414-F587 HydrophobicContact CE2-CG 4.49Å; F414-F587 HydrophobicContact CE2-CZ 4.1Å; F414-F587 HydrophobicContact CZ-CD1 4.32Å; F414-F587 HydrophobicContact CZ-CE1 4.47Å; I425-F587 HydrophobicContact CG2-CD1 4.4Å; I425-F587 HydrophobicContact CG2-CD2 3.82Å; I425-F587 HydrophobicContact CG2-CE1 4.24Å; I425-F587 HydrophobicContact CG2-CE2 3.65Å; I425-F587 HydrophobicContact CG2-CG 4.22Å; I425-F587 HydrophobicContact CG2-CZ 3.88Å; F426-F587 VanDerWaalsContact O-CZ 3.26Å; F426-F587 WeakPolarHBondContact O-CZ 3.39Å; Y427-F587 AromaticContact CD1-CE2 3.89Å; Y427-F587 HydrophobicContact CD1-CE2 3.89Å; Y427-F587 HydrophobicContact CD1-CZ 4.06Å; Y427-F587 AromaticContact CE1-CE2 3.84Å; Y427-F587 HydrophobicContact CE1-CE2 3.84Å; Y427-F587 HydrophobicContact CE1-CZ 4.43Å; A433-F587 HydrophobicContact CB-CE2 3.74Å; I434-F587 HydrophobicContact CD1-CB 4.43Å; I434-F587 HydrophobicContact CD1-CD2 4.17Å; I572-F587 HydrophobicContact CG2-CD1 4.17Å; I572-F587 HydrophobicContact CG2-CD2 3.81Å; I572-F587 HydrophobicContact CG2-CE1 3.92Å; I572-F587 HydrophobicContact CG2-CE2 3.54Å; I572-F587 HydrophobicContact CG2-CG 4.1Å; I572-F587 HydrophobicContact CG2-CZ 3.6Å; I572-F587 WeakPolarHBondContact O-CA 3.14Å; I573-F587 HydrophobicContact CD1-CD2 3.99Å; I573-F587 HydrophobicContact CD1-CE2 4.36Å; I573-F587 HydrophobicContact CG1-CD2 3.74Å; I573-F587 HydrophobicContact CG1-CE2 4.27Å; F587-T589 HydrophobicContact CD1-CG2 4.42Å; F587-T589 HydrophobicContact CE1-CG2 3.52Å; F587-T589 HydrophobicContact CZ-CG2 4.05Å; F587-C594 HydrophobicContact CB-CB 4.5Å; F587-C594 PolarHBondContact N-O 2.99Å; F587-C594 PolarHBondContact O-N 3.34Å
588	Q	90.5	Very high	87.8	Confident	117 Å²	117	45.5 Å²	45.5	55%	0.547	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.2	-173.6	172.4	167.8	-4.3	0	0	111.1	I572 I592 I593	I572-Q588 PolarHBondContact O-N 3.06Å; Q588-I592 WeakPolarHBondContact CA-O 3.3Å; Q588-I593 HydrophobicContact CB-CG2 4.42Å; Q588-I593 HydrophobicContact CG-CG1 4.17Å
589	T	85.8	Confident	87.8	Confident	24 Å²	24	46.1 Å²	46.1	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	148.1	175.4	-167.1	0	0	0	0	111.8	Y408 P428 I572 F587 K591 I592	Y408-T589 HydrophobicContact CE1-CG2 3.67Å; Y408-T589 WeakPolarHBondContact OH-CG2 3.28Å; P428-T589 HydrophobicContact CG-CG2 3.42Å; P428-T589 VanDerWaalsContact CG-CG2 3.42Å; P428-T589 WeakPolarHBondContact CG-OG1 3.32Å; I572-T589 HydrophobicContact CG2-CG2 4.33Å; F587-T589 HydrophobicContact CD1-CG2 4.42Å; F587-T589 HydrophobicContact CE1-CG2 3.52Å; F587-T589 HydrophobicContact CZ-CG2 4.05Å; T589-K591 PolarHBondContact O-N 3.26Å; T589-I592 PolarHBondContact N-O 3.36Å; T589-I592 PolarHBondContact O-N 2.73Å; T589-I592 VanDerWaalsContact O-O 3.08Å
590	M	81.1	Confident	87.8	Confident	102 Å²	102	39 Å²	39	50%	0.502	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-128.9	-172.4	-52.9	-176.6	79	0	0	110.8	Y408 S409 P428	Y408-M590 HydrophobicContact CD1-SD 3.93Å; Y408-M590 HydrophobicContact CG-SD 4.39Å; S409-M590 WeakPolarHBondContact OG-CE 3.39Å; P428-M590 HydrophobicContact CB-CG 4.46Å; P428-M590 HydrophobicContact CB-SD 3.85Å; P428-M590 HydrophobicContact CG-CG 4.25Å; P428-M590 HydrophobicContact CG-SD 4.21Å
591	K	81.1	Confident	87.6	Confident	158 Å²	158	40.6 Å²	40.6	69%	0.687	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	4.2	174.7	-60.6	-173.5	178.9	-175.7	0	113.9	T589 T610	T589-K591 PolarHBondContact O-N 3.26Å; K591-T610 WeakPolarHBondContact O-CG2 3.44Å; K591-T610 PolarHBondContact O-OG1 3.35Å
592	I	82.8	Confident	87.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.1	-176	-56.9	-170.5	0	0	0	110.1	Y408 F414 Q588 T589 C594 W607 Y613	Y408-I592 HydrophobicContact CD1-CD1 3.58Å; Y408-I592 HydrophobicContact CD1-CG1 4.26Å; Y408-I592 HydrophobicContact CE1-CD1 3.7Å; Y408-I592 HydrophobicContact CE1-CG1 4.3Å; Y408-I592 HydrophobicContact CG-CD1 4.43Å; F414-I592 HydrophobicContact CB-CD1 3.84Å; F414-I592 HydrophobicContact CD1-CD1 3.8Å; F414-I592 HydrophobicContact CD1-CG2 4.22Å; F414-I592 HydrophobicContact CD2-CD1 4.09Å; F414-I592 HydrophobicContact CD2-CG2 4.34Å; F414-I592 HydrophobicContact CE1-CD1 4.49Å; F414-I592 HydrophobicContact CE1-CG2 3.89Å; F414-I592 HydrophobicContact CE2-CG2 3.99Å; F414-I592 HydrophobicContact CG-CD1 3.58Å; F414-I592 HydrophobicContact CG-CG2 4.45Å; F414-I592 HydrophobicContact CZ-CG2 3.77Å; Q588-I592 WeakPolarHBondContact CA-O 3.3Å; T589-I592 PolarHBondContact N-O 3.36Å; T589-I592 PolarHBondContact O-N 2.73Å; T589-I592 VanDerWaalsContact O-O 3.08Å; I592-C594 HydrophobicContact CG2-CB 4.36Å; I592-W607 HydrophobicContact CG2-CZ3 4.06Å; I592-Y613 HydrophobicContact CD1-CD2 4.38Å; I592-Y613 HydrophobicContact CD1-CE2 3.7Å; I592-Y613 HydrophobicContact CG1-CD2 4.31Å; I592-Y613 HydrophobicContact CG1-CE2 3.66Å
593	I	87	Confident	86.8	Confident	38 Å²	38	39.5 Å²	39.5	20%	0.195	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	103.7	167.1	-46.2	178.4	0	0	0	107.3	Q588 I608	Q588-I593 HydrophobicContact CB-CG2 4.42Å; Q588-I593 HydrophobicContact CG-CG1 4.17Å; I593-I608 HydrophobicContact CB-CB 3.98Å; I593-I608 WeakPolarHBondContact CB-O 3.36Å; I593-I608 HydrophobicContact CG2-CB 3.94Å; I593-I608 HydrophobicContact CG2-CD1 4.19Å; I593-I608 HydrophobicContact CG2-CG1 4.5Å; I593-I608 HydrophobicContact CG2-CG2 4.49Å; I593-I608 PolarHBondContact O-N 3.09Å
594	C	87.4	Confident	86.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	180	-171.4	0	0	0	0	109.7	F414 F587 I592	F414-C594 HydrophobicContact CE1-CB 4.42Å; F414-C594 HydrophobicContact CZ-CB 3.77Å; F587-C594 HydrophobicContact CB-CB 4.5Å; F587-C594 PolarHBondContact N-O 2.99Å; F587-C594 PolarHBondContact O-N 3.34Å; I592-C594 HydrophobicContact CG2-CB 4.36Å
595	K	90.9	Very high	85.7	Confident	29 Å²	29	45 Å²	45	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	178.9	170.8	-169.7	169.4	-156.3	0	109.1	H584 L585 Q606 I608	H584-K595 HydrophobicContact CB-CG 4.24Å; H584-K595 WeakPolarHBondContact CD2-CE 3.16Å; H584-K595 WeakPolarHBondContact NE2-CE 3.1Å; H584-K595 PolarHBondContact NE2-NZ 2.98Å; L585-K595 CarbonylContact O-C 3.5Å; L585-K595 WeakPolarHBondContact O-CA 3.37Å; K595-Q606 HydrophobicContact CB-CB 4.17Å; K595-Q606 HydrophobicContact CD-CB 4.34Å; K595-Q606 PolarHBondContact N-O 3.11Å; K595-Q606 PolarHBondContact O-N 3.29Å; K595-I608 HydrophobicContact CB-CD1 4.3Å; K595-I608 HydrophobicContact CD-CD1 4.44Å
596	L	91.2	Very high	85	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129	177.5	-56.9	88.5	0	0	0	109.5	I425 I434 F453 H584 L585 L598 L605	I425-L596 HydrophobicContact CD1-CD1 3.95Å; I425-L596 HydrophobicContact CD1-CD2 3.94Å; I425-L596 HydrophobicContact CD1-CG 4.33Å; I434-L596 HydrophobicContact CD1-CD1 3.9Å; I434-L596 HydrophobicContact CD1-CD2 4.47Å; I434-L596 HydrophobicContact CG2-CD2 4.33Å; F453-L596 HydrophobicContact CD1-CD2 4.17Å; F453-L596 HydrophobicContact CE1-CD2 3.97Å; H584-L596 CarbonylContact C-O 3.59Å; H584-L596 WeakPolarHBondContact CA-O 3.21Å; H584-L596 VanDerWaalsContact CB-O 3.31Å; H584-L596 WeakPolarHBondContact CB-O 3.33Å; L585-L596 HydrophobicContact CB-CB 4.39Å; L585-L596 HydrophobicContact CB-CD1 4.16Å; L585-L596 PolarHBondContact N-O 3.35Å; L585-L596 PolarHBondContact O-N 3.26Å; L596-L598 PolarHBondContact O-N 2.98Å; L596-L605 HydrophobicContact CD2-CD2 3.89Å; L596-L605 HydrophobicContact CG-CD2 3.73Å
597	D	90.5	Very high	84.1	Confident	27 Å²	27	51.4 Å²	51.4	14%	0.144	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.5	169	177.9	4.2	0	0	0	110.1	T599 S600 K604	D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 WeakPolarHBondContact OD1-CA 3.42Å; D597-T599 PolarHBondContact OD1-N 3.05Å; D597-T599 PolarHBondContact OD1-OG1 2.73Å; D597-S600 PolarHBondContact OD1-N 3.11Å; D597-S600 VanDerWaalsContact OD2-CB 3.29Å; D597-S600 WeakPolarHBondContact OD2-CB 3.38Å; D597-S600 PolarHBondContact OD2-OG 3.23Å; D597-K604 HydrophobicContact CB-CB 4.17Å; D597-K604 PolarHBondContact N-O 2.91Å
598	L	89.7	Confident	82.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.8	177.7	-70.6	-174.6	0	0	0	113.2	F453 F511 S513 L575 I583 L585 L596	F453-L598 HydrophobicContact CB-CD2 3.93Å; F453-L598 HydrophobicContact CD1-CD2 3.92Å; F453-L598 HydrophobicContact CD2-CD2 3.42Å; F453-L598 VanDerWaalsContact CD2-CD2 3.42Å; F453-L598 HydrophobicContact CE1-CD2 4.25Å; F453-L598 HydrophobicContact CE2-CD2 3.79Å; F453-L598 HydrophobicContact CG-CD2 3.48Å; F453-L598 VanDerWaalsContact CG-CD2 3.48Å; F453-L598 HydrophobicContact CZ-CD2 4.19Å; F511-L598 HydrophobicContact CB-CD1 3.82Å; F511-L598 HydrophobicContact CB-CD2 4.06Å; F511-L598 HydrophobicContact CB-CG 4.47Å; F511-L598 HydrophobicContact CD1-CD1 3.89Å; F511-L598 HydrophobicContact CD2-CD1 3.93Å; F511-L598 HydrophobicContact CD2-CD2 4.48Å; F511-L598 HydrophobicContact CE1-CD1 4.44Å; F511-L598 HydrophobicContact CE2-CD1 4.48Å; F511-L598 HydrophobicContact CG-CD1 3.59Å; F511-L598 HydrophobicContact CG-CD2 4.45Å; S513-L598 VanDerWaalsContact CA-O 3.31Å; S513-L598 WeakPolarHBondContact CA-O 3.32Å; L575-L598 HydrophobicContact CD1-CD1 3.79Å; I583-L598 HydrophobicContact CB-CB 4.34Å; I583-L598 HydrophobicContact CG2-CB 4.18Å; I583-L598 HydrophobicContact CG2-CD1 3.97Å; I583-L598 PolarHBondContact O-N 3.04Å; L585-L598 HydrophobicContact CD1-CD1 4.3Å; L585-L598 HydrophobicContact CD1-CD2 3.97Å; L585-L598 HydrophobicContact CD1-CG 4.46Å; L585-L598 HydrophobicContact CD2-CD1 4.26Å; L585-L598 HydrophobicContact CG-CD1 3.77Å; L585-L598 HydrophobicContact CG-CD2 4.11Å; L585-L598 HydrophobicContact CG-CG 4.06Å; L596-L598 PolarHBondContact O-N 2.98Å
599	T	85.9	Confident	80.7	Confident	33 Å²	33	56.8 Å²	56.8	20%	0.202	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-1.1	-179.2	56.7	0	0	0	0	113.5	I515 F580 N581 I583 D597	I515-T599 HydrophobicContact CG1-CG2 4.35Å; F580-T599 WeakPolarHBondContact O-CG2 3.29Å; N581-T599 PolarHBondContact O-OG1 3.28Å; I583-T599 HydrophobicContact CB-CG2 3.87Å; I583-T599 HydrophobicContact CD1-CG2 4.4Å; I583-T599 HydrophobicContact CG1-CG2 4.01Å; D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 WeakPolarHBondContact OD1-CA 3.42Å; D597-T599 PolarHBondContact OD1-N 3.05Å; D597-T599 PolarHBondContact OD1-OG1 2.73Å
600	S	84.6	Confident	79.2	Confident	13 Å²	13	56.2 Å²	56.2	9%	0.091	27%	0.27	C	S	.	.			trans	-92.3	138.2	174.2	-87.6	0	0	0	0	112.9	D597 Q602 K604	D597-S600 PolarHBondContact OD1-N 3.11Å; D597-S600 VanDerWaalsContact OD2-CB 3.29Å; D597-S600 WeakPolarHBondContact OD2-CB 3.38Å; D597-S600 PolarHBondContact OD2-OG 3.23Å; S600-Q602 VanDerWaalsContact CB-O 3.25Å; S600-Q602 WeakPolarHBondContact CB-O 3.48Å; S600-Q602 PolarHBondContact O-N 3.08Å; S600-K604 WeakPolarHBondContact OG-CD 3.2Å; S600-K604 VanDerWaalsContact OG-CE 3.31Å; S600-K604 WeakPolarHBondContact OG-CE 3.43Å; S600-K604 PolarHBondContact OG-NZ 3.4Å
601	K	77.6	Confident	77.8	Confident	108 Å²	108	56.6 Å²	56.6	47%	0.47	27%	0.27	S	S	.	.	S	Bend	trans	-72.6	-5.8	171.3	-63.2	175.1	173.5	-91.6	0	114	V449	V449-K601 VanDerWaalsContact O-CD 3.24Å; V449-K601 WeakPolarHBondContact O-CD 3.33Å; V449-K601 WeakPolarHBondContact O-CE 3.4Å; V449-K601 VanDerWaalsContact O-CG 3.3Å; V449-K601 WeakPolarHBondContact O-CG 3.37Å; V449-K601 PolarHBondContact O-NZ 2.97Å
602	Q	76.9	Confident	76.5	Confident	131 Å²	131	56.3 Å²	56.3	61%	0.612	27%	0.272	S	S	*	.	S	Bend	trans	-128	147.1	176.6	-69.2	176.5	-15.9	0	0	108.9	L451 S600 K604	L451-Q602 VanDerWaalsContact CD1-C 3.43Å; S600-Q602 VanDerWaalsContact CB-O 3.25Å; S600-Q602 WeakPolarHBondContact CB-O 3.48Å; S600-Q602 PolarHBondContact O-N 3.08Å; Q602-K604 PolarHBondContact O-N 3.13Å
603	L	78	Confident	75.1	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	28%	0.275	C	S	.	.			trans	-73.4	100	-172.3	-175.6	80.3	0	0	0	110.8	K417 F436 L451 F453 L605	K417-L603 HydrophobicContact CD-CD2 4.06Å; K417-L603 HydrophobicContact CG-CD2 4.34Å; F436-L603 HydrophobicContact CB-CD1 4.24Å; F436-L603 HydrophobicContact CD1-CD1 4.12Å; F436-L603 HydrophobicContact CD2-CD1 3.73Å; F436-L603 HydrophobicContact CD2-CD2 3.86Å; F436-L603 HydrophobicContact CD2-CG 4.36Å; F436-L603 HydrophobicContact CE1-CD1 4.42Å; F436-L603 HydrophobicContact CE1-CD2 4.21Å; F436-L603 HydrophobicContact CE2-CD1 4.08Å; F436-L603 HydrophobicContact CE2-CD2 3.32Å; F436-L603 HydrophobicContact CE2-CG 4.28Å; F436-L603 HydrophobicContact CG-CD1 3.76Å; F436-L603 HydrophobicContact CZ-CD1 4.41Å; F436-L603 HydrophobicContact CZ-CD2 3.52Å; L451-L603 HydrophobicContact CD1-CB 4.02Å; L451-L603 VanDerWaalsContact CD1-N 3.35Å; F453-L603 HydrophobicContact CE1-CD1 3.83Å; F453-L603 HydrophobicContact CZ-CD1 4.27Å; L603-L605 HydrophobicContact CD1-CD2 4.11Å; L603-L605 HydrophobicContact CD2-CD1 4.1Å; L603-L605 HydrophobicContact CD2-CD2 4.21Å; L603-L605 HydrophobicContact CD2-CG 4Å; L603-L605 HydrophobicContact CG-CD2 4.03Å; L603-L605 HydrophobicContact CG-CG 4.07Å
604	K	80.3	Confident	73.4	Confident	101 Å²	101	59.7 Å²	59.7	44%	0.439	28%	0.282	S	S	.	.			trans	-98.5	99.5	175.1	-66	178.7	-170.6	162.5	0	110	D597 S600 Q602	D597-K604 HydrophobicContact CB-CB 4.17Å; D597-K604 PolarHBondContact N-O 2.91Å; S600-K604 WeakPolarHBondContact OG-CD 3.2Å; S600-K604 VanDerWaalsContact OG-CE 3.31Å; S600-K604 WeakPolarHBondContact OG-CE 3.43Å; S600-K604 PolarHBondContact OG-NZ 3.4Å; Q602-K604 PolarHBondContact O-N 3.13Å
605	L	79.8	Confident	71.6	Confident	27 Å²	27	63.5 Å²	63.5	14%	0.141	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.7	168.2	-55.4	-176.5	0	0	0	108.6	L415 L596 L603	L415-L605 HydrophobicContact CD1-CD1 4.13Å; L415-L605 HydrophobicContact CD2-CD1 3.58Å; L596-L605 HydrophobicContact CD2-CD2 3.89Å; L596-L605 HydrophobicContact CG-CD2 3.73Å; L603-L605 HydrophobicContact CD1-CD2 4.11Å; L603-L605 HydrophobicContact CD2-CD1 4.1Å; L603-L605 HydrophobicContact CD2-CD2 4.21Å; L603-L605 HydrophobicContact CD2-CG 4Å; L603-L605 HydrophobicContact CG-CD2 4.03Å; L603-L605 HydrophobicContact CG-CG 4.07Å
606	Q	79.3	Confident	69.3	Low	98 Å²	98	67.8 Å²	67.8	46%	0.458	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.7	172.8	-69	-172.8	-27.4	0	0	109.5	K595	K595-Q606 HydrophobicContact CB-CB 4.17Å; K595-Q606 HydrophobicContact CD-CB 4.34Å; K595-Q606 PolarHBondContact N-O 3.11Å; K595-Q606 PolarHBondContact O-N 3.29Å
607	W	74.9	Confident	66.8	Low	50 Å²	50	75.9 Å²	75.9	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.3	176.5	-55.3	98.4	0	0	0	110	H406 F414 I592 Y613	H406-W607 AromaticContact CD2-CH2 3.54Å; H406-W607 AromaticContact CD2-CZ2 3.55Å; H406-W607 AromaticContact NE2-CZ2 3.73Å; F414-W607 AromaticContact CD1-CH2 3.92Å; F414-W607 HydrophobicContact CD1-CH2 3.92Å; F414-W607 HydrophobicContact CD1-CZ3 4.05Å; F414-W607 AromaticContact CE1-CH2 3.45Å; F414-W607 HydrophobicContact CE1-CH2 3.45Å; F414-W607 VanDerWaalsContact CE1-CH2 3.45Å; F414-W607 AromaticContact CE1-CZ3 3.47Å; F414-W607 HydrophobicContact CE1-CZ3 3.47Å; F414-W607 VanDerWaalsContact CE1-CZ3 3.47Å; F414-W607 HydrophobicContact CZ-CZ3 4.38Å; I592-W607 HydrophobicContact CG2-CZ3 4.06Å; W607-Y613 HydrophobicContact CE3-CD2 4.43Å; W607-Y613 HydrophobicContact CE3-CG 4.39Å; W607-Y613 HydrophobicContact CH2-CG 4.15Å; W607-Y613 WeakPolarHBondContact CZ2-O 3.43Å; W607-Y613 HydrophobicContact CZ3-CD2 4.13Å; W607-Y613 AromaticContact CZ3-CG 3.93Å; W607-Y613 HydrophobicContact CZ3-CG 3.93Å; W607-Y613 PolarHBondContact NE1-O 2.94Å; W607-Y613 VanDerWaalsContact NE1-O 3.09Å
608	I	57.8	Low	65.6	Low	66 Å²	66	78.3 Å²	78.3	34%	0.338	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.7	177.2	-56.4	173.5	0	0	0	107.5	I593 K595 T610	I593-I608 HydrophobicContact CB-CB 3.98Å; I593-I608 WeakPolarHBondContact CB-O 3.36Å; I593-I608 HydrophobicContact CG2-CB 3.94Å; I593-I608 HydrophobicContact CG2-CD1 4.19Å; I593-I608 HydrophobicContact CG2-CG1 4.5Å; I593-I608 HydrophobicContact CG2-CG2 4.49Å; I593-I608 PolarHBondContact O-N 3.09Å; K595-I608 HydrophobicContact CB-CD1 4.3Å; K595-I608 HydrophobicContact CD-CD1 4.44Å; I608-T610 PolarHBondContact O-N 3.28Å
609	N	52	Low	64.4	Low	163 Å²	163	82.4 Å²	82.4	87%	0.872	40%	0.396	S	S	*	.	S	Bend	trans	59.1	36.1	176.5	-107.5	31.6	0	0	0	116.9
610	T	53.6	Low	63.2	Low	12 Å²	12	85.1 Å²	85.1	7%	0.074	41%	0.407	C	S	.	.			trans	-140.2	104.1	169.6	-15.7	0	0	0	0	112.3	K591 I608 Q612 Y613	K591-T610 WeakPolarHBondContact O-CG2 3.44Å; K591-T610 PolarHBondContact O-OG1 3.35Å; I608-T610 PolarHBondContact O-N 3.28Å; T610-Q612 VanDerWaalsContact C-N 3.27Å; T610-Q612 PolarHBondContact O-N 2.9Å; T610-Y613 HydrophobicContact CG2-CD2 3.55Å; T610-Y613 HydrophobicContact CG2-CE2 3.66Å
611	E	52.4	Low	61.9	Low	110 Å²	110	89.4 Å²	89.4	51%	0.514	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-64.3	-31.8	177.7	-66.8	-98.7	108.5	0	0	112.5	Y613 R614	E611-Y613 PolarHBondContact O-N 3.19Å; E611-Y613 VanDerWaalsContact O-N 3.15Å; E611-R614 IonicContact OE1-CZ 2.79Å; E611-R614 IonicContact OE1-NH1 3.11Å; E611-R614 PolarHBondContact OE1-NH1 2.87Å; E611-R614 IonicContact OE1-NH2 3.73Å; E611-R614 PolarHBondContact OE1-NH2 3Å; E611-R614 IonicContact OE2-NH1 2.89Å
612	Q	53.4	Low	60.9	Low	152 Å²	152	88.2 Å²	88.2	71%	0.71	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-69.3	-8.7	-170.1	-65.8	177.3	-26.9	0	0	115.5	T610	T610-Q612 VanDerWaalsContact C-N 3.27Å; T610-Q612 PolarHBondContact O-N 2.9Å
613	Y	53.3	Low	59.9	Low	23 Å²	23	85.3 Å²	85.3	9%	0.09	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-126.6	14.9	-171.5	-56.5	-65.1	0	0	0	114.7	H406 T407 I592 W607 T610 E611 E615	H406-Y613 HydrophobicContact CB-CD1 3.75Å; H406-Y613 HydrophobicContact CB-CE1 4.01Å; H406-Y613 AromaticContact CG-CD1 3.83Å; H406-Y613 AromaticContact ND1-CD1 3.98Å; T407-Y613 VanDerWaalsContact O-CE1 3.3Å; T407-Y613 WeakPolarHBondContact O-CE1 3.29Å; T407-Y613 PolarHBondContact O-OH 2.04Å; I592-Y613 HydrophobicContact CD1-CD2 4.38Å; I592-Y613 HydrophobicContact CD1-CE2 3.7Å; I592-Y613 HydrophobicContact CG1-CD2 4.31Å; I592-Y613 HydrophobicContact CG1-CE2 3.66Å; W607-Y613 HydrophobicContact CE3-CD2 4.43Å; W607-Y613 HydrophobicContact CE3-CG 4.39Å; W607-Y613 HydrophobicContact CH2-CG 4.15Å; W607-Y613 WeakPolarHBondContact CZ2-O 3.43Å; W607-Y613 HydrophobicContact CZ3-CD2 4.13Å; W607-Y613 AromaticContact CZ3-CG 3.93Å; W607-Y613 HydrophobicContact CZ3-CG 3.93Å; W607-Y613 PolarHBondContact NE1-O 2.94Å; W607-Y613 VanDerWaalsContact NE1-O 3.09Å; T610-Y613 HydrophobicContact CG2-CD2 3.55Å; T610-Y613 HydrophobicContact CG2-CE2 3.66Å; E611-Y613 PolarHBondContact O-N 3.19Å; E611-Y613 VanDerWaalsContact O-N 3.15Å; Y613-E615 PolarHBondContact O-N 3.26Å
614	R	51.5	Low	58.6	Low	89 Å²	89	90 Å²	90	34%	0.336	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-66.9	134.5	169	-62.8	-167.6	-171.2	102.8	13.2	109.6	E611	E611-R614 IonicContact OE1-CZ 2.79Å; E611-R614 IonicContact OE1-NH1 3.11Å; E611-R614 PolarHBondContact OE1-NH1 2.87Å; E611-R614 IonicContact OE1-NH2 3.73Å; E611-R614 PolarHBondContact OE1-NH2 3Å; E611-R614 IonicContact OE2-NH1 2.89Å
615	E	49.7	Very low	56.9	Low	80 Å²	80	89.2 Å²	89.2	37%	0.374	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-60.7	141.6	171.9	-59.4	-170.9	139.4	0	0	109.3	I404 K417 Y613	I404-E615 HydrophobicContact CD1-CG 4.45Å; I404-E615 VanDerWaalsContact CD1-OE1 3.29Å; I404-E615 WeakPolarHBondContact CD1-OE1 3.42Å; K417-E615 VanDerWaalsContact NZ-CD 3.29Å; K417-E615 IonicContact NZ-OE1 2.71Å; K417-E615 PolarHBondContact NZ-OE1 2.83Å; K417-E615 IonicContact NZ-OE2 3.92Å; K417-E615 PolarHBondContact NZ-OE2 2.85Å; K417-E615 VanDerWaalsContact NZ-OE2 3.11Å; Y613-E615 PolarHBondContact O-N 3.26Å
616	P	43.8	Very low	55	Low	118 Å²	118	94.3 Å²	94.3	77%	0.766	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-61.6	148.2	167.6	28.6	-33.8	0	0	0	109.7
617	K	38.2	Very low	52.8	Low	171 Å²	171	94 Å²	94	74%	0.743	46%	0.455	S	S	*	.			trans	-76.1	0	177.9	-53.2	169.2	-179.1	172.5	0	111.6	K351 E354	K351-K617 PolarHBondContact O-NZ 3.25Å; E354-K617 VanDerWaalsContact C-CE 3.4Å; E354-K617 HydrophobicContact CB-CD 3.9Å; E354-K617 VanDerWaalsContact O-CE 3.3Å; E354-K617 WeakPolarHBondContact O-CE 3.22Å; E354-K617 IonicContact OE2-NZ 2.65Å; E354-K617 PolarHBondContact OE2-NZ 3.18Å

Retrieved 617 of 617 residues in 779.7 ms (Link to these results)

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