A0A077Z756_TRITR Loading...

Zinc finger protein Xfin

AlphaFold DB , UniProt , Accession A0A077Z756, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.5	Very low	28.6	Very low	239 Å²	239	151.1 Å²	151.1	100%	1.177	85%	0.849	S	S	*	*				0	84	0	-68.3	-76.8	170.8	0	0	105.3
2	P	37	Very low	28.6	Very low	119 Å²	119	153.3 Å²	153.3	77%	0.773	85%	0.848	S	S	*	*				-130.1	-169	56.1	29.8	-7.7	0	0	0	114
3	E	29	Very low	28.6	Very low	185 Å²	185	150.5 Å²	150.5	86%	0.864	85%	0.846	S	S	*	*			trans	78.3	93.2	159.8	-48	-142.7	161.1	0	0	119.6
4	H	34.2	Very low	28.8	Very low	205 Å²	205	150.4 Å²	150.4	95%	0.949	84%	0.839	S	S	*	*			trans	-87.6	105.3	156.6	-91.5	-72	0	0	0	109.3
5	G	30.5	Very low	28.6	Very low	67 Å²	67	150 Å²	150	69%	0.691	84%	0.835	S	S	*	*			trans	-62.3	144.6	177.2	0	0	0	0	0	114
6	T	26.3	Very low	28.9	Very low	143 Å²	143	147.1 Å²	147.1	88%	0.877	83%	0.827	S	S	*	*			trans	-60.2	122.9	161.2	-11.4	0	0	0	0	109.7
7	L	29.8	Very low	28.9	Very low	154 Å²	154	149.8 Å²	149.8	81%	0.806	83%	0.827	S	S	*	*			trans	-121.8	107.3	158.4	-77.8	175.8	0	0	0	108.9
8	A	24.2	Very low	29	Very low	91 Å²	91	148.8 Å²	148.8	75%	0.752	83%	0.826	S	S	*	*			trans	-71.9	130.6	158.5	0	0	0	0	0	108.3
9	F	27.7	Very low	29	Very low	185 Å²	185	145.7 Å²	145.7	81%	0.811	82%	0.821	S	S	*	*			trans	-130.6	120	155.6	-92	-82.9	0	0	0	108.3
10	S	26	Very low	28.9	Very low	107 Å²	107	144 Å²	144	75%	0.748	82%	0.819	S	S	*	*			trans	-70	159.3	176.7	39.2	0	0	0	0	112.6	E12	S10-E12 PolarHBondContact O-N 3.36Å
11	D	22.4	Very low	28.8	Very low	167 Å²	167	143 Å²	143	89%	0.893	82%	0.816	S	S	*	*			trans	-36.1	117	161.6	-97.5	-48.3	0	0	0	112.5
12	E	28.6	Very low	28.9	Very low	178 Å²	178	136.8 Å²	136.8	83%	0.832	80%	0.796	S	S	*	*			trans	-133.3	125.7	145.9	-100.1	-176.6	162.5	0	0	109.3	S10 I14	S10-E12 PolarHBondContact O-N 3.36Å; E12-I14 PolarHBondContact O-N 3.09Å
13	S	28.5	Very low	28.6	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	80%	0.795	S	S	*	*			trans	-57.8	106.9	174.8	46.7	0	0	0	0	111.3	D15	S13-D15 PolarHBondContact O-N 3.3Å
14	I	31.1	Very low	28.8	Very low	148 Å²	148	135.6 Å²	135.6	76%	0.759	80%	0.797	S	S	*	*			trans	-91.9	98.6	167.3	-60.2	175.9	0	0	0	108.1	E12 C16	E12-I14 PolarHBondContact O-N 3.09Å; I14-C16 PolarHBondContact O-N 2.98Å; I14-C16 VanDerWaalsContact O-N 3.12Å
15	D	26	Very low	28.6	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	79%	0.793	S	S	*	*			trans	-67.4	95.9	168.4	-144	-21.2	0	0	0	108.5	S13 K17	S13-D15 PolarHBondContact O-N 3.3Å; D15-K17 VanDerWaalsContact C-N 3.32Å; D15-K17 PolarHBondContact O-N 3.42Å
16	C	33.8	Very low	28.7	Very low	104 Å²	104	137.1 Å²	137.1	70%	0.703	80%	0.795	S	S	*	*			trans	-76.7	81.2	179	-68.5	0	0	0	0	110.8	I14 V18	I14-C16 PolarHBondContact O-N 2.98Å; I14-C16 VanDerWaalsContact O-N 3.12Å; C16-V18 PolarHBondContact O-N 3.2Å
17	K	28.9	Very low	29.2	Very low	192 Å²	192	137.9 Å²	137.9	84%	0.835	79%	0.789	S	S	*	*			trans	-68.7	113.7	155	-81.9	180	178.5	174.3	0	108.6	D15 A19	D15-K17 VanDerWaalsContact C-N 3.32Å; D15-K17 PolarHBondContact O-N 3.42Å; K17-A19 PolarHBondContact O-N 3.12Å; K17-A19 VanDerWaalsContact O-N 3.09Å
18	V	29.9	Very low	29.7	Very low	133 Å²	133	139.9 Å²	139.9	81%	0.806	80%	0.796	S	S	*	*			trans	-67.8	98.9	173.2	179.9	0	0	0	0	107.6	C16	C16-V18 PolarHBondContact O-N 3.2Å
19	A	29.8	Very low	30.4	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	80%	0.795	S	S	*	*			trans	-104.1	116.2	165.2	0	0	0	0	0	108.2	K17 T21	K17-A19 PolarHBondContact O-N 3.12Å; K17-A19 VanDerWaalsContact O-N 3.09Å; A19-T21 PolarHBondContact O-N 2.95Å
20	S	26	Very low	31.3	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	80%	0.796	S	S	*	*			trans	-66.9	110.4	173.5	-26.6	0	0	0	0	109.3
21	T	28.5	Very low	32.7	Very low	123 Å²	123	143.9 Å²	143.9	76%	0.755	80%	0.798	S	S	*	*			trans	-139.8	98	156.7	52.5	0	0	0	0	108.4	A19	A19-T21 PolarHBondContact O-N 2.95Å
22	S	29	Very low	35	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	78%	0.78	S	S	*	*			trans	-40.6	152	137.4	49.6	0	0	0	0	110.6
23	S	30.9	Very low	37.6	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	76%	0.755	S	S	*	*			trans	97.1	69.6	-177.9	-50.5	0	0	0	0	113.6
24	L	33	Very low	40.1	Very low	172 Å²	172	131.2 Å²	131.2	90%	0.901	74%	0.744	S	S	*	*			trans	-164.6	60.7	137.9	-93.8	169.3	0	0	0	106.9
25	E	29.9	Very low	42.4	Very low	186 Å²	186	124.7 Å²	124.7	87%	0.869	71%	0.711	S	S	*	*			trans	-87.6	100.5	162.5	-70.1	-174.6	149.4	0	0	107.2
26	T	33.3	Very low	44.9	Very low	118 Å²	118	122.1 Å²	122.1	72%	0.724	71%	0.71	S	S	*	*			trans	-169.9	130.9	156.7	7.8	0	0	0	0	110.7
27	E	36.3	Very low	47	Very low	159 Å²	159	123.7 Å²	123.7	74%	0.743	70%	0.702	S	S	*	*	S	Bend	trans	79.2	38	156.3	-56.9	-79.3	139.5	0	0	120.5
28	M	40.7	Very low	49.4	Very low	195 Å²	195	116.1 Å²	116.1	96%	0.961	67%	0.673	S	S	*	*			trans	-116.5	29.2	149.9	-74.5	-138.4	79.3	0	0	113.1	K30	M28-K30 PolarHBondContact O-N 3.32Å
29	S	37.8	Very low	51.5	Low	106 Å²	106	118.4 Å²	118.4	74%	0.741	68%	0.68	S	S	*	*			trans	-82	93.9	164.5	-75.4	0	0	0	0	109.6
30	K	47	Very low	53.9	Low	191 Å²	191	120 Å²	120	83%	0.83	67%	0.667	S	S	*	*	S	Bend	trans	-164.6	114.3	152.5	-98.2	142.3	-157.8	-178.9	0	110.7	M28	M28-K30 PolarHBondContact O-N 3.32Å
31	Q	56.4	Low	56.6	Low	170 Å²	170	118.2 Å²	118.2	79%	0.794	66%	0.655	S	S	*	*			trans	70.3	72.6	172.1	-72.9	172.3	-6.2	0	0	117.8	H33	Q31-H33 PolarHBondContact O-N 3.44Å
32	A	70.5	Confident	59.3	Low	61 Å²	61	114.4 Å²	114.4	50%	0.504	63%	0.627	S	S	.	*			trans	-64.7	125.5	153.4	0	0	0	0	0	109.4	A34	A32-A34 PolarHBondContact O-N 3.09Å
33	H	81.8	Confident	61.6	Low	65 Å²	65	116.8 Å²	116.8	30%	0.301	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77	106.1	178.7	-61.9	-82.9	0	0	0	110	Q31 S41 Y42 L45 L48	Q31-H33 PolarHBondContact O-N 3.44Å; H33-S41 CarbonylContact O-C 3.56Å; H33-S41 WeakPolarHBondContact O-CA 3.46Å; H33-Y42 PolarHBondContact N-O 3.29Å; H33-Y42 PolarHBondContact O-N 2.73Å; H33-L45 PolarHBondContact CD2-N 3.48Å; H33-L45 PolarHBondContact NE2-N 3.19Å; H33-L48 HydrophobicContact CB-CB 4.07Å; H33-L48 HydrophobicContact CB-CD2 3.63Å; H33-L48 HydrophobicContact CB-CG 4.42Å
34	A	80.8	Confident	64.2	Low	71 Å²	71	117.5 Å²	117.5	59%	0.587	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.7	141.2	180	0	0	0	0	0	112.3	A32 L48	A32-A34 PolarHBondContact O-N 3.09Å; A34-L48 WeakPolarHBondContact O-CD2 3.44Å
35	C	79.9	Confident	66.5	Low	10 Å²	10	112.5 Å²	112.5	7%	0.068	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	128.2	174.5	178.3	0	0	0	0	111	Y37 C38 R40 L48 H51	C35-Y37 PolarHBondContact O-N 3.4Å; C35-Y37 PolarHBondContact SG-N 3.35Å; C35-C38 WeakPolarHBondContact CB-O 3.37Å; C35-C38 PolarHBondContact O-N 3.11Å; C35-R40 WeakPolarHBondContact CB-O 3.34Å; C35-R40 PolarHBondContact N-O 3.2Å; C35-L48 VanDerWaalsContact CA-CD1 3.42Å; C35-L48 HydrophobicContact CB-CD1 3.51Å; C35-H51 VanDerWaalsContact SG-CD2 3.53Å; C35-H51 PolarHBondContact SG-NE2 3.23Å
36	A	78.9	Confident	69	Low	91 Å²	91	107.4 Å²	107.4	75%	0.752	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-23.2	177.8	0	0	0	0	0	113.3
37	Y	78.2	Confident	71.4	Confident	137 Å²	137	105.8 Å²	105.8	54%	0.537	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.1	-8.7	-176.3	-54.1	-79.5	0	0	0	114.8	C35 E52 H55 T56	C35-Y37 PolarHBondContact O-N 3.4Å; C35-Y37 PolarHBondContact SG-N 3.35Å; Y37-E52 HydrophobicContact CD2-CG 4.48Å; Y37-H55 WeakPolarHBondContact CB-ND1 3.4Å; Y37-H55 HydrophobicContact CD1-CB 4.29Å; Y37-H55 HydrophobicContact CD2-CB 3.71Å; Y37-H55 HydrophobicContact CE2-CB 4.35Å; Y37-H55 HydrophobicContact CG-CB 3.67Å; Y37-H55 AromaticContact CG-CG 3.81Å; Y37-T56 HydrophobicContact CE2-CG2 4.04Å
38	C	78.2	Confident	73.6	Confident	34 Å²	34	98.7 Å²	98.7	23%	0.23	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	162	175.8	78.1	0	0	0	0	112.4	C35 R40 H51	C35-C38 WeakPolarHBondContact CB-O 3.37Å; C35-C38 PolarHBondContact O-N 3.11Å; C38-R40 PolarHBondContact O-N 3.27Å; C38-H51 PolarHBondContact SG-NE2 3.46Å
39	D	74.4	Confident	75.6	Confident	180 Å²	180	96.8 Å²	96.8	96%	0.963	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	33.6	-174.1	-47.1	-42	0	0	0	115.1
40	R	80.8	Confident	77.7	Confident	123 Å²	123	92.5 Å²	92.5	46%	0.464	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	176.9	-66.5	-177.4	-176.6	-154.9	-0.8	110.4	C35 C38 Y42	C35-R40 WeakPolarHBondContact CB-O 3.34Å; C35-R40 PolarHBondContact N-O 3.2Å; C38-R40 PolarHBondContact O-N 3.27Å; R40-Y42 HydrophobicContact CB-CE2 3.77Å; R40-Y42 WeakPolarHBondContact CD-OH 3.37Å
41	S	82.4	Confident	79.3	Confident	75 Å²	75	83.9 Å²	83.9	52%	0.524	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.2	169.3	66	0	0	0	0	111	H33	H33-S41 CarbonylContact O-C 3.56Å; H33-S41 WeakPolarHBondContact O-CA 3.46Å
42	Y	84.3	Confident	80.5	Confident	43 Å²	43	78 Å²	78	17%	0.169	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.8	-178	-64.4	-89.7	0	0	0	110	H33 R40 F44 L47 L48 H51	H33-Y42 PolarHBondContact N-O 3.29Å; H33-Y42 PolarHBondContact O-N 2.73Å; R40-Y42 HydrophobicContact CB-CE2 3.77Å; R40-Y42 WeakPolarHBondContact CD-OH 3.37Å; Y42-F44 PolarHBondContact O-N 2.93Å; Y42-L47 HydrophobicContact CD1-CB 3.76Å; Y42-L47 HydrophobicContact CG-CB 4.11Å; Y42-L48 HydrophobicContact CD2-CB 3.97Å; Y42-L48 HydrophobicContact CD2-CD1 3.75Å; Y42-L48 HydrophobicContact CD2-CG 4.49Å; Y42-L48 HydrophobicContact CE2-CD1 4.12Å; Y42-L48 HydrophobicContact CG-CB 4.31Å; Y42-H51 HydrophobicContact CD2-CB 4.49Å; Y42-H51 HydrophobicContact CE1-CB 4.12Å; Y42-H51 HydrophobicContact CE2-CB 3.66Å; Y42-H51 AromaticContact CE2-CD2 3.22Å; Y42-H51 WeakPolarHBondContact CE2-CD2 3.5Å; Y42-H51 AromaticContact CE2-CG 3.51Å; Y42-H51 AromaticContact CE2-NE2 3.95Å; Y42-H51 VanDerWaalsContact CZ-CB 3.44Å; Y42-H51 AromaticContact CZ-CD2 3.56Å; Y42-H51 AromaticContact CZ-CG 3.37Å; Y42-H51 AromaticContact CZ-ND1 3.99Å; Y42-H51 WeakPolarHBondContact OH-CB 3.37Å; Y42-H51 PolarHBondContact OH-CD2 3.48Å; Y42-H51 PolarHBondContact OH-CE1 3.31Å; Y42-H51 PolarHBondContact OH-ND1 3.31Å; Y42-H51 PolarHBondContact OH-NE2 3.04Å
43	Q	78.9	Confident	81.1	Confident	157 Å²	157	77.5 Å²	77.5	73%	0.734	40%	0.402	S	S	*	.	S	Bend	trans	-60.6	-29.3	177.9	-67.9	175.2	-16.7	0	0	112.9
44	F	83.7	Confident	80.8	Confident	123 Å²	123	81.5 Å²	81.5	54%	0.539	42%	0.418	S	S	.	.	S	Bend	trans	-128.5	138.5	-178.4	-56.3	-72.1	0	0	0	110.9	Y42 S46 L47 L48	Y42-F44 PolarHBondContact O-N 2.93Å; F44-S46 PolarHBondContact O-N 3.37Å; F44-S46 VanDerWaalsContact O-N 3.14Å; F44-L47 HydrophobicContact CB-CG 4.41Å; F44-L47 HydrophobicContact CD2-CD1 4.01Å; F44-L47 WeakPolarHBondContact O-CB 3.29Å; F44-L47 PolarHBondContact O-N 2.99Å; F44-L48 PolarHBondContact O-N 3.06Å; F44-L48 VanDerWaalsContact O-N 3.12Å
45	L	82.9	Confident	80.5	Confident	67 Å²	67	82 Å²	82	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-55.7	-31	175.4	-172.9	62.4	0	0	0	112.6	H33 L47 L48 R49	H33-L45 PolarHBondContact CD2-N 3.48Å; H33-L45 PolarHBondContact NE2-N 3.19Å; L45-L47 PolarHBondContact O-N 3.2Å; L45-L48 HydrophobicContact CD1-CD2 4.09Å; L45-L48 PolarHBondContact O-N 3.36Å; L45-R49 HydrophobicContact CG-CG 4.46Å; L45-R49 WeakPolarHBondContact O-CG 3.4Å; L45-R49 PolarHBondContact O-N 3.12Å
46	S	82	Confident	80.5	Confident	80 Å²	80	84.1 Å²	84.1	56%	0.559	42%	0.421	S	S	*	.	H	α-helix	trans	-64.2	-38.1	176.7	60.5	0	0	0	0	112.9	F44 A50	F44-S46 PolarHBondContact O-N 3.37Å; F44-S46 VanDerWaalsContact O-N 3.14Å; S46-A50 VanDerWaalsContact O-CB 3.3Å; S46-A50 WeakPolarHBondContact O-CB 3.34Å; S46-A50 PolarHBondContact O-N 3.11Å
47	L	83	Confident	80.3	Confident	84 Å²	84	82 Å²	82	44%	0.44	41%	0.409	S	S	.	.	H	α-helix	trans	-72.4	-38.2	174.5	-65.9	178.7	0	0	0	111	Y42 F44 L45 A50 H51	Y42-L47 HydrophobicContact CD1-CB 3.76Å; Y42-L47 HydrophobicContact CG-CB 4.11Å; F44-L47 HydrophobicContact CB-CG 4.41Å; F44-L47 HydrophobicContact CD2-CD1 4.01Å; F44-L47 WeakPolarHBondContact O-CB 3.29Å; F44-L47 PolarHBondContact O-N 2.99Å; L45-L47 PolarHBondContact O-N 3.2Å; L47-A50 PolarHBondContact O-N 3.45Å; L47-H51 WeakPolarHBondContact O-CB 3.48Å; L47-H51 PolarHBondContact O-N 3.2Å
48	L	82.3	Confident	80.1	Confident	9 Å²	9	81.1 Å²	81.1	5%	0.047	41%	0.41	C	S	.	.	H	α-helix	trans	-59.6	-55	173	174.4	60.2	0	0	0	111	H33 A34 C35 Y42 F44 L45 A50 H51 E52	H33-L48 HydrophobicContact CB-CB 4.07Å; H33-L48 HydrophobicContact CB-CD2 3.63Å; H33-L48 HydrophobicContact CB-CG 4.42Å; A34-L48 WeakPolarHBondContact O-CD2 3.44Å; C35-L48 VanDerWaalsContact CA-CD1 3.42Å; C35-L48 HydrophobicContact CB-CD1 3.51Å; Y42-L48 HydrophobicContact CD2-CB 3.97Å; Y42-L48 HydrophobicContact CD2-CD1 3.75Å; Y42-L48 HydrophobicContact CD2-CG 4.49Å; Y42-L48 HydrophobicContact CE2-CD1 4.12Å; Y42-L48 HydrophobicContact CG-CB 4.31Å; F44-L48 PolarHBondContact O-N 3.06Å; F44-L48 VanDerWaalsContact O-N 3.12Å; L45-L48 HydrophobicContact CD1-CD2 4.09Å; L45-L48 PolarHBondContact O-N 3.36Å; L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 3.38Å; L48-H51 CarbonylContact O-C 3.3Å; L48-H51 WeakPolarHBondContact O-CA 3.29Å; L48-H51 VanDerWaalsContact O-CB 3.3Å; L48-H51 WeakPolarHBondContact O-CB 3.34Å; L48-H51 PolarHBondContact O-N 3.43Å; L48-E52 HydrophobicContact CD1-CG 3.86Å; L48-E52 HydrophobicContact CG-CG 4.18Å; L48-E52 WeakPolarHBondContact O-CG 3.42Å; L48-E52 PolarHBondContact O-N 3.44Å
49	R	83.8	Confident	80.4	Confident	155 Å²	155	85.6 Å²	85.6	59%	0.585	43%	0.425	S	S	*	.	H	α-helix	trans	-57.7	-38.3	177.4	-71.2	178.6	-179.7	-175.6	0.8	112.2	L45 H51 R53	L45-R49 HydrophobicContact CG-CG 4.46Å; L45-R49 WeakPolarHBondContact O-CG 3.4Å; L45-R49 PolarHBondContact O-N 3.12Å; R49-H51 VanDerWaalsContact C-N 3.25Å; R49-H51 PolarHBondContact O-N 3.2Å; R49-R53 WeakPolarHBondContact O-CG 3.48Å; R49-R53 PolarHBondContact O-N 2.88Å
50	A	81.7	Confident	80.7	Confident	17 Å²	17	80.6 Å²	80.6	14%	0.14	40%	0.402	C	S	.	.	H	α-helix	trans	-66.2	-29.3	174.9	0	0	0	0	0	113.2	S46 L47 L48	S46-A50 VanDerWaalsContact O-CB 3.3Å; S46-A50 WeakPolarHBondContact O-CB 3.34Å; S46-A50 PolarHBondContact O-N 3.11Å; L47-A50 PolarHBondContact O-N 3.45Å; L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 3.38Å
51	H	81	Confident	81	Confident	10 Å²	10	77.5 Å²	77.5	5%	0.046	39%	0.392	C	S	.	.	H	α-helix	trans	-80.3	-42.7	174.6	166.8	62.9	0	0	0	113.1	C35 C38 Y42 L47 L48 R49 R53 K54 H55	C35-H51 VanDerWaalsContact SG-CD2 3.53Å; C35-H51 PolarHBondContact SG-NE2 3.23Å; C38-H51 PolarHBondContact SG-NE2 3.46Å; Y42-H51 HydrophobicContact CD2-CB 4.49Å; Y42-H51 HydrophobicContact CE1-CB 4.12Å; Y42-H51 HydrophobicContact CE2-CB 3.66Å; Y42-H51 AromaticContact CE2-CD2 3.22Å; Y42-H51 WeakPolarHBondContact CE2-CD2 3.5Å; Y42-H51 AromaticContact CE2-CG 3.51Å; Y42-H51 AromaticContact CE2-NE2 3.95Å; Y42-H51 VanDerWaalsContact CZ-CB 3.44Å; Y42-H51 AromaticContact CZ-CD2 3.56Å; Y42-H51 AromaticContact CZ-CG 3.37Å; Y42-H51 AromaticContact CZ-ND1 3.99Å; Y42-H51 WeakPolarHBondContact OH-CB 3.37Å; Y42-H51 PolarHBondContact OH-CD2 3.48Å; Y42-H51 PolarHBondContact OH-CE1 3.31Å; Y42-H51 PolarHBondContact OH-ND1 3.31Å; Y42-H51 PolarHBondContact OH-NE2 3.04Å; L47-H51 WeakPolarHBondContact O-CB 3.48Å; L47-H51 PolarHBondContact O-N 3.2Å; L48-H51 CarbonylContact O-C 3.3Å; L48-H51 WeakPolarHBondContact O-CA 3.29Å; L48-H51 VanDerWaalsContact O-CB 3.3Å; L48-H51 WeakPolarHBondContact O-CB 3.34Å; L48-H51 PolarHBondContact O-N 3.43Å; R49-H51 VanDerWaalsContact C-N 3.25Å; R49-H51 PolarHBondContact O-N 3.2Å; H51-R53 PolarHBondContact O-N 3.36Å; H51-K54 WeakPolarHBondContact O-CA 3.23Å; H51-K54 WeakPolarHBondContact O-CB 3.39Å; H51-K54 WeakPolarHBondContact O-CG 3.37Å; H51-K54 PolarHBondContact O-N 3.33Å; H51-H55 AromaticContact CE1-NE2 3.62Å; H51-H55 AromaticContact NE2-CD2 3.99Å; H51-H55 AromaticContact NE2-NE2 3.61Å
52	E	81.6	Confident	81.1	Confident	47 Å²	47	79.7 Å²	79.7	22%	0.22	39%	0.394	C	S	.	.	H	α-helix	trans	-57.5	-32.3	178.3	-73.8	174	153.8	0	0	111.9	Y37 L48 K54 H55 T56	Y37-E52 HydrophobicContact CD2-CG 4.48Å; L48-E52 HydrophobicContact CD1-CG 3.86Å; L48-E52 HydrophobicContact CG-CG 4.18Å; L48-E52 WeakPolarHBondContact O-CG 3.42Å; L48-E52 PolarHBondContact O-N 3.44Å; E52-K54 PolarHBondContact O-N 2.84Å; E52-H55 WeakPolarHBondContact O-CA 3.49Å; E52-H55 WeakPolarHBondContact O-CB 3.45Å; E52-H55 PolarHBondContact O-N 3.4Å; E52-T56 PolarHBondContact O-N 2.79Å; E52-T56 PolarHBondContact O-OG1 3.25Å
53	R	81.7	Confident	81.2	Confident	49 Å²	49	77.7 Å²	77.7	19%	0.185	39%	0.387	C	S	.	.	H	α-helix	trans	-57.7	-16.9	170.3	-72.3	-175.1	-72.3	-153.8	0.8	114.8	R49 H51 T56 G57 E58 A71	R49-R53 WeakPolarHBondContact O-CG 3.48Å; R49-R53 PolarHBondContact O-N 2.88Å; H51-R53 PolarHBondContact O-N 3.36Å; R53-T56 WeakPolarHBondContact CA-OG1 3.49Å; R53-G57 WeakPolarHBondContact O-CA 3.38Å; R53-G57 PolarHBondContact O-N 2.8Å; R53-G57 VanDerWaalsContact O-N 3.1Å; R53-E58 HydrophobicContact CG-CB 4.31Å; R53-A71 HydrophobicContact CB-CB 4.47Å; R53-A71 PolarHBondContact NE-O 3.21Å; R53-A71 PolarHBondContact NH1-O 3.1Å; R53-A71 PolarHBondContact NH2-O 3.41Å
54	K	77.1	Confident	81.5	Confident	149 Å²	149	74.6 Å²	74.6	65%	0.648	39%	0.388	S	S	*	.	H	α-helix	trans	-76.7	-27.5	170.8	-61	-177.7	-179.2	175.9	0	112.4	H51 E52	H51-K54 WeakPolarHBondContact O-CA 3.23Å; H51-K54 WeakPolarHBondContact O-CB 3.39Å; H51-K54 WeakPolarHBondContact O-CG 3.37Å; H51-K54 PolarHBondContact O-N 3.33Å; E52-K54 PolarHBondContact O-N 2.84Å
55	H	74.8	Confident	81.5	Confident	81 Å²	81	75.5 Å²	75.5	38%	0.375	39%	0.389	S	S	.	.	H	α-helix	trans	-86.4	-49.4	175.2	-67.7	-81.5	0	0	0	111	Y37 H51 E52 G57	Y37-H55 WeakPolarHBondContact CB-ND1 3.4Å; Y37-H55 HydrophobicContact CD1-CB 4.29Å; Y37-H55 HydrophobicContact CD2-CB 3.71Å; Y37-H55 HydrophobicContact CE2-CB 4.35Å; Y37-H55 HydrophobicContact CG-CB 3.67Å; Y37-H55 AromaticContact CG-CG 3.81Å; H51-H55 AromaticContact CE1-NE2 3.62Å; H51-H55 AromaticContact NE2-CD2 3.99Å; H51-H55 AromaticContact NE2-NE2 3.61Å; E52-H55 WeakPolarHBondContact O-CA 3.49Å; E52-H55 WeakPolarHBondContact O-CB 3.45Å; E52-H55 PolarHBondContact O-N 3.4Å; H55-G57 VanDerWaalsContact C-N 3.26Å; H55-G57 PolarHBondContact O-N 3.08Å
56	T	78	Confident	81.6	Confident	55 Å²	55	74.1 Å²	74.1	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-72.6	-20.7	-179.4	66.7	0	0	0	0	112.9	Y37 E52 R53 E58	Y37-T56 HydrophobicContact CE2-CG2 4.04Å; E52-T56 PolarHBondContact O-N 2.79Å; E52-T56 PolarHBondContact O-OG1 3.25Å; R53-T56 WeakPolarHBondContact CA-OG1 3.49Å; T56-E58 PolarHBondContact O-N 3.18Å; T56-E58 WeakPolarHBondContact OG1-CG 3.38Å; T56-E58 PolarHBondContact OG1-N 3.25Å
57	G	76.3	Confident	81.6	Confident	48 Å²	48	76.4 Å²	76.4	50%	0.495	40%	0.395	S	S	.	.			trans	71.9	3.6	-176.5	0	0	0	0	0	113.9	R53 H55	R53-G57 WeakPolarHBondContact O-CA 3.38Å; R53-G57 PolarHBondContact O-N 2.8Å; R53-G57 VanDerWaalsContact O-N 3.1Å; H55-G57 VanDerWaalsContact C-N 3.26Å; H55-G57 PolarHBondContact O-N 3.08Å
58	E	74.3	Confident	81.6	Confident	118 Å²	118	77.7 Å²	77.7	55%	0.551	40%	0.397	S	S	*	.			trans	-62.9	135.7	-177.9	-72.2	176	-171.8	0	0	112	R53 T56 P60	R53-E58 HydrophobicContact CG-CB 4.31Å; T56-E58 PolarHBondContact O-N 3.18Å; T56-E58 WeakPolarHBondContact OG1-CG 3.38Å; T56-E58 PolarHBondContact OG1-N 3.25Å; E58-P60 WeakPolarHBondContact O-CD 3.31Å
59	K	83.2	Confident	81.7	Confident	127 Å²	127	79.7 Å²	79.7	55%	0.552	41%	0.411	S	S	*	.			trans	-125	78.1	179.6	-65.8	-178.3	-169.4	171.8	0	110.1	F61 C69 F70 A71	K59-F61 PolarHBondContact O-N 3.12Å; K59-C69 HydrophobicContact CB-CB 3.65Å; K59-C69 WeakPolarHBondContact CD-O 3.46Å; K59-C69 WeakPolarHBondContact O-CB 3.36Å; K59-F70 CarbonylContact C-O 3.44Å; K59-F70 VanDerWaalsContact C-O 3.3Å; K59-F70 WeakPolarHBondContact CA-O 3.45Å; K59-A71 HydrophobicContact CG-CB 4.41Å
60	P	80.6	Confident	81.8	Confident	75 Å²	75	74.6 Å²	74.6	49%	0.487	39%	0.393	S	S	.	.			trans	-69.2	-21.3	-170.6	-20.1	33.8	0	0	0	113.8	E58 Q62	E58-P60 WeakPolarHBondContact O-CD 3.31Å; P60-Q62 PolarHBondContact O-N 3.01Å
61	F	87.3	Confident	81.9	Confident	58 Å²	58	75.4 Å²	75.4	25%	0.254	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	93.7	-171.8	-55.8	-72.2	0	0	0	110.6	K59 C69 F70 A71 Q72 R73 L76	K59-F61 PolarHBondContact O-N 3.12Å; F61-C69 CarbonylContact O-C 3.36Å; F61-C69 WeakPolarHBondContact O-CA 3.37Å; F61-F70 HydrophobicContact CB-CB 4.39Å; F61-F70 WeakPolarHBondContact CB-O 3.33Å; F61-F70 WeakPolarHBondContact CD2-O 3.47Å; F61-F70 PolarHBondContact N-O 3.21Å; F61-F70 VanDerWaalsContact N-O 3.08Å; F61-F70 PolarHBondContact O-N 3.49Å; F61-A71 WeakPolarHBondContact CE2-O 3.49Å; F61-Q72 VanDerWaalsContact CD2-C 3.42Å; F61-R73 HydrophobicContact CD1-CB 4.31Å; F61-R73 HydrophobicContact CD1-CG 4.44Å; F61-R73 HydrophobicContact CE1-CB 4.13Å; F61-R73 HydrophobicContact CE1-CG 4.44Å; F61-R73 HydrophobicContact CE2-CB 4.34Å; F61-R73 HydrophobicContact CZ-CB 4.14Å; F61-L76 HydrophobicContact CB-CB 4.13Å; F61-L76 HydrophobicContact CB-CD2 3.86Å
62	Q	85.2	Confident	82.1	Confident	121 Å²	121	78.9 Å²	78.9	57%	0.565	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.2	174	-175.8	174.3	-14.2	0	0	111.3	P60	P60-Q62 PolarHBondContact O-N 3.01Å
63	C	86.5	Confident	82.2	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.014	44%	0.441	C	S	.	.			trans	-69.6	129	172.5	-178.8	0	0	0	0	111.2	Y65 C66 K68 L76 H79 H83	C63-Y65 PolarHBondContact O-N 3.23Å; C63-Y65 PolarHBondContact SG-N 3.31Å; C63-Y65 VanDerWaalsContact SG-N 3.43Å; C63-C66 WeakPolarHBondContact CB-O 3.37Å; C63-C66 PolarHBondContact O-N 3.38Å; C63-K68 PolarHBondContact N-O 2.92Å; C63-L76 VanDerWaalsContact CA-CD1 3.47Å; C63-L76 HydrophobicContact CB-CD1 3.68Å; C63-H79 PolarHBondContact SG-CD2 3.39Å; C63-H79 PolarHBondContact SG-NE2 3.31Å; C63-H83 VanDerWaalsContact SG-CD2 3.55Å
64	A	84.7	Confident	82.3	Confident	91 Å²	91	86.7 Å²	86.7	75%	0.752	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	176.8	0	0	0	0	0	112.9
65	Y	83.6	Confident	82.6	Confident	143 Å²	143	80.8 Å²	80.8	56%	0.561	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.9	-176.3	-54.5	-79.5	0	0	0	114.2	C63 E80 H83 T84	C63-Y65 PolarHBondContact O-N 3.23Å; C63-Y65 PolarHBondContact SG-N 3.31Å; C63-Y65 VanDerWaalsContact SG-N 3.43Å; Y65-E80 HydrophobicContact CD2-CG 4.49Å; Y65-H83 VanDerWaalsContact CB-ND1 3.29Å; Y65-H83 WeakPolarHBondContact CB-ND1 3.32Å; Y65-H83 HydrophobicContact CD1-CB 4.41Å; Y65-H83 HydrophobicContact CD2-CB 3.63Å; Y65-H83 AromaticContact CD2-CG 3.93Å; Y65-H83 HydrophobicContact CE2-CB 4.24Å; Y65-H83 HydrophobicContact CG-CB 3.72Å; Y65-H83 AromaticContact CG-CG 3.8Å; Y65-T84 HydrophobicContact CE2-CG2 4.28Å
66	C	83.9	Confident	83.1	Confident	37 Å²	37	77.7 Å²	77.7	25%	0.25	42%	0.421	C	S	.	.	S	Bend	trans	-156	166.3	175.7	77.6	0	0	0	0	113	C63 K68 H79 H83	C63-C66 WeakPolarHBondContact CB-O 3.37Å; C63-C66 PolarHBondContact O-N 3.38Å; C66-K68 PolarHBondContact O-N 3.48Å; C66-H79 PolarHBondContact SG-NE2 3.07Å; C66-H83 PolarHBondContact SG-NE2 3.3Å
67	T	83.3	Confident	83.4	Confident	129 Å²	129	77.4 Å²	77.4	79%	0.791	42%	0.424	S	S	*	.	S	Bend	trans	-73.6	15.7	-177	56.9	0	0	0	0	115.1
68	K	83.4	Confident	83.6	Confident	111 Å²	111	79.4 Å²	79.4	48%	0.483	42%	0.423	S	S	.	.			trans	-86.8	131.7	179.8	-68.2	-174.5	179.8	-174.8	0	111.3	C63 C66 F70	C63-K68 PolarHBondContact N-O 2.92Å; C66-K68 PolarHBondContact O-N 3.48Å; K68-F70 HydrophobicContact CB-CE2 3.87Å; K68-F70 HydrophobicContact CB-CZ 4.14Å
69	C	83.2	Confident	84	Confident	51 Å²	51	74.9 Å²	74.9	35%	0.345	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.9	176.1	-51.3	0	0	0	0	111.5	K59 F61	K59-C69 HydrophobicContact CB-CB 3.65Å; K59-C69 WeakPolarHBondContact CD-O 3.46Å; K59-C69 WeakPolarHBondContact O-CB 3.36Å; F61-C69 CarbonylContact O-C 3.36Å; F61-C69 WeakPolarHBondContact O-CA 3.37Å
70	F	86.8	Confident	84.1	Confident	47 Å²	47	71.4 Å²	71.4	21%	0.206	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.5	-177	-62.3	-92.5	0	0	0	111	K59 F61 K68 Q72 L76 H79	K59-F70 CarbonylContact C-O 3.44Å; K59-F70 VanDerWaalsContact C-O 3.3Å; K59-F70 WeakPolarHBondContact CA-O 3.45Å; F61-F70 HydrophobicContact CB-CB 4.39Å; F61-F70 WeakPolarHBondContact CB-O 3.33Å; F61-F70 WeakPolarHBondContact CD2-O 3.47Å; F61-F70 PolarHBondContact N-O 3.21Å; F61-F70 VanDerWaalsContact N-O 3.08Å; F61-F70 PolarHBondContact O-N 3.49Å; K68-F70 HydrophobicContact CB-CE2 3.87Å; K68-F70 HydrophobicContact CB-CZ 4.14Å; F70-Q72 VanDerWaalsContact C-N 3.31Å; F70-L76 HydrophobicContact CB-CB 4.16Å; F70-L76 HydrophobicContact CD2-CB 3.97Å; F70-L76 HydrophobicContact CD2-CD1 3.77Å; F70-L76 HydrophobicContact CD2-CG 4.49Å; F70-L76 HydrophobicContact CE2-CD1 4.05Å; F70-L76 HydrophobicContact CG-CB 4.17Å; F70-H79 HydrophobicContact CE1-CB 3.77Å; F70-H79 HydrophobicContact CE2-CB 3.76Å; F70-H79 AromaticContact CE2-CD2 3.33Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.43Å; F70-H79 AromaticContact CE2-CG 3.49Å; F70-H79 VanDerWaalsContact CE2-CG 3.49Å; F70-H79 HydrophobicContact CZ-CB 3.26Å; F70-H79 AromaticContact CZ-CD2 3.52Å; F70-H79 AromaticContact CZ-CG 3.14Å; F70-H79 AromaticContact CZ-ND1 3.64Å
71	A	83.5	Confident	84.1	Confident	34 Å²	34	69.9 Å²	69.9	28%	0.281	37%	0.372	S	S	.	.	S	Bend	trans	-72.6	-24.4	176.1	0	0	0	0	0	112.7	R53 K59 F61	R53-A71 HydrophobicContact CB-CB 4.47Å; R53-A71 PolarHBondContact NE-O 3.21Å; R53-A71 PolarHBondContact NH1-O 3.1Å; R53-A71 PolarHBondContact NH2-O 3.41Å; K59-A71 HydrophobicContact CG-CB 4.41Å; F61-A71 WeakPolarHBondContact CE2-O 3.49Å
72	Q	84.2	Confident	83.8	Confident	84 Å²	84	76.9 Å²	76.9	39%	0.393	40%	0.397	S	S	.	.	S	Bend	trans	-132.9	145.8	-178.4	-64.1	-175.6	-6.1	0	0	111.4	F61 F70 S74 G75 L76	F61-Q72 VanDerWaalsContact CD2-C 3.42Å; F70-Q72 VanDerWaalsContact C-N 3.31Å; Q72-S74 VanDerWaalsContact C-N 3.28Å; Q72-S74 PolarHBondContact O-N 3.47Å; Q72-G75 PolarHBondContact O-N 2.98Å; Q72-G75 VanDerWaalsContact O-N 3.11Å; Q72-L76 PolarHBondContact O-N 3.08Å; Q72-L76 VanDerWaalsContact O-N 3.14Å
73	R	85	Confident	83.5	Confident	193 Å²	193	74.8 Å²	74.8	73%	0.728	39%	0.387	S	S	*	.	H	α-helix	trans	-62.7	-33	179	-161	173.6	-173.3	-169.6	2.2	112.7	F61 L76 A77	F61-R73 HydrophobicContact CD1-CB 4.31Å; F61-R73 HydrophobicContact CD1-CG 4.44Å; F61-R73 HydrophobicContact CE1-CB 4.13Å; F61-R73 HydrophobicContact CE1-CG 4.44Å; F61-R73 HydrophobicContact CE2-CB 4.34Å; F61-R73 HydrophobicContact CZ-CB 4.14Å; R73-L76 PolarHBondContact O-N 2.92Å; R73-A77 WeakPolarHBondContact O-CB 3.48Å; R73-A77 PolarHBondContact O-N 2.96Å
74	S	83.3	Confident	83.2	Confident	67 Å²	67	77.6 Å²	77.6	47%	0.469	40%	0.404	S	S	.	.	H	α-helix	trans	-61.5	-42.8	172.9	54.1	0	0	0	0	112.1	Q72 A77 I78	Q72-S74 VanDerWaalsContact C-N 3.28Å; Q72-S74 PolarHBondContact O-N 3.47Å; S74-A77 PolarHBondContact O-N 2.87Å; S74-I78 WeakPolarHBondContact O-CD1 3.35Å; S74-I78 WeakPolarHBondContact O-CG1 3.39Å; S74-I78 PolarHBondContact O-N 3.17Å
75	G	83.9	Confident	82.8	Confident	24 Å²	24	75.5 Å²	75.5	25%	0.247	39%	0.391	C	S	.	.	H	α-helix	trans	-63.2	-41.7	174.9	0	0	0	0	0	112.3	Q72 H79	Q72-G75 PolarHBondContact O-N 2.98Å; Q72-G75 VanDerWaalsContact O-N 3.11Å; G75-H79 WeakPolarHBondContact O-CB 3.41Å; G75-H79 PolarHBondContact O-N 2.92Å; G75-H79 VanDerWaalsContact O-N 3.07Å
76	L	85.8	Confident	82.4	Confident	16 Å²	16	73.6 Å²	73.6	8%	0.084	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-50	172.7	174.3	61	0	0	0	111.3	F61 C63 F70 Q72 R73 I78 H79 E80	F61-L76 HydrophobicContact CB-CB 4.13Å; F61-L76 HydrophobicContact CB-CD2 3.86Å; C63-L76 VanDerWaalsContact CA-CD1 3.47Å; C63-L76 HydrophobicContact CB-CD1 3.68Å; F70-L76 HydrophobicContact CB-CB 4.16Å; F70-L76 HydrophobicContact CD2-CB 3.97Å; F70-L76 HydrophobicContact CD2-CD1 3.77Å; F70-L76 HydrophobicContact CD2-CG 4.49Å; F70-L76 HydrophobicContact CE2-CD1 4.05Å; F70-L76 HydrophobicContact CG-CB 4.17Å; Q72-L76 PolarHBondContact O-N 3.08Å; Q72-L76 VanDerWaalsContact O-N 3.14Å; R73-L76 PolarHBondContact O-N 2.92Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.06Å; L76-H79 CarbonylContact O-C 3.51Å; L76-H79 WeakPolarHBondContact O-CA 3.22Å; L76-H79 WeakPolarHBondContact O-CB 3.5Å; L76-H79 PolarHBondContact O-N 3.33Å; L76-E80 HydrophobicContact CD1-CG 3.73Å; L76-E80 HydrophobicContact CG-CG 4.12Å; L76-E80 WeakPolarHBondContact O-CG 3.42Å; L76-E80 PolarHBondContact O-N 3.14Å
77	A	84.1	Confident	82	Confident	49 Å²	49	77.5 Å²	77.5	41%	0.405	40%	0.402	S	S	.	.	H	α-helix	trans	-59.6	-41.1	-179.7	0	0	0	0	0	112.4	R73 S74 H79 E80 R81	R73-A77 WeakPolarHBondContact O-CB 3.48Å; R73-A77 PolarHBondContact O-N 2.96Å; S74-A77 PolarHBondContact O-N 2.87Å; A77-H79 VanDerWaalsContact C-N 3.29Å; A77-H79 PolarHBondContact O-N 3.23Å; A77-E80 PolarHBondContact O-N 3.36Å; A77-R81 WeakPolarHBondContact O-CG 3.5Å; A77-R81 PolarHBondContact O-N 3.37Å
78	I	79.7	Confident	81.6	Confident	90 Å²	90	74.9 Å²	74.9	46%	0.462	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174	-64.2	162	0	0	0	110.7	S74 L76	S74-I78 WeakPolarHBondContact O-CD1 3.35Å; S74-I78 WeakPolarHBondContact O-CG1 3.39Å; S74-I78 PolarHBondContact O-N 3.17Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.06Å
79	H	83.1	Confident	81	Confident	23 Å²	23	74 Å²	74	11%	0.106	38%	0.382	C	S	.	.	H	α-helix	trans	-69.4	-42.2	178	168	72.4	0	0	0	112.9	C63 C66 F70 G75 L76 A77 R81 R82 H83	C63-H79 PolarHBondContact SG-CD2 3.39Å; C63-H79 PolarHBondContact SG-NE2 3.31Å; C66-H79 PolarHBondContact SG-NE2 3.07Å; F70-H79 HydrophobicContact CE1-CB 3.77Å; F70-H79 HydrophobicContact CE2-CB 3.76Å; F70-H79 AromaticContact CE2-CD2 3.33Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.43Å; F70-H79 AromaticContact CE2-CG 3.49Å; F70-H79 VanDerWaalsContact CE2-CG 3.49Å; F70-H79 HydrophobicContact CZ-CB 3.26Å; F70-H79 AromaticContact CZ-CD2 3.52Å; F70-H79 AromaticContact CZ-CG 3.14Å; F70-H79 AromaticContact CZ-ND1 3.64Å; G75-H79 WeakPolarHBondContact O-CB 3.41Å; G75-H79 PolarHBondContact O-N 2.92Å; G75-H79 VanDerWaalsContact O-N 3.07Å; L76-H79 CarbonylContact O-C 3.51Å; L76-H79 WeakPolarHBondContact O-CA 3.22Å; L76-H79 WeakPolarHBondContact O-CB 3.5Å; L76-H79 PolarHBondContact O-N 3.33Å; A77-H79 VanDerWaalsContact C-N 3.29Å; A77-H79 PolarHBondContact O-N 3.23Å; H79-R81 PolarHBondContact O-N 3.35Å; H79-R82 WeakPolarHBondContact O-CB 3.33Å; H79-R82 PolarHBondContact O-N 3.12Å; H79-H83 AromaticContact CE1-NE2 3.69Å; H79-H83 AromaticContact NE2-CD2 3.7Å; H79-H83 AromaticContact NE2-NE2 3.39Å; H79-H83 PolarHBondContact NE2-NE2 3.17Å
80	E	84.2	Confident	80.3	Confident	54 Å²	54	78.1 Å²	78.1	25%	0.252	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-29	178.7	-75.8	179.7	157.8	0	0	112.5	Y65 L76 A77 R82 H83 T84	Y65-E80 HydrophobicContact CD2-CG 4.49Å; L76-E80 HydrophobicContact CD1-CG 3.73Å; L76-E80 HydrophobicContact CG-CG 4.12Å; L76-E80 WeakPolarHBondContact O-CG 3.42Å; L76-E80 PolarHBondContact O-N 3.14Å; A77-E80 PolarHBondContact O-N 3.36Å; E80-R82 PolarHBondContact O-N 3.14Å; E80-H83 WeakPolarHBondContact O-CA 3.27Å; E80-H83 WeakPolarHBondContact O-CB 3.43Å; E80-H83 PolarHBondContact O-N 2.85Å; E80-T84 PolarHBondContact O-N 3.39Å; E80-T84 PolarHBondContact O-OG1 2.95Å
81	R	82.4	Confident	79.3	Confident	44 Å²	44	77 Å²	77	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-57.6	-21.7	169.8	-71.2	-172.5	-65.7	-163.8	4.7	113.8	A77 H79 T84 G85 Y89 A99	A77-R81 WeakPolarHBondContact O-CG 3.5Å; A77-R81 PolarHBondContact O-N 3.37Å; H79-R81 PolarHBondContact O-N 3.35Å; R81-T84 WeakPolarHBondContact CA-OG1 3.47Å; R81-G85 WeakPolarHBondContact O-CA 3.3Å; R81-G85 PolarHBondContact O-N 2.81Å; R81-Y89 PolarHBondContact NH1-OH 3.09Å; R81-A99 HydrophobicContact CB-CB 4.37Å; R81-A99 PolarHBondContact NE-O 3.13Å; R81-A99 PolarHBondContact NH1-O 3.01Å; R81-A99 PolarHBondContact NH2-O 3.5Å
82	R	79.7	Confident	78.3	Confident	205 Å²	205	83.7 Å²	83.7	77%	0.774	42%	0.419	S	S	*	.	H	α-helix	trans	-76.7	-25.1	173.2	-165.2	175.8	162	172.3	-4.8	112.6	H79 E80	H79-R82 WeakPolarHBondContact O-CB 3.33Å; H79-R82 PolarHBondContact O-N 3.12Å; E80-R82 PolarHBondContact O-N 3.14Å
83	H	78.9	Confident	77.6	Confident	77 Å²	77	88.5 Å²	88.5	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-85.8	-47.8	173.7	-71.7	-77	0	0	0	111.7	C63 Y65 C66 H79 E80 G85	C63-H83 VanDerWaalsContact SG-CD2 3.55Å; Y65-H83 VanDerWaalsContact CB-ND1 3.29Å; Y65-H83 WeakPolarHBondContact CB-ND1 3.32Å; Y65-H83 HydrophobicContact CD1-CB 4.41Å; Y65-H83 HydrophobicContact CD2-CB 3.63Å; Y65-H83 AromaticContact CD2-CG 3.93Å; Y65-H83 HydrophobicContact CE2-CB 4.24Å; Y65-H83 HydrophobicContact CG-CB 3.72Å; Y65-H83 AromaticContact CG-CG 3.8Å; C66-H83 PolarHBondContact SG-NE2 3.3Å; H79-H83 AromaticContact CE1-NE2 3.69Å; H79-H83 AromaticContact NE2-CD2 3.7Å; H79-H83 AromaticContact NE2-NE2 3.39Å; H79-H83 PolarHBondContact NE2-NE2 3.17Å; E80-H83 WeakPolarHBondContact O-CA 3.27Å; E80-H83 WeakPolarHBondContact O-CB 3.43Å; E80-H83 PolarHBondContact O-N 2.85Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.5Å
84	T	80.7	Confident	76.9	Confident	61 Å²	61	81.6 Å²	81.6	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-73.5	-20.5	-179.4	64.3	0	0	0	0	112.6	Y65 E80 R81 I86	Y65-T84 HydrophobicContact CE2-CG2 4.28Å; E80-T84 PolarHBondContact O-N 3.39Å; E80-T84 PolarHBondContact O-OG1 2.95Å; R81-T84 WeakPolarHBondContact CA-OG1 3.47Å; T84-I86 HydrophobicContact CG2-CD1 4.38Å; T84-I86 PolarHBondContact O-N 2.81Å; T84-I86 VanDerWaalsContact O-N 3.17Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.38Å; T84-I86 PolarHBondContact OG1-N 3.03Å
85	G	76.3	Confident	76.1	Confident	46 Å²	46	85.9 Å²	85.9	47%	0.474	43%	0.433	S	S	.	.			trans	69.8	4.1	-175.7	0	0	0	0	0	113.7	R81 H83 K87	R81-G85 WeakPolarHBondContact O-CA 3.3Å; R81-G85 PolarHBondContact O-N 2.81Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.5Å; G85-K87 PolarHBondContact O-N 3.25Å
86	I	74.3	Confident	75.6	Confident	104 Å²	104	91.2 Å²	91.2	53%	0.533	45%	0.449	S	S	.	.			trans	-65.1	121.7	-179.8	-61.3	169.2	0	0	0	108.6	T84 P88	T84-I86 HydrophobicContact CG2-CD1 4.38Å; T84-I86 PolarHBondContact O-N 2.81Å; T84-I86 VanDerWaalsContact O-N 3.17Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.38Å; T84-I86 PolarHBondContact OG1-N 3.03Å; I86-P88 VanDerWaalsContact O-CD 3.29Å; I86-P88 WeakPolarHBondContact O-CD 3.44Å
87	K	77.3	Confident	75	Confident	119 Å²	119	91.8 Å²	91.8	52%	0.517	46%	0.457	S	S	.	.			trans	-116.4	81.9	-177.3	-76.2	163.5	159.1	-146.6	0	109.1	G85 Y89 A97 F98 A99	G85-K87 PolarHBondContact O-N 3.25Å; K87-Y89 PolarHBondContact O-N 3.46Å; K87-A97 HydrophobicContact CB-CB 3.59Å; K87-A97 HydrophobicContact CD-CB 4.22Å; K87-A97 WeakPolarHBondContact CD-O 3.17Å; K87-A97 WeakPolarHBondContact CE-O 3.34Å; K87-A97 PolarHBondContact NZ-O 3.13Å; K87-F98 CarbonylContact C-O 3.54Å; K87-F98 WeakPolarHBondContact CA-O 3.34Å; K87-A99 HydrophobicContact CG-CB 4.44Å
88	P	73.4	Confident	74.4	Confident	73 Å²	73	91.9 Å²	91.9	47%	0.474	45%	0.448	S	S	.	.			trans	-72.6	-13.5	-172.1	27.1	-31.5	0	0	0	113.5	I86	I86-P88 VanDerWaalsContact O-CD 3.29Å; I86-P88 WeakPolarHBondContact O-CD 3.44Å
89	Y	72	Confident	73.7	Confident	93 Å²	93	89.4 Å²	89.4	37%	0.365	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.9	-176.8	-52	-71.7	0	0	0	111	R81 K87 A97 F98 P101	R81-Y89 PolarHBondContact NH1-OH 3.09Å; K87-Y89 PolarHBondContact O-N 3.46Å; Y89-A97 CarbonylContact O-C 3.57Å; Y89-A97 WeakPolarHBondContact O-CA 3.1Å; Y89-F98 PolarHBondContact N-O 2.87Å; Y89-F98 PolarHBondContact O-N 3Å; Y89-P101 HydrophobicContact CD1-CB 4.3Å; Y89-P101 HydrophobicContact CD1-CG 4.31Å; Y89-P101 HydrophobicContact CD2-CB 4.45Å; Y89-P101 HydrophobicContact CD2-CG 4.2Å; Y89-P101 VanDerWaalsContact CD2-N 3.32Å; Y89-P101 HydrophobicContact CE1-CB 4.3Å; Y89-P101 HydrophobicContact CE1-CG 3.86Å; Y89-P101 HydrophobicContact CE2-CB 4.41Å; Y89-P101 HydrophobicContact CE2-CG 3.69Å; Y89-P101 HydrophobicContact CG-CB 4.37Å; Y89-P101 HydrophobicContact CG-CG 4.47Å
90	Q	67.2	Low	72.9	Confident	138 Å²	138	91.2 Å²	91.2	65%	0.645	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.3	177	-171.1	171.4	-2	0	0	111.3
91	C	66.1	Low	71.6	Confident	23 Å²	23	92.3 Å²	92.3	16%	0.155	47%	0.468	C	S	.	.			trans	-65.6	128.2	169.1	170.6	0	0	0	0	109.3	Y93 C94 K96 F98	C91-Y93 VanDerWaalsContact C-N 3.29Å; C91-Y93 PolarHBondContact O-N 3.4Å; C91-C94 CarbonylContact C-O 3.49Å; C91-C94 HydrophobicContact CB-CB 4.27Å; C91-C94 WeakPolarHBondContact CB-O 3.3Å; C91-C94 WeakPolarHBondContact CB-SG 3.35Å; C91-C94 WeakPolarHBondContact SG-CB 3.35Å; C91-C94 PolarHBondContact SG-N 3.43Å; C91-C94 PolarHBondContact SG-O 3.39Å; C91-C94 CovalentContact SG-SG 2.07Å; C91-C94 PolarHBondContact SG-SG 3.36Å; C91-K96 HydrophobicContact CB-CB 4.35Å; C91-K96 WeakPolarHBondContact CB-O 3.22Å; C91-K96 PolarHBondContact N-O 2.85Å; C91-F98 HydrophobicContact CB-CE2 3.8Å; C91-F98 HydrophobicContact CB-CZ 4.34Å
92	Q	63	Low	70.3	Confident	175 Å²	175	95.1 Å²	95.1	82%	0.818	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.6	-179.4	-68.9	177.6	-8.3	0	0	113.4
93	Y	68.8	Low	69	Low	184 Å²	184	89 Å²	89	72%	0.722	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	1.5	-177.7	-57.5	-78.9	0	0	0	113.2	C91 I105	C91-Y93 VanDerWaalsContact C-N 3.29Å; C91-Y93 PolarHBondContact O-N 3.4Å; Y93-I105 HydrophobicContact CD2-CD1 3.69Å; Y93-I105 HydrophobicContact CD2-CG1 4.37Å; Y93-I105 HydrophobicContact CE2-CD1 3.71Å; Y93-I105 HydrophobicContact CE2-CG1 4.28Å
94	C	70.6	Confident	68	Low	48 Å²	48	88.4 Å²	88.4	32%	0.324	48%	0.483	S	S	.	.	S	Bend	trans	-160.3	147.6	-175.3	67.4	0	0	0	0	110.3	C91 K96	C91-C94 CarbonylContact C-O 3.49Å; C91-C94 HydrophobicContact CB-CB 4.27Å; C91-C94 WeakPolarHBondContact CB-O 3.3Å; C91-C94 WeakPolarHBondContact CB-SG 3.35Å; C91-C94 WeakPolarHBondContact SG-CB 3.35Å; C91-C94 PolarHBondContact SG-N 3.43Å; C91-C94 PolarHBondContact SG-O 3.39Å; C91-C94 CovalentContact SG-SG 2.07Å; C91-C94 PolarHBondContact SG-SG 3.36Å; C94-K96 PolarHBondContact O-N 3.15Å
95	D	67	Low	67	Low	157 Å²	157	89.3 Å²	89.3	84%	0.84	49%	0.485	S	S	*	.	S	Bend	trans	-72.4	22.6	-178.2	-59.3	-42.5	0	0	0	114.6
96	K	73.3	Confident	66.9	Low	136 Å²	136	92.7 Å²	92.7	59%	0.591	49%	0.487	S	S	*	.			trans	-87.9	122	-178.9	-64.1	-178.5	-177.7	174.3	0	110.6	C91 C94 F98	C91-K96 HydrophobicContact CB-CB 4.35Å; C91-K96 WeakPolarHBondContact CB-O 3.22Å; C91-K96 PolarHBondContact N-O 2.85Å; C94-K96 PolarHBondContact O-N 3.15Å; K96-F98 HydrophobicContact CB-CE1 3.94Å; K96-F98 HydrophobicContact CB-CE2 4.43Å; K96-F98 HydrophobicContact CB-CZ 3.72Å
97	A	73.4	Confident	66.8	Low	29 Å²	29	91.8 Å²	91.8	24%	0.24	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147	171.2	0	0	0	0	0	112.3	K87 Y89	K87-A97 HydrophobicContact CB-CB 3.59Å; K87-A97 HydrophobicContact CD-CB 4.22Å; K87-A97 WeakPolarHBondContact CD-O 3.17Å; K87-A97 WeakPolarHBondContact CE-O 3.34Å; K87-A97 PolarHBondContact NZ-O 3.13Å; Y89-A97 CarbonylContact O-C 3.57Å; Y89-A97 WeakPolarHBondContact O-CA 3.1Å
98	F	70.5	Confident	67	Low	51 Å²	51	88.8 Å²	88.8	22%	0.224	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.1	-173.3	-50	-61.6	0	0	0	113.1	K87 Y89 C91 K96 S100 H102	K87-F98 CarbonylContact C-O 3.54Å; K87-F98 WeakPolarHBondContact CA-O 3.34Å; Y89-F98 PolarHBondContact N-O 2.87Å; Y89-F98 PolarHBondContact O-N 3Å; C91-F98 HydrophobicContact CB-CE2 3.8Å; C91-F98 HydrophobicContact CB-CZ 4.34Å; K96-F98 HydrophobicContact CB-CE1 3.94Å; K96-F98 HydrophobicContact CB-CE2 4.43Å; K96-F98 HydrophobicContact CB-CZ 3.72Å; F98-S100 VanDerWaalsContact C-N 3.35Å; F98-H102 AromaticContact CD1-CE1 3.15Å; F98-H102 WeakPolarHBondContact CD1-CE1 3.34Å; F98-H102 AromaticContact CD1-ND1 3.98Å; F98-H102 AromaticContact CD2-CE1 3.11Å; F98-H102 WeakPolarHBondContact CD2-CE1 3.43Å; F98-H102 AromaticContact CD2-ND1 3.62Å; F98-H102 AromaticContact CD2-NE2 3.77Å; F98-H102 AromaticContact CE1-CE1 3.22Å; F98-H102 WeakPolarHBondContact CE1-CE1 3.47Å; F98-H102 AromaticContact CE1-NE2 3.7Å; F98-H102 AromaticContact CE2-CE1 3.18Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.35Å; F98-H102 AromaticContact CE2-NE2 3.37Å; F98-H102 WeakPolarHBondContact CE2-NE2 3.34Å; F98-H102 AromaticContact CG-CE1 3.05Å; F98-H102 WeakPolarHBondContact CG-CE1 3.48Å; F98-H102 AromaticContact CG-ND1 3.53Å; F98-H102 AromaticContact CZ-CE1 3.23Å; F98-H102 WeakPolarHBondContact CZ-CE1 3.49Å; F98-H102 AromaticContact CZ-NE2 3.32Å; F98-H102 VanDerWaalsContact CZ-NE2 3.32Å; F98-H102 WeakPolarHBondContact CZ-NE2 3.5Å
99	A	66.2	Low	67.5	Low	37 Å²	37	87.8 Å²	87.8	31%	0.306	47%	0.473	S	S	.	.	S	Bend	trans	-80.9	-14.1	-178.8	0	0	0	0	0	113.3	R81 K87	R81-A99 HydrophobicContact CB-CB 4.37Å; R81-A99 PolarHBondContact NE-O 3.13Å; R81-A99 PolarHBondContact NH1-O 3.01Å; R81-A99 PolarHBondContact NH2-O 3.5Å; K87-A99 HydrophobicContact CG-CB 4.44Å
100	S	64.9	Low	68.1	Low	62 Å²	62	83.8 Å²	83.8	43%	0.434	46%	0.459	S	S	.	.	S	Bend	trans	-136.6	147	176.2	-172.8	0	0	0	0	107.8	F98 H102	F98-S100 VanDerWaalsContact C-N 3.35Å; S100-H102 PolarHBondContact O-N 3.31Å
101	P	57.5	Low	68.8	Low	76 Å²	76	82.1 Å²	82.1	49%	0.494	47%	0.468	S	S	.	.			trans	-63.2	116.3	173.5	-0.2	12.9	0	0	0	106.8	Y89	Y89-P101 HydrophobicContact CD1-CB 4.3Å; Y89-P101 HydrophobicContact CD1-CG 4.31Å; Y89-P101 HydrophobicContact CD2-CB 4.45Å; Y89-P101 HydrophobicContact CD2-CG 4.2Å; Y89-P101 VanDerWaalsContact CD2-N 3.32Å; Y89-P101 HydrophobicContact CE1-CB 4.3Å; Y89-P101 HydrophobicContact CE1-CG 3.86Å; Y89-P101 HydrophobicContact CE2-CB 4.41Å; Y89-P101 HydrophobicContact CE2-CG 3.69Å; Y89-P101 HydrophobicContact CG-CB 4.37Å; Y89-P101 HydrophobicContact CG-CG 4.47Å
102	H	55	Low	69.6	Low	104 Å²	104	86.2 Å²	86.2	48%	0.481	49%	0.488	S	S	.	.			trans	-118.1	107.7	156	66.2	-87.3	0	0	0	106.4	F98 S100 G104	F98-H102 AromaticContact CD1-CE1 3.15Å; F98-H102 WeakPolarHBondContact CD1-CE1 3.34Å; F98-H102 AromaticContact CD1-ND1 3.98Å; F98-H102 AromaticContact CD2-CE1 3.11Å; F98-H102 WeakPolarHBondContact CD2-CE1 3.43Å; F98-H102 AromaticContact CD2-ND1 3.62Å; F98-H102 AromaticContact CD2-NE2 3.77Å; F98-H102 AromaticContact CE1-CE1 3.22Å; F98-H102 WeakPolarHBondContact CE1-CE1 3.47Å; F98-H102 AromaticContact CE1-NE2 3.7Å; F98-H102 AromaticContact CE2-CE1 3.18Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.35Å; F98-H102 AromaticContact CE2-NE2 3.37Å; F98-H102 WeakPolarHBondContact CE2-NE2 3.34Å; F98-H102 AromaticContact CG-CE1 3.05Å; F98-H102 WeakPolarHBondContact CG-CE1 3.48Å; F98-H102 AromaticContact CG-ND1 3.53Å; F98-H102 AromaticContact CZ-CE1 3.23Å; F98-H102 WeakPolarHBondContact CZ-CE1 3.49Å; F98-H102 AromaticContact CZ-NE2 3.32Å; F98-H102 VanDerWaalsContact CZ-NE2 3.32Å; F98-H102 WeakPolarHBondContact CZ-NE2 3.5Å; S100-H102 PolarHBondContact O-N 3.31Å; H102-G104 PolarHBondContact O-N 3.15Å
103	T	52.1	Low	70.6	Confident	76 Å²	76	79.5 Å²	79.5	47%	0.466	46%	0.46	S	S	.	.			trans	-76.2	77.1	159.8	54.6	0	0	0	0	105.6	I105 A118	T103-I105 CarbonylContact C-O 3.6Å; T103-I105 WeakPolarHBondContact CB-O 3.36Å; T103-I105 PolarHBondContact O-N 2.62Å; T103-A118 WeakPolarHBondContact OG1-CB 3.46Å
104	G	59.1	Low	71.2	Confident	65 Å²	65	78.8 Å²	78.8	67%	0.67	47%	0.469	S	S	*	.			trans	-59.6	-22.4	165.4	0	0	0	0	0	110.8	H102	H102-G104 PolarHBondContact O-N 3.15Å
105	I	58.5	Low	71.8	Confident	80 Å²	80	82.1 Å²	82.1	41%	0.41	48%	0.478	S	S	.	.			trans	-77.9	122.8	167.8	-54.3	140.2	0	0	0	107.9	Y93 T103 P107	Y93-I105 HydrophobicContact CD2-CD1 3.69Å; Y93-I105 HydrophobicContact CD2-CG1 4.37Å; Y93-I105 HydrophobicContact CE2-CD1 3.71Å; Y93-I105 HydrophobicContact CE2-CG1 4.28Å; T103-I105 CarbonylContact C-O 3.6Å; T103-I105 WeakPolarHBondContact CB-O 3.36Å; T103-I105 PolarHBondContact O-N 2.62Å; I105-P107 HydrophobicContact CG2-CB 4.46Å; I105-P107 WeakPolarHBondContact O-CD 3.3Å
106	K	74.9	Confident	72.5	Confident	117 Å²	117	80.6 Å²	80.6	51%	0.509	46%	0.463	S	S	.	.			trans	-112.9	80.6	173.3	-72.8	167.4	154	-139.8	0	107.6	H108 K116 F117	K106-H108 VanDerWaalsContact C-N 3.25Å; K106-H108 PolarHBondContact O-N 2.88Å; K106-K116 HydrophobicContact CB-CB 3.6Å; K106-K116 HydrophobicContact CD-CB 4.3Å; K106-K116 VanDerWaalsContact CD-O 3.23Å; K106-K116 WeakPolarHBondContact CD-O 3.38Å; K106-K116 WeakPolarHBondContact CE-O 3.15Å; K106-K116 PolarHBondContact NZ-O 3.2Å; K106-F117 CarbonylContact C-O 3.5Å; K106-F117 VanDerWaalsContact C-O 3.3Å; K106-F117 VanDerWaalsContact CA-O 3.27Å; K106-F117 WeakPolarHBondContact CA-O 3.12Å
107	P	72.8	Confident	72.8	Confident	84 Å²	84	75.8 Å²	75.8	55%	0.545	44%	0.443	S	S	.	.			trans	-71.7	-23.3	-171.3	27.7	-30.2	0	0	0	112.1	I105 A109	I105-P107 HydrophobicContact CG2-CB 4.46Å; I105-P107 WeakPolarHBondContact O-CD 3.3Å; P107-A109 PolarHBondContact O-N 3.13Å
108	H	81.5	Confident	72.9	Confident	56 Å²	56	75.5 Å²	75.5	26%	0.259	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	96	-174.2	-52.1	-68.4	0	0	0	110.8	K106 K116 F117 L120 L123	K106-H108 VanDerWaalsContact C-N 3.25Å; K106-H108 PolarHBondContact O-N 2.88Å; H108-K116 CarbonylContact O-C 3.6Å; H108-K116 WeakPolarHBondContact O-CA 3.37Å; H108-F117 HydrophobicContact CB-CB 4.47Å; H108-F117 PolarHBondContact N-O 3.09Å; H108-F117 PolarHBondContact O-N 3.41Å; H108-L120 PolarHBondContact CD2-N 3.46Å; H108-L123 HydrophobicContact CB-CB 4.2Å; H108-L123 HydrophobicContact CB-CD2 3.95Å
109	A	83.3	Confident	73.2	Confident	53 Å²	53	75.9 Å²	75.9	44%	0.438	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.4	171.8	0	0	0	0	0	110.8	P107 K116	P107-A109 PolarHBondContact O-N 3.13Å; A109-K116 HydrophobicContact CB-CD 4.49Å; A109-K116 HydrophobicContact CB-CG 3.99Å
110	C	84.4	Confident	73.8	Confident	9 Å²	9	77.9 Å²	77.9	6%	0.061	45%	0.452	C	S	.	.			trans	-72	134.9	164.6	-178.8	0	0	0	0	108.9	L112 C113 K115 F117 L123 H126 M127 H130	C110-L112 VanDerWaalsContact C-N 3.28Å; C110-L112 PolarHBondContact SG-N 3.2Å; C110-L112 VanDerWaalsContact SG-N 3.36Å; C110-C113 WeakPolarHBondContact CB-O 3.4Å; C110-K115 PolarHBondContact N-O 2.87Å; C110-F117 HydrophobicContact CB-CE2 4.23Å; C110-L123 HydrophobicContact CB-CD1 3.82Å; C110-H126 PolarHBondContact SG-NE2 3.48Å; C110-H126 VanDerWaalsContact SG-NE2 3.39Å; C110-M127 VanDerWaalsContact SG-SD 3.68Å; C110-H130 PolarHBondContact SG-NE2 3.37Å; C110-H130 VanDerWaalsContact SG-NE2 3.4Å
111	A	82.8	Confident	74.6	Confident	102 Å²	102	78.3 Å²	78.3	84%	0.843	46%	0.455	S	S	*	.	S	Bend	trans	-75.5	-20	176.7	0	0	0	0	0	112.8
112	L	81.8	Confident	75.7	Confident	109 Å²	109	78.6 Å²	78.6	57%	0.571	45%	0.452	S	S	*	.	S	Bend	trans	-99.8	-8.2	-176	-58.3	174.7	0	0	0	113.2	C110 M127 H130	C110-L112 VanDerWaalsContact C-N 3.28Å; C110-L112 PolarHBondContact SG-N 3.2Å; C110-L112 VanDerWaalsContact SG-N 3.36Å; L112-M127 HydrophobicContact CD1-CE 3.8Å; L112-M127 HydrophobicContact CG-CE 4.37Å; L112-H130 WeakPolarHBondContact CB-CE1 3.27Å; L112-H130 HydrophobicContact CD1-CB 3.52Å
113	C	85	Confident	77.1	Confident	35 Å²	35	75 Å²	75	24%	0.236	44%	0.437	C	S	.	.	S	Bend	trans	-159.3	164.3	173.6	73.4	0	0	0	0	112.4	C110 K115 H126	C110-C113 WeakPolarHBondContact CB-O 3.4Å; C113-K115 PolarHBondContact O-N 2.93Å; C113-K115 VanDerWaalsContact SG-CG 3.59Å; C113-H126 PolarHBondContact SG-NE2 2.74Å
114	D	80.5	Confident	78.5	Confident	168 Å²	168	79 Å²	79	90%	0.898	44%	0.443	S	S	*	.	S	Bend	trans	-68.2	10.8	-177.5	-67	-29.3	0	0	0	115.9
115	K	84.2	Confident	79.4	Confident	119 Å²	119	79.2 Å²	79.2	52%	0.517	43%	0.432	S	S	.	.			trans	-80.6	128	-177.7	-65.6	177.6	-160.3	-81.9	0	110.7	C110 C113 F117	C110-K115 PolarHBondContact N-O 2.87Å; C113-K115 PolarHBondContact O-N 2.93Å; C113-K115 VanDerWaalsContact SG-CG 3.59Å; K115-F117 HydrophobicContact CB-CE2 3.55Å; K115-F117 HydrophobicContact CB-CZ 3.63Å; K115-F117 HydrophobicContact CD-CZ 4.13Å; K115-F117 WeakPolarHBondContact O-CE2 3.49Å
116	K	81.4	Confident	80.5	Confident	124 Å²	124	76.3 Å²	76.3	54%	0.539	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.7	171.9	-53	-171.6	179.9	-174	0	111.7	K106 H108 A109	K106-K116 HydrophobicContact CB-CB 3.6Å; K106-K116 HydrophobicContact CD-CB 4.3Å; K106-K116 VanDerWaalsContact CD-O 3.23Å; K106-K116 WeakPolarHBondContact CD-O 3.38Å; K106-K116 WeakPolarHBondContact CE-O 3.15Å; K106-K116 PolarHBondContact NZ-O 3.2Å; H108-K116 CarbonylContact O-C 3.6Å; H108-K116 WeakPolarHBondContact O-CA 3.37Å; A109-K116 HydrophobicContact CB-CD 4.49Å; A109-K116 HydrophobicContact CB-CG 3.99Å
117	F	79.2	Confident	80.8	Confident	35 Å²	35	74.1 Å²	74.1	15%	0.154	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147	-175.1	-59.8	-86.7	0	0	0	111.6	K106 H108 C110 K115 N122 L123 H126	K106-F117 CarbonylContact C-O 3.5Å; K106-F117 VanDerWaalsContact C-O 3.3Å; K106-F117 VanDerWaalsContact CA-O 3.27Å; K106-F117 WeakPolarHBondContact CA-O 3.12Å; H108-F117 HydrophobicContact CB-CB 4.47Å; H108-F117 PolarHBondContact N-O 3.09Å; H108-F117 PolarHBondContact O-N 3.41Å; C110-F117 HydrophobicContact CB-CE2 4.23Å; K115-F117 HydrophobicContact CB-CE2 3.55Å; K115-F117 HydrophobicContact CB-CZ 3.63Å; K115-F117 HydrophobicContact CD-CZ 4.13Å; K115-F117 WeakPolarHBondContact O-CE2 3.49Å; F117-N122 HydrophobicContact CB-CB 4.04Å; F117-N122 HydrophobicContact CD1-CB 3.98Å; F117-N122 HydrophobicContact CG-CB 4.37Å; F117-L123 HydrophobicContact CB-CB 4.11Å; F117-L123 HydrophobicContact CD2-CB 4.03Å; F117-L123 HydrophobicContact CD2-CD1 3.7Å; F117-L123 HydrophobicContact CD2-CG 4.47Å; F117-L123 HydrophobicContact CE2-CD1 4Å; F117-L123 HydrophobicContact CG-CB 4.2Å; F117-H126 HydrophobicContact CD1-CB 4.4Å; F117-H126 HydrophobicContact CE1-CB 3.61Å; F117-H126 AromaticContact CE1-CG 3.89Å; F117-H126 HydrophobicContact CE2-CB 3.86Å; F117-H126 AromaticContact CE2-CD2 3.1Å; F117-H126 WeakPolarHBondContact CE2-CD2 3.23Å; F117-H126 AromaticContact CE2-CG 3.55Å; F117-H126 AromaticContact CE2-NE2 3.8Å; F117-H126 HydrophobicContact CZ-CB 3.32Å; F117-H126 AromaticContact CZ-CD2 3.17Å; F117-H126 WeakPolarHBondContact CZ-CD2 3.38Å; F117-H126 AromaticContact CZ-CG 3.09Å; F117-H126 AromaticContact CZ-ND1 3.78Å; F117-H126 AromaticContact CZ-NE2 3.81Å
118	A	74.7	Confident	81	Confident	24 Å²	24	73.2 Å²	73.2	20%	0.198	40%	0.398	C	S	.	.	S	Bend	trans	-70.2	-36.7	-178.4	0	0	0	0	0	113.1	T103	T103-A118 WeakPolarHBondContact OG1-CB 3.46Å
119	T	77.8	Confident	80.6	Confident	58 Å²	58	73.5 Å²	73.5	36%	0.356	41%	0.407	S	S	.	.	S	Bend	trans	-132.7	152.1	-176.2	59.1	0	0	0	0	109.3	S121 N122 L123	T119-S121 PolarHBondContact O-N 3.25Å; T119-N122 PolarHBondContact O-N 2.71Å; T119-N122 VanDerWaalsContact O-N 3.09Å; T119-N122 WeakPolarHBondContact OG1-CB 3.31Å; T119-N122 PolarHBondContact OG1-N 2.82Å; T119-N122 PolarHBondContact OG1-OD1 3.38Å; T119-L123 PolarHBondContact O-N 3.08Å; T119-L123 VanDerWaalsContact O-N 3.13Å
120	L	79.4	Confident	80.3	Confident	80 Å²	80	74.3 Å²	74.3	42%	0.419	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-31.6	177.9	-151.8	133.7	0	0	0	111.5	H108 N122 L123 R124	H108-L120 PolarHBondContact CD2-N 3.46Å; L120-N122 PolarHBondContact O-N 2.81Å; L120-L123 PolarHBondContact O-N 3.35Å; L120-R124 HydrophobicContact CD2-CG 4.23Å; L120-R124 VanDerWaalsContact CD2-NE 3.29Å; L120-R124 VanDerWaalsContact CD2-NH2 3.31Å; L120-R124 WeakPolarHBondContact O-CG 3.22Å; L120-R124 PolarHBondContact O-N 2.99Å
121	S	80	Confident	79.7	Confident	71 Å²	71	76 Å²	76	50%	0.497	41%	0.414	S	S	.	.	H	α-helix	trans	-63.1	-36.5	171.8	-49.7	0	0	0	0	113.4	T119 R124 T125	T119-S121 PolarHBondContact O-N 3.25Å; S121-R124 PolarHBondContact O-N 3.14Å; S121-T125 PolarHBondContact O-N 3.45Å; S121-T125 PolarHBondContact O-OG1 3.49Å
122	N	81.7	Confident	78.8	Confident	81 Å²	81	80.1 Å²	80.1	43%	0.433	42%	0.415	S	S	.	.	H	α-helix	trans	-72.1	-34.4	175.6	-73.2	13.3	0	0	0	111.7	F117 T119 L120 T125 H126	F117-N122 HydrophobicContact CB-CB 4.04Å; F117-N122 HydrophobicContact CD1-CB 3.98Å; F117-N122 HydrophobicContact CG-CB 4.37Å; T119-N122 PolarHBondContact O-N 2.71Å; T119-N122 VanDerWaalsContact O-N 3.09Å; T119-N122 WeakPolarHBondContact OG1-CB 3.31Å; T119-N122 PolarHBondContact OG1-N 2.82Å; T119-N122 PolarHBondContact OG1-OD1 3.38Å; L120-N122 PolarHBondContact O-N 2.81Å; N122-T125 VanDerWaalsContact CA-OG1 3.31Å; N122-T125 WeakPolarHBondContact CA-OG1 3.37Å; N122-T125 PolarHBondContact O-OG1 3.48Å; N122-H126 WeakPolarHBondContact O-CB 3.47Å; N122-H126 PolarHBondContact O-N 3.2Å
123	L	83.2	Confident	78	Confident	28 Å²	28	82.4 Å²	82.4	15%	0.147	42%	0.423	C	S	.	.	H	α-helix	trans	-65.8	-49.2	170.5	174.5	60.4	0	0	0	110.6	H108 C110 F117 T119 L120 T125 H126 M127	H108-L123 HydrophobicContact CB-CB 4.2Å; H108-L123 HydrophobicContact CB-CD2 3.95Å; C110-L123 HydrophobicContact CB-CD1 3.82Å; F117-L123 HydrophobicContact CB-CB 4.11Å; F117-L123 HydrophobicContact CD2-CB 4.03Å; F117-L123 HydrophobicContact CD2-CD1 3.7Å; F117-L123 HydrophobicContact CD2-CG 4.47Å; F117-L123 HydrophobicContact CE2-CD1 4Å; F117-L123 HydrophobicContact CG-CB 4.2Å; T119-L123 PolarHBondContact O-N 3.08Å; T119-L123 VanDerWaalsContact O-N 3.13Å; L120-L123 PolarHBondContact O-N 3.35Å; L123-T125 PolarHBondContact O-N 3.06Å; L123-H126 CarbonylContact O-C 3.47Å; L123-H126 WeakPolarHBondContact O-CA 3.28Å; L123-H126 WeakPolarHBondContact O-CB 3.14Å; L123-H126 PolarHBondContact O-N 2.7Å; L123-M127 HydrophobicContact CD1-CG 4.27Å; L123-M127 HydrophobicContact CD1-SD 4.09Å; L123-M127 HydrophobicContact CG-CG 4.41Å; L123-M127 WeakPolarHBondContact O-CG 3.13Å; L123-M127 PolarHBondContact O-N 3.48Å
124	R	82.4	Confident	77.6	Confident	162 Å²	162	86.4 Å²	86.4	61%	0.611	44%	0.437	S	S	*	.	H	α-helix	trans	-55.8	-47.6	177.7	-74.8	-176.6	-162.3	154.8	5.2	112.2	L120 S121 H126 M127	L120-R124 HydrophobicContact CD2-CG 4.23Å; L120-R124 VanDerWaalsContact CD2-NE 3.29Å; L120-R124 VanDerWaalsContact CD2-NH2 3.31Å; L120-R124 WeakPolarHBondContact O-CG 3.22Å; L120-R124 PolarHBondContact O-N 2.99Å; S121-R124 PolarHBondContact O-N 3.14Å; R124-H126 VanDerWaalsContact C-N 3.33Å; R124-H126 PolarHBondContact O-N 3.25Å; R124-M127 WeakPolarHBondContact O-CB 3.2Å; R124-M127 PolarHBondContact O-N 3.4Å; R124-M127 VanDerWaalsContact O-N 3.15Å
125	T	78.1	Confident	77.4	Confident	69 Å²	69	82.4 Å²	82.4	42%	0.423	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-46.2	174.3	43.9	0	0	0	0	110.5	S121 N122 L123 M127 I128 H147	S121-T125 PolarHBondContact O-N 3.45Å; S121-T125 PolarHBondContact O-OG1 3.49Å; N122-T125 VanDerWaalsContact CA-OG1 3.31Å; N122-T125 WeakPolarHBondContact CA-OG1 3.37Å; N122-T125 PolarHBondContact O-OG1 3.48Å; L123-T125 PolarHBondContact O-N 3.06Å; T125-M127 VanDerWaalsContact C-N 3.3Å; T125-M127 PolarHBondContact O-N 3.32Å; T125-I128 WeakPolarHBondContact O-CB 3.02Å; T125-I128 WeakPolarHBondContact O-CG1 3.18Å; T125-I128 PolarHBondContact O-N 3.23Å; T125-I128 VanDerWaalsContact O-N 3.13Å; T125-H147 PolarHBondContact O-CE1 3.42Å
126	H	82.4	Confident	77.3	Confident	18 Å²	18	80.3 Å²	80.3	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-33.7	174.4	168.1	57.7	0	0	0	114.5	C110 C113 F117 N122 L123 R124 I128 S129 H130	C110-H126 PolarHBondContact SG-NE2 3.48Å; C110-H126 VanDerWaalsContact SG-NE2 3.39Å; C113-H126 PolarHBondContact SG-NE2 2.74Å; F117-H126 HydrophobicContact CD1-CB 4.4Å; F117-H126 HydrophobicContact CE1-CB 3.61Å; F117-H126 AromaticContact CE1-CG 3.89Å; F117-H126 HydrophobicContact CE2-CB 3.86Å; F117-H126 AromaticContact CE2-CD2 3.1Å; F117-H126 WeakPolarHBondContact CE2-CD2 3.23Å; F117-H126 AromaticContact CE2-CG 3.55Å; F117-H126 AromaticContact CE2-NE2 3.8Å; F117-H126 HydrophobicContact CZ-CB 3.32Å; F117-H126 AromaticContact CZ-CD2 3.17Å; F117-H126 WeakPolarHBondContact CZ-CD2 3.38Å; F117-H126 AromaticContact CZ-CG 3.09Å; F117-H126 AromaticContact CZ-ND1 3.78Å; F117-H126 AromaticContact CZ-NE2 3.81Å; N122-H126 WeakPolarHBondContact O-CB 3.47Å; N122-H126 PolarHBondContact O-N 3.2Å; L123-H126 CarbonylContact O-C 3.47Å; L123-H126 WeakPolarHBondContact O-CA 3.28Å; L123-H126 WeakPolarHBondContact O-CB 3.14Å; L123-H126 PolarHBondContact O-N 2.7Å; R124-H126 VanDerWaalsContact C-N 3.33Å; R124-H126 PolarHBondContact O-N 3.25Å; H126-I128 PolarHBondContact O-N 2.94Å; H126-I128 VanDerWaalsContact O-N 3.15Å; H126-S129 PolarHBondContact CE1-OG 3.21Å; H126-S129 PolarHBondContact ND1-OG 3.37Å; H126-S129 WeakPolarHBondContact O-CB 3.29Å; H126-S129 PolarHBondContact O-N 3.35Å; H126-S129 PolarHBondContact O-OG 3.48Å; H126-H130 AromaticContact CE1-CD2 3.85Å; H126-H130 AromaticContact CE1-NE2 3.57Å; H126-H130 AromaticContact NE2-CD2 3.76Å; H126-H130 AromaticContact NE2-NE2 3.43Å; H126-H130 PolarHBondContact NE2-NE2 3.04Å
127	M	79.6	Confident	77.3	Confident	71 Å²	71	77 Å²	77	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-25.7	176.8	-66.8	-57.5	-69.1	0	0	112.5	C110 L112 L123 R124 T125 S129 H130 S131	C110-M127 VanDerWaalsContact SG-SD 3.68Å; L112-M127 HydrophobicContact CD1-CE 3.8Å; L112-M127 HydrophobicContact CG-CE 4.37Å; L123-M127 HydrophobicContact CD1-CG 4.27Å; L123-M127 HydrophobicContact CD1-SD 4.09Å; L123-M127 HydrophobicContact CG-CG 4.41Å; L123-M127 WeakPolarHBondContact O-CG 3.13Å; L123-M127 PolarHBondContact O-N 3.48Å; R124-M127 WeakPolarHBondContact O-CB 3.2Å; R124-M127 PolarHBondContact O-N 3.4Å; R124-M127 VanDerWaalsContact O-N 3.15Å; T125-M127 VanDerWaalsContact C-N 3.3Å; T125-M127 PolarHBondContact O-N 3.32Å; M127-S129 PolarHBondContact O-N 3.42Å; M127-H130 WeakPolarHBondContact O-CA 3.44Å; M127-H130 WeakPolarHBondContact O-CB 3.43Å; M127-H130 PolarHBondContact O-N 2.88Å; M127-S131 PolarHBondContact O-N 3.24Å
128	I	77.1	Confident	77.5	Confident	65 Å²	65	75.6 Å²	75.6	33%	0.333	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.7	173.2	-49	170.3	0	0	0	111.7	T125 H126 H130 S131 A146	T125-I128 WeakPolarHBondContact O-CB 3.02Å; T125-I128 WeakPolarHBondContact O-CG1 3.18Å; T125-I128 PolarHBondContact O-N 3.23Å; T125-I128 VanDerWaalsContact O-N 3.13Å; H126-I128 PolarHBondContact O-N 2.94Å; H126-I128 VanDerWaalsContact O-N 3.15Å; I128-H130 VanDerWaalsContact C-N 3.28Å; I128-S131 VanDerWaalsContact CA-OG 3.29Å; I128-S131 WeakPolarHBondContact CA-OG 3.4Å; I128-S131 PolarHBondContact O-N 2.82Å; I128-S131 PolarHBondContact O-OG 2.81Å; I128-A146 HydrophobicContact CG2-CB 4.17Å; I128-A146 WeakPolarHBondContact CG2-O 3.49Å
129	S	73.1	Confident	77.8	Confident	63 Å²	63	83.9 Å²	83.9	44%	0.441	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15	173.4	69.3	0	0	0	0	113.9	H126 M127	H126-S129 PolarHBondContact CE1-OG 3.21Å; H126-S129 PolarHBondContact ND1-OG 3.37Å; H126-S129 WeakPolarHBondContact O-CB 3.29Å; H126-S129 PolarHBondContact O-N 3.35Å; H126-S129 PolarHBondContact O-OG 3.48Å; M127-S129 PolarHBondContact O-N 3.42Å
130	H	77.6	Confident	77.7	Confident	70 Å²	70	86.3 Å²	86.3	32%	0.324	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-19	171.4	-73.6	-74.9	0	0	0	112.7	C110 L112 H126 M127 I128	C110-H130 PolarHBondContact SG-NE2 3.37Å; C110-H130 VanDerWaalsContact SG-NE2 3.4Å; L112-H130 WeakPolarHBondContact CB-CE1 3.27Å; L112-H130 HydrophobicContact CD1-CB 3.52Å; H126-H130 AromaticContact CE1-CD2 3.85Å; H126-H130 AromaticContact CE1-NE2 3.57Å; H126-H130 AromaticContact NE2-CD2 3.76Å; H126-H130 AromaticContact NE2-NE2 3.43Å; H126-H130 PolarHBondContact NE2-NE2 3.04Å; M127-H130 WeakPolarHBondContact O-CA 3.44Å; M127-H130 WeakPolarHBondContact O-CB 3.43Å; M127-H130 PolarHBondContact O-N 2.88Å; I128-H130 VanDerWaalsContact C-N 3.28Å
131	S	71.9	Confident	77.9	Confident	45 Å²	45	85 Å²	85	32%	0.315	44%	0.443	S	S	.	.	S	Bend	trans	-78.1	139.8	170.9	57.4	0	0	0	0	110.8	M127 I128 E133	M127-S131 PolarHBondContact O-N 3.24Å; I128-S131 VanDerWaalsContact CA-OG 3.29Å; I128-S131 WeakPolarHBondContact CA-OG 3.4Å; I128-S131 PolarHBondContact O-N 2.82Å; I128-S131 PolarHBondContact O-OG 2.81Å; S131-E133 PolarHBondContact O-N 3.21Å
132	E	64.1	Low	77.9	Confident	188 Å²	188	83.6 Å²	83.6	88%	0.879	44%	0.441	S	S	*	.	S	Bend	trans	-71.8	-12.6	173.8	-61.1	-167.9	163.9	0	0	113	K134	E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 3.05Å
133	E	64.4	Low	77.9	Confident	157 Å²	157	85.6 Å²	85.6	73%	0.734	45%	0.446	S	S	*	.			trans	-67.4	84.1	177.2	-65	-177.7	-175.6	0	0	112	S131 A135	S131-E133 PolarHBondContact O-N 3.21Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.39Å; E133-A135 VanDerWaalsContact O-N 3.08Å
134	K	76.5	Confident	77.7	Confident	119 Å²	119	89.6 Å²	89.6	52%	0.517	46%	0.463	S	S	.	.			trans	-83.4	76.2	172.4	-66.2	170.8	-178.6	166.7	0	110.2	E132 F136 H144 F145	E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 3.05Å; K134-F136 PolarHBondContact O-N 3.02Å; K134-F136 VanDerWaalsContact O-N 3.08Å; K134-H144 HydrophobicContact CB-CB 3.53Å; K134-H144 HydrophobicContact CD-CB 3.98Å; K134-H144 HydrophobicContact CG-CB 4.41Å; K134-F145 CarbonylContact C-O 3.51Å
135	A	77.3	Confident	77.6	Confident	84 Å²	84	83.8 Å²	83.8	69%	0.694	44%	0.442	S	S	*	.			trans	-61.7	-15.6	-174.7	0	0	0	0	0	115.8	E133	E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.39Å; E133-A135 VanDerWaalsContact O-N 3.08Å
136	F	82	Confident	77.5	Confident	74 Å²	74	81.4 Å²	81.4	33%	0.325	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	101.5	-175.2	-57.9	-78.3	0	0	0	111.5	K134 H144 F145 R148 L151	K134-F136 PolarHBondContact O-N 3.02Å; K134-F136 VanDerWaalsContact O-N 3.08Å; F136-H144 CarbonylContact O-C 3.51Å; F136-H144 WeakPolarHBondContact O-CA 3.05Å; F136-F145 HydrophobicContact CB-CB 4.41Å; F136-F145 WeakPolarHBondContact CB-O 3.23Å; F136-F145 PolarHBondContact N-O 3.39Å; F136-F145 VanDerWaalsContact N-O 3.09Å; F136-F145 WeakPolarHBondContact O-CD2 3.5Å; F136-F145 PolarHBondContact O-N 3.46Å; F136-R148 HydrophobicContact CD1-CB 4.21Å; F136-R148 HydrophobicContact CD1-CG 4.5Å; F136-R148 HydrophobicContact CE1-CB 4.01Å; F136-R148 HydrophobicContact CE1-CG 4.39Å; F136-R148 HydrophobicContact CE2-CB 4.39Å; F136-R148 HydrophobicContact CG-CB 4.49Å; F136-R148 HydrophobicContact CZ-CB 4.11Å; F136-L151 HydrophobicContact CB-CB 4.17Å; F136-L151 HydrophobicContact CB-CD2 3.92Å
137	S	80.5	Confident	77.3	Confident	56 Å²	56	82.8 Å²	82.8	39%	0.392	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	150.8	174.6	59.7	0	0	0	0	112.2	K143 L151	S137-K143 CarbonylContact C-O 3.57Å; S137-K143 WeakPolarHBondContact CA-O 3.46Å; S137-L151 WeakPolarHBondContact O-CD1 3.34Å
138	C	83.6	Confident	77.3	Confident	5 Å²	5	88.5 Å²	88.5	3%	0.034	45%	0.454	C	S	.	.			trans	-91.2	115	169.9	179.3	0	0	0	0	109.4	Q140 C141 G142 K143 F145 L151	C138-Q140 PolarHBondContact O-N 3.35Å; C138-Q140 VanDerWaalsContact O-N 3.17Å; C138-C141 PolarHBondContact O-N 2.8Å; C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.41Å; C138-G142 PolarHBondContact O-N 3.21Å; C138-K143 PolarHBondContact N-O 3.43Å; C138-F145 HydrophobicContact CB-CE2 4.17Å; C138-L151 HydrophobicContact CB-CD1 3.62Å
139	E	80.9	Confident	77.3	Confident	197 Å²	197	90.2 Å²	90.2	92%	0.921	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.6	177.8	-67.9	166	-170.3	0	0	113
140	Q	75.6	Confident	77.6	Confident	109 Å²	109	89.7 Å²	89.7	51%	0.509	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-19	-175.3	-163.4	163	0.4	0	0	114.8	C138 H158	C138-Q140 PolarHBondContact O-N 3.35Å; C138-Q140 VanDerWaalsContact O-N 3.17Å; Q140-H158 VanDerWaalsContact OE1-CB 3.25Å
141	C	83.6	Confident	77.8	Confident	52 Å²	52	87.7 Å²	87.7	35%	0.351	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	4.6	179.6	73.8	0	0	0	0	115.4	C138 K143 H154	C138-C141 PolarHBondContact O-N 2.8Å; C141-K143 PolarHBondContact O-N 3.06Å; C141-K143 VanDerWaalsContact O-N 3.14Å; C141-K143 VanDerWaalsContact SG-CG 3.59Å; C141-H154 VanDerWaalsContact SG-CE1 3.59Å; C141-H154 PolarHBondContact SG-NE2 3.1Å
142	G	81.1	Confident	78.3	Confident	43 Å²	43	91.5 Å²	91.5	44%	0.443	46%	0.464	S	S	.	.			trans	68.7	4.5	-179.8	0	0	0	0	0	115.5	C138 H144	C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.41Å; C138-G142 PolarHBondContact O-N 3.21Å; G142-H144 PolarHBondContact O-CE1 2.76Å; G142-H144 VanDerWaalsContact O-CE1 3.25Å; G142-H144 PolarHBondContact O-N 3.06Å; G142-H144 PolarHBondContact O-ND1 3.5Å
143	K	81.2	Confident	78.9	Confident	123 Å²	123	85.7 Å²	85.7	54%	0.535	44%	0.444	S	S	.	.			trans	-70.3	127.6	-179.7	-74	178.9	-177	174.7	0	111.1	S137 C138 C141 F145	S137-K143 CarbonylContact C-O 3.57Å; S137-K143 WeakPolarHBondContact CA-O 3.46Å; C138-K143 PolarHBondContact N-O 3.43Å; C141-K143 PolarHBondContact O-N 3.06Å; C141-K143 VanDerWaalsContact O-N 3.14Å; C141-K143 VanDerWaalsContact SG-CG 3.59Å; K143-F145 HydrophobicContact CB-CE2 3.7Å; K143-F145 HydrophobicContact CB-CZ 3.73Å; K143-F145 VanDerWaalsContact O-CD2 3.3Å; K143-F145 WeakPolarHBondContact O-CD2 3.46Å; K143-F145 WeakPolarHBondContact O-CE2 3.47Å
144	H	78.1	Confident	79.7	Confident	111 Å²	111	79 Å²	79	51%	0.514	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.6	178.8	-63.4	70.2	0	0	0	111.1	K134 F136 G142	K134-H144 HydrophobicContact CB-CB 3.53Å; K134-H144 HydrophobicContact CD-CB 3.98Å; K134-H144 HydrophobicContact CG-CB 4.41Å; F136-H144 CarbonylContact O-C 3.51Å; F136-H144 WeakPolarHBondContact O-CA 3.05Å; G142-H144 PolarHBondContact O-CE1 2.76Å; G142-H144 VanDerWaalsContact O-CE1 3.25Å; G142-H144 PolarHBondContact O-N 3.06Å; G142-H144 PolarHBondContact O-ND1 3.5Å
145	F	81.3	Confident	79.9	Confident	40 Å²	40	79.7 Å²	79.7	18%	0.175	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.1	-176.8	-59.6	-84.4	0	0	0	110.6	K134 F136 C138 K143 H147 L151 H154	K134-F145 CarbonylContact C-O 3.51Å; F136-F145 HydrophobicContact CB-CB 4.41Å; F136-F145 WeakPolarHBondContact CB-O 3.23Å; F136-F145 PolarHBondContact N-O 3.39Å; F136-F145 VanDerWaalsContact N-O 3.09Å; F136-F145 WeakPolarHBondContact O-CD2 3.5Å; F136-F145 PolarHBondContact O-N 3.46Å; C138-F145 HydrophobicContact CB-CE2 4.17Å; K143-F145 HydrophobicContact CB-CE2 3.7Å; K143-F145 HydrophobicContact CB-CZ 3.73Å; K143-F145 VanDerWaalsContact O-CD2 3.3Å; K143-F145 WeakPolarHBondContact O-CD2 3.46Å; K143-F145 WeakPolarHBondContact O-CE2 3.47Å; F145-H147 VanDerWaalsContact C-N 3.25Å; F145-H147 PolarHBondContact O-N 3.19Å; F145-L151 HydrophobicContact CB-CB 4.29Å; F145-L151 HydrophobicContact CD2-CB 3.91Å; F145-L151 HydrophobicContact CD2-CD1 3.76Å; F145-L151 HydrophobicContact CD2-CG 4.45Å; F145-L151 HydrophobicContact CE2-CD1 3.95Å; F145-L151 HydrophobicContact CG-CB 4.26Å; F145-H154 HydrophobicContact CE1-CB 3.93Å; F145-H154 HydrophobicContact CE2-CB 3.95Å; F145-H154 AromaticContact CE2-CD2 3.38Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.39Å; F145-H154 AromaticContact CE2-CG 3.69Å; F145-H154 HydrophobicContact CZ-CB 3.45Å; F145-H154 VanDerWaalsContact CZ-CB 3.45Å; F145-H154 AromaticContact CZ-CD2 3.37Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.17Å; F145-H154 AromaticContact CZ-CG 3.2Å; F145-H154 AromaticContact CZ-ND1 3.73Å; F145-H154 AromaticContact CZ-NE2 3.95Å
146	A	76.4	Confident	79.8	Confident	19 Å²	19	80.9 Å²	80.9	16%	0.157	40%	0.402	C	S	.	.	S	Bend	trans	-68.1	-23.4	173.2	0	0	0	0	0	113.1	I128	I128-A146 HydrophobicContact CG2-CB 4.17Å; I128-A146 WeakPolarHBondContact CG2-O 3.49Å
147	H	78.5	Confident	79.6	Confident	48 Å²	48	85.8 Å²	85.8	22%	0.222	42%	0.418	C	S	.	.			trans	-130.9	138.1	-174.8	-63.3	-70	0	0	0	112.8	T125 F145 T149 S150 L151	T125-H147 PolarHBondContact O-CE1 3.42Å; F145-H147 VanDerWaalsContact C-N 3.25Å; F145-H147 PolarHBondContact O-N 3.19Å; H147-T149 PolarHBondContact O-N 3.26Å; H147-S150 WeakPolarHBondContact O-CA 3.42Å; H147-S150 WeakPolarHBondContact O-CB 3.38Å; H147-S150 PolarHBondContact O-N 3.5Å; H147-L151 PolarHBondContact O-N 2.85Å
148	R	78.2	Confident	79.5	Confident	191 Å²	191	85 Å²	85	72%	0.721	41%	0.408	S	S	*	.	H	α-helix	trans	-57.2	-34	172.4	-167.9	173.1	-176.2	152.6	2.3	113.4	F136 L151 Y152	F136-R148 HydrophobicContact CD1-CB 4.21Å; F136-R148 HydrophobicContact CD1-CG 4.5Å; F136-R148 HydrophobicContact CE1-CB 4.01Å; F136-R148 HydrophobicContact CE1-CG 4.39Å; F136-R148 HydrophobicContact CE2-CB 4.39Å; F136-R148 HydrophobicContact CG-CB 4.49Å; F136-R148 HydrophobicContact CZ-CB 4.11Å; R148-L151 PolarHBondContact O-N 3Å; R148-Y152 WeakPolarHBondContact O-CB 3.42Å; R148-Y152 PolarHBondContact O-N 2.74Å
149	T	77.1	Confident	78.5	Confident	101 Å²	101	88.8 Å²	88.8	62%	0.62	43%	0.426	S	S	*	.	H	α-helix	trans	-68.3	-33.6	174.6	38.5	0	0	0	0	112.9	H147 S153	H147-T149 PolarHBondContact O-N 3.26Å; T149-S153 WeakPolarHBondContact O-CB 3.42Å; T149-S153 PolarHBondContact O-N 3.14Å; T149-S153 PolarHBondContact O-OG 2.73Å
150	S	80.3	Confident	77.5	Confident	51 Å²	51	82.5 Å²	82.5	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-70.3	-44.9	173.6	-61.2	0	0	0	0	111.1	H147 S153 H154	H147-S150 WeakPolarHBondContact O-CA 3.42Å; H147-S150 WeakPolarHBondContact O-CB 3.38Å; H147-S150 PolarHBondContact O-N 3.5Å; S150-S153 PolarHBondContact O-N 3.17Å; S150-H154 VanDerWaalsContact O-CB 3.3Å; S150-H154 WeakPolarHBondContact O-CB 3.28Å; S150-H154 PolarHBondContact O-N 2.96Å
151	L	82.1	Confident	76.6	Confident	29 Å²	29	80 Å²	80	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-58.2	-47.5	171.7	173.6	63.5	0	0	0	111	F136 S137 C138 F145 H147 R148 S153 H154 R155	F136-L151 HydrophobicContact CB-CB 4.17Å; F136-L151 HydrophobicContact CB-CD2 3.92Å; S137-L151 WeakPolarHBondContact O-CD1 3.34Å; C138-L151 HydrophobicContact CB-CD1 3.62Å; F145-L151 HydrophobicContact CB-CB 4.29Å; F145-L151 HydrophobicContact CD2-CB 3.91Å; F145-L151 HydrophobicContact CD2-CD1 3.76Å; F145-L151 HydrophobicContact CD2-CG 4.45Å; F145-L151 HydrophobicContact CE2-CD1 3.95Å; F145-L151 HydrophobicContact CG-CB 4.26Å; H147-L151 PolarHBondContact O-N 2.85Å; R148-L151 PolarHBondContact O-N 3Å; L151-S153 PolarHBondContact O-N 3.28Å; L151-H154 CarbonylContact O-C 3.54Å; L151-H154 WeakPolarHBondContact O-CB 3.38Å; L151-H154 PolarHBondContact O-N 3.01Å; L151-H154 VanDerWaalsContact O-N 3.15Å; L151-R155 WeakPolarHBondContact O-CB 3.3Å; L151-R155 PolarHBondContact O-N 3.15Å
152	Y	81	Confident	75	Confident	125 Å²	125	79.8 Å²	79.8	49%	0.49	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-44.6	178.4	-179.5	-98	0	0	0	112.3	R148 H154 R155 K156	R148-Y152 WeakPolarHBondContact O-CB 3.42Å; R148-Y152 PolarHBondContact O-N 2.74Å; Y152-H154 PolarHBondContact O-N 3.34Å; Y152-R155 PolarHBondContact O-N 3.22Å; Y152-K156 WeakPolarHBondContact O-CB 3.44Å; Y152-K156 PolarHBondContact O-N 2.88Å
153	S	77.6	Confident	73.2	Confident	66 Å²	66	84.3 Å²	84.3	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-30.4	176.9	-58	0	0	0	0	112.6	T149 S150 L151	T149-S153 WeakPolarHBondContact O-CB 3.42Å; T149-S153 PolarHBondContact O-N 3.14Å; T149-S153 PolarHBondContact O-OG 2.73Å; S150-S153 PolarHBondContact O-N 3.17Å; L151-S153 PolarHBondContact O-N 3.28Å
154	H	81.3	Confident	71.5	Confident	16 Å²	16	85.2 Å²	85.2	7%	0.074	41%	0.41	C	S	.	.	H	α-helix	trans	-76	-47	174.1	170.7	71.4	0	0	0	111.8	C141 F145 S150 L151 Y152 K156 R157 H158	C141-H154 VanDerWaalsContact SG-CE1 3.59Å; C141-H154 PolarHBondContact SG-NE2 3.1Å; F145-H154 HydrophobicContact CE1-CB 3.93Å; F145-H154 HydrophobicContact CE2-CB 3.95Å; F145-H154 AromaticContact CE2-CD2 3.38Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.39Å; F145-H154 AromaticContact CE2-CG 3.69Å; F145-H154 HydrophobicContact CZ-CB 3.45Å; F145-H154 VanDerWaalsContact CZ-CB 3.45Å; F145-H154 AromaticContact CZ-CD2 3.37Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.17Å; F145-H154 AromaticContact CZ-CG 3.2Å; F145-H154 AromaticContact CZ-ND1 3.73Å; F145-H154 AromaticContact CZ-NE2 3.95Å; S150-H154 VanDerWaalsContact O-CB 3.3Å; S150-H154 WeakPolarHBondContact O-CB 3.28Å; S150-H154 PolarHBondContact O-N 2.96Å; L151-H154 CarbonylContact O-C 3.54Å; L151-H154 WeakPolarHBondContact O-CB 3.38Å; L151-H154 PolarHBondContact O-N 3.01Å; L151-H154 VanDerWaalsContact O-N 3.15Å; Y152-H154 PolarHBondContact O-N 3.34Å; H154-K156 PolarHBondContact O-N 3.36Å; H154-R157 WeakPolarHBondContact O-CA 3.47Å; H154-R157 VanDerWaalsContact O-CB 3.28Å; H154-R157 WeakPolarHBondContact O-CB 3.46Å; H154-R157 PolarHBondContact O-N 3.32Å; H154-H158 AromaticContact CE1-NE2 3.58Å; H154-H158 AromaticContact NE2-CD2 3.68Å; H154-H158 AromaticContact NE2-NE2 3.28Å; H154-H158 PolarHBondContact NE2-NE2 3.36Å; H154-H158 PolarHBondContact O-N 2.7Å
155	R	80.2	Confident	69.9	Low	133 Å²	133	83 Å²	83	50%	0.502	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-35.1	175.3	-166.2	174	81.2	170.1	10.2	111.7	L151 Y152 R157 H158 M159	L151-R155 WeakPolarHBondContact O-CB 3.3Å; L151-R155 PolarHBondContact O-N 3.15Å; Y152-R155 PolarHBondContact O-N 3.22Å; R155-R157 PolarHBondContact O-N 2.98Å; R155-H158 WeakPolarHBondContact O-CA 3.35Å; R155-H158 WeakPolarHBondContact O-CB 3.47Å; R155-H158 PolarHBondContact O-N 2.95Å; R155-M159 WeakPolarHBondContact O-CG 3.48Å; R155-M159 PolarHBondContact O-N 3.4Å
156	K	76	Confident	67.8	Low	110 Å²	110	87.1 Å²	87.1	48%	0.478	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-32	172.8	-162.9	178.3	179.8	-177.6	0	112.4	Y152 H154 H158 M159 D160	Y152-K156 WeakPolarHBondContact O-CB 3.44Å; Y152-K156 PolarHBondContact O-N 2.88Å; H154-K156 PolarHBondContact O-N 3.36Å; K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 3.32Å; K156-M159 PolarHBondContact O-N 3.1Å; K156-D160 WeakPolarHBondContact O-CB 3.32Å; K156-D160 PolarHBondContact O-N 2.74Å
157	R	77.8	Confident	66.1	Low	176 Å²	176	90.4 Å²	90.4	66%	0.664	45%	0.451	S	S	*	.	H	α-helix	trans	-70.1	-27.7	174	-55	179.6	-161.2	165	4.2	112.8	H154 R155 A161	H154-R157 WeakPolarHBondContact O-CA 3.47Å; H154-R157 VanDerWaalsContact O-CB 3.28Å; H154-R157 WeakPolarHBondContact O-CB 3.46Å; H154-R157 PolarHBondContact O-N 3.32Å; R155-R157 PolarHBondContact O-N 2.98Å; R157-A161 WeakPolarHBondContact O-CB 3.26Å; R157-A161 PolarHBondContact O-N 3.47Å
158	H	77.7	Confident	63.9	Low	39 Å²	39	93.7 Å²	93.7	18%	0.181	47%	0.47	C	S	.	.	H	α-helix	trans	-71.9	-44.6	168.6	-73.4	-74.6	0	0	0	110.8	Q140 H154 R155 K156 D160 A161 V162	Q140-H158 VanDerWaalsContact OE1-CB 3.25Å; H154-H158 AromaticContact CE1-NE2 3.58Å; H154-H158 AromaticContact NE2-CD2 3.68Å; H154-H158 AromaticContact NE2-NE2 3.28Å; H154-H158 PolarHBondContact NE2-NE2 3.36Å; H154-H158 PolarHBondContact O-N 2.7Å; R155-H158 WeakPolarHBondContact O-CA 3.35Å; R155-H158 WeakPolarHBondContact O-CB 3.47Å; R155-H158 PolarHBondContact O-N 2.95Å; K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 3.32Å; H158-D160 PolarHBondContact O-N 3.36Å; H158-A161 CarbonylContact O-C 3.5Å; H158-A161 WeakPolarHBondContact O-CA 3.23Å; H158-A161 WeakPolarHBondContact O-CB 3.48Å; H158-A161 PolarHBondContact O-N 3.45Å; H158-A161 VanDerWaalsContact O-N 3.1Å; H158-V162 WeakPolarHBondContact O-CG2 3.47Å; H158-V162 PolarHBondContact O-N 3.06Å
159	M	62.9	Low	61.4	Low	85 Å²	85	87.7 Å²	87.7	42%	0.419	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-42.6	178	-63.2	-73.9	115.3	0	0	112.2	R155 K156 A161 V162 E163	R155-M159 WeakPolarHBondContact O-CG 3.48Å; R155-M159 PolarHBondContact O-N 3.4Å; K156-M159 PolarHBondContact O-N 3.1Å; M159-A161 PolarHBondContact O-N 2.91Å; M159-V162 CarbonylContact O-C 3.58Å; M159-V162 PolarHBondContact O-N 3.37Å; M159-E163 PolarHBondContact O-N 3.44Å
160	D	59.3	Low	58.9	Low	65 Å²	65	90.3 Å²	90.3	35%	0.348	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-24.6	176.1	-63.3	-23.4	0	0	0	111.5	K156 H158 Q164	K156-D160 WeakPolarHBondContact O-CB 3.32Å; K156-D160 PolarHBondContact O-N 2.74Å; H158-D160 PolarHBondContact O-N 3.36Å; D160-Q164 VanDerWaalsContact O-CD 3.32Å; D160-Q164 VanDerWaalsContact O-CG 3.23Å; D160-Q164 WeakPolarHBondContact O-CG 3.22Å; D160-Q164 PolarHBondContact O-NE2 3.23Å; D160-Q164 VanDerWaalsContact O-NE2 3.11Å
161	A	56.7	Low	56.4	Low	57 Å²	57	93.2 Å²	93.2	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-79.9	-31.3	171.5	0	0	0	0	0	112	R157 H158 M159 S165	R157-A161 WeakPolarHBondContact O-CB 3.26Å; R157-A161 PolarHBondContact O-N 3.47Å; H158-A161 CarbonylContact O-C 3.5Å; H158-A161 WeakPolarHBondContact O-CA 3.23Å; H158-A161 WeakPolarHBondContact O-CB 3.48Å; H158-A161 PolarHBondContact O-N 3.45Å; H158-A161 VanDerWaalsContact O-N 3.1Å; M159-A161 PolarHBondContact O-N 2.91Å; A161-S165 PolarHBondContact O-N 3.48Å
162	V	51.3	Low	53.6	Low	48 Å²	48	96.5 Å²	96.5	29%	0.291	53%	0.529	S	S	.	.	H	α-helix	trans	-77.6	-39.1	176.1	174.2	0	0	0	0	111.9	H158 M159 Q164 S165 I166	H158-V162 WeakPolarHBondContact O-CG2 3.47Å; H158-V162 PolarHBondContact O-N 3.06Å; M159-V162 CarbonylContact O-C 3.58Å; M159-V162 PolarHBondContact O-N 3.37Å; V162-Q164 PolarHBondContact O-N 2.84Å; V162-S165 VanDerWaalsContact CA-OG 3.27Å; V162-S165 WeakPolarHBondContact CA-OG 3.22Å; V162-S165 CarbonylContact O-C 3.5Å; V162-S165 WeakPolarHBondContact O-CA 3.4Å; V162-S165 PolarHBondContact O-N 3.26Å; V162-S165 PolarHBondContact O-OG 3.49Å; V162-I166 HydrophobicContact CG1-CD1 3.86Å; V162-I166 HydrophobicContact CG1-CG1 4.23Å; V162-I166 WeakPolarHBondContact O-CG1 3.15Å; V162-I166 PolarHBondContact O-N 3.22Å
163	E	42.1	Very low	50.8	Low	137 Å²	137	98.6 Å²	98.6	64%	0.64	55%	0.546	S	S	*	.	H	α-helix	trans	-62.7	-30.1	172.4	-77.3	-173.9	168.9	0	0	111.3	M159 S165 I166 S167	M159-E163 PolarHBondContact O-N 3.44Å; E163-S165 VanDerWaalsContact C-N 3.27Å; E163-S165 PolarHBondContact O-N 2.07Å; E163-I166 PolarHBondContact O-N 2.85Å; E163-S167 PolarHBondContact O-N 3.48Å
164	Q	46.2	Very low	48.4	Very low	142 Å²	142	100 Å²	100	66%	0.664	56%	0.556	S	S	*	*	H	α-helix	trans	-72	-18.5	170.6	-75.1	171.9	38.6	0	0	113.6	D160 V162 S167 N168	D160-Q164 VanDerWaalsContact O-CD 3.32Å; D160-Q164 VanDerWaalsContact O-CG 3.23Å; D160-Q164 WeakPolarHBondContact O-CG 3.22Å; D160-Q164 PolarHBondContact O-NE2 3.23Å; D160-Q164 VanDerWaalsContact O-NE2 3.11Å; V162-Q164 PolarHBondContact O-N 2.84Å; Q164-S167 PolarHBondContact O-OG 2.96Å; Q164-N168 PolarHBondContact O-ND2 2.74Å
165	S	44.7	Very low	45.6	Very low	65 Å²	65	104.4 Å²	104.4	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-91.5	-30.4	170.5	53.6	0	0	0	0	113.3	A161 V162 E163 S167 N168	A161-S165 PolarHBondContact O-N 3.48Å; V162-S165 VanDerWaalsContact CA-OG 3.27Å; V162-S165 WeakPolarHBondContact CA-OG 3.22Å; V162-S165 CarbonylContact O-C 3.5Å; V162-S165 WeakPolarHBondContact O-CA 3.4Å; V162-S165 PolarHBondContact O-N 3.26Å; V162-S165 PolarHBondContact O-OG 3.49Å; E163-S165 VanDerWaalsContact C-N 3.27Å; E163-S165 PolarHBondContact O-N 2.07Å; S165-S167 VanDerWaalsContact C-N 3.31Å; S165-S167 PolarHBondContact O-N 3.47Å; S165-N168 CarbonylContact O-C 3.3Å; S165-N168 VanDerWaalsContact O-C 3.32Å; S165-N168 PolarHBondContact O-N 3.02Å
166	I	36	Very low	43	Very low	127 Å²	127	103.2 Å²	103.2	65%	0.651	60%	0.6	S	S	*	*	H	α-helix	trans	-71.9	-26.1	179	-64.9	167.9	0	0	0	111.6	V162 E163 N168	V162-I166 HydrophobicContact CG1-CD1 3.86Å; V162-I166 HydrophobicContact CG1-CG1 4.23Å; V162-I166 WeakPolarHBondContact O-CG1 3.15Å; V162-I166 PolarHBondContact O-N 3.22Å; E163-I166 PolarHBondContact O-N 2.85Å; I166-N168 PolarHBondContact O-N 3.01Å; I166-N168 VanDerWaalsContact O-N 3.16Å
167	S	41.2	Very low	40.4	Very low	88 Å²	88	105.9 Å²	105.9	62%	0.615	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-3.4	168.8	66.2	0	0	0	0	113.7	E163 Q164 S165	E163-S167 PolarHBondContact O-N 3.48Å; Q164-S167 PolarHBondContact O-OG 2.96Å; S165-S167 VanDerWaalsContact C-N 3.31Å; S165-S167 PolarHBondContact O-N 3.47Å
168	N	32.3	Very low	37.8	Very low	117 Å²	117	102 Å²	102	63%	0.626	62%	0.623	S	S	*	*	S	Bend	trans	-131.7	85.1	176	-55.8	-43.9	0	0	0	109.5	Q164 S165 I166	Q164-N168 PolarHBondContact O-ND2 2.74Å; S165-N168 CarbonylContact O-C 3.3Å; S165-N168 VanDerWaalsContact O-C 3.32Å; S165-N168 PolarHBondContact O-N 3.02Å; I166-N168 PolarHBondContact O-N 3.01Å; I166-N168 VanDerWaalsContact O-N 3.16Å
169	G	26.8	Very low	35.2	Very low	64 Å²	64	104.2 Å²	104.2	66%	0.66	65%	0.648	S	S	*	*			trans	-60.4	144.8	148.1	0	0	0	0	0	108.1
170	D	24.2	Very low	33.4	Very low	157 Å²	157	107.3 Å²	107.3	84%	0.84	67%	0.672	S	S	*	*			cis	-150.4	166.2	24.9	-82.3	-48.7	0	0	0	111.7
171	S	27.4	Very low	31.8	Very low	112 Å²	112	109 Å²	109	78%	0.783	69%	0.689	S	S	*	*			trans	89.9	97.4	156.9	-50.4	0	0	0	0	118.1
172	A	24	Very low	30.1	Very low	97 Å²	97	113.1 Å²	113.1	80%	0.802	70%	0.702	S	S	*	*				51.9	140.3	128.9	0	0	0	0	0	118.6
173	M	22.1	Very low	28.8	Very low	169 Å²	169	118 Å²	118	83%	0.833	73%	0.727	S	S	*	*			cis	-176.9	160.5	1.6	-113	-72.5	-172.6	0	0	103
174	S	25.2	Very low	27.8	Very low	96 Å²	96	115.1 Å²	115.1	67%	0.671	73%	0.733	S	S	*	*			trans	74.3	106.9	155	-55.6	0	0	0	0	117.5
175	S	23.8	Very low	26.6	Very low	109 Å²	109	114 Å²	114	76%	0.762	74%	0.741	S	S	*	*				87.7	138.8	77.1	-67.4	0	0	0	0	112.8
176	S	25	Very low	25.8	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	76%	0.76	S	S	*	*			trans	89.3	96	164.9	-44.6	0	0	0	0	114.8
177	I	22.7	Very low	25.1	Very low	166 Å²	166	117.7 Å²	117.7	85%	0.851	77%	0.766	S	S	*	*				68.4	134.7	66.5	-58.2	175	0	0	0	113
178	A	22.7	Very low	24.1	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	78%	0.777	S	S	*	*			trans	79	138.7	167.1	0	0	0	0	0	116.5
179	A	23.5	Very low	23.6	Very low	86 Å²	86	122.8 Å²	122.8	71%	0.711	79%	0.785	S	S	*	*			cis	-164	136.5	-9.4	0	0	0	0	0	105.5
180	V	24.2	Very low	23.4	Very low	150 Å²	150	128.4 Å²	128.4	91%	0.909	79%	0.794	S	S	*	*			trans	-135.7	105.8	158.2	-178.7	0	0	0	0	108.2
181	S	25.1	Very low	23.2	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	80%	0.795	S	S	*	*			trans	-60	129.6	173.4	-60.8	0	0	0	0	112.2
182	L	21.6	Very low	23	Very low	143 Å²	143	133.4 Å²	133.4	75%	0.749	80%	0.797	S	S	*	*				30.7	130.3	121.4	-67.6	168.9	0	0	0	120.5
183	N	23.6	Very low	23.2	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	80%	0.802	S	S	*	*			trans	83.2	127.8	138.2	-62.9	-16.3	0	0	0	119.2
184	G	22.5	Very low	23.4	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	79%	0.791	S	S	*	*			trans	163.4	64.4	179.2	0	0	0	0	0	110.3
185	S	20.9	Very low	23.6	Very low	119 Å²	119	132.6 Å²	132.6	83%	0.832	80%	0.797	S	S	*	*			trans	-62.9	134	155.7	52.7	0	0	0	0	108.3
186	C	26.5	Very low	24	Very low	125 Å²	125	133.4 Å²	133.4	85%	0.845	80%	0.803	S	S	*	*			trans	-145.7	132.2	156.1	54.5	0	0	0	0	110.9
187	D	21.4	Very low	24	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	81%	0.811	S	S	*	*			trans	-68.4	166.6	-176.7	-87.8	-57.4	0	0	0	114.3
188	E	20.5	Very low	24.1	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	81%	0.805	S	S	*	*			trans	-28.8	125.2	156.6	-57.7	-173.1	124	0	0	113.9
189	T	22.5	Very low	24.3	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	81%	0.813	S	S	*	*			trans	-164.8	146.7	132.2	28	0	0	0	0	110.4
190	Q	21	Very low	24.4	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	81%	0.812	S	S	*	*			trans	-58.8	134.2	-173.9	-61.9	153.5	-14.2	0	0	112.2
191	F	20.7	Very low	24.8	Very low	194 Å²	194	146.4 Å²	146.4	85%	0.851	81%	0.813	S	S	*	*			trans	-139.2	129	156.8	-97.2	-80.8	0	0	0	113
192	H	24.2	Very low	25	Very low	181 Å²	181	145.2 Å²	145.2	84%	0.838	82%	0.816	S	S	*	*			trans	-47.5	138	171.2	-85.5	-110.5	0	0	0	113.1	A194	H192-A194 PolarHBondContact O-N 2.97Å; H192-A194 VanDerWaalsContact O-N 3.14Å
193	V	27.7	Very low	25.3	Very low	147 Å²	147	150.6 Å²	150.6	89%	0.891	83%	0.827	S	S	*	*			trans	-81.6	89.3	168.3	-178.2	0	0	0	0	108.6
194	A	26.5	Very low	25.6	Very low	74 Å²	74	146.8 Å²	146.8	61%	0.612	82%	0.823	S	S	*	*			trans	-76.8	147.5	157.5	0	0	0	0	0	109.7	H192 S196	H192-A194 PolarHBondContact O-N 2.97Å; H192-A194 VanDerWaalsContact O-N 3.14Å; A194-S196 PolarHBondContact O-N 3.36Å
195	P	29.7	Very low	26.2	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	83%	0.825	S	S	*	*			trans	-81.5	120	-162.3	30.6	-32.5	0	0	0	112.5	R197	P195-R197 PolarHBondContact O-N 3.36Å
196	S	30.6	Very low	26.9	Very low	127 Å²	127	147.4 Å²	147.4	89%	0.888	82%	0.816	S	S	*	*			trans	-71.9	98.7	177.2	-51.3	0	0	0	0	111.8	A194	A194-S196 PolarHBondContact O-N 3.36Å
197	R	26.3	Very low	27.6	Very low	242 Å²	242	148.5 Å²	148.5	91%	0.913	81%	0.813	S	S	*	*			trans	-56.6	144.1	147.2	-78.8	177	164.3	175	-4.7	109.1	P195	P195-R197 PolarHBondContact O-N 3.36Å
198	G	25	Very low	28.5	Very low	70 Å²	70	149 Å²	149	72%	0.722	82%	0.816	S	S	*	*			trans	-64.4	150.4	-178.7	0	0	0	0	0	114.2
199	R	26	Very low	29.6	Very low	251 Å²	251	151.8 Å²	151.8	95%	0.947	82%	0.819	S	S	*	*			trans	175.2	127.8	149.8	-96.1	164.6	-173	-127.7	3.7	103.7
200	G	26.4	Very low	31	Very low	67 Å²	67	147.8 Å²	147.8	69%	0.691	80%	0.804	S	S	*	*				80.8	101.6	52.5	0	0	0	0	0	108.9
201	R	31.6	Very low	33	Very low	246 Å²	246	147.2 Å²	147.2	93%	0.928	80%	0.798	S	S	*	*			trans	62.7	99.7	152.1	-57.5	178	-179.6	-125.9	3.3	118.6
202	G	29	Very low	35.7	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	79%	0.786	S	S	*	*				-102.5	122.2	125.5	0	0	0	0	0	105.9
203	R	28.9	Very low	38.5	Very low	257 Å²	257	140.9 Å²	140.9	97%	0.97	76%	0.761	S	S	*	*				48.8	73	53.8	-79.7	-164.6	-173	-127.3	4	111.9
204	G	29.6	Very low	41	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	75%	0.745	S	S	*	*			trans	-132.2	112.9	152.9	0	0	0	0	0	107
205	S	35.1	Very low	43.7	Very low	117 Å²	117	136 Å²	136	82%	0.818	72%	0.716	S	S	*	*			trans	4.7	117.9	162.8	-120	0	0	0	0	119.4
206	S	36.6	Very low	46.2	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	72%	0.718	S	S	*	*				-0.2	131.4	107.9	-62.8	0	0	0	0	114.9
207	D	40.7	Very low	48.5	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	70%	0.701	S	S	*	*			cis	-156.2	111.3	17	-73.8	-50.4	0	0	0	108.5
208	D	40.8	Very low	51.2	Low	155 Å²	155	131.6 Å²	131.6	83%	0.829	68%	0.675	S	S	*	*			trans	-135.1	120.5	140.3	-174.1	23.6	0	0	0	104.4	G210	D208-G210 PolarHBondContact O-N 3.31Å
209	R	42.1	Very low	53.9	Low	239 Å²	239	129.9 Å²	129.9	90%	0.902	66%	0.658	S	S	*	*			trans	-74.4	61.5	-178.3	-74	-174.6	-70.9	-125.6	-1.7	108.8	K211	R209-K211 PolarHBondContact O-N 2.84Å; R209-K211 VanDerWaalsContact O-N 3.09Å
210	G	52.8	Low	56.6	Low	48 Å²	48	123.8 Å²	123.8	50%	0.495	64%	0.638	S	S	.	*			trans	-60.4	111.6	171.3	0	0	0	0	0	108.3	D208 R212	D208-G210 PolarHBondContact O-N 3.31Å; G210-R212 WeakPolarHBondContact O-CG 3.05Å; G210-R212 PolarHBondContact O-N 3.28Å
211	K	61.7	Low	59.3	Low	168 Å²	168	124.8 Å²	124.8	73%	0.73	63%	0.626	S	S	*	*			trans	-48.1	103.8	175.7	-168.8	169.3	-173.3	170	0	109.2	R209 W213	R209-K211 PolarHBondContact O-N 2.84Å; R209-K211 VanDerWaalsContact O-N 3.09Å; K211-W213 PolarHBondContact O-NE1 3.11Å; K211-W213 VanDerWaalsContact O-NE1 3.14Å
212	R	77.5	Confident	61.8	Low	159 Å²	159	115.1 Å²	115.1	60%	0.6	59%	0.591	S	S	*	*			trans	-74.2	142.2	178	-63.4	-178.6	72.6	-178.7	3.2	108.4	G210 M221	G210-R212 WeakPolarHBondContact O-CG 3.05Å; G210-R212 PolarHBondContact O-N 3.28Å; R212-M221 HydrophobicContact CB-CE 3.53Å; R212-M221 HydrophobicContact CB-SD 4.14Å; R212-M221 HydrophobicContact CG-CE 4.25Å
213	W	82.9	Confident	64.4	Low	83 Å²	83	114.9 Å²	114.9	31%	0.314	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	110.9	-173.9	-64.3	84.6	0	0	0	109.5	K211 F222 K225 M228	K211-W213 PolarHBondContact O-NE1 3.11Å; K211-W213 VanDerWaalsContact O-NE1 3.14Å; W213-F222 PolarHBondContact N-O 3.5Å; W213-F222 PolarHBondContact O-N 3.21Å; W213-K225 HydrophobicContact CD2-CB 3.7Å; W213-K225 HydrophobicContact CD2-CG 3.9Å; W213-K225 HydrophobicContact CE3-CB 4.08Å; W213-K225 HydrophobicContact CE3-CD 4.12Å; W213-K225 HydrophobicContact CE3-CG 3.71Å; W213-K225 HydrophobicContact CG-CB 4.1Å; W213-K225 HydrophobicContact CH2-CB 4.42Å; W213-K225 HydrophobicContact CH2-CD 3.69Å; W213-K225 HydrophobicContact CH2-CG 4.16Å; W213-K225 HydrophobicContact CZ2-CB 4.08Å; W213-K225 HydrophobicContact CZ2-CD 4.11Å; W213-K225 HydrophobicContact CZ2-CG 4.32Å; W213-K225 HydrophobicContact CZ3-CB 4.42Å; W213-K225 HydrophobicContact CZ3-CD 3.7Å; W213-K225 HydrophobicContact CZ3-CG 3.85Å; W213-M228 HydrophobicContact CB-CB 3.94Å; W213-M228 HydrophobicContact CB-CE 3.98Å; W213-M228 HydrophobicContact CB-CG 3.92Å; W213-M228 HydrophobicContact CD2-CE 4.3Å; W213-M228 HydrophobicContact CE3-CE 3.75Å; W213-M228 HydrophobicContact CG-CE 4.42Å
214	E	80.9	Confident	67.1	Low	119 Å²	119	109.7 Å²	109.7	56%	0.556	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.5	133.7	179.2	-175.5	179	162.8	0	0	111.1	R216 M221	E214-R216 PolarHBondContact O-N 3.03Å; E214-M221 HydrophobicContact CB-SD 3.91Å; E214-M221 HydrophobicContact CG-SD 4.39Å
215	C	82.9	Confident	69.6	Low	0 Å²	0	111.4 Å²	111.4	0%	0	55%	0.554	C	S	.	*			trans	-72.9	123.3	170.1	175.2	0	0	0	0	110.9	F217 C218 G219 K220 F222 H231 E232	C215-F217 PolarHBondContact O-N 3.29Å; C215-F217 VanDerWaalsContact O-N 3.07Å; C215-C218 PolarHBondContact O-N 3.35Å; C215-C218 VanDerWaalsContact SG-SG 3.65Å; C215-G219 WeakPolarHBondContact O-CA 3.37Å; C215-G219 PolarHBondContact O-N 3.41Å; C215-K220 PolarHBondContact N-O 2.82Å; C215-F222 HydrophobicContact CB-CE2 4.12Å; C215-H231 VanDerWaalsContact SG-CD2 3.56Å; C215-E232 HydrophobicContact CB-CG 4.48Å
216	R	81.8	Confident	71.9	Confident	220 Å²	220	112.5 Å²	112.5	83%	0.83	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22	-176.6	-64.8	175.8	170.4	-173.5	-4.3	115.3	E214 E232	E214-R216 PolarHBondContact O-N 3.03Å; R216-E232 PolarHBondContact N-OE1 3.48Å
217	F	79.1	Confident	74.2	Confident	125 Å²	125	110.8 Å²	110.8	55%	0.548	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-19.9	-173.8	-60.9	-76.5	0	0	0	114.4	C215 E232 H235 T236	C215-F217 PolarHBondContact O-N 3.29Å; C215-F217 VanDerWaalsContact O-N 3.07Å; F217-E232 HydrophobicContact CD2-CG 4.49Å; F217-H235 HydrophobicContact CB-CB 3.88Å; F217-H235 VanDerWaalsContact CB-CG 3.45Å; F217-H235 HydrophobicContact CD1-CB 4.46Å; F217-H235 HydrophobicContact CD2-CB 3.64Å; F217-H235 HydrophobicContact CE2-CB 4.28Å; F217-H235 HydrophobicContact CG-CB 3.74Å; F217-H235 AromaticContact CG-CG 3.9Å; F217-T236 HydrophobicContact CE2-CG2 4.08Å; F217-T236 HydrophobicContact CZ-CG2 4.34Å
218	C	83.6	Confident	76.4	Confident	54 Å²	54	104.3 Å²	104.3	37%	0.365	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	2.1	-176.8	71.9	0	0	0	0	115.5	C215 K220 H231 H235	C215-C218 PolarHBondContact O-N 3.35Å; C215-C218 VanDerWaalsContact SG-SG 3.65Å; C218-K220 PolarHBondContact O-N 2.9Å; C218-K220 VanDerWaalsContact O-N 3.13Å; C218-H231 PolarHBondContact SG-NE2 2.91Å; C218-H235 PolarHBondContact SG-NE2 3.1Å; C218-H235 VanDerWaalsContact SG-NE2 3.41Å
219	G	81.6	Confident	78.6	Confident	35 Å²	35	99.8 Å²	99.8	36%	0.361	47%	0.468	S	S	.	.			trans	68.9	7.1	177.8	0	0	0	0	0	115.1	C215 M221	C215-G219 WeakPolarHBondContact O-CA 3.37Å; C215-G219 PolarHBondContact O-N 3.41Å; G219-M221 PolarHBondContact O-N 3.02Å
220	K	83.8	Confident	80.6	Confident	122 Å²	122	88.6 Å²	88.6	53%	0.53	43%	0.426	S	S	.	.			trans	-66.9	128.2	178	-77.8	179.5	-175.8	170.4	0	110.7	C215 C218 F222	C215-K220 PolarHBondContact N-O 2.82Å; C218-K220 PolarHBondContact O-N 2.9Å; C218-K220 VanDerWaalsContact O-N 3.13Å; K220-F222 HydrophobicContact CB-CE2 3.7Å; K220-F222 HydrophobicContact CB-CZ 4.08Å; K220-F222 VanDerWaalsContact O-CD2 3.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.32Å; K220-F222 WeakPolarHBondContact O-CE2 3.47Å
221	M	81.3	Confident	82.1	Confident	89 Å²	89	87.7 Å²	87.7	44%	0.438	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122	-179.5	-69.5	-78.7	-93	0	0	111.1	R212 E214 G219	R212-M221 HydrophobicContact CB-CE 3.53Å; R212-M221 HydrophobicContact CB-SD 4.14Å; R212-M221 HydrophobicContact CG-CE 4.25Å; E214-M221 HydrophobicContact CB-SD 3.91Å; E214-M221 HydrophobicContact CG-SD 4.39Å; G219-M221 PolarHBondContact O-N 3.02Å
222	F	84.5	Confident	83.2	Confident	42 Å²	42	81.3 Å²	81.3	18%	0.184	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.7	176.1	-63.1	-92.7	0	0	0	110.7	W213 C215 K220 F224 P227 M228 H231	W213-F222 PolarHBondContact N-O 3.5Å; W213-F222 PolarHBondContact O-N 3.21Å; C215-F222 HydrophobicContact CB-CE2 4.12Å; K220-F222 HydrophobicContact CB-CE2 3.7Å; K220-F222 HydrophobicContact CB-CZ 4.08Å; K220-F222 VanDerWaalsContact O-CD2 3.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.32Å; K220-F222 WeakPolarHBondContact O-CE2 3.47Å; F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 2.93Å; F222-P227 HydrophobicContact CD1-CB 3.9Å; F222-M228 HydrophobicContact CB-CB 3.84Å; F222-M228 HydrophobicContact CD2-CB 3.59Å; F222-M228 HydrophobicContact CD2-CG 3.69Å; F222-M228 HydrophobicContact CE2-CB 4.4Å; F222-M228 HydrophobicContact CE2-CG 4.35Å; F222-M228 HydrophobicContact CG-CB 3.77Å; F222-M228 HydrophobicContact CG-CG 4.36Å; F222-H231 HydrophobicContact CE1-CB 3.9Å; F222-H231 HydrophobicContact CE2-CB 3.95Å; F222-H231 AromaticContact CE2-CD2 3.48Å; F222-H231 VanDerWaalsContact CE2-CD2 3.48Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.47Å; F222-H231 AromaticContact CE2-CG 3.79Å; F222-H231 HydrophobicContact CZ-CB 3.38Å; F222-H231 AromaticContact CZ-CD2 3.39Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.39Å; F222-H231 AromaticContact CZ-CG 3.24Å; F222-H231 AromaticContact CZ-ND1 3.92Å
223	A	85.2	Confident	83.7	Confident	71 Å²	71	75.9 Å²	75.9	59%	0.587	36%	0.361	S	S	*	.	S	Bend	trans	-66.9	-29.6	174.2	0	0	0	0	0	112.4
224	F	83.8	Confident	83.5	Confident	147 Å²	147	76.7 Å²	76.7	65%	0.645	38%	0.375	S	S	*	.	S	Bend	trans	-133.8	152.1	-175.3	-55.3	-74.8	0	0	0	111.8	F222 P227 M228	F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 2.93Å; F224-P227 HydrophobicContact CB-CG 4.14Å; F224-P227 WeakPolarHBondContact O-CD 3.37Å; F224-M228 PolarHBondContact O-N 2.97Å
225	K	82.4	Confident	83.6	Confident	109 Å²	109	75 Å²	75	47%	0.474	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-43.4	-179.5	-166.6	-179.4	-174.5	179.7	0	113.4	W213 M228 I229	W213-K225 HydrophobicContact CD2-CB 3.7Å; W213-K225 HydrophobicContact CD2-CG 3.9Å; W213-K225 HydrophobicContact CE3-CB 4.08Å; W213-K225 HydrophobicContact CE3-CD 4.12Å; W213-K225 HydrophobicContact CE3-CG 3.71Å; W213-K225 HydrophobicContact CG-CB 4.1Å; W213-K225 HydrophobicContact CH2-CB 4.42Å; W213-K225 HydrophobicContact CH2-CD 3.69Å; W213-K225 HydrophobicContact CH2-CG 4.16Å; W213-K225 HydrophobicContact CZ2-CB 4.08Å; W213-K225 HydrophobicContact CZ2-CD 4.11Å; W213-K225 HydrophobicContact CZ2-CG 4.32Å; W213-K225 HydrophobicContact CZ3-CB 4.42Å; W213-K225 HydrophobicContact CZ3-CD 3.7Å; W213-K225 HydrophobicContact CZ3-CG 3.85Å; K225-M228 HydrophobicContact CG-CE 3.78Å; K225-M228 WeakPolarHBondContact O-CB 3.46Å; K225-M228 PolarHBondContact O-N 3.35Å; K225-M228 VanDerWaalsContact O-N 3.15Å; K225-I229 HydrophobicContact CD-CD1 4.3Å; K225-I229 HydrophobicContact CG-CD1 3.87Å; K225-I229 HydrophobicContact CG-CG1 4.27Å; K225-I229 WeakPolarHBondContact O-CG1 3.18Å; K225-I229 PolarHBondContact O-N 2.92Å
226	Y	84.9	Confident	83.6	Confident	140 Å²	140	78.2 Å²	78.2	55%	0.549	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-47.9	-176.4	176.3	-90.4	0	0	0	113.4	M228 I229 A230	Y226-M228 PolarHBondContact O-N 3.44Å; Y226-I229 PolarHBondContact O-N 2.81Å; Y226-A230 HydrophobicContact CE1-CB 4.42Å; Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.11Å; Y226-A230 PolarHBondContact O-N 3.37Å
227	P	84.9	Confident	83.5	Confident	54 Å²	54	70.1 Å²	70.1	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-56.3	-36.5	171	-27.7	35.3	0	0	0	113.8	F222 F224 H231	F222-P227 HydrophobicContact CD1-CB 3.9Å; F224-P227 HydrophobicContact CB-CG 4.14Å; F224-P227 WeakPolarHBondContact O-CD 3.37Å; P227-H231 WeakPolarHBondContact O-CB 3.32Å; P227-H231 PolarHBondContact O-N 2.78Å
228	M	86	Confident	83.5	Confident	11 Å²	11	69.5 Å²	69.5	5%	0.054	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-50.6	175.9	-175.3	-91.4	-50.7	0	0	111.6	W213 F222 F224 K225 Y226 A230 H231 E232	W213-M228 HydrophobicContact CB-CB 3.94Å; W213-M228 HydrophobicContact CB-CE 3.98Å; W213-M228 HydrophobicContact CB-CG 3.92Å; W213-M228 HydrophobicContact CD2-CE 4.3Å; W213-M228 HydrophobicContact CE3-CE 3.75Å; W213-M228 HydrophobicContact CG-CE 4.42Å; F222-M228 HydrophobicContact CB-CB 3.84Å; F222-M228 HydrophobicContact CD2-CB 3.59Å; F222-M228 HydrophobicContact CD2-CG 3.69Å; F222-M228 HydrophobicContact CE2-CB 4.4Å; F222-M228 HydrophobicContact CE2-CG 4.35Å; F222-M228 HydrophobicContact CG-CB 3.77Å; F222-M228 HydrophobicContact CG-CG 4.36Å; F224-M228 PolarHBondContact O-N 2.97Å; K225-M228 HydrophobicContact CG-CE 3.78Å; K225-M228 WeakPolarHBondContact O-CB 3.46Å; K225-M228 PolarHBondContact O-N 3.35Å; K225-M228 VanDerWaalsContact O-N 3.15Å; Y226-M228 PolarHBondContact O-N 3.44Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 3.31Å; M228-H231 CarbonylContact O-C 3.51Å; M228-H231 WeakPolarHBondContact O-CA 3.39Å; M228-H231 WeakPolarHBondContact O-CB 3.37Å; M228-H231 PolarHBondContact O-N 2.87Å; M228-E232 WeakPolarHBondContact O-CG 3.23Å; M228-E232 PolarHBondContact O-N 3.37Å; M228-E232 VanDerWaalsContact SD-CD 3.6Å; M228-E232 HydrophobicContact SD-CG 4.17Å
229	I	86.1	Confident	83.7	Confident	61 Å²	61	73.1 Å²	73.1	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-60.1	-44.3	174.7	-64.9	171.9	0	0	0	110.9	K225 Y226 H231 E232 R233	K225-I229 HydrophobicContact CD-CD1 4.3Å; K225-I229 HydrophobicContact CG-CD1 3.87Å; K225-I229 HydrophobicContact CG-CG1 4.27Å; K225-I229 WeakPolarHBondContact O-CG1 3.18Å; K225-I229 PolarHBondContact O-N 2.92Å; Y226-I229 PolarHBondContact O-N 2.81Å; I229-H231 PolarHBondContact O-N 3.26Å; I229-E232 PolarHBondContact O-N 2.9Å; I229-R233 PolarHBondContact O-N 3.03Å
230	A	85.1	Confident	83.8	Confident	3 Å²	3	74.6 Å²	74.6	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-26.7	177.5	0	0	0	0	0	112.3	Y226 M228 Q252	Y226-A230 HydrophobicContact CE1-CB 4.42Å; Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.11Å; Y226-A230 PolarHBondContact O-N 3.37Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 3.31Å; A230-Q252 HydrophobicContact CB-CG 4.49Å
231	H	83.3	Confident	84	Confident	30 Å²	30	71.3 Å²	71.3	14%	0.139	37%	0.366	C	S	.	.	H	α-helix	trans	-79.1	-38.2	172.1	173.4	70	0	0	0	112.4	C215 C218 F222 P227 M228 I229 R233 V234 H235	C215-H231 VanDerWaalsContact SG-CD2 3.56Å; C218-H231 PolarHBondContact SG-NE2 2.91Å; F222-H231 HydrophobicContact CE1-CB 3.9Å; F222-H231 HydrophobicContact CE2-CB 3.95Å; F222-H231 AromaticContact CE2-CD2 3.48Å; F222-H231 VanDerWaalsContact CE2-CD2 3.48Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.47Å; F222-H231 AromaticContact CE2-CG 3.79Å; F222-H231 HydrophobicContact CZ-CB 3.38Å; F222-H231 AromaticContact CZ-CD2 3.39Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.39Å; F222-H231 AromaticContact CZ-CG 3.24Å; F222-H231 AromaticContact CZ-ND1 3.92Å; P227-H231 WeakPolarHBondContact O-CB 3.32Å; P227-H231 PolarHBondContact O-N 2.78Å; M228-H231 CarbonylContact O-C 3.51Å; M228-H231 WeakPolarHBondContact O-CA 3.39Å; M228-H231 WeakPolarHBondContact O-CB 3.37Å; M228-H231 PolarHBondContact O-N 2.87Å; I229-H231 PolarHBondContact O-N 3.26Å; H231-R233 PolarHBondContact O-N 2.98Å; H231-R233 VanDerWaalsContact O-N 3.16Å; H231-V234 WeakPolarHBondContact O-CA 3.33Å; H231-V234 WeakPolarHBondContact O-CB 3.4Å; H231-V234 VanDerWaalsContact O-CG2 3.29Å; H231-V234 WeakPolarHBondContact O-CG2 3.41Å; H231-V234 PolarHBondContact O-N 3Å; H231-H235 AromaticContact NE2-NE2 3.59Å
232	E	85.2	Confident	84	Confident	33 Å²	33	72.4 Å²	72.4	15%	0.154	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-30.2	174.2	-75	-176.8	153.2	0	0	111.9	C215 R216 F217 M228 I229 V234 H235 T236	C215-E232 HydrophobicContact CB-CG 4.48Å; R216-E232 PolarHBondContact N-OE1 3.48Å; F217-E232 HydrophobicContact CD2-CG 4.49Å; M228-E232 WeakPolarHBondContact O-CG 3.23Å; M228-E232 PolarHBondContact O-N 3.37Å; M228-E232 VanDerWaalsContact SD-CD 3.6Å; M228-E232 HydrophobicContact SD-CG 4.17Å; I229-E232 PolarHBondContact O-N 2.9Å; E232-V234 PolarHBondContact O-N 3.47Å; E232-V234 VanDerWaalsContact O-N 3.11Å; E232-H235 WeakPolarHBondContact O-CA 3.36Å; E232-H235 WeakPolarHBondContact O-CB 3.41Å; E232-H235 PolarHBondContact O-N 3.48Å; E232-T236 PolarHBondContact O-N 3.44Å
233	R	87.8	Confident	84	Confident	45 Å²	45	70.7 Å²	70.7	17%	0.17	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-17.7	171.4	-64.2	175.6	-170.2	-174.9	-1.7	114.7	I229 H231 H235 T236 G237 E238 S251	I229-R233 PolarHBondContact O-N 3.03Å; H231-R233 PolarHBondContact O-N 2.98Å; H231-R233 VanDerWaalsContact O-N 3.16Å; R233-H235 VanDerWaalsContact C-N 3.32Å; R233-T236 WeakPolarHBondContact CA-OG1 3.5Å; R233-G237 WeakPolarHBondContact O-CA 3.49Å; R233-G237 PolarHBondContact O-N 3.28Å; R233-E238 HydrophobicContact CG-CB 4.32Å; R233-S251 WeakPolarHBondContact CD-O 3.49Å; R233-S251 PolarHBondContact NH1-O 3.38Å
234	V	80.5	Confident	83.9	Confident	101 Å²	101	73.9 Å²	73.9	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-70.7	-33.6	170.7	-178.4	0	0	0	0	110.5	H231 E232	H231-V234 WeakPolarHBondContact O-CA 3.33Å; H231-V234 WeakPolarHBondContact O-CB 3.4Å; H231-V234 VanDerWaalsContact O-CG2 3.29Å; H231-V234 WeakPolarHBondContact O-CG2 3.41Å; H231-V234 PolarHBondContact O-N 3Å; E232-V234 PolarHBondContact O-N 3.47Å; E232-V234 VanDerWaalsContact O-N 3.11Å
235	H	82.3	Confident	83.7	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.389	36%	0.36	S	S	.	.	H	α-helix	trans	-84.3	-44.9	177.2	-64.8	-76.1	0	0	0	112.1	F217 C218 H231 E232 R233 G237	F217-H235 HydrophobicContact CB-CB 3.88Å; F217-H235 VanDerWaalsContact CB-CG 3.45Å; F217-H235 HydrophobicContact CD1-CB 4.46Å; F217-H235 HydrophobicContact CD2-CB 3.64Å; F217-H235 HydrophobicContact CE2-CB 4.28Å; F217-H235 HydrophobicContact CG-CB 3.74Å; F217-H235 AromaticContact CG-CG 3.9Å; C218-H235 PolarHBondContact SG-NE2 3.1Å; C218-H235 VanDerWaalsContact SG-NE2 3.41Å; H231-H235 AromaticContact NE2-NE2 3.59Å; E232-H235 WeakPolarHBondContact O-CA 3.36Å; E232-H235 WeakPolarHBondContact O-CB 3.41Å; E232-H235 PolarHBondContact O-N 3.48Å; R233-H235 VanDerWaalsContact C-N 3.32Å; H235-G237 PolarHBondContact O-N 3.1Å
236	T	81.8	Confident	83.6	Confident	66 Å²	66	69.8 Å²	69.8	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-74.6	-16.9	179.9	67.3	0	0	0	0	112.9	F217 E232 R233 E238	F217-T236 HydrophobicContact CE2-CG2 4.08Å; F217-T236 HydrophobicContact CZ-CG2 4.34Å; E232-T236 PolarHBondContact O-N 3.44Å; R233-T236 WeakPolarHBondContact CA-OG1 3.5Å; T236-E238 PolarHBondContact O-N 2.91Å; T236-E238 WeakPolarHBondContact OG1-CG 3.39Å; T236-E238 PolarHBondContact OG1-N 2.75Å
237	G	80	Confident	83.5	Confident	50 Å²	50	69.9 Å²	69.9	52%	0.515	37%	0.365	S	S	.	.			trans	70.5	6.6	-176.6	0	0	0	0	0	113.8	R233 H235 R239	R233-G237 WeakPolarHBondContact O-CA 3.49Å; R233-G237 PolarHBondContact O-N 3.28Å; H235-G237 PolarHBondContact O-N 3.1Å; G237-R239 WeakPolarHBondContact O-CG 3.48Å; G237-R239 PolarHBondContact O-N 2.94Å
238	E	80	Confident	83.4	Confident	112 Å²	112	73.1 Å²	73.1	52%	0.523	37%	0.373	S	S	.	.			trans	-65.3	131	-178.1	-74.2	178.8	-174.2	0	0	112.1	R233 T236 S251	R233-E238 HydrophobicContact CG-CB 4.32Å; T236-E238 PolarHBondContact O-N 2.91Å; T236-E238 WeakPolarHBondContact OG1-CG 3.39Å; T236-E238 PolarHBondContact OG1-N 2.75Å; E238-S251 WeakPolarHBondContact O-CB 3.33Å
239	R	86.8	Confident	83.3	Confident	130 Å²	130	74.2 Å²	74.2	49%	0.491	38%	0.382	S	S	.	.			trans	-127.4	73.2	-179.6	-62.6	171	80.4	94.1	3.2	110.2	G237 F241 S249 F250	G237-R239 WeakPolarHBondContact O-CG 3.48Å; G237-R239 PolarHBondContact O-N 2.94Å; R239-F241 VanDerWaalsContact C-N 3.26Å; R239-F241 PolarHBondContact O-N 2.75Å; R239-S249 VanDerWaalsContact CB-OG 3.22Å; R239-S249 WeakPolarHBondContact CB-OG 3.13Å; R239-S249 PolarHBondContact NE-O 3.07Å; R239-S249 PolarHBondContact NE-OG 3.33Å; R239-S249 PolarHBondContact NH2-O 2.97Å; R239-S249 VanDerWaalsContact O-CB 3.32Å; R239-S249 WeakPolarHBondContact O-CB 3.27Å; R239-F250 CarbonylContact C-O 3.32Å; R239-F250 WeakPolarHBondContact CA-O 3.29Å
240	P	83.3	Confident	83.4	Confident	66 Å²	66	72.7 Å²	72.7	43%	0.429	37%	0.373	S	S	.	.			trans	-67.9	-24.3	-170.3	-21.5	34.8	0	0	0	114	I242	P240-I242 PolarHBondContact O-N 3.17Å
241	F	89.1	Confident	83.5	Confident	53 Å²	53	74 Å²	74	23%	0.232	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	96.1	-170.2	-56.5	-72.7	0	0	0	110.8	R239 S249 F250 S251 Q253 L256	R239-F241 VanDerWaalsContact C-N 3.26Å; R239-F241 PolarHBondContact O-N 2.75Å; F241-S249 CarbonylContact O-C 3.56Å; F241-S249 WeakPolarHBondContact O-CA 3.42Å; F241-F250 HydrophobicContact CB-CB 4.42Å; F241-F250 WeakPolarHBondContact CB-O 3.43Å; F241-F250 WeakPolarHBondContact CD2-O 3.39Å; F241-F250 PolarHBondContact N-O 3.26Å; F241-F250 PolarHBondContact O-N 3.14Å; F241-S251 WeakPolarHBondContact CE2-O 3.47Å; F241-Q253 HydrophobicContact CD1-CB 3.95Å; F241-Q253 HydrophobicContact CD1-CG 4.45Å; F241-Q253 HydrophobicContact CD2-CB 4.29Å; F241-Q253 HydrophobicContact CE1-CB 3.8Å; F241-Q253 HydrophobicContact CE1-CG 4.42Å; F241-Q253 HydrophobicContact CE2-CB 4.1Å; F241-Q253 VanDerWaalsContact CE2-N 3.29Å; F241-Q253 HydrophobicContact CG-CB 4.19Å; F241-Q253 HydrophobicContact CZ-CB 3.87Å; F241-L256 HydrophobicContact CB-CB 3.95Å; F241-L256 HydrophobicContact CB-CD2 3.85Å; F241-L256 HydrophobicContact CB-CG 4.49Å
242	I	81.6	Confident	83.7	Confident	113 Å²	113	75.9 Å²	75.9	58%	0.579	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.5	-178	-52.9	173.2	0	0	0	110.5	P240 K244 L256	P240-I242 PolarHBondContact O-N 3.17Å; I242-K244 PolarHBondContact O-N 3.41Å; I242-L256 WeakPolarHBondContact O-CD2 3.49Å
243	C	84.4	Confident	83.8	Confident	5 Å²	5	78 Å²	78	3%	0.034	40%	0.401	C	S	.	.			trans	-69.7	129.1	174.5	-174.3	0	0	0	0	111.9	Y245 C246 K248 L256 H259 H263	C243-Y245 PolarHBondContact O-N 3.02Å; C243-Y245 VanDerWaalsContact O-N 3.16Å; C243-Y245 PolarHBondContact SG-N 2.95Å; C243-Y245 VanDerWaalsContact SG-N 3.42Å; C243-C246 PolarHBondContact O-N 3.24Å; C243-K248 WeakPolarHBondContact CB-O 3.42Å; C243-K248 PolarHBondContact N-O 3.44Å; C243-L256 VanDerWaalsContact CA-CD1 3.42Å; C243-L256 HydrophobicContact CB-CD1 3.66Å; C243-H259 VanDerWaalsContact SG-CD2 3.57Å; C243-H263 VanDerWaalsContact SG-CD2 3.5Å
244	K	81.5	Confident	83.7	Confident	138 Å²	138	80.1 Å²	80.1	60%	0.6	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16	175.6	68.1	-166.8	167.1	-161	0	114.6	I242 E260	I242-K244 PolarHBondContact O-N 3.41Å; K244-E260 VanDerWaalsContact CE-OE1 3.32Å; K244-E260 WeakPolarHBondContact CE-OE1 3.39Å; K244-E260 WeakPolarHBondContact CE-OE2 3.34Å; K244-E260 WeakPolarHBondContact CG-OE1 3.43Å; K244-E260 IonicContact NZ-OE1 3.8Å; K244-E260 IonicContact NZ-OE2 3.17Å; K244-E260 PolarHBondContact NZ-OE2 3.36Å; K244-E260 VanDerWaalsContact NZ-OE2 3.17Å
245	Y	80.3	Confident	84.1	Confident	133 Å²	133	77.6 Å²	77.6	52%	0.522	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-10.7	-177.2	-57.5	-60.9	0	0	0	113.8	C243 H263	C243-Y245 PolarHBondContact O-N 3.02Å; C243-Y245 VanDerWaalsContact O-N 3.16Å; C243-Y245 PolarHBondContact SG-N 2.95Å; C243-Y245 VanDerWaalsContact SG-N 3.42Å; Y245-H263 HydrophobicContact CD2-CB 3.57Å; Y245-H263 AromaticContact CD2-CG 3.86Å; Y245-H263 HydrophobicContact CE2-CB 4.24Å; Y245-H263 HydrophobicContact CG-CB 4.1Å
246	C	81.4	Confident	84.4	Confident	38 Å²	38	74.1 Å²	74.1	26%	0.257	39%	0.39	S	S	.	.	S	Bend	trans	-155.1	168.3	176.2	76.1	0	0	0	0	112.2	C243 K248 H259 H263	C243-C246 PolarHBondContact O-N 3.24Å; C246-K248 PolarHBondContact O-N 3.31Å; C246-K248 VanDerWaalsContact SG-CB 3.57Å; C246-K248 PolarHBondContact SG-N 3.44Å; C246-H259 PolarHBondContact SG-NE2 2.86Å; C246-H263 PolarHBondContact SG-NE2 3.43Å
247	T	82.2	Confident	84.6	Confident	142 Å²	142	74.6 Å²	74.6	87%	0.871	39%	0.39	S	S	*	.	S	Bend	trans	-73.9	5.6	-178.3	56	0	0	0	0	114.6	S249	T247-S249 PolarHBondContact O-N 2.77Å
248	K	83.6	Confident	84.8	Confident	121 Å²	121	74.4 Å²	74.4	53%	0.526	38%	0.376	S	S	.	.			trans	-76.6	126	179.4	-67.8	173.5	177.1	-74.4	0	110.1	C243 C246 F250	C243-K248 WeakPolarHBondContact CB-O 3.42Å; C243-K248 PolarHBondContact N-O 3.44Å; C246-K248 PolarHBondContact O-N 3.31Å; C246-K248 VanDerWaalsContact SG-CB 3.57Å; C246-K248 PolarHBondContact SG-N 3.44Å; K248-F250 HydrophobicContact CB-CE2 3.84Å; K248-F250 HydrophobicContact CB-CZ 3.92Å
249	S	83	Confident	84.9	Confident	35 Å²	35	70.4 Å²	70.4	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	156.3	170.4	63.2	0	0	0	0	111.1	R239 F241 T247	R239-S249 VanDerWaalsContact CB-OG 3.22Å; R239-S249 WeakPolarHBondContact CB-OG 3.13Å; R239-S249 PolarHBondContact NE-O 3.07Å; R239-S249 PolarHBondContact NE-OG 3.33Å; R239-S249 PolarHBondContact NH2-O 2.97Å; R239-S249 VanDerWaalsContact O-CB 3.32Å; R239-S249 WeakPolarHBondContact O-CB 3.27Å; F241-S249 CarbonylContact O-C 3.56Å; F241-S249 WeakPolarHBondContact O-CA 3.42Å; T247-S249 PolarHBondContact O-N 2.77Å
250	F	88.1	Confident	84.9	Confident	28 Å²	28	65.9 Å²	65.9	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.5	-178.3	-60.3	-89.9	0	0	0	110.2	R239 F241 K248 Q252 L256 H259	R239-F250 CarbonylContact C-O 3.32Å; R239-F250 WeakPolarHBondContact CA-O 3.29Å; F241-F250 HydrophobicContact CB-CB 4.42Å; F241-F250 WeakPolarHBondContact CB-O 3.43Å; F241-F250 WeakPolarHBondContact CD2-O 3.39Å; F241-F250 PolarHBondContact N-O 3.26Å; F241-F250 PolarHBondContact O-N 3.14Å; K248-F250 HydrophobicContact CB-CE2 3.84Å; K248-F250 HydrophobicContact CB-CZ 3.92Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 2.77Å; F250-L256 HydrophobicContact CB-CB 4.29Å; F250-L256 HydrophobicContact CD2-CB 3.91Å; F250-L256 HydrophobicContact CD2-CD1 3.8Å; F250-L256 HydrophobicContact CD2-CG 4.47Å; F250-L256 HydrophobicContact CE2-CD1 4.02Å; F250-L256 HydrophobicContact CG-CB 4.28Å; F250-H259 HydrophobicContact CE1-CB 3.84Å; F250-H259 HydrophobicContact CE2-CB 3.69Å; F250-H259 AromaticContact CE2-CD2 3.27Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.43Å; F250-H259 AromaticContact CE2-CG 3.47Å; F250-H259 VanDerWaalsContact CE2-CG 3.47Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.42Å; F250-H259 VanDerWaalsContact CZ-CD2 3.42Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.42Å; F250-H259 AromaticContact CZ-CG 3.12Å; F250-H259 AromaticContact CZ-ND1 3.66Å
251	S	87	Confident	84.9	Confident	30 Å²	30	65.6 Å²	65.6	21%	0.21	33%	0.332	C	S	.	.	S	Bend	trans	-70.2	-24	175.8	53.1	0	0	0	0	112.9	R233 E238 F241	R233-S251 WeakPolarHBondContact CD-O 3.49Å; R233-S251 PolarHBondContact NH1-O 3.38Å; E238-S251 WeakPolarHBondContact O-CB 3.33Å; F241-S251 WeakPolarHBondContact CE2-O 3.47Å
252	Q	86.9	Confident	84.3	Confident	71 Å²	71	65.7 Å²	65.7	33%	0.332	34%	0.339	S	S	.	.	S	Bend	trans	-129.8	142.2	-178	-61.9	-178.8	5	0	0	112.4	A230 F250 T254 S255 L256	A230-Q252 HydrophobicContact CB-CG 4.49Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 2.77Å; Q252-T254 VanDerWaalsContact C-N 3.35Å; Q252-T254 PolarHBondContact O-N 3.23Å; Q252-S255 WeakPolarHBondContact O-CB 3.37Å; Q252-S255 PolarHBondContact O-N 3.41Å; Q252-L256 PolarHBondContact O-N 3.21Å
253	Q	87.4	Confident	84	Confident	77 Å²	77	63 Å²	63	36%	0.36	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-36.9	-178.2	179.9	62.5	-7.1	0	0	112.8	F241 S255 L256 I257	F241-Q253 HydrophobicContact CD1-CB 3.95Å; F241-Q253 HydrophobicContact CD1-CG 4.45Å; F241-Q253 HydrophobicContact CD2-CB 4.29Å; F241-Q253 HydrophobicContact CE1-CB 3.8Å; F241-Q253 HydrophobicContact CE1-CG 4.42Å; F241-Q253 HydrophobicContact CE2-CB 4.1Å; F241-Q253 VanDerWaalsContact CE2-N 3.29Å; F241-Q253 HydrophobicContact CG-CB 4.19Å; F241-Q253 HydrophobicContact CZ-CB 3.87Å; Q253-S255 VanDerWaalsContact C-N 3.26Å; Q253-S255 PolarHBondContact O-N 3.08Å; Q253-L256 WeakPolarHBondContact O-CB 3.3Å; Q253-L256 PolarHBondContact O-N 3.1Å; Q253-L256 VanDerWaalsContact O-N 3.14Å; Q253-I257 HydrophobicContact CG-CD1 4.07Å; Q253-I257 HydrophobicContact CG-CG1 4.49Å; Q253-I257 WeakPolarHBondContact O-CG1 3.33Å; Q253-I257 PolarHBondContact O-N 3.37Å
254	T	86.8	Confident	83.7	Confident	89 Å²	89	65.5 Å²	65.5	55%	0.546	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-40.1	175.7	51.8	0	0	0	0	111.2	Q252 I257 M258	Q252-T254 VanDerWaalsContact C-N 3.35Å; Q252-T254 PolarHBondContact O-N 3.23Å; T254-I257 PolarHBondContact O-N 3.46Å; T254-M258 WeakPolarHBondContact O-CB 3.43Å; T254-M258 WeakPolarHBondContact O-CG 3.27Å; T254-M258 PolarHBondContact O-N 2.76Å
255	S	88.9	Confident	83.1	Confident	48 Å²	48	60.4 Å²	60.4	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-38.4	175.8	-66.2	0	0	0	0	111.9	Q252 Q253 M258 H259	Q252-S255 WeakPolarHBondContact O-CB 3.37Å; Q252-S255 PolarHBondContact O-N 3.41Å; Q253-S255 VanDerWaalsContact C-N 3.26Å; Q253-S255 PolarHBondContact O-N 3.08Å; S255-M258 PolarHBondContact O-N 3.02Å; S255-H259 VanDerWaalsContact O-CB 3.27Å; S255-H259 WeakPolarHBondContact O-CB 3.35Å; S255-H259 PolarHBondContact O-N 3.28Å
256	L	88	Confident	82.6	Confident	11 Å²	11	58 Å²	58	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-50.7	172	172	60	0	0	0	111.2	F241 I242 C243 F250 Q252 Q253 M258 H259 E260	F241-L256 HydrophobicContact CB-CB 3.95Å; F241-L256 HydrophobicContact CB-CD2 3.85Å; F241-L256 HydrophobicContact CB-CG 4.49Å; I242-L256 WeakPolarHBondContact O-CD2 3.49Å; C243-L256 VanDerWaalsContact CA-CD1 3.42Å; C243-L256 HydrophobicContact CB-CD1 3.66Å; F250-L256 HydrophobicContact CB-CB 4.29Å; F250-L256 HydrophobicContact CD2-CB 3.91Å; F250-L256 HydrophobicContact CD2-CD1 3.8Å; F250-L256 HydrophobicContact CD2-CG 4.47Å; F250-L256 HydrophobicContact CE2-CD1 4.02Å; F250-L256 HydrophobicContact CG-CB 4.28Å; Q252-L256 PolarHBondContact O-N 3.21Å; Q253-L256 WeakPolarHBondContact O-CB 3.3Å; Q253-L256 PolarHBondContact O-N 3.1Å; Q253-L256 VanDerWaalsContact O-N 3.14Å; L256-M258 VanDerWaalsContact C-N 3.29Å; L256-M258 PolarHBondContact O-N 2.89Å; L256-H259 CarbonylContact O-C 3.25Å; L256-H259 WeakPolarHBondContact O-CA 3.36Å; L256-H259 WeakPolarHBondContact O-CB 3.23Å; L256-H259 PolarHBondContact O-N 3.1Å; L256-E260 HydrophobicContact CD1-CG 3.84Å; L256-E260 HydrophobicContact CG-CG 4.25Å; L256-E260 WeakPolarHBondContact O-CG 3.17Å; L256-E260 PolarHBondContact O-N 2.88Å
257	I	86.9	Confident	82.5	Confident	77 Å²	77	61.6 Å²	61.6	40%	0.395	33%	0.327	S	S	.	.	H	α-helix	trans	-58.1	-44	179.2	-66.5	166.4	0	0	0	110.7	Q253 T254 H259 E260 R261	Q253-I257 HydrophobicContact CG-CD1 4.07Å; Q253-I257 HydrophobicContact CG-CG1 4.49Å; Q253-I257 WeakPolarHBondContact O-CG1 3.33Å; Q253-I257 PolarHBondContact O-N 3.37Å; T254-I257 PolarHBondContact O-N 3.46Å; I257-H259 VanDerWaalsContact C-N 3.29Å; I257-H259 PolarHBondContact O-N 2.79Å; I257-E260 PolarHBondContact O-N 3.24Å; I257-R261 WeakPolarHBondContact O-CG 3.5Å; I257-R261 PolarHBondContact O-N 3.37Å; I257-R261 VanDerWaalsContact O-N 3.16Å
258	M	83.3	Confident	82.4	Confident	45 Å²	45	62 Å²	62	22%	0.222	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-35	176.6	-70.4	-57.2	-63.6	0	0	112.3	T254 S255 L256 R261 Q280	T254-M258 WeakPolarHBondContact O-CB 3.43Å; T254-M258 WeakPolarHBondContact O-CG 3.27Å; T254-M258 PolarHBondContact O-N 2.76Å; S255-M258 PolarHBondContact O-N 3.02Å; L256-M258 VanDerWaalsContact C-N 3.29Å; L256-M258 PolarHBondContact O-N 2.89Å; M258-R261 PolarHBondContact SD-NH1 3.3Å; M258-Q280 HydrophobicContact CE-CB 4.21Å; M258-Q280 HydrophobicContact CE-CG 3.48Å; M258-Q280 VanDerWaalsContact CE-CG 3.48Å
259	H	83.2	Confident	82.5	Confident	28 Å²	28	60 Å²	60	13%	0.13	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-40.9	172.5	169.3	67.8	0	0	0	112.4	C243 C246 F250 S255 L256 I257 R261 S262 H263	C243-H259 VanDerWaalsContact SG-CD2 3.57Å; C246-H259 PolarHBondContact SG-NE2 2.86Å; F250-H259 HydrophobicContact CE1-CB 3.84Å; F250-H259 HydrophobicContact CE2-CB 3.69Å; F250-H259 AromaticContact CE2-CD2 3.27Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.43Å; F250-H259 AromaticContact CE2-CG 3.47Å; F250-H259 VanDerWaalsContact CE2-CG 3.47Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.42Å; F250-H259 VanDerWaalsContact CZ-CD2 3.42Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.42Å; F250-H259 AromaticContact CZ-CG 3.12Å; F250-H259 AromaticContact CZ-ND1 3.66Å; S255-H259 VanDerWaalsContact O-CB 3.27Å; S255-H259 WeakPolarHBondContact O-CB 3.35Å; S255-H259 PolarHBondContact O-N 3.28Å; L256-H259 CarbonylContact O-C 3.25Å; L256-H259 WeakPolarHBondContact O-CA 3.36Å; L256-H259 WeakPolarHBondContact O-CB 3.23Å; L256-H259 PolarHBondContact O-N 3.1Å; I257-H259 VanDerWaalsContact C-N 3.29Å; I257-H259 PolarHBondContact O-N 2.79Å; H259-R261 PolarHBondContact O-N 2.68Å; H259-S262 WeakPolarHBondContact O-CA 3.39Å; H259-S262 WeakPolarHBondContact O-CB 3.37Å; H259-S262 PolarHBondContact O-N 3.37Å; H259-S262 PolarHBondContact O-OG 3.49Å; H259-H263 AromaticContact CE1-CD2 3.98Å; H259-H263 AromaticContact CE1-NE2 3.54Å; H259-H263 AromaticContact NE2-CD2 3.57Å; H259-H263 AromaticContact NE2-NE2 3.17Å; H259-H263 PolarHBondContact NE2-NE2 2.81Å; H259-H263 VanDerWaalsContact NE2-NE2 3.17Å
260	E	85.8	Confident	82.4	Confident	35 Å²	35	65.7 Å²	65.7	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-30.1	177.3	-71.9	-162.2	160.1	0	0	112.1	K244 L256 I257 S262 H263 T264	K244-E260 VanDerWaalsContact CE-OE1 3.32Å; K244-E260 WeakPolarHBondContact CE-OE1 3.39Å; K244-E260 WeakPolarHBondContact CE-OE2 3.34Å; K244-E260 WeakPolarHBondContact CG-OE1 3.43Å; K244-E260 IonicContact NZ-OE1 3.8Å; K244-E260 IonicContact NZ-OE2 3.17Å; K244-E260 PolarHBondContact NZ-OE2 3.36Å; K244-E260 VanDerWaalsContact NZ-OE2 3.17Å; L256-E260 HydrophobicContact CD1-CG 3.84Å; L256-E260 HydrophobicContact CG-CG 4.25Å; L256-E260 WeakPolarHBondContact O-CG 3.17Å; L256-E260 PolarHBondContact O-N 2.88Å; I257-E260 PolarHBondContact O-N 3.24Å; E260-S262 PolarHBondContact O-N 3.26Å; E260-H263 WeakPolarHBondContact O-CA 3.34Å; E260-H263 WeakPolarHBondContact O-CB 3.36Å; E260-H263 PolarHBondContact O-N 3.3Å; E260-T264 PolarHBondContact O-N 3.11Å
261	R	84.6	Confident	82.2	Confident	61 Å²	61	64.6 Å²	64.6	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-26.1	170.9	-68.1	177.4	-179.2	176.9	2.5	113.2	I257 M258 H259 T264 G265 E266 I279	I257-R261 WeakPolarHBondContact O-CG 3.5Å; I257-R261 PolarHBondContact O-N 3.37Å; I257-R261 VanDerWaalsContact O-N 3.16Å; M258-R261 PolarHBondContact SD-NH1 3.3Å; H259-R261 PolarHBondContact O-N 2.68Å; R261-T264 WeakPolarHBondContact CA-OG1 3.28Å; R261-T264 PolarHBondContact O-OG1 3.34Å; R261-G265 PolarHBondContact O-N 3.17Å; R261-E266 PolarHBondContact O-N 3.48Å; R261-I279 HydrophobicContact CB-CG2 3.66Å
262	S	75.3	Confident	81.9	Confident	54 Å²	54	68.5 Å²	68.5	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-71.3	-30.1	173.3	78.8	0	0	0	0	112.9	H259 E260	H259-S262 WeakPolarHBondContact O-CA 3.39Å; H259-S262 WeakPolarHBondContact O-CB 3.37Å; H259-S262 PolarHBondContact O-N 3.37Å; H259-S262 PolarHBondContact O-OG 3.49Å; E260-S262 PolarHBondContact O-N 3.26Å
263	H	75.3	Confident	81.4	Confident	58 Å²	58	69.9 Å²	69.9	27%	0.269	35%	0.345	S	S	.	.	H	α-helix	trans	-78	-43.9	174.3	-72.8	-71.5	0	0	0	112.3	C243 Y245 C246 H259 E260 G265	C243-H263 VanDerWaalsContact SG-CD2 3.5Å; Y245-H263 HydrophobicContact CD2-CB 3.57Å; Y245-H263 AromaticContact CD2-CG 3.86Å; Y245-H263 HydrophobicContact CE2-CB 4.24Å; Y245-H263 HydrophobicContact CG-CB 4.1Å; C246-H263 PolarHBondContact SG-NE2 3.43Å; H259-H263 AromaticContact CE1-CD2 3.98Å; H259-H263 AromaticContact CE1-NE2 3.54Å; H259-H263 AromaticContact NE2-CD2 3.57Å; H259-H263 AromaticContact NE2-NE2 3.17Å; H259-H263 PolarHBondContact NE2-NE2 2.81Å; H259-H263 VanDerWaalsContact NE2-NE2 3.17Å; E260-H263 WeakPolarHBondContact O-CA 3.34Å; E260-H263 WeakPolarHBondContact O-CB 3.36Å; E260-H263 PolarHBondContact O-N 3.3Å; H263-G265 PolarHBondContact O-N 3.21Å
264	T	77.5	Confident	81.1	Confident	57 Å²	57	67.7 Å²	67.7	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-28.1	176	65.4	0	0	0	0	111.3	E260 R261 E266	E260-T264 PolarHBondContact O-N 3.11Å; R261-T264 WeakPolarHBondContact CA-OG1 3.28Å; R261-T264 PolarHBondContact O-OG1 3.34Å; T264-E266 VanDerWaalsContact C-N 3.31Å; T264-E266 PolarHBondContact OG1-N 3.01Å
265	G	70.3	Confident	80.7	Confident	30 Å²	30	71.4 Å²	71.4	31%	0.309	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	10.4	-178.9	0	0	0	0	0	113.1	R261 H263 R267	R261-G265 PolarHBondContact O-N 3.17Å; H263-G265 PolarHBondContact O-N 3.21Å; G265-R267 PolarHBondContact O-N 3.41Å
266	E	69.2	Low	80.3	Confident	83 Å²	83	75.1 Å²	75.1	39%	0.388	37%	0.365	S	S	.	.			trans	-69.2	86.2	179.5	-72.9	-176.4	-164.6	0	0	111.7	R261 T264 R268	R261-E266 PolarHBondContact O-N 3.48Å; T264-E266 VanDerWaalsContact C-N 3.31Å; T264-E266 PolarHBondContact OG1-N 3.01Å; E266-R268 HydrophobicContact CB-CG 4.35Å; E266-R268 PolarHBondContact O-N 2.89Å; E266-R268 IonicContact OE2-CZ 3.27Å; E266-R268 VanDerWaalsContact OE2-CZ 3.27Å; E266-R268 IonicContact OE2-NE 2.98Å; E266-R268 PolarHBondContact OE2-NE 2.84Å; E266-R268 IonicContact OE2-NH2 2.7Å; E266-R268 PolarHBondContact OE2-NH2 3.06Å
267	R	79.9	Confident	80.1	Confident	114 Å²	114	81.4 Å²	81.4	43%	0.43	39%	0.388	S	S	.	.			trans	-88.3	77.9	171	-72.5	170.5	168.6	85.4	0.7	109.9	G265 Y269 R277 F278 I279	G265-R267 PolarHBondContact O-N 3.41Å; R267-Y269 VanDerWaalsContact C-N 3.32Å; R267-Y269 PolarHBondContact O-N 2.93Å; R267-R277 HydrophobicContact CB-CB 3.56Å; R267-R277 VanDerWaalsContact CD-O 3.27Å; R267-R277 WeakPolarHBondContact CD-O 3.39Å; R267-R277 PolarHBondContact O-NE 3.13Å; R267-R277 PolarHBondContact O-NH2 2.92Å; R267-F278 CarbonylContact C-O 3.54Å; R267-F278 VanDerWaalsContact CA-O 3.28Å; R267-F278 WeakPolarHBondContact CA-O 3.47Å; R267-I279 HydrophobicContact CG-CG1 3.67Å
268	R	79.4	Confident	80	Confident	149 Å²	149	79.7 Å²	79.7	56%	0.562	38%	0.378	S	S	*	.			trans	-68.8	-27.2	-170.2	-62.6	-171.4	-179.9	-154	0.9	113.7	E266 F278	E266-R268 HydrophobicContact CB-CG 4.35Å; E266-R268 PolarHBondContact O-N 2.89Å; E266-R268 IonicContact OE2-CZ 3.27Å; E266-R268 VanDerWaalsContact OE2-CZ 3.27Å; E266-R268 IonicContact OE2-NE 2.98Å; E266-R268 PolarHBondContact OE2-NE 2.84Å; E266-R268 IonicContact OE2-NH2 2.7Å; E266-R268 PolarHBondContact OE2-NH2 3.06Å; R268-F278 PolarHBondContact N-O 2.7Å
269	Y	86.9	Confident	80	Confident	79 Å²	79	79.1 Å²	79.1	31%	0.31	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.3	-171.6	-53.7	-77	0	0	0	110.5	R267 R277 F278 I279 P281	R267-Y269 VanDerWaalsContact C-N 3.32Å; R267-Y269 PolarHBondContact O-N 2.93Å; Y269-R277 CarbonylContact O-C 3.49Å; Y269-R277 WeakPolarHBondContact O-CA 3.47Å; Y269-F278 PolarHBondContact N-O 2.98Å; Y269-F278 VanDerWaalsContact N-O 3.12Å; Y269-F278 PolarHBondContact O-N 3.07Å; Y269-I279 WeakPolarHBondContact CE2-O 3.43Å; Y269-P281 HydrophobicContact CD1-CG 4.24Å; Y269-P281 HydrophobicContact CD2-CG 4.31Å; Y269-P281 HydrophobicContact CE1-CB 4.48Å; Y269-P281 HydrophobicContact CE1-CG 3.75Å; Y269-P281 VanDerWaalsContact CE2-CD 3.5Å; Y269-P281 HydrophobicContact CE2-CG 3.82Å
270	K	80.8	Confident	80	Confident	155 Å²	155	81.6 Å²	81.6	67%	0.674	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	144.1	176.7	61.9	172	-176	166.7	0	110.5	R277 L284	K270-R277 HydrophobicContact CB-CG 4.15Å; K270-L284 VanDerWaalsContact O-CD2 3.3Å; K270-L284 WeakPolarHBondContact O-CD2 3.43Å
271	C	82	Confident	79.9	Confident	6 Å²	6	83.3 Å²	83.3	4%	0.041	40%	0.401	C	S	.	.			trans	-72.1	143.9	162.9	-172.8	0	0	0	0	108.8	C274 K276 F278 L284 H287 H291	C271-C274 CarbonylContact C-O 3.57Å; C271-C274 VanDerWaalsContact CB-O 3.27Å; C271-C274 WeakPolarHBondContact CB-O 3.44Å; C271-K276 PolarHBondContact N-O 3.43Å; C271-F278 HydrophobicContact CB-CE2 4.31Å; C271-L284 HydrophobicContact CB-CD1 3.68Å; C271-H287 PolarHBondContact SG-NE2 3.43Å; C271-H287 VanDerWaalsContact SG-NE2 3.4Å; C271-H291 PolarHBondContact SG-NE2 3.21Å; C271-H291 VanDerWaalsContact SG-NE2 3.43Å
272	D	81.2	Confident	80	Confident	112 Å²	112	83.9 Å²	83.9	60%	0.599	42%	0.415	S	S	*	.	S	Bend	trans	-79.9	-35.1	177.1	48.5	-15.6	0	0	0	111.4	R288	D272-R288 IonicContact OD1-NE 2.61Å
273	I	76.9	Confident	80.5	Confident	99 Å²	99	83.1 Å²	83.1	51%	0.508	41%	0.412	S	S	.	.	S	Bend	trans	-88	-22.5	-177.8	-55.7	166.2	0	0	0	111.9	H291	I273-H291 HydrophobicContact CB-CB 4.45Å; I273-H291 HydrophobicContact CD1-CB 3.47Å; I273-H291 VanDerWaalsContact CD1-CB 3.47Å; I273-H291 HydrophobicContact CG2-CB 4.25Å; I273-H291 VanDerWaalsContact CG2-ND1 3.29Å; I273-H291 WeakPolarHBondContact CG2-ND1 3.49Å
274	C	80.5	Confident	81	Confident	31 Å²	31	81.7 Å²	81.7	21%	0.209	41%	0.406	C	S	.	.	S	Bend	trans	-144.2	161.1	173.1	72.6	0	0	0	0	113.1	C271 K276 H287 H291	C271-C274 CarbonylContact C-O 3.57Å; C271-C274 VanDerWaalsContact CB-O 3.27Å; C271-C274 WeakPolarHBondContact CB-O 3.44Å; C274-K276 PolarHBondContact O-N 3.49Å; C274-H287 PolarHBondContact SG-NE2 3.33Å; C274-H291 PolarHBondContact SG-NE2 3.4Å; C274-H291 VanDerWaalsContact SG-NE2 3.37Å
275	D	79.2	Confident	81.4	Confident	168 Å²	168	83.6 Å²	83.6	90%	0.898	41%	0.41	S	S	*	.	S	Bend	trans	-71	12.4	-178	-68.3	-39.5	0	0	0	115.2
276	K	79.3	Confident	81.9	Confident	126 Å²	126	83.7 Å²	83.7	55%	0.548	41%	0.407	S	S	.	.			trans	-73.2	132.2	178.8	-68.2	-178.5	-175.9	179.1	0	110.4	C271 C274 F278	C271-K276 PolarHBondContact N-O 3.43Å; C274-K276 PolarHBondContact O-N 3.49Å; K276-F278 HydrophobicContact CB-CE2 3.75Å; K276-F278 HydrophobicContact CB-CZ 3.87Å
277	R	84.1	Confident	82.5	Confident	143 Å²	143	80.5 Å²	80.5	54%	0.54	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.4	178.2	-53.5	-179	71.3	-152.9	5	110.8	R267 Y269 K270	R267-R277 HydrophobicContact CB-CB 3.56Å; R267-R277 VanDerWaalsContact CD-O 3.27Å; R267-R277 WeakPolarHBondContact CD-O 3.39Å; R267-R277 PolarHBondContact O-NE 3.13Å; R267-R277 PolarHBondContact O-NH2 2.92Å; Y269-R277 CarbonylContact O-C 3.49Å; Y269-R277 WeakPolarHBondContact O-CA 3.47Å; K270-R277 HydrophobicContact CB-CG 4.15Å
278	F	84.5	Confident	82.5	Confident	40 Å²	40	80 Å²	80	18%	0.175	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.8	-174.5	-60.1	-89.4	0	0	0	111.2	R267 R268 Y269 C271 K276 A283 L284 H287	R267-F278 CarbonylContact C-O 3.54Å; R267-F278 VanDerWaalsContact CA-O 3.28Å; R267-F278 WeakPolarHBondContact CA-O 3.47Å; R268-F278 PolarHBondContact N-O 2.7Å; Y269-F278 PolarHBondContact N-O 2.98Å; Y269-F278 VanDerWaalsContact N-O 3.12Å; Y269-F278 PolarHBondContact O-N 3.07Å; C271-F278 HydrophobicContact CB-CE2 4.31Å; K276-F278 HydrophobicContact CB-CE2 3.75Å; K276-F278 HydrophobicContact CB-CZ 3.87Å; F278-A283 HydrophobicContact CB-CB 4.26Å; F278-A283 HydrophobicContact CD1-CB 3.9Å; F278-A283 HydrophobicContact CG-CB 4.4Å; F278-L284 HydrophobicContact CB-CB 4.13Å; F278-L284 HydrophobicContact CD2-CB 3.85Å; F278-L284 HydrophobicContact CD2-CD1 3.7Å; F278-L284 HydrophobicContact CD2-CG 4.36Å; F278-L284 HydrophobicContact CE2-CD1 3.9Å; F278-L284 HydrophobicContact CG-CB 4.09Å; F278-H287 HydrophobicContact CE1-CB 3.72Å; F278-H287 AromaticContact CE1-CG 3.99Å; F278-H287 HydrophobicContact CE2-CB 3.93Å; F278-H287 AromaticContact CE2-CD2 3.2Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.35Å; F278-H287 AromaticContact CE2-CG 3.64Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.35Å; F278-H287 AromaticContact CZ-CD2 3.22Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.39Å; F278-H287 AromaticContact CZ-CG 3.14Å; F278-H287 AromaticContact CZ-ND1 3.86Å; F278-H287 AromaticContact CZ-NE2 3.9Å
279	I	83.3	Confident	82.6	Confident	34 Å²	34	74.9 Å²	74.9	17%	0.174	37%	0.37	C	S	.	.	S	Bend	trans	-78.9	-31.2	178.2	-58.6	175	0	0	0	110.8	R261 R267 Y269	R261-I279 HydrophobicContact CB-CG2 3.66Å; R267-I279 HydrophobicContact CG-CG1 3.67Å; Y269-I279 WeakPolarHBondContact CE2-O 3.43Å
280	Q	83.1	Confident	82.1	Confident	80 Å²	80	75.7 Å²	75.7	37%	0.374	38%	0.383	S	S	.	.	S	Bend	trans	-122.1	146.6	-176.6	-49.6	-162.1	-28.3	0	0	111.2	M258 S282 A283 L284	M258-Q280 HydrophobicContact CE-CB 4.21Å; M258-Q280 HydrophobicContact CE-CG 3.48Å; M258-Q280 VanDerWaalsContact CE-CG 3.48Å; Q280-S282 VanDerWaalsContact C-N 3.35Å; Q280-S282 PolarHBondContact O-N 3.11Å; Q280-S282 PolarHBondContact OE1-OG 3.43Å; Q280-A283 HydrophobicContact CB-CB 4.36Å; Q280-A283 PolarHBondContact O-N 3.39Å; Q280-L284 PolarHBondContact O-N 3.35Å
281	P	85.5	Confident	81.7	Confident	70 Å²	70	71.6 Å²	71.6	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-40.3	173.9	-19.6	29.9	0	0	0	113	Y269 A283 L284 H285	Y269-P281 HydrophobicContact CD1-CG 4.24Å; Y269-P281 HydrophobicContact CD2-CG 4.31Å; Y269-P281 HydrophobicContact CE1-CB 4.48Å; Y269-P281 HydrophobicContact CE1-CG 3.75Å; Y269-P281 VanDerWaalsContact CE2-CD 3.5Å; Y269-P281 HydrophobicContact CE2-CG 3.82Å; P281-A283 VanDerWaalsContact C-N 3.27Å; P281-A283 PolarHBondContact O-N 3.49Å; P281-L284 WeakPolarHBondContact O-CB 3.29Å; P281-L284 PolarHBondContact O-N 3.47Å; P281-L284 VanDerWaalsContact O-N 3.1Å; P281-H285 PolarHBondContact O-N 3.16Å
282	S	86	Confident	81.4	Confident	74 Å²	74	74.8 Å²	74.8	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-38.2	178.6	51.9	0	0	0	0	112.4	Q280 H285 S286	Q280-S282 VanDerWaalsContact C-N 3.35Å; Q280-S282 PolarHBondContact O-N 3.11Å; Q280-S282 PolarHBondContact OE1-OG 3.43Å; S282-H285 PolarHBondContact O-N 3.32Å; S282-S286 VanDerWaalsContact O-CB 3.27Å; S282-S286 WeakPolarHBondContact O-CB 3.27Å; S282-S286 PolarHBondContact O-N 3.14Å
283	A	85.6	Confident	81.1	Confident	38 Å²	38	72 Å²	72	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-69.5	-37.1	176.3	0	0	0	0	0	112.2	F278 Q280 P281 H287	F278-A283 HydrophobicContact CB-CB 4.26Å; F278-A283 HydrophobicContact CD1-CB 3.9Å; F278-A283 HydrophobicContact CG-CB 4.4Å; Q280-A283 HydrophobicContact CB-CB 4.36Å; Q280-A283 PolarHBondContact O-N 3.39Å; P281-A283 VanDerWaalsContact C-N 3.27Å; P281-A283 PolarHBondContact O-N 3.49Å; A283-H287 VanDerWaalsContact O-CB 3.24Å; A283-H287 WeakPolarHBondContact O-CB 3.28Å; A283-H287 PolarHBondContact O-N 2.71Å
284	L	85.4	Confident	80.8	Confident	27 Å²	27	72.6 Å²	72.6	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-65.4	-46.8	171.9	171.6	60.6	0	0	0	110.9	K270 C271 F278 Q280 P281 S286 H287 R288	K270-L284 VanDerWaalsContact O-CD2 3.3Å; K270-L284 WeakPolarHBondContact O-CD2 3.43Å; C271-L284 HydrophobicContact CB-CD1 3.68Å; F278-L284 HydrophobicContact CB-CB 4.13Å; F278-L284 HydrophobicContact CD2-CB 3.85Å; F278-L284 HydrophobicContact CD2-CD1 3.7Å; F278-L284 HydrophobicContact CD2-CG 4.36Å; F278-L284 HydrophobicContact CE2-CD1 3.9Å; F278-L284 HydrophobicContact CG-CB 4.09Å; Q280-L284 PolarHBondContact O-N 3.35Å; P281-L284 WeakPolarHBondContact O-CB 3.29Å; P281-L284 PolarHBondContact O-N 3.47Å; P281-L284 VanDerWaalsContact O-N 3.1Å; L284-S286 PolarHBondContact O-N 2.99Å; L284-H287 CarbonylContact O-C 3.51Å; L284-H287 WeakPolarHBondContact O-CA 3.36Å; L284-H287 WeakPolarHBondContact O-CB 3.5Å; L284-H287 PolarHBondContact O-N 3.09Å; L284-H287 VanDerWaalsContact O-N 3.1Å; L284-R288 HydrophobicContact CD1-CG 4.22Å; L284-R288 WeakPolarHBondContact O-CG 3.39Å; L284-R288 PolarHBondContact O-N 3.02Å
285	H	85.4	Confident	80.9	Confident	97 Å²	97	78.2 Å²	78.2	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-60.1	-45.7	178.4	178.5	83.3	0	0	0	111.9	P281 S282 H287 R288 R289	P281-H285 PolarHBondContact O-N 3.16Å; S282-H285 PolarHBondContact O-N 3.32Å; H285-H287 VanDerWaalsContact C-N 3.31Å; H285-H287 PolarHBondContact O-N 3.2Å; H285-R288 PolarHBondContact O-N 3.47Å; H285-R289 PolarHBondContact NE2-NH2 2.98Å
286	S	81.5	Confident	80.9	Confident	33 Å²	33	73.8 Å²	73.8	23%	0.231	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-40	172.7	157.1	0	0	0	0	111.9	S282 L284 R289 H308	S282-S286 VanDerWaalsContact O-CB 3.27Å; S282-S286 WeakPolarHBondContact O-CB 3.27Å; S282-S286 PolarHBondContact O-N 3.14Å; L284-S286 PolarHBondContact O-N 2.99Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 PolarHBondContact O-N 2.96Å; S286-H308 PolarHBondContact OG-CE1 3.46Å; S286-H308 PolarHBondContact OG-NE2 3.2Å
287	H	81.9	Confident	81.2	Confident	16 Å²	16	72 Å²	72	7%	0.074	37%	0.372	C	S	.	.	H	α-helix	trans	-67.5	-36.3	175.4	166.3	59.7	0	0	0	113.3	C271 C274 F278 A283 L284 H285 R289 T290 H291	C271-H287 PolarHBondContact SG-NE2 3.43Å; C271-H287 VanDerWaalsContact SG-NE2 3.4Å; C274-H287 PolarHBondContact SG-NE2 3.33Å; F278-H287 HydrophobicContact CE1-CB 3.72Å; F278-H287 AromaticContact CE1-CG 3.99Å; F278-H287 HydrophobicContact CE2-CB 3.93Å; F278-H287 AromaticContact CE2-CD2 3.2Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.35Å; F278-H287 AromaticContact CE2-CG 3.64Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.35Å; F278-H287 AromaticContact CZ-CD2 3.22Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.39Å; F278-H287 AromaticContact CZ-CG 3.14Å; F278-H287 AromaticContact CZ-ND1 3.86Å; F278-H287 AromaticContact CZ-NE2 3.9Å; A283-H287 VanDerWaalsContact O-CB 3.24Å; A283-H287 WeakPolarHBondContact O-CB 3.28Å; A283-H287 PolarHBondContact O-N 2.71Å; L284-H287 CarbonylContact O-C 3.51Å; L284-H287 WeakPolarHBondContact O-CA 3.36Å; L284-H287 WeakPolarHBondContact O-CB 3.5Å; L284-H287 PolarHBondContact O-N 3.09Å; L284-H287 VanDerWaalsContact O-N 3.1Å; H285-H287 VanDerWaalsContact C-N 3.31Å; H285-H287 PolarHBondContact O-N 3.2Å; H287-R289 PolarHBondContact O-N 2.84Å; H287-R289 VanDerWaalsContact O-N 3.11Å; H287-T290 PolarHBondContact CE1-OG1 3.01Å; H287-T290 PolarHBondContact ND1-OG1 2.96Å; H287-T290 VanDerWaalsContact ND1-OG1 3.13Å; H287-T290 VanDerWaalsContact O-CB 3.3Å; H287-T290 WeakPolarHBondContact O-CB 3.47Å; H287-T290 WeakPolarHBondContact O-CG2 3.48Å; H287-T290 PolarHBondContact O-N 3.23Å; H287-T290 PolarHBondContact O-OG1 3.43Å; H287-H291 AromaticContact CE1-NE2 3.46Å; H287-H291 PolarHBondContact CE1-NE2 3.44Å; H287-H291 AromaticContact NE2-CD2 3.87Å; H287-H291 AromaticContact NE2-NE2 3.29Å; H287-H291 PolarHBondContact NE2-NE2 2.81Å
288	R	80.6	Confident	81	Confident	103 Å²	103	71 Å²	71	39%	0.389	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-28.2	177.4	-75.2	178.3	75.2	-127.7	2.7	112.3	D272 L284 H285 T290 H291 T292	D272-R288 IonicContact OD1-NE 2.61Å; L284-R288 HydrophobicContact CD1-CG 4.22Å; L284-R288 WeakPolarHBondContact O-CG 3.39Å; L284-R288 PolarHBondContact O-N 3.02Å; H285-R288 PolarHBondContact O-N 3.47Å; R288-T290 PolarHBondContact O-N 3.09Å; R288-T290 VanDerWaalsContact O-N 3.16Å; R288-H291 WeakPolarHBondContact O-CB 3.35Å; R288-H291 PolarHBondContact O-N 3.21Å; R288-T292 PolarHBondContact O-N 3.22Å; R288-T292 VanDerWaalsContact O-N 3.11Å
289	R	81.3	Confident	80.6	Confident	42 Å²	42	69.1 Å²	69.1	16%	0.158	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-21.7	172.1	-56.5	-177	-176	-147	-9.8	113.9	H285 S286 H287 H291 T292 G293 A307	H285-R289 PolarHBondContact NE2-NH2 2.98Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 PolarHBondContact O-N 2.96Å; H287-R289 PolarHBondContact O-N 2.84Å; H287-R289 VanDerWaalsContact O-N 3.11Å; R289-H291 VanDerWaalsContact C-N 3.27Å; R289-T292 WeakPolarHBondContact CA-OG1 3.3Å; R289-G293 WeakPolarHBondContact O-CA 3.44Å; R289-G293 PolarHBondContact O-N 3.37Å; R289-A307 PolarHBondContact NH1-O 2.89Å; R289-A307 VanDerWaalsContact NH1-O 3.09Å
290	T	75.2	Confident	80.5	Confident	95 Å²	95	77 Å²	77	58%	0.583	40%	0.398	S	S	*	.	H	α-helix	trans	-73.7	-20.8	173.6	67.2	0	0	0	0	113	H287 R288	H287-T290 PolarHBondContact CE1-OG1 3.01Å; H287-T290 PolarHBondContact ND1-OG1 2.96Å; H287-T290 VanDerWaalsContact ND1-OG1 3.13Å; H287-T290 VanDerWaalsContact O-CB 3.3Å; H287-T290 WeakPolarHBondContact O-CB 3.47Å; H287-T290 WeakPolarHBondContact O-CG2 3.48Å; H287-T290 PolarHBondContact O-N 3.23Å; H287-T290 PolarHBondContact O-OG1 3.43Å; R288-T290 PolarHBondContact O-N 3.09Å; R288-T290 VanDerWaalsContact O-N 3.16Å
291	H	72.6	Confident	80.1	Confident	69 Å²	69	79.3 Å²	79.3	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-90.2	-40.7	172.8	-64	-67.9	0	0	0	111.6	C271 I273 C274 H287 R288 R289	C271-H291 PolarHBondContact SG-NE2 3.21Å; C271-H291 VanDerWaalsContact SG-NE2 3.43Å; I273-H291 HydrophobicContact CB-CB 4.45Å; I273-H291 HydrophobicContact CD1-CB 3.47Å; I273-H291 VanDerWaalsContact CD1-CB 3.47Å; I273-H291 HydrophobicContact CG2-CB 4.25Å; I273-H291 VanDerWaalsContact CG2-ND1 3.29Å; I273-H291 WeakPolarHBondContact CG2-ND1 3.49Å; C274-H291 PolarHBondContact SG-NE2 3.4Å; C274-H291 VanDerWaalsContact SG-NE2 3.37Å; H287-H291 AromaticContact CE1-NE2 3.46Å; H287-H291 PolarHBondContact CE1-NE2 3.44Å; H287-H291 AromaticContact NE2-CD2 3.87Å; H287-H291 AromaticContact NE2-NE2 3.29Å; H287-H291 PolarHBondContact NE2-NE2 2.81Å; R288-H291 WeakPolarHBondContact O-CB 3.35Å; R288-H291 PolarHBondContact O-N 3.21Å; R289-H291 VanDerWaalsContact C-N 3.27Å
292	T	76.2	Confident	79.8	Confident	73 Å²	73	77.2 Å²	77.2	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-79.3	-18.5	179.5	65.4	0	0	0	0	113.5	R288 R289 E294	R288-T292 PolarHBondContact O-N 3.22Å; R288-T292 VanDerWaalsContact O-N 3.11Å; R289-T292 WeakPolarHBondContact CA-OG1 3.3Å; T292-E294 PolarHBondContact O-N 3.4Å; T292-E294 WeakPolarHBondContact OG1-CG 3.4Å
293	G	74.7	Confident	79.5	Confident	53 Å²	53	79.2 Å²	79.2	55%	0.546	41%	0.411	S	S	.	.			trans	71.4	3	-176.9	0	0	0	0	0	114.3	R289 R295	R289-G293 WeakPolarHBondContact O-CA 3.44Å; R289-G293 PolarHBondContact O-N 3.37Å; G293-R295 PolarHBondContact O-N 2.94Å
294	E	70.3	Confident	79	Confident	113 Å²	113	82.4 Å²	82.4	53%	0.528	42%	0.417	S	S	.	.			trans	-62.2	128.5	-177.9	-73.4	172.9	-157.2	0	0	112	T292 P296	T292-E294 PolarHBondContact O-N 3.4Å; T292-E294 WeakPolarHBondContact OG1-CG 3.4Å; E294-P296 HydrophobicContact CB-CG 4.45Å; E294-P296 WeakPolarHBondContact O-CD 3.36Å
295	R	83.3	Confident	78.5	Confident	148 Å²	148	84.1 Å²	84.1	56%	0.558	43%	0.427	S	S	*	.			trans	-123.8	74.8	178.5	-64.2	169.8	82.1	137.8	0.3	110.3	G293 Y297 N305 F306	G293-R295 PolarHBondContact O-N 2.94Å; R295-Y297 VanDerWaalsContact C-N 3.26Å; R295-Y297 PolarHBondContact O-N 3.29Å; R295-N305 HydrophobicContact CB-CB 3.68Å; R295-N305 VanDerWaalsContact CZ-O 3.23Å; R295-N305 PolarHBondContact NE-O 3.38Å; R295-N305 PolarHBondContact NH2-O 3.44Å; R295-N305 WeakPolarHBondContact O-CB 3.33Å; R295-F306 CarbonylContact C-O 3.52Å; R295-F306 VanDerWaalsContact C-O 3.25Å; R295-F306 WeakPolarHBondContact CA-O 3.47Å
296	P	79.6	Confident	78.2	Confident	75 Å²	75	80.8 Å²	80.8	49%	0.487	41%	0.411	S	S	.	.			trans	-73.2	-15.3	-168.1	-21.3	37.1	0	0	0	114.5	E294 Q298	E294-P296 HydrophobicContact CB-CG 4.45Å; E294-P296 WeakPolarHBondContact O-CD 3.36Å; P296-Q298 PolarHBondContact O-N 2.99Å
297	Y	84.3	Confident	78.2	Confident	89 Å²	89	80.7 Å²	80.7	35%	0.349	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	92.4	-174	-57.8	-77.7	0	0	0	110.5	R295 N305 F306 A307 H308 A309	R295-Y297 VanDerWaalsContact C-N 3.26Å; R295-Y297 PolarHBondContact O-N 3.29Å; Y297-N305 CarbonylContact O-C 3.58Å; Y297-F306 WeakPolarHBondContact CB-O 3.47Å; Y297-F306 PolarHBondContact N-O 3.47Å; Y297-F306 WeakPolarHBondContact O-CD2 3.28Å; Y297-F306 PolarHBondContact O-N 3.38Å; Y297-A307 WeakPolarHBondContact CD2-O 3.18Å; Y297-A307 WeakPolarHBondContact CE2-O 3.4Å; Y297-H308 VanDerWaalsContact CD2-C 3.4Å; Y297-A309 HydrophobicContact CD1-CB 3.94Å; Y297-A309 HydrophobicContact CD2-CB 4.47Å; Y297-A309 VanDerWaalsContact CD2-N 3.34Å; Y297-A309 HydrophobicContact CE1-CB 3.79Å; Y297-A309 HydrophobicContact CE2-CB 4.3Å; Y297-A309 HydrophobicContact CG-CB 4.28Å
298	Q	80	Confident	78.2	Confident	121 Å²	121	83 Å²	83	57%	0.565	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.3	176.3	-179.3	167.6	15.4	0	0	112	P296 N305	P296-Q298 PolarHBondContact O-N 2.99Å; Q298-N305 WeakPolarHBondContact CA-OD1 3.19Å; Q298-N305 WeakPolarHBondContact CB-OD1 3.33Å; Q298-N305 WeakPolarHBondContact CG-OD1 3.48Å
299	C	77.1	Confident	78.4	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.014	42%	0.418	C	S	.	.			trans	-72.5	134.6	167.1	-170.9	0	0	0	0	110.3	L301 C302 K304 F306 L312 H315	C299-L301 VanDerWaalsContact C-N 3.33Å; C299-C302 CarbonylContact C-O 3.22Å; C299-K304 WeakPolarHBondContact CB-O 3.23Å; C299-K304 PolarHBondContact N-O 3.05Å; C299-F306 HydrophobicContact CB-CE2 4.29Å; C299-L312 VanDerWaalsContact CA-CD1 3.49Å; C299-L312 HydrophobicContact CB-CD1 3.65Å; C299-H315 PolarHBondContact SG-NE2 3.28Å
300	K	80.3	Confident	78.5	Confident	198 Å²	198	81.8 Å²	81.8	86%	0.861	44%	0.435	S	S	*	.	S	Bend	trans	-76	-22	177.8	-63.5	-172.7	178.8	-175.4	0	113.4
301	L	76.5	Confident	79	Confident	130 Å²	130	79.3 Å²	79.3	68%	0.681	42%	0.422	S	S	*	.	S	Bend	trans	-96.4	-11.6	-176.7	-61.2	176.2	0	0	0	113.1	C299 H319	C299-L301 VanDerWaalsContact C-N 3.33Å; L301-H319 HydrophobicContact CD1-CB 3.82Å
302	C	79.1	Confident	79.4	Confident	25 Å²	25	77.1 Å²	77.1	17%	0.169	41%	0.412	C	S	.	.	S	Bend	trans	-154.9	160.9	178.3	78.1	0	0	0	0	110.9	C299 K304 H315 H319	C299-C302 CarbonylContact C-O 3.22Å; C302-K304 PolarHBondContact O-N 2.9Å; C302-H315 PolarHBondContact SG-NE2 3.16Å; C302-H319 PolarHBondContact SG-NE2 3.16Å
303	P	79.1	Confident	79.6	Confident	117 Å²	117	81.1 Å²	81.1	76%	0.76	42%	0.419	S	S	*	.	S	Bend	trans	-70.3	11	-175.7	27.7	-35.2	0	0	0	114.7	N305	P303-N305 PolarHBondContact O-N 2.96Å
304	K	75.5	Confident	79.9	Confident	104 Å²	104	85.7 Å²	85.7	45%	0.452	43%	0.426	S	S	.	.			trans	-79	122.3	-176.2	-67.1	178.1	-178.1	170.5	0	111.5	C299 C302 F306	C299-K304 WeakPolarHBondContact CB-O 3.23Å; C299-K304 PolarHBondContact N-O 3.05Å; C302-K304 PolarHBondContact O-N 2.9Å; K304-F306 HydrophobicContact CB-CE2 3.65Å; K304-F306 HydrophobicContact CB-CZ 3.77Å; K304-F306 HydrophobicContact CD-CZ 4.38Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å
305	N	74.3	Confident	80.3	Confident	63 Å²	63	81.2 Å²	81.2	34%	0.337	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144.7	172	-65.2	-15.1	0	0	0	111	R295 Y297 Q298 P303	R295-N305 HydrophobicContact CB-CB 3.68Å; R295-N305 VanDerWaalsContact CZ-O 3.23Å; R295-N305 PolarHBondContact NE-O 3.38Å; R295-N305 PolarHBondContact NH2-O 3.44Å; R295-N305 WeakPolarHBondContact O-CB 3.33Å; Y297-N305 CarbonylContact O-C 3.58Å; Q298-N305 WeakPolarHBondContact CA-OD1 3.19Å; Q298-N305 WeakPolarHBondContact CB-OD1 3.33Å; Q298-N305 WeakPolarHBondContact CG-OD1 3.48Å; P303-N305 PolarHBondContact O-N 2.96Å
306	F	79.9	Confident	80.1	Confident	28 Å²	28	77.4 Å²	77.4	12%	0.123	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.3	-178.4	-62.1	-88.2	0	0	0	111.2	R295 Y297 C299 K304 H308 L312 H315	R295-F306 CarbonylContact C-O 3.52Å; R295-F306 VanDerWaalsContact C-O 3.25Å; R295-F306 WeakPolarHBondContact CA-O 3.47Å; Y297-F306 WeakPolarHBondContact CB-O 3.47Å; Y297-F306 PolarHBondContact N-O 3.47Å; Y297-F306 WeakPolarHBondContact O-CD2 3.28Å; Y297-F306 PolarHBondContact O-N 3.38Å; C299-F306 HydrophobicContact CB-CE2 4.29Å; K304-F306 HydrophobicContact CB-CE2 3.65Å; K304-F306 HydrophobicContact CB-CZ 3.77Å; K304-F306 HydrophobicContact CD-CZ 4.38Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å; F306-H308 VanDerWaalsContact C-N 3.32Å; F306-L312 HydrophobicContact CB-CB 4.2Å; F306-L312 HydrophobicContact CD2-CB 3.91Å; F306-L312 HydrophobicContact CD2-CD1 3.77Å; F306-L312 HydrophobicContact CD2-CG 4.44Å; F306-L312 HydrophobicContact CE2-CD1 3.97Å; F306-L312 HydrophobicContact CG-CB 4.17Å; F306-H315 HydrophobicContact CE1-CB 3.79Å; F306-H315 HydrophobicContact CE2-CB 3.92Å; F306-H315 AromaticContact CE2-CD2 3.23Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.46Å; F306-H315 AromaticContact CE2-CG 3.66Å; F306-H315 HydrophobicContact CZ-CB 3.35Å; F306-H315 AromaticContact CZ-CD2 3.26Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.47Å; F306-H315 AromaticContact CZ-CG 3.18Å; F306-H315 AromaticContact CZ-ND1 3.94Å
307	A	80.4	Confident	80.1	Confident	31 Å²	31	79.5 Å²	79.5	26%	0.256	40%	0.397	S	S	.	.	S	Bend	trans	-66.1	-35.8	175.8	0	0	0	0	0	112	R289 Y297	R289-A307 PolarHBondContact NH1-O 2.89Å; R289-A307 VanDerWaalsContact NH1-O 3.09Å; Y297-A307 WeakPolarHBondContact CD2-O 3.18Å; Y297-A307 WeakPolarHBondContact CE2-O 3.4Å
308	H	83.2	Confident	79.9	Confident	63 Å²	63	78.5 Å²	78.5	29%	0.292	40%	0.4	S	S	.	.	S	Bend	trans	-125.2	144.4	-175.3	-54.6	171.6	0	0	0	112.1	S286 Y297 F306 T310 S311 L312	S286-H308 PolarHBondContact OG-CE1 3.46Å; S286-H308 PolarHBondContact OG-NE2 3.2Å; Y297-H308 VanDerWaalsContact CD2-C 3.4Å; F306-H308 VanDerWaalsContact C-N 3.32Å; H308-T310 VanDerWaalsContact C-N 3.26Å; H308-T310 PolarHBondContact O-N 3.18Å; H308-S311 WeakPolarHBondContact O-CB 3.45Å; H308-S311 PolarHBondContact O-N 3.49Å; H308-S311 VanDerWaalsContact O-N 3.12Å; H308-L312 PolarHBondContact O-N 2.93Å
309	A	82.8	Confident	79.8	Confident	35 Å²	35	74.3 Å²	74.3	29%	0.289	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-28.4	177.7	0	0	0	0	0	114	Y297 L312 R313	Y297-A309 HydrophobicContact CD1-CB 3.94Å; Y297-A309 HydrophobicContact CD2-CB 4.47Å; Y297-A309 VanDerWaalsContact CD2-N 3.34Å; Y297-A309 HydrophobicContact CE1-CB 3.79Å; Y297-A309 HydrophobicContact CE2-CB 4.3Å; Y297-A309 HydrophobicContact CG-CB 4.28Å; A309-L312 PolarHBondContact O-N 2.87Å; A309-R313 PolarHBondContact O-N 3.29Å
310	T	83.9	Confident	79.7	Confident	86 Å²	86	78.1 Å²	78.1	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-68	-37.5	175.2	48.9	0	0	0	0	111.6	H308 R313 Q314	H308-T310 VanDerWaalsContact C-N 3.26Å; H308-T310 PolarHBondContact O-N 3.18Å; T310-R313 PolarHBondContact O-N 3.48Å; T310-Q314 WeakPolarHBondContact O-CB 3.36Å; T310-Q314 PolarHBondContact O-N 3.17Å
311	S	85.2	Confident	79.4	Confident	43 Å²	43	75.6 Å²	75.6	30%	0.301	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-39.5	175.3	-54.6	0	0	0	0	111.6	H308 Q314 H315	H308-S311 WeakPolarHBondContact O-CB 3.45Å; H308-S311 PolarHBondContact O-N 3.49Å; H308-S311 VanDerWaalsContact O-N 3.12Å; S311-Q314 PolarHBondContact O-N 3.39Å; S311-H315 VanDerWaalsContact O-CB 3.31Å; S311-H315 WeakPolarHBondContact O-CB 3.28Å; S311-H315 PolarHBondContact O-N 3.4Å
312	L	81.7	Confident	79.1	Confident	22 Å²	22	74.3 Å²	74.3	12%	0.115	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-47.5	172.2	172.7	60.1	0	0	0	111.3	C299 F306 H308 A309 Q314 H315 Q316	C299-L312 VanDerWaalsContact CA-CD1 3.49Å; C299-L312 HydrophobicContact CB-CD1 3.65Å; F306-L312 HydrophobicContact CB-CB 4.2Å; F306-L312 HydrophobicContact CD2-CB 3.91Å; F306-L312 HydrophobicContact CD2-CD1 3.77Å; F306-L312 HydrophobicContact CD2-CG 4.44Å; F306-L312 HydrophobicContact CE2-CD1 3.97Å; F306-L312 HydrophobicContact CG-CB 4.17Å; H308-L312 PolarHBondContact O-N 2.93Å; A309-L312 PolarHBondContact O-N 2.87Å; L312-Q314 PolarHBondContact O-N 3.05Å; L312-H315 CarbonylContact O-C 3.5Å; L312-H315 WeakPolarHBondContact O-CB 3.33Å; L312-H315 PolarHBondContact O-N 3.43Å; L312-H315 VanDerWaalsContact O-N 3.13Å; L312-Q316 HydrophobicContact CD1-CG 3.99Å; L312-Q316 HydrophobicContact CG-CG 4.37Å; L312-Q316 WeakPolarHBondContact O-CG 3.37Å; L312-Q316 PolarHBondContact O-N 2.87Å
313	R	81.6	Confident	78.6	Confident	157 Å²	157	77.1 Å²	77.1	59%	0.592	39%	0.391	S	S	*	.	H	α-helix	trans	-60	-43.9	177.3	-87.9	-173.4	-81.1	171.8	-9.7	112.8	A309 T310 H315 Q316 H317	A309-R313 PolarHBondContact O-N 3.29Å; T310-R313 PolarHBondContact O-N 3.48Å; R313-H315 VanDerWaalsContact C-N 3.26Å; R313-H315 PolarHBondContact O-N 2.73Å; R313-Q316 PolarHBondContact O-N 3.31Å; R313-H317 PolarHBondContact O-N 3.27Å; R313-H317 VanDerWaalsContact O-N 3.09Å
314	Q	78.9	Confident	78	Confident	149 Å²	149	77.1 Å²	77.1	70%	0.696	38%	0.38	S	S	*	.	H	α-helix	trans	-63.4	-36.1	176.3	-172.3	176.4	20	0	0	111.5	T310 S311 L312 H317	T310-Q314 WeakPolarHBondContact O-CB 3.36Å; T310-Q314 PolarHBondContact O-N 3.17Å; S311-Q314 PolarHBondContact O-N 3.39Å; L312-Q314 PolarHBondContact O-N 3.05Å; Q314-H317 WeakPolarHBondContact O-CB 3.42Å; Q314-H317 PolarHBondContact O-N 2.83Å
315	H	79.5	Confident	77.8	Confident	19 Å²	19	75.5 Å²	75.5	9%	0.088	38%	0.382	C	S	.	.	H	α-helix	trans	-70.8	-39.5	174.2	167.4	58.2	0	0	0	112.9	C299 C302 F306 S311 L312 R313 H317 V318 H319	C299-H315 PolarHBondContact SG-NE2 3.28Å; C302-H315 PolarHBondContact SG-NE2 3.16Å; F306-H315 HydrophobicContact CE1-CB 3.79Å; F306-H315 HydrophobicContact CE2-CB 3.92Å; F306-H315 AromaticContact CE2-CD2 3.23Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.46Å; F306-H315 AromaticContact CE2-CG 3.66Å; F306-H315 HydrophobicContact CZ-CB 3.35Å; F306-H315 AromaticContact CZ-CD2 3.26Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.47Å; F306-H315 AromaticContact CZ-CG 3.18Å; F306-H315 AromaticContact CZ-ND1 3.94Å; S311-H315 VanDerWaalsContact O-CB 3.31Å; S311-H315 WeakPolarHBondContact O-CB 3.28Å; S311-H315 PolarHBondContact O-N 3.4Å; L312-H315 CarbonylContact O-C 3.5Å; L312-H315 WeakPolarHBondContact O-CB 3.33Å; L312-H315 PolarHBondContact O-N 3.43Å; L312-H315 VanDerWaalsContact O-N 3.13Å; R313-H315 VanDerWaalsContact C-N 3.26Å; R313-H315 PolarHBondContact O-N 2.73Å; H315-H317 PolarHBondContact O-N 3.12Å; H315-V318 WeakPolarHBondContact O-CA 3.37Å; H315-V318 WeakPolarHBondContact O-CB 3.45Å; H315-V318 PolarHBondContact O-N 3.35Å; H315-H319 AromaticContact CE1-CD2 3.79Å; H315-H319 AromaticContact CE1-NE2 3.25Å; H315-H319 PolarHBondContact CE1-NE2 3.41Å; H315-H319 AromaticContact NE2-CD2 3.63Å; H315-H319 AromaticContact NE2-NE2 3.09Å; H315-H319 PolarHBondContact NE2-NE2 3.26Å; H315-H319 PolarHBondContact O-N 3.25Å
316	Q	78.4	Confident	77.4	Confident	69 Å²	69	78.2 Å²	78.2	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-30.5	173.9	-73.3	172.5	-39.8	0	0	111.9	L312 R313 V318 H319 L320	L312-Q316 HydrophobicContact CD1-CG 3.99Å; L312-Q316 HydrophobicContact CG-CG 4.37Å; L312-Q316 WeakPolarHBondContact O-CG 3.37Å; L312-Q316 PolarHBondContact O-N 2.87Å; R313-Q316 PolarHBondContact O-N 3.31Å; Q316-V318 PolarHBondContact O-N 3.49Å; Q316-H319 WeakPolarHBondContact O-CB 3.03Å; Q316-H319 PolarHBondContact O-N 3.45Å; Q316-H319 VanDerWaalsContact O-N 3.13Å; Q316-L320 PolarHBondContact O-N 3.43Å
317	H	80.9	Confident	76.8	Confident	118 Å²	118	84.6 Å²	84.6	55%	0.546	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-26.5	169.4	-104	58.3	0	0	0	113.8	R313 Q314 H315 K321	R313-H317 PolarHBondContact O-N 3.27Å; R313-H317 VanDerWaalsContact O-N 3.09Å; Q314-H317 WeakPolarHBondContact O-CB 3.42Å; Q314-H317 PolarHBondContact O-N 2.83Å; H315-H317 PolarHBondContact O-N 3.12Å; H317-K321 WeakPolarHBondContact O-CB 3.19Å; H317-K321 WeakPolarHBondContact O-CG 3.36Å; H317-K321 PolarHBondContact O-N 3.31Å
318	V	79.9	Confident	76.2	Confident	69 Å²	69	89.7 Å²	89.7	42%	0.418	44%	0.437	S	S	.	.	H	α-helix	trans	-69	-41.8	172.9	-176.8	0	0	0	0	110	H315 Q316 K321 Q322	H315-V318 WeakPolarHBondContact O-CA 3.37Å; H315-V318 WeakPolarHBondContact O-CB 3.45Å; H315-V318 PolarHBondContact O-N 3.35Å; Q316-V318 PolarHBondContact O-N 3.49Å; V318-K321 PolarHBondContact O-N 3.25Å; V318-Q322 HydrophobicContact CG1-CG 4.43Å; V318-Q322 WeakPolarHBondContact O-CB 3.12Å; V318-Q322 VanDerWaalsContact O-CG 3.28Å; V318-Q322 WeakPolarHBondContact O-CG 3.27Å; V318-Q322 PolarHBondContact O-N 2.86Å
319	H	77.7	Confident	75.4	Confident	33 Å²	33	89 Å²	89	15%	0.153	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-43.3	173.8	-68.9	-61.2	0	0	0	111.8	L301 C302 H315 Q316 K321 Q322 E323	L301-H319 HydrophobicContact CD1-CB 3.82Å; C302-H319 PolarHBondContact SG-NE2 3.16Å; H315-H319 AromaticContact CE1-CD2 3.79Å; H315-H319 AromaticContact CE1-NE2 3.25Å; H315-H319 PolarHBondContact CE1-NE2 3.41Å; H315-H319 AromaticContact NE2-CD2 3.63Å; H315-H319 AromaticContact NE2-NE2 3.09Å; H315-H319 PolarHBondContact NE2-NE2 3.26Å; H315-H319 PolarHBondContact O-N 3.25Å; Q316-H319 WeakPolarHBondContact O-CB 3.03Å; Q316-H319 PolarHBondContact O-N 3.45Å; Q316-H319 VanDerWaalsContact O-N 3.13Å; H319-K321 VanDerWaalsContact C-N 3.32Å; H319-K321 PolarHBondContact O-N 3.14Å; H319-Q322 PolarHBondContact O-N 2.86Å; H319-E323 VanDerWaalsContact O-CB 3.31Å; H319-E323 WeakPolarHBondContact O-CB 2.97Å; H319-E323 PolarHBondContact O-N 3.43Å
320	L	74.4	Confident	74.5	Confident	82 Å²	82	93.2 Å²	93.2	43%	0.429	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-40.3	174.8	-68.5	170.7	0	0	0	112.1	Q316 E323 Q324	Q316-L320 PolarHBondContact O-N 3.43Å; L320-E323 PolarHBondContact O-N 3.46Å; L320-Q324 VanDerWaalsContact O-CB 3.31Å; L320-Q324 WeakPolarHBondContact O-CB 3.38Å; L320-Q324 VanDerWaalsContact O-CG 3.23Å; L320-Q324 WeakPolarHBondContact O-CG 3.5Å; L320-Q324 PolarHBondContact O-N 2.93Å
321	K	74.9	Confident	73.6	Confident	144 Å²	144	91.3 Å²	91.3	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-67.7	-39.7	175.7	-80.7	-172.4	175.6	-164.8	0	112.7	H317 V318 H319 Q324 S325	H317-K321 WeakPolarHBondContact O-CB 3.19Å; H317-K321 WeakPolarHBondContact O-CG 3.36Å; H317-K321 PolarHBondContact O-N 3.31Å; V318-K321 PolarHBondContact O-N 3.25Å; H319-K321 VanDerWaalsContact C-N 3.32Å; H319-K321 PolarHBondContact O-N 3.14Å; K321-Q324 PolarHBondContact O-N 3.22Å; K321-S325 WeakPolarHBondContact O-CB 3.36Å; K321-S325 PolarHBondContact O-N 3.23Å; K321-S325 PolarHBondContact O-OG 2.95Å
322	Q	69.9	Low	72.6	Confident	104 Å²	104	92.1 Å²	92.1	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.6	-75.2	174.1	-24.3	0	0	110.8	V318 H319 S325 M326	V318-Q322 HydrophobicContact CG1-CG 4.43Å; V318-Q322 WeakPolarHBondContact O-CB 3.12Å; V318-Q322 VanDerWaalsContact O-CG 3.28Å; V318-Q322 WeakPolarHBondContact O-CG 3.27Å; V318-Q322 PolarHBondContact O-N 2.86Å; H319-Q322 PolarHBondContact O-N 2.86Å; Q322-S325 PolarHBondContact O-N 3.25Å; Q322-S325 PolarHBondContact O-OG 3.33Å; Q322-M326 WeakPolarHBondContact O-CB 3.37Å; Q322-M326 VanDerWaalsContact O-CG 3.26Å; Q322-M326 WeakPolarHBondContact O-CG 3.48Å; Q322-M326 PolarHBondContact O-N 3.45Å
323	E	67.6	Low	71.5	Confident	84 Å²	84	93.1 Å²	93.1	39%	0.393	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.9	-168.9	-173.2	163.4	0	0	111.3	H319 L320 M326 R327	H319-E323 VanDerWaalsContact O-CB 3.31Å; H319-E323 WeakPolarHBondContact O-CB 2.97Å; H319-E323 PolarHBondContact O-N 3.43Å; L320-E323 PolarHBondContact O-N 3.46Å; E323-M326 PolarHBondContact O-N 2.99Å; E323-R327 WeakPolarHBondContact O-CB 3.41Å; E323-R327 PolarHBondContact O-N 3.47Å; E323-R327 IonicContact OE1-CZ 3.29Å; E323-R327 VanDerWaalsContact OE1-CZ 3.29Å; E323-R327 IonicContact OE1-NH1 2.69Å; E323-R327 PolarHBondContact OE1-NH1 3.18Å; E323-R327 IonicContact OE1-NH2 3.13Å; E323-R327 PolarHBondContact OE1-NH2 3.49Å; E323-R327 VanDerWaalsContact OE1-NH2 3.13Å
324	Q	67.8	Low	70.4	Confident	117 Å²	117	92.1 Å²	92.1	55%	0.547	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-41.8	174.1	-76.7	176.1	-9.3	0	0	112.2	L320 K321 R327 M328	L320-Q324 VanDerWaalsContact O-CB 3.31Å; L320-Q324 WeakPolarHBondContact O-CB 3.38Å; L320-Q324 VanDerWaalsContact O-CG 3.23Å; L320-Q324 WeakPolarHBondContact O-CG 3.5Å; L320-Q324 PolarHBondContact O-N 2.93Å; K321-Q324 PolarHBondContact O-N 3.22Å; Q324-R327 PolarHBondContact O-N 3.26Å; Q324-M328 WeakPolarHBondContact O-CB 3.49Å; Q324-M328 WeakPolarHBondContact O-CG 3.32Å; Q324-M328 PolarHBondContact O-N 3.48Å
325	S	70.3	Confident	69.3	Low	69 Å²	69	91.7 Å²	91.7	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-67.5	-38.2	177.2	70.7	0	0	0	0	111.6	K321 Q322 M328 A329	K321-S325 WeakPolarHBondContact O-CB 3.36Å; K321-S325 PolarHBondContact O-N 3.23Å; K321-S325 PolarHBondContact O-OG 2.95Å; Q322-S325 PolarHBondContact O-N 3.25Å; Q322-S325 PolarHBondContact O-OG 3.33Å; S325-M328 PolarHBondContact O-N 3.05Å; S325-A329 VanDerWaalsContact O-CB 3.23Å; S325-A329 WeakPolarHBondContact O-CB 3.2Å; S325-A329 PolarHBondContact O-N 3.49Å
326	M	66.3	Low	68.1	Low	121 Å²	121	95.7 Å²	95.7	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-42.1	174	-73.3	-169.1	79.8	0	0	111.4	Q322 E323 A329 M330	Q322-M326 WeakPolarHBondContact O-CB 3.37Å; Q322-M326 VanDerWaalsContact O-CG 3.26Å; Q322-M326 WeakPolarHBondContact O-CG 3.48Å; Q322-M326 PolarHBondContact O-N 3.45Å; E323-M326 PolarHBondContact O-N 2.99Å; M326-A329 PolarHBondContact O-N 3.28Å; M326-M330 WeakPolarHBondContact O-CB 3.21Å; M326-M330 WeakPolarHBondContact O-CG 3.42Å; M326-M330 PolarHBondContact O-N 3.22Å
327	R	66.9	Low	66.8	Low	161 Å²	161	99.9 Å²	99.9	61%	0.608	51%	0.51	S	S	*	.	H	α-helix	trans	-61.5	-44.2	173.1	-83.3	-165.7	179.1	102.1	6.1	112.4	E323 Q324 M330 A331	E323-R327 WeakPolarHBondContact O-CB 3.41Å; E323-R327 PolarHBondContact O-N 3.47Å; E323-R327 IonicContact OE1-CZ 3.29Å; E323-R327 VanDerWaalsContact OE1-CZ 3.29Å; E323-R327 IonicContact OE1-NH1 2.69Å; E323-R327 PolarHBondContact OE1-NH1 3.18Å; E323-R327 IonicContact OE1-NH2 3.13Å; E323-R327 PolarHBondContact OE1-NH2 3.49Å; E323-R327 VanDerWaalsContact OE1-NH2 3.13Å; Q324-R327 PolarHBondContact O-N 3.26Å; R327-M330 PolarHBondContact O-N 2.99Å; R327-A331 WeakPolarHBondContact O-CB 3.22Å; R327-A331 PolarHBondContact O-N 3.36Å
328	M	68.4	Low	65.8	Low	138 Å²	138	100.6 Å²	100.6	68%	0.68	52%	0.522	S	S	*	.	H	α-helix	trans	-66.9	-40.9	177.5	-74.2	-172	171.4	0	0	111.9	Q324 S325 A331 S332	Q324-M328 WeakPolarHBondContact O-CB 3.49Å; Q324-M328 WeakPolarHBondContact O-CG 3.32Å; Q324-M328 PolarHBondContact O-N 3.48Å; S325-M328 PolarHBondContact O-N 3.05Å; M328-A331 PolarHBondContact O-N 2.96Å; M328-S332 WeakPolarHBondContact O-CB 3.46Å; M328-S332 PolarHBondContact O-N 2.86Å; M328-S332 PolarHBondContact O-OG 3.05Å
329	A	66.1	Low	64.7	Low	50 Å²	50	100.8 Å²	100.8	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-38	176	0	0	0	0	0	112.2	S325 M326 A333	S325-A329 VanDerWaalsContact O-CB 3.23Å; S325-A329 WeakPolarHBondContact O-CB 3.2Å; S325-A329 PolarHBondContact O-N 3.49Å; M326-A329 PolarHBondContact O-N 3.28Å; A329-A333 VanDerWaalsContact O-CB 3.27Å; A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 2.87Å
330	M	63.2	Low	63.2	Low	122 Å²	122	102.8 Å²	102.8	60%	0.601	56%	0.556	S	S	*	*	H	α-helix	trans	-69.1	-41.1	174.2	-75.4	-172.9	153.9	0	0	112.1	M326 R327 A333 E334	M326-M330 WeakPolarHBondContact O-CB 3.21Å; M326-M330 WeakPolarHBondContact O-CG 3.42Å; M326-M330 PolarHBondContact O-N 3.22Å; R327-M330 PolarHBondContact O-N 2.99Å; M330-A333 PolarHBondContact O-N 2.97Å; M330-E334 WeakPolarHBondContact O-CG 3.46Å; M330-E334 PolarHBondContact O-N 2.75Å
331	A	65.8	Low	61.7	Low	46 Å²	46	102.9 Å²	102.9	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-43.2	173.7	0	0	0	0	0	111.9	R327 M328 A333 E334 E335	R327-A331 WeakPolarHBondContact O-CB 3.22Å; R327-A331 PolarHBondContact O-N 3.36Å; M328-A331 PolarHBondContact O-N 2.96Å; A331-A333 VanDerWaalsContact C-N 3.34Å; A331-A333 PolarHBondContact O-N 3.03Å; A331-E334 PolarHBondContact O-N 3.18Å; A331-E335 WeakPolarHBondContact O-CG 3.42Å; A331-E335 PolarHBondContact O-N 2.79Å
332	S	64.7	Low	60	Low	61 Å²	61	100.7 Å²	100.7	43%	0.427	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-35.8	173.5	-65.7	0	0	0	0	112.2	M328 E335 M336	M328-S332 WeakPolarHBondContact O-CB 3.46Å; M328-S332 PolarHBondContact O-N 2.86Å; M328-S332 PolarHBondContact O-OG 3.05Å; S332-E335 PolarHBondContact O-N 3.18Å; S332-M336 WeakPolarHBondContact O-CB 3.49Å; S332-M336 WeakPolarHBondContact O-CG 3.2Å; S332-M336 PolarHBondContact O-N 3.02Å
333	A	57.7	Low	58.9	Low	42 Å²	42	101.6 Å²	101.6	35%	0.347	58%	0.579	S	S	.	*	H	α-helix	trans	-67.9	-39.1	174.7	0	0	0	0	0	111.9	A329 M330 A331 M336 M337	A329-A333 VanDerWaalsContact O-CB 3.27Å; A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 2.87Å; M330-A333 PolarHBondContact O-N 2.97Å; A331-A333 VanDerWaalsContact C-N 3.34Å; A331-A333 PolarHBondContact O-N 3.03Å; A333-M336 PolarHBondContact O-N 2.89Å; A333-M337 WeakPolarHBondContact O-CB 3.49Å; A333-M337 VanDerWaalsContact O-CG 3.29Å; A333-M337 WeakPolarHBondContact O-CG 3.3Å; A333-M337 PolarHBondContact O-N 3.08Å
334	E	58.4	Low	57.6	Low	137 Å²	137	101.5 Å²	101.5	64%	0.64	59%	0.593	S	S	*	*	H	α-helix	trans	-62.1	-44.2	172.2	-76.4	175.6	174.5	0	0	111.1	M330 A331 M336 M337 V338	M330-E334 WeakPolarHBondContact O-CG 3.46Å; M330-E334 PolarHBondContact O-N 2.75Å; A331-E334 PolarHBondContact O-N 3.18Å; E334-M336 VanDerWaalsContact C-N 3.33Å; E334-M336 PolarHBondContact O-N 3.01Å; E334-M337 PolarHBondContact O-N 3.14Å; E334-V338 WeakPolarHBondContact O-CG2 3.44Å; E334-V338 PolarHBondContact O-N 3.44Å
335	E	56.7	Low	56.3	Low	140 Å²	140	100.1 Å²	100.1	65%	0.654	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-37.5	173.5	-74.6	-179.3	172.1	0	0	112.5	A331 S332 S339	A331-E335 WeakPolarHBondContact O-CG 3.42Å; A331-E335 PolarHBondContact O-N 2.79Å; S332-E335 PolarHBondContact O-N 3.18Å; E335-S339 PolarHBondContact O-N 3.46Å; E335-S339 PolarHBondContact O-OG 3.07Å
336	M	53.5	Low	54.7	Low	102 Å²	102	101 Å²	101	50%	0.502	59%	0.594	S	S	.	*	H	α-helix	trans	-71.7	-31.4	176	-72	179.7	87.8	0	0	112.8	S332 A333 E334 S339	S332-M336 WeakPolarHBondContact O-CB 3.49Å; S332-M336 WeakPolarHBondContact O-CG 3.2Å; S332-M336 PolarHBondContact O-N 3.02Å; A333-M336 PolarHBondContact O-N 2.89Å; E334-M336 VanDerWaalsContact C-N 3.33Å; E334-M336 PolarHBondContact O-N 3.01Å; M336-S339 WeakPolarHBondContact CA-OG 3.24Å; M336-S339 PolarHBondContact O-N 3.35Å; M336-S339 PolarHBondContact O-OG 3.45Å
337	M	51.8	Low	53.3	Low	157 Å²	157	104.3 Å²	104.3	77%	0.773	61%	0.608	S	S	*	*	H	α-helix	trans	-72.8	-33.8	174.8	-75.8	-175.3	178.5	0	0	112.2	A333 E334 S339	A333-M337 WeakPolarHBondContact O-CB 3.49Å; A333-M337 VanDerWaalsContact O-CG 3.29Å; A333-M337 WeakPolarHBondContact O-CG 3.3Å; A333-M337 PolarHBondContact O-N 3.08Å; E334-M337 PolarHBondContact O-N 3.14Å; M337-S339 VanDerWaalsContact C-N 3.26Å; M337-S339 PolarHBondContact O-N 3.42Å
338	V	59.5	Low	52	Low	134 Å²	134	101.4 Å²	101.4	81%	0.812	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-28.5	171.7	174.7	0	0	0	0	111.7	E334	E334-V338 WeakPolarHBondContact O-CG2 3.44Å; E334-V338 PolarHBondContact O-N 3.44Å
339	S	57.2	Low	50.3	Low	73 Å²	73	99 Å²	99	51%	0.51	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	16.4	-177.1	49.8	0	0	0	0	115	E335 M336 M337 S341	E335-S339 PolarHBondContact O-N 3.46Å; E335-S339 PolarHBondContact O-OG 3.07Å; M336-S339 WeakPolarHBondContact CA-OG 3.24Å; M336-S339 PolarHBondContact O-N 3.35Å; M336-S339 PolarHBondContact O-OG 3.45Å; M337-S339 VanDerWaalsContact C-N 3.26Å; M337-S339 PolarHBondContact O-N 3.42Å; S339-S341 PolarHBondContact O-N 3.02Å; S339-S341 PolarHBondContact O-OG 3.32Å; S339-S341 VanDerWaalsContact O-OG 3.05Å
340	G	46.3	Very low	48.5	Very low	75 Å²	75	102.4 Å²	102.4	77%	0.773	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.6	24	161.4	0	0	0	0	0	116.2
341	S	42.3	Very low	46.9	Very low	84 Å²	84	103.8 Å²	103.8	59%	0.587	61%	0.612	S	S	*	*			trans	-94	126.7	-172.8	-64.1	0	0	0	0	111.6	S339	S339-S341 PolarHBondContact O-N 3.02Å; S339-S341 PolarHBondContact O-OG 3.32Å; S339-S341 VanDerWaalsContact O-OG 3.05Å
342	S	40.3	Very low	45.4	Very low	98 Å²	98	107.2 Å²	107.2	69%	0.685	63%	0.628	S	S	*	*			trans	-56.7	142.4	-176.5	75.6	0	0	0	0	113.8	A344	S342-A344 PolarHBondContact O-N 3.43Å
343	V	45.3	Very low	44	Very low	123 Å²	123	112.8 Å²	112.8	75%	0.745	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-65.3	-3.8	-170.4	-168.5	0	0	0	0	114.2	S345 L346	V343-S345 VanDerWaalsContact C-N 3.29Å; V343-S345 PolarHBondContact O-N 3.38Å; V343-L346 HydrophobicContact CG1-CD1 4.19Å
344	A	41.3	Very low	42.7	Very low	82 Å²	82	114.9 Å²	114.9	68%	0.678	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-71.8	-16.1	-176.4	0	0	0	0	0	114.6	S342	S342-A344 PolarHBondContact O-N 3.43Å
345	S	40.6	Very low	41.2	Very low	87 Å²	87	113.4 Å²	113.4	61%	0.608	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-87	-1.1	-176.5	-149.9	0	0	0	0	114.9	V343 Q347 S348	V343-S345 VanDerWaalsContact C-N 3.29Å; V343-S345 PolarHBondContact O-N 3.38Å; S345-Q347 VanDerWaalsContact C-N 3.26Å; S345-Q347 PolarHBondContact O-N 3.45Å; S345-S348 PolarHBondContact O-OG 3.36Å
346	L	36	Very low	40	Very low	87 Å²	87	113.7 Å²	113.7	46%	0.455	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-74.8	-7.6	179.9	-99.1	142.6	0	0	0	114.6	V343 S348 I349	V343-L346 HydrophobicContact CG1-CD1 4.19Å; L346-S348 VanDerWaalsContact C-N 3.29Å; L346-S348 PolarHBondContact O-N 2.97Å; L346-I349 HydrophobicContact CD2-CD1 4.3Å
347	Q	38.1	Very low	38.9	Very low	191 Å²	191	117.9 Å²	117.9	89%	0.893	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-78.1	-7.5	177.4	-77.3	-177.1	-25.3	0	0	114.4	S345	S345-Q347 VanDerWaalsContact C-N 3.26Å; S345-Q347 PolarHBondContact O-N 3.45Å
348	S	39.6	Very low	38.1	Very low	100 Å²	100	116.1 Å²	116.1	70%	0.699	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-93.8	-1.4	179.3	64.2	0	0	0	0	114.4	S345 L346 D350	S345-S348 PolarHBondContact O-OG 3.36Å; L346-S348 VanDerWaalsContact C-N 3.29Å; L346-S348 PolarHBondContact O-N 2.97Å; S348-D350 PolarHBondContact O-N 2.94Å
349	I	31	Very low	36.8	Very low	89 Å²	89	113.1 Å²	113.1	46%	0.456	69%	0.689	S	S	.	*	S	Bend	trans	-89.5	108.2	173.9	-59.2	175	0	0	0	108.1	L346 W351	L346-I349 HydrophobicContact CD2-CD1 4.3Å; I349-W351 HydrophobicContact CG2-CZ2 4.48Å; I349-W351 PolarHBondContact O-N 3.37Å
350	D	28.5	Very low	35.3	Very low	121 Å²	121	113.7 Å²	113.7	65%	0.647	71%	0.707	S	S	*	*			trans	-63	101.7	172.3	177.4	9	0	0	0	110.4	S348 T352	S348-D350 PolarHBondContact O-N 2.94Å; D350-T352 VanDerWaalsContact C-N 3.25Å; D350-T352 VanDerWaalsContact CG-OG1 3.25Å; D350-T352 PolarHBondContact O-N 3.14Å; D350-T352 VanDerWaalsContact OD1-CB 3.28Å; D350-T352 WeakPolarHBondContact OD1-CB 3.4Å; D350-T352 WeakPolarHBondContact OD1-CG2 3.37Å; D350-T352 PolarHBondContact OD1-N 3Å; D350-T352 VanDerWaalsContact OD1-N 3.13Å; D350-T352 PolarHBondContact OD1-OG1 3.35Å; D350-T352 PolarHBondContact OD2-OG1 3.13Å
351	W	31.4	Very low	34.4	Very low	150 Å²	150	116.3 Å²	116.3	57%	0.568	71%	0.708	S	S	*	*			trans	-85.5	31.5	177.9	-71.7	94.1	0	0	0	113.3	I349 L353 T354	I349-W351 HydrophobicContact CG2-CZ2 4.48Å; I349-W351 PolarHBondContact O-N 3.37Å; W351-L353 PolarHBondContact O-N 3.29Å; W351-T354 HydrophobicContact CE3-CG2 4.45Å; W351-T354 PolarHBondContact O-N 3.18Å; W351-T354 PolarHBondContact O-OG1 3.46Å
352	T	33.2	Very low	33.6	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.724	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	13.1	176.9	47.7	0	0	0	0	115.9	D350	D350-T352 VanDerWaalsContact C-N 3.25Å; D350-T352 VanDerWaalsContact CG-OG1 3.25Å; D350-T352 PolarHBondContact O-N 3.14Å; D350-T352 VanDerWaalsContact OD1-CB 3.28Å; D350-T352 WeakPolarHBondContact OD1-CB 3.4Å; D350-T352 WeakPolarHBondContact OD1-CG2 3.37Å; D350-T352 PolarHBondContact OD1-N 3Å; D350-T352 VanDerWaalsContact OD1-N 3.13Å; D350-T352 PolarHBondContact OD1-OG1 3.35Å; D350-T352 PolarHBondContact OD2-OG1 3.13Å
353	L	35.2	Very low	32.9	Very low	178 Å²	178	121.8 Å²	121.8	93%	0.932	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	3.3	159.6	-104.6	109.2	0	0	0	114.8	W351	W351-L353 PolarHBondContact O-N 3.29Å
354	T	30.1	Very low	32.1	Very low	86 Å²	86	121.5 Å²	121.5	53%	0.528	72%	0.718	S	S	.	*	S	Bend	trans	-129.5	121.1	179.8	54.8	0	0	0	0	112.5	W351	W351-T354 HydrophobicContact CE3-CG2 4.45Å; W351-T354 PolarHBondContact O-N 3.18Å; W351-T354 PolarHBondContact O-OG1 3.46Å
355	S	27.8	Very low	31.6	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	73%	0.726	S	S	*	*			trans	73.5	105.3	165.8	-164.2	0	0	0	0	118.1	Q357	S355-Q357 PolarHBondContact O-N 2.86Å
356	D	31.3	Very low	31.4	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	73%	0.727	S	S	*	*			trans	-42.9	121.1	156.1	-64.9	-54.3	0	0	0	112.3
357	Q	29.8	Very low	31.5	Very low	189 Å²	189	124.9 Å²	124.9	88%	0.883	73%	0.733	S	S	*	*			trans	-127.3	83.8	149.5	-71	-169	11.6	0	0	107.7	S355	S355-Q357 PolarHBondContact O-N 2.86Å
358	S	34.8	Very low	31.5	Very low	121 Å²	121	119.4 Å²	119.4	85%	0.846	72%	0.72	S	S	*	*			trans	-78.1	121.3	164.8	52.9	0	0	0	0	109.1
359	G	32.6	Very low	31.6	Very low	70 Å²	70	117.1 Å²	117.1	72%	0.722	71%	0.707	S	S	*	*			trans	125.3	75.6	159.7	0	0	0	0	0	114.4	T361	G359-T361 PolarHBondContact O-N 3.23Å
360	G	26	Very low	32.3	Very low	86 Å²	86	117.1 Å²	117.1	89%	0.887	71%	0.711	S	S	*	*			trans	-71.3	104.4	156.1	0	0	0	0	0	109.3
361	T	27	Very low	32.8	Very low	130 Å²	130	117.3 Å²	117.3	80%	0.798	71%	0.712	S	S	*	*			trans	-125	126.8	150.4	51.8	0	0	0	0	107	G359	G359-T361 PolarHBondContact O-N 3.23Å
362	S	26.5	Very low	33.5	Very low	114 Å²	114	117.2 Å²	117.2	80%	0.797	72%	0.717	S	S	*	*			trans	-50.3	129.8	-177	49.4	0	0	0	0	113.1
363	F	24.3	Very low	33.9	Very low	183 Å²	183	118.4 Å²	118.4	80%	0.803	72%	0.715	S	S	*	*	S	Bend	trans	49.1	132.4	137.3	-137.7	-115.5	0	0	0	119.4
364	D	29.1	Very low	34.3	Very low	116 Å²	116	116.5 Å²	116.5	62%	0.62	71%	0.705	S	S	*	*			trans	73.4	78.8	166.1	-59	-20.6	0	0	0	118.4
365	Q	31.2	Very low	34.7	Very low	183 Å²	183	119.2 Å²	119.2	86%	0.855	72%	0.715	S	S	*	*			trans	-155.4	121.3	131.6	-106	154.9	53.8	0	0	110.9
366	S	36.6	Very low	35.5	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	71%	0.712	S	S	*	*			trans	-33.5	125.6	-179.5	50.6	0	0	0	0	114.8	A368 A369	S366-A368 PolarHBondContact O-N 2.59Å; S366-A369 PolarHBondContact O-N 2.94Å; S366-A369 VanDerWaalsContact O-N 3.1Å
367	G	37.3	Very low	35.9	Very low	56 Å²	56	125.8 Å²	125.8	58%	0.577	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-9.4	-176.8	0	0	0	0	0	116.7	A369 V370 L371	G367-A369 VanDerWaalsContact C-N 3.29Å; G367-A369 PolarHBondContact O-N 2.61Å; G367-V370 PolarHBondContact O-N 2.83Å; G367-L371 PolarHBondContact O-N 2.75Å
368	A	38.1	Very low	36.1	Very low	75 Å²	75	124 Å²	124	62%	0.62	71%	0.71	S	S	*	*	H	α-helix	trans	-62.1	-34.5	171.2	0	0	0	0	0	112.6	S366 L371 Q372	S366-A368 PolarHBondContact O-N 2.59Å; A368-L371 PolarHBondContact O-N 3.48Å; A368-Q372 PolarHBondContact O-N 3.11Å
369	A	41.5	Very low	35.9	Very low	53 Å²	53	123.1 Å²	123.1	44%	0.438	71%	0.71	S	S	.	*	H	α-helix	trans	-69.7	-35.5	179.6	0	0	0	0	0	112.5	S366 G367 Q372 Q373	S366-A369 PolarHBondContact O-N 2.94Å; S366-A369 VanDerWaalsContact O-N 3.1Å; G367-A369 VanDerWaalsContact C-N 3.29Å; G367-A369 PolarHBondContact O-N 2.61Å; A369-Q372 PolarHBondContact O-N 3.16Å; A369-Q373 PolarHBondContact O-N 3.11Å; A369-Q373 VanDerWaalsContact O-N 3.17Å
370	V	45.7	Very low	35.9	Very low	89 Å²	89	126 Å²	126	54%	0.539	71%	0.708	S	S	.	*	H	α-helix	trans	-68.3	-38.9	179.2	-178.8	0	0	0	0	111	G367 Q372 Q373 L374	G367-V370 PolarHBondContact O-N 2.83Å; V370-Q372 VanDerWaalsContact C-N 3.32Å; V370-Q372 PolarHBondContact O-N 2.83Å; V370-Q373 PolarHBondContact O-N 3.1Å; V370-L374 HydrophobicContact CG1-CD1 4.38Å; V370-L374 PolarHBondContact O-N 3.25Å
371	L	39.6	Very low	36.3	Very low	125 Å²	125	128.2 Å²	128.2	65%	0.654	70%	0.703	S	S	*	*	H	α-helix	trans	-66.4	-36.8	177.8	-138.2	93.3	0	0	0	111.8	G367 A368 Q373 L374	G367-L371 PolarHBondContact O-N 2.75Å; A368-L371 PolarHBondContact O-N 3.48Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-L374 PolarHBondContact O-N 3.1Å
372	Q	45.7	Very low	36.4	Very low	147 Å²	147	129.6 Å²	129.6	69%	0.687	70%	0.703	S	S	*	*	H	α-helix	trans	-72.8	-26.2	179.2	-153.2	160.1	36	0	0	112.4	A368 A369 V370	A368-Q372 PolarHBondContact O-N 3.11Å; A369-Q372 PolarHBondContact O-N 3.16Å; V370-Q372 VanDerWaalsContact C-N 3.32Å; V370-Q372 PolarHBondContact O-N 2.83Å
373	Q	41.3	Very low	36.8	Very low	144 Å²	144	129.2 Å²	129.2	67%	0.673	70%	0.698	S	S	*	*	H	α-helix	trans	-79.9	-27.7	176.6	-161.5	156.3	2.4	0	0	113.2	A369 V370 L371 L375 R376	A369-Q373 PolarHBondContact O-N 3.11Å; A369-Q373 VanDerWaalsContact O-N 3.17Å; V370-Q373 PolarHBondContact O-N 3.1Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 2.92Å; Q373-R376 PolarHBondContact O-N 3.46Å
374	L	43.4	Very low	37.7	Very low	137 Å²	137	128.9 Å²	128.9	72%	0.717	70%	0.696	S	S	*	*	H	α-helix	trans	-71.7	-17.5	176.3	-79.3	164.2	0	0	0	114.1	V370 L371	V370-L374 HydrophobicContact CG1-CD1 4.38Å; V370-L374 PolarHBondContact O-N 3.25Å; L371-L374 PolarHBondContact O-N 3.1Å
375	L	39.6	Very low	38.7	Very low	143 Å²	143	133 Å²	133	75%	0.749	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-5.3	179	-73.2	168.2	0	0	0	114.2	Q373 K377	Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 2.92Å; L375-K377 PolarHBondContact O-N 3.02Å
376	R	44.2	Very low	40	Very low	179 Å²	179	129.2 Å²	129.2	68%	0.675	69%	0.685	S	S	*	*			trans	-83.5	100.9	172.9	-72.2	-174.8	179	142.6	1.4	109.4	Q373 E378	Q373-R376 PolarHBondContact O-N 3.46Å; R376-E378 PolarHBondContact O-N 3.33Å
377	K	39.8	Very low	41.8	Very low	213 Å²	213	127.3 Å²	127.3	93%	0.926	67%	0.666	S	S	*	*			trans	-64.2	58.3	170.7	-71.9	-179.8	175	174.5	0	112	L375	L375-K377 PolarHBondContact O-N 3.02Å
378	E	33.4	Very low	43.6	Very low	151 Å²	151	129.1 Å²	129.1	71%	0.706	67%	0.666	S	S	*	*			trans	-96	121.2	169.7	-70.3	-177.2	-175.9	0	0	108.5	R376 I380	R376-E378 PolarHBondContact O-N 3.33Å; E378-I380 VanDerWaalsContact C-N 3.26Å; E378-I380 PolarHBondContact O-N 3.33Å
379	A	31.5	Very low	45.7	Very low	102 Å²	102	125.9 Å²	125.9	84%	0.843	64%	0.639	S	S	*	*			trans	-65.6	84	179.8	0	0	0	0	0	110	V381	A379-V381 PolarHBondContact O-N 2.88Å
380	I	31.7	Very low	47.5	Very low	131 Å²	131	128.7 Å²	128.7	67%	0.672	65%	0.654	S	S	*	*			trans	-64.5	112.6	171.1	-59.4	173.9	0	0	0	106.8	E378 M382	E378-I380 VanDerWaalsContact C-N 3.26Å; E378-I380 PolarHBondContact O-N 3.33Å; I380-M382 VanDerWaalsContact C-N 3.3Å; I380-M382 PolarHBondContact O-N 3.49Å
381	V	34.2	Very low	49.1	Very low	132 Å²	132	127 Å²	127	80%	0.8	65%	0.646	S	S	*	*			trans	-50.8	99.6	160.8	173	0	0	0	0	107	A379 P383	A379-V381 PolarHBondContact O-N 2.88Å; V381-P383 VanDerWaalsContact O-CD 3.23Å; V381-P383 WeakPolarHBondContact O-CD 3.27Å; V381-P383 VanDerWaalsContact O-N 3.1Å
382	M	29.1	Very low	51	Low	159 Å²	159	124.2 Å²	124.2	78%	0.783	65%	0.647	S	S	*	*			trans	-59.4	115.3	179.6	-69.7	-113.6	147.3	0	0	108.5	I380	I380-M382 VanDerWaalsContact C-N 3.3Å; I380-M382 PolarHBondContact O-N 3.49Å
383	P	36.5	Very low	52.6	Low	106 Å²	106	123 Å²	123	69%	0.688	64%	0.64	S	S	*	*			trans	-62.7	148.7	-180	23.9	-30.9	0	0	0	109.8	V381 R385	V381-P383 VanDerWaalsContact O-CD 3.23Å; V381-P383 WeakPolarHBondContact O-CD 3.27Å; V381-P383 VanDerWaalsContact O-N 3.1Å; P383-R385 PolarHBondContact O-N 2.94Å; P383-R385 VanDerWaalsContact O-N 3.11Å
384	K	42.7	Very low	54	Low	177 Å²	177	118.9 Å²	118.9	77%	0.77	63%	0.626	S	S	*	*			trans	-45.5	122.8	177.9	-71.1	172.1	-178.4	165.3	0	108.5	E386	K384-E386 HydrophobicContact CB-CG 4.43Å; K384-E386 PolarHBondContact O-N 3.38Å
385	R	50.7	Low	55.5	Low	203 Å²	203	114.2 Å²	114.2	77%	0.766	60%	0.6	S	S	*	*			trans	-60.7	87.6	175.6	-67.7	-179.2	179.8	-160.8	-7.8	109	P383	P383-R385 PolarHBondContact O-N 2.94Å; P383-R385 VanDerWaalsContact O-N 3.11Å
386	E	56.8	Low	57.3	Low	103 Å²	103	111.7 Å²	111.7	48%	0.481	59%	0.593	S	S	.	*			trans	-91.9	124.2	177.6	-83.5	-175.3	-161.2	0	0	107.9	K384 T388 S394	K384-E386 HydrophobicContact CB-CG 4.43Å; K384-E386 PolarHBondContact O-N 3.38Å; E386-T388 PolarHBondContact O-N 3.2Å; E386-S394 WeakPolarHBondContact OE2-CB 3.46Å; E386-S394 PolarHBondContact OE2-OG 2.88Å
387	H	75.2	Confident	59	Low	48 Å²	48	110.7 Å²	110.7	22%	0.222	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.1	97.9	176.7	-58.7	-59.8	0	0	0	108.3	F395 M398 L401	H387-F395 HydrophobicContact CB-CB 4.47Å; H387-F395 WeakPolarHBondContact CB-O 3.39Å; H387-F395 PolarHBondContact N-O 3.18Å; H387-F395 WeakPolarHBondContact O-CD2 3.46Å; H387-F395 PolarHBondContact O-N 3.4Å; H387-M398 HydrophobicContact CB-SD 3.9Å; H387-M398 PolarHBondContact CD2-N 3.14Å; H387-M398 WeakPolarHBondContact CE1-CE 3.4Å; H387-M398 PolarHBondContact CE1-SD 2.88Å; H387-M398 WeakPolarHBondContact ND1-CE 3.48Å; H387-M398 PolarHBondContact ND1-SD 3.15Å; H387-M398 PolarHBondContact NE2-N 3.37Å; H387-L401 HydrophobicContact CB-CB 4Å; H387-L401 HydrophobicContact CB-CD2 3.82Å
388	T	75.8	Confident	60.9	Low	94 Å²	94	105.5 Å²	105.5	58%	0.577	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.8	135.9	-175	48.2	0	0	0	0	112.1	E386 K393	E386-T388 PolarHBondContact O-N 3.2Å; T388-K393 WeakPolarHBondContact CA-O 3.49Å
389	C	82.4	Confident	63.2	Low	8 Å²	8	102.5 Å²	102.5	5%	0.054	57%	0.566	C	S	.	*			trans	-86.5	157.5	169.1	-177.7	0	0	0	0	111	C391 G392 K393 F395 L401 H404 M405 H408	C389-C391 PolarHBondContact O-N 2.89Å; C389-G392 PolarHBondContact O-N 3.43Å; C389-K393 PolarHBondContact N-O 2.83Å; C389-F395 HydrophobicContact CB-CE2 4.1Å; C389-L401 HydrophobicContact CB-CD1 3.46Å; C389-L401 VanDerWaalsContact CB-CD1 3.46Å; C389-H404 PolarHBondContact SG-CD2 3.21Å; C389-H404 PolarHBondContact SG-NE2 3.2Å; C389-M405 HydrophobicContact CB-SD 4.27Å; C389-M405 PolarHBondContact SG-SD 2.89Å; C389-H408 VanDerWaalsContact SG-CD2 3.56Å; C389-H408 PolarHBondContact SG-NE2 3.39Å; C389-H408 VanDerWaalsContact SG-NE2 3.42Å
390	C	78.5	Confident	65.7	Low	112 Å²	112	99.2 Å²	99.2	76%	0.757	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.9	170.8	59.7	0	0	0	0	114.2	G392	C390-G392 VanDerWaalsContact C-N 3.26Å; C390-G392 PolarHBondContact O-N 3.3Å
391	C	80	Confident	68.1	Low	54 Å²	54	94 Å²	94	37%	0.365	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	8	172.6	73.1	0	0	0	0	114.9	C389 K393 H404 H408	C389-C391 PolarHBondContact O-N 2.89Å; C391-K393 VanDerWaalsContact C-N 3.3Å; C391-K393 PolarHBondContact O-N 3.09Å; C391-H404 PolarHBondContact SG-NE2 3.41Å; C391-H408 PolarHBondContact SG-NE2 3.18Å
392	G	79	Confident	70.5	Confident	66 Å²	66	91.2 Å²	91.2	68%	0.68	50%	0.495	S	S	*	.	S	Bend	trans	81.2	-0.3	-179.7	0	0	0	0	0	115	C389 C390	C389-G392 PolarHBondContact O-N 3.43Å; C390-G392 VanDerWaalsContact C-N 3.26Å; C390-G392 PolarHBondContact O-N 3.3Å
393	K	78.5	Confident	73.1	Confident	122 Å²	122	84.5 Å²	84.5	53%	0.53	47%	0.465	S	S	.	.			trans	-79.8	129	177	-68.7	176.2	-171.8	165.7	0	111.1	T388 C389 C391 F395	T388-K393 WeakPolarHBondContact CA-O 3.49Å; C389-K393 PolarHBondContact N-O 2.83Å; C391-K393 VanDerWaalsContact C-N 3.3Å; C391-K393 PolarHBondContact O-N 3.09Å; K393-F395 HydrophobicContact CB-CE2 3.64Å; K393-F395 HydrophobicContact CB-CZ 3.89Å; K393-F395 HydrophobicContact CD-CZ 4.44Å; K393-F395 WeakPolarHBondContact O-CE2 3.39Å
394	S	71.4	Confident	75.3	Confident	56 Å²	56	80.6 Å²	80.6	39%	0.392	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.1	171.2	58.1	0	0	0	0	112.9	E386	E386-S394 WeakPolarHBondContact OE2-CB 3.46Å; E386-S394 PolarHBondContact OE2-OG 2.88Å
395	F	74.7	Confident	77.2	Confident	39 Å²	39	75.5 Å²	75.5	17%	0.171	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	179.4	-63.6	-89.3	0	0	0	110.7	H387 C389 K393 Y397 A400 L401 H404	H387-F395 HydrophobicContact CB-CB 4.47Å; H387-F395 WeakPolarHBondContact CB-O 3.39Å; H387-F395 PolarHBondContact N-O 3.18Å; H387-F395 WeakPolarHBondContact O-CD2 3.46Å; H387-F395 PolarHBondContact O-N 3.4Å; C389-F395 HydrophobicContact CB-CE2 4.1Å; K393-F395 HydrophobicContact CB-CE2 3.64Å; K393-F395 HydrophobicContact CB-CZ 3.89Å; K393-F395 HydrophobicContact CD-CZ 4.44Å; K393-F395 WeakPolarHBondContact O-CE2 3.39Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 3.33Å; F395-A400 HydrophobicContact CB-CB 4.09Å; F395-A400 HydrophobicContact CD1-CB 3.98Å; F395-A400 HydrophobicContact CG-CB 4.38Å; F395-L401 HydrophobicContact CB-CB 4.06Å; F395-L401 HydrophobicContact CD2-CB 3.99Å; F395-L401 HydrophobicContact CD2-CD1 3.7Å; F395-L401 HydrophobicContact CD2-CG 4.46Å; F395-L401 HydrophobicContact CE2-CD1 4.03Å; F395-L401 HydrophobicContact CG-CB 4.17Å; F395-H404 HydrophobicContact CD1-CB 4.38Å; F395-H404 HydrophobicContact CE1-CB 3.61Å; F395-H404 AromaticContact CE1-CG 3.88Å; F395-H404 HydrophobicContact CE2-CB 3.79Å; F395-H404 AromaticContact CE2-CD2 3.16Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.37Å; F395-H404 AromaticContact CE2-CG 3.51Å; F395-H404 AromaticContact CE2-NE2 3.9Å; F395-H404 HydrophobicContact CZ-CB 3.29Å; F395-H404 AromaticContact CZ-CD2 3.23Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.35Å; F395-H404 AromaticContact CZ-CG 3.06Å; F395-H404 AromaticContact CZ-ND1 3.69Å; F395-H404 AromaticContact CZ-NE2 3.88Å
396	P	77.2	Confident	79	Confident	90 Å²	90	68.5 Å²	68.5	58%	0.584	39%	0.391	S	S	*	.	S	Bend	trans	-72.7	-19.1	-178.7	28.4	-35	0	0	0	113.4
397	Y	79.3	Confident	80.2	Confident	158 Å²	158	67.5 Å²	67.5	62%	0.62	40%	0.395	S	S	*	.	S	Bend	trans	-137.6	143.7	-179.2	-52.2	-68.4	0	0	0	110.2	F395 S399 A400 L401	F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 3.33Å; Y397-S399 PolarHBondContact O-N 3.43Å; Y397-A400 WeakPolarHBondContact O-CA 3.44Å; Y397-A400 WeakPolarHBondContact O-CB 3.48Å; Y397-A400 PolarHBondContact O-N 3.32Å; Y397-L401 PolarHBondContact O-N 3.03Å; Y397-L401 VanDerWaalsContact O-N 3.1Å
398	M	80.2	Confident	80.6	Confident	105 Å²	105	69.7 Å²	69.7	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-57	-37.6	177	-147.8	70.9	85.6	0	0	112	H387 A400 L401 V402	H387-M398 HydrophobicContact CB-SD 3.9Å; H387-M398 PolarHBondContact CD2-N 3.14Å; H387-M398 WeakPolarHBondContact CE1-CE 3.4Å; H387-M398 PolarHBondContact CE1-SD 2.88Å; H387-M398 WeakPolarHBondContact ND1-CE 3.48Å; H387-M398 PolarHBondContact ND1-SD 3.15Å; H387-M398 PolarHBondContact NE2-N 3.37Å; M398-A400 VanDerWaalsContact C-N 3.27Å; M398-A400 PolarHBondContact O-N 2.87Å; M398-L401 WeakPolarHBondContact O-CB 3.26Å; M398-L401 PolarHBondContact O-N 2.82Å; M398-L401 HydrophobicContact SD-CD2 4.35Å; M398-V402 WeakPolarHBondContact O-CG2 3.27Å; M398-V402 PolarHBondContact O-N 3.48Å
399	S	81.6	Confident	81	Confident	88 Å²	88	69 Å²	69	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-62.7	-31.8	175.7	58.8	0	0	0	0	113.4	Y397 A403	Y397-S399 PolarHBondContact O-N 3.43Å; S399-A403 VanDerWaalsContact O-CB 3.22Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.34Å
400	A	83.9	Confident	80.9	Confident	32 Å²	32	71 Å²	71	26%	0.264	42%	0.423	S	S	.	.	H	α-helix	trans	-74.7	-38.4	175	0	0	0	0	0	111.2	F395 Y397 M398 A403 H404	F395-A400 HydrophobicContact CB-CB 4.09Å; F395-A400 HydrophobicContact CD1-CB 3.98Å; F395-A400 HydrophobicContact CG-CB 4.38Å; Y397-A400 WeakPolarHBondContact O-CA 3.44Å; Y397-A400 WeakPolarHBondContact O-CB 3.48Å; Y397-A400 PolarHBondContact O-N 3.32Å; M398-A400 VanDerWaalsContact C-N 3.27Å; M398-A400 PolarHBondContact O-N 2.87Å; A400-A403 PolarHBondContact O-N 3.47Å; A400-H404 WeakPolarHBondContact O-CB 3.26Å; A400-H404 PolarHBondContact O-N 3.42Å
401	L	83	Confident	81.2	Confident	22 Å²	22	70.9 Å²	70.9	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-60.7	-52	170.5	174	60.5	0	0	0	110.8	H387 C389 F395 Y397 M398 A403 H404 M405	H387-L401 HydrophobicContact CB-CB 4Å; H387-L401 HydrophobicContact CB-CD2 3.82Å; C389-L401 HydrophobicContact CB-CD1 3.46Å; C389-L401 VanDerWaalsContact CB-CD1 3.46Å; F395-L401 HydrophobicContact CB-CB 4.06Å; F395-L401 HydrophobicContact CD2-CB 3.99Å; F395-L401 HydrophobicContact CD2-CD1 3.7Å; F395-L401 HydrophobicContact CD2-CG 4.46Å; F395-L401 HydrophobicContact CE2-CD1 4.03Å; F395-L401 HydrophobicContact CG-CB 4.17Å; Y397-L401 PolarHBondContact O-N 3.03Å; Y397-L401 VanDerWaalsContact O-N 3.1Å; M398-L401 WeakPolarHBondContact O-CB 3.26Å; M398-L401 PolarHBondContact O-N 2.82Å; M398-L401 HydrophobicContact SD-CD2 4.35Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 2.99Å; L401-H404 CarbonylContact O-C 3.29Å; L401-H404 WeakPolarHBondContact O-CA 3.35Å; L401-H404 VanDerWaalsContact O-CB 3.32Å; L401-H404 WeakPolarHBondContact O-CB 3.43Å; L401-H404 PolarHBondContact O-N 3.28Å; L401-M405 HydrophobicContact CD1-CG 4.16Å; L401-M405 HydrophobicContact CD1-SD 4.09Å; L401-M405 HydrophobicContact CG-CG 4.3Å; L401-M405 WeakPolarHBondContact O-CG 3.21Å; L401-M405 PolarHBondContact O-N 3.4Å
402	V	83.5	Confident	81.5	Confident	73 Å²	73	73.9 Å²	73.9	44%	0.442	42%	0.418	S	S	.	.	H	α-helix	trans	-57.9	-43.8	177.9	172.1	0	0	0	0	111.5	M398 H404 M405 R406	M398-V402 WeakPolarHBondContact O-CG2 3.27Å; M398-V402 PolarHBondContact O-N 3.48Å; V402-H404 PolarHBondContact O-N 3.19Å; V402-M405 PolarHBondContact O-N 3.07Å; V402-R406 PolarHBondContact O-N 2.95Å
403	A	84.3	Confident	81.8	Confident	19 Å²	19	73.5 Å²	73.5	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-64.1	-28.6	175.4	0	0	0	0	0	112.8	S399 A400 L401 Q425	S399-A403 VanDerWaalsContact O-CB 3.22Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.34Å; A400-A403 PolarHBondContact O-N 3.47Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 2.99Å; A403-Q425 HydrophobicContact CB-CG 4.21Å
404	H	82.2	Confident	82.5	Confident	24 Å²	24	70.8 Å²	70.8	11%	0.111	39%	0.392	C	S	.	.	H	α-helix	trans	-78.9	-36.9	172.6	168.5	63.5	0	0	0	113	C389 C391 F395 A400 L401 V402 R406 S407 H408	C389-H404 PolarHBondContact SG-CD2 3.21Å; C389-H404 PolarHBondContact SG-NE2 3.2Å; C391-H404 PolarHBondContact SG-NE2 3.41Å; F395-H404 HydrophobicContact CD1-CB 4.38Å; F395-H404 HydrophobicContact CE1-CB 3.61Å; F395-H404 AromaticContact CE1-CG 3.88Å; F395-H404 HydrophobicContact CE2-CB 3.79Å; F395-H404 AromaticContact CE2-CD2 3.16Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.37Å; F395-H404 AromaticContact CE2-CG 3.51Å; F395-H404 AromaticContact CE2-NE2 3.9Å; F395-H404 HydrophobicContact CZ-CB 3.29Å; F395-H404 AromaticContact CZ-CD2 3.23Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.35Å; F395-H404 AromaticContact CZ-CG 3.06Å; F395-H404 AromaticContact CZ-ND1 3.69Å; F395-H404 AromaticContact CZ-NE2 3.88Å; A400-H404 WeakPolarHBondContact O-CB 3.26Å; A400-H404 PolarHBondContact O-N 3.42Å; L401-H404 CarbonylContact O-C 3.29Å; L401-H404 WeakPolarHBondContact O-CA 3.35Å; L401-H404 VanDerWaalsContact O-CB 3.32Å; L401-H404 WeakPolarHBondContact O-CB 3.43Å; L401-H404 PolarHBondContact O-N 3.28Å; V402-H404 PolarHBondContact O-N 3.19Å; H404-R406 PolarHBondContact O-N 2.86Å; H404-R406 VanDerWaalsContact O-N 3.13Å; H404-S407 PolarHBondContact CE1-OG 3.12Å; H404-S407 PolarHBondContact ND1-OG 2.89Å; H404-S407 WeakPolarHBondContact O-CA 3.19Å; H404-S407 VanDerWaalsContact O-CB 3.26Å; H404-S407 WeakPolarHBondContact O-CB 3.23Å; H404-S407 PolarHBondContact O-N 2.93Å; H404-S407 PolarHBondContact O-OG 3.09Å; H404-H408 AromaticContact CE1-NE2 3.76Å; H404-H408 AromaticContact NE2-CD2 3.96Å; H404-H408 AromaticContact NE2-NE2 3.46Å; H404-H408 PolarHBondContact NE2-NE2 2.78Å
405	M	83.6	Confident	83.3	Confident	69 Å²	69	73.6 Å²	73.6	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-55.8	-31.6	175.8	-69.3	-56.4	-66.5	0	0	111.7	C389 L401 V402 S407 H408 T409	C389-M405 HydrophobicContact CB-SD 4.27Å; C389-M405 PolarHBondContact SG-SD 2.89Å; L401-M405 HydrophobicContact CD1-CG 4.16Å; L401-M405 HydrophobicContact CD1-SD 4.09Å; L401-M405 HydrophobicContact CG-CG 4.3Å; L401-M405 WeakPolarHBondContact O-CG 3.21Å; L401-M405 PolarHBondContact O-N 3.4Å; V402-M405 PolarHBondContact O-N 3.07Å; M405-S407 PolarHBondContact O-N 3.25Å; M405-S407 VanDerWaalsContact O-N 3.1Å; M405-H408 WeakPolarHBondContact O-CA 3.27Å; M405-H408 WeakPolarHBondContact O-CB 3.32Å; M405-H408 PolarHBondContact O-N 3.33Å; M405-T409 PolarHBondContact O-N 3.04Å
406	R	87.3	Confident	84.1	Confident	57 Å²	57	71.9 Å²	71.9	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-60.5	-17.2	171.8	-65.3	-179.4	-175.7	145.4	6.6	114.8	V402 H404 T409 G410 E411 A424	V402-R406 PolarHBondContact O-N 2.95Å; H404-R406 PolarHBondContact O-N 2.86Å; H404-R406 VanDerWaalsContact O-N 3.13Å; R406-T409 WeakPolarHBondContact CA-OG1 3.39Å; R406-G410 CarbonylContact O-C 3.59Å; R406-G410 VanDerWaalsContact O-CA 3.3Å; R406-G410 WeakPolarHBondContact O-CA 3.43Å; R406-G410 PolarHBondContact O-N 3Å; R406-E411 HydrophobicContact CG-CB 4.37Å; R406-A424 HydrophobicContact CB-CB 4.29Å; R406-A424 VanDerWaalsContact CD-O 3.31Å; R406-A424 WeakPolarHBondContact CD-O 3.41Å; R406-A424 PolarHBondContact NH1-O 3.3Å
407	S	82.8	Confident	84.6	Confident	81 Å²	81	77.9 Å²	77.9	57%	0.566	40%	0.403	S	S	*	.	H	α-helix	trans	-77.8	-22.9	171.3	71.3	0	0	0	0	113.1	H404 M405	H404-S407 PolarHBondContact CE1-OG 3.12Å; H404-S407 PolarHBondContact ND1-OG 2.89Å; H404-S407 WeakPolarHBondContact O-CA 3.19Å; H404-S407 VanDerWaalsContact O-CB 3.26Å; H404-S407 WeakPolarHBondContact O-CB 3.23Å; H404-S407 PolarHBondContact O-N 2.93Å; H404-S407 PolarHBondContact O-OG 3.09Å; M405-S407 PolarHBondContact O-N 3.25Å; M405-S407 VanDerWaalsContact O-N 3.1Å
408	H	83.4	Confident	85	Confident	95 Å²	95	76.3 Å²	76.3	44%	0.44	40%	0.4	S	S	.	.	H	α-helix	trans	-84.3	-45.2	170.7	-67.3	-67.5	0	0	0	111.3	C389 C391 H404 M405 G410	C389-H408 VanDerWaalsContact SG-CD2 3.56Å; C389-H408 PolarHBondContact SG-NE2 3.39Å; C389-H408 VanDerWaalsContact SG-NE2 3.42Å; C391-H408 PolarHBondContact SG-NE2 3.18Å; H404-H408 AromaticContact CE1-NE2 3.76Å; H404-H408 AromaticContact NE2-CD2 3.96Å; H404-H408 AromaticContact NE2-NE2 3.46Å; H404-H408 PolarHBondContact NE2-NE2 2.78Å; M405-H408 WeakPolarHBondContact O-CA 3.27Å; M405-H408 WeakPolarHBondContact O-CB 3.32Å; M405-H408 PolarHBondContact O-N 3.33Å; H408-G410 VanDerWaalsContact C-N 3.34Å
409	T	83.6	Confident	85.4	Confident	80 Å²	80	73 Å²	73	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-78.3	-18.3	-179.4	67.8	0	0	0	0	113.4	M405 R406 E411	M405-T409 PolarHBondContact O-N 3.04Å; R406-T409 WeakPolarHBondContact CA-OG1 3.39Å; T409-E411 PolarHBondContact O-N 2.83Å; T409-E411 WeakPolarHBondContact OG1-CG 3.25Å; T409-E411 PolarHBondContact OG1-N 2.86Å
410	G	81	Confident	85.6	Confident	49 Å²	49	77.1 Å²	77.1	51%	0.505	40%	0.396	S	S	.	.			trans	74.7	1.1	-177.2	0	0	0	0	0	114.4	R406 H408 K412	R406-G410 CarbonylContact O-C 3.59Å; R406-G410 VanDerWaalsContact O-CA 3.3Å; R406-G410 WeakPolarHBondContact O-CA 3.43Å; R406-G410 PolarHBondContact O-N 3Å; H408-G410 VanDerWaalsContact C-N 3.34Å; G410-K412 PolarHBondContact O-N 3.16Å
411	E	83.7	Confident	85.9	Confident	110 Å²	110	81.6 Å²	81.6	51%	0.514	41%	0.409	S	S	.	.			trans	-61.9	132.3	-177.2	-74.1	173.6	-153.9	0	0	112.7	R406 T409 P413	R406-E411 HydrophobicContact CG-CB 4.37Å; T409-E411 PolarHBondContact O-N 2.83Å; T409-E411 WeakPolarHBondContact OG1-CG 3.25Å; T409-E411 PolarHBondContact OG1-N 2.86Å; E411-P413 WeakPolarHBondContact O-CD 3.36Å
412	K	87.5	Confident	86.3	Confident	116 Å²	116	87.4 Å²	87.4	50%	0.504	43%	0.429	S	S	.	.			trans	-124.8	77.7	176.9	-68.4	173.9	-175.1	174.6	0	110.4	G410 F414 R422 F423	G410-K412 PolarHBondContact O-N 3.16Å; K412-F414 VanDerWaalsContact C-N 3.28Å; K412-F414 PolarHBondContact O-N 3.18Å; K412-R422 HydrophobicContact CB-CB 3.73Å; K412-R422 PolarHBondContact O-NE 3.44Å; K412-F423 CarbonylContact C-O 3.59Å; K412-F423 VanDerWaalsContact C-O 3.29Å; K412-F423 WeakPolarHBondContact CA-O 3.45Å
413	P	85.5	Confident	86.7	Confident	59 Å²	59	85.9 Å²	85.9	38%	0.383	42%	0.417	S	S	.	.			trans	-66.9	-27	-172.2	-22.6	34.9	0	0	0	113.9	E411 Q415	E411-P413 WeakPolarHBondContact O-CD 3.36Å; P413-Q415 PolarHBondContact O-N 3.06Å
414	F	92	Very high	86.9	Confident	64 Å²	64	86.5 Å²	86.5	28%	0.281	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	103.4	-169.9	-54.6	-76.5	0	0	0	111.4	K412 R422 F423 A424 K426 C429	K412-F414 VanDerWaalsContact C-N 3.28Å; K412-F414 PolarHBondContact O-N 3.18Å; F414-R422 CarbonylContact O-C 3.43Å; F414-R422 WeakPolarHBondContact O-CA 3.49Å; F414-F423 HydrophobicContact CB-CB 4.49Å; F414-F423 WeakPolarHBondContact CD2-O 3.35Å; F414-F423 PolarHBondContact N-O 3.41Å; F414-F423 PolarHBondContact O-N 3.2Å; F414-A424 WeakPolarHBondContact CE2-O 3.48Å; F414-K426 HydrophobicContact CD1-CB 3.78Å; F414-K426 HydrophobicContact CD1-CG 4.12Å; F414-K426 HydrophobicContact CD2-CB 4.27Å; F414-K426 HydrophobicContact CE1-CB 3.71Å; F414-K426 HydrophobicContact CE1-CD 4.31Å; F414-K426 HydrophobicContact CE1-CG 4.23Å; F414-K426 HydrophobicContact CE2-CB 4.18Å; F414-K426 VanDerWaalsContact CE2-N 3.3Å; F414-K426 HydrophobicContact CG-CB 4.07Å; F414-K426 HydrophobicContact CZ-CB 3.9Å; F414-C429 HydrophobicContact CB-CB 3.99Å
415	Q	89.8	Confident	87.2	Confident	115 Å²	115	89.4 Å²	89.4	54%	0.537	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.3	172.9	-171.7	170.7	0.1	0	0	111.2	P413 R422	P413-Q415 PolarHBondContact O-N 3.06Å; Q415-R422 HydrophobicContact CB-CG 4.06Å; Q415-R422 HydrophobicContact CG-CG 4.1Å
416	C	89.8	Confident	87.4	Confident	4 Å²	4	93.3 Å²	93.3	3%	0.027	45%	0.451	C	S	.	.			trans	-69.3	136.4	170.8	174.5	0	0	0	0	110.1	F418 C419 K421 F423 C429 H432	C416-F418 VanDerWaalsContact C-N 3.27Å; C416-F418 PolarHBondContact O-N 2.9Å; C416-F418 PolarHBondContact SG-N 2.65Å; C416-C419 WeakPolarHBondContact CB-O 3.33Å; C416-C419 VanDerWaalsContact SG-SG 3.6Å; C416-K421 WeakPolarHBondContact CB-O 3.4Å; C416-K421 PolarHBondContact N-O 3.35Å; C416-F423 HydrophobicContact CB-CE2 4.19Å; C416-C429 VanDerWaalsContact CA-SG 3.59Å; C416-H432 VanDerWaalsContact SG-CD2 3.56Å
417	R	87.9	Confident	87.5	Confident	216 Å²	216	93.8 Å²	93.8	82%	0.815	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.6	-179.8	-62.2	177.3	71.7	171.8	3.9	113.9	E433	R417-E433 WeakPolarHBondContact CG-OE1 3.35Å; R417-E433 PolarHBondContact N-OE1 3.38Å
418	F	87.2	Confident	87.9	Confident	125 Å²	125	92.9 Å²	92.9	55%	0.548	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.7	-175.3	-54.3	-75.6	0	0	0	114.5	C416 E433 H436 T437	C416-F418 VanDerWaalsContact C-N 3.27Å; C416-F418 PolarHBondContact O-N 2.9Å; C416-F418 PolarHBondContact SG-N 2.65Å; F418-E433 HydrophobicContact CD2-CB 4.47Å; F418-E433 HydrophobicContact CD2-CG 4.33Å; F418-E433 HydrophobicContact CE2-CB 4.42Å; F418-H436 HydrophobicContact CB-CB 3.9Å; F418-H436 HydrophobicContact CD2-CB 3.8Å; F418-H436 HydrophobicContact CG-CB 3.87Å; F418-T437 HydrophobicContact CE2-CG2 4.17Å; F418-T437 HydrophobicContact CZ-CG2 4.35Å
419	C	88.9	Confident	88.3	Confident	35 Å²	35	88.6 Å²	88.6	24%	0.236	44%	0.438	C	S	.	.	S	Bend	trans	-157.6	164.4	178.6	75.8	0	0	0	0	111.3	C416 K421 H432 H436	C416-C419 WeakPolarHBondContact CB-O 3.33Å; C416-C419 VanDerWaalsContact SG-SG 3.6Å; C419-K421 PolarHBondContact O-N 3.22Å; C419-H432 PolarHBondContact SG-NE2 3.37Å; C419-H436 PolarHBondContact SG-NE2 3.37Å; C419-H436 VanDerWaalsContact SG-NE2 3.36Å
420	E	87.4	Confident	88.7	Confident	174 Å²	174	89.4 Å²	89.4	81%	0.813	44%	0.437	S	S	*	.	S	Bend	trans	-70	1.5	-175.9	-62.4	174	-174.9	0	0	114.8	R422	E420-R422 PolarHBondContact O-N 2.61Å
421	K	90	Very high	89.2	Confident	127 Å²	127	89 Å²	89	55%	0.552	42%	0.424	S	S	*	.			trans	-70.3	127.4	-178.8	-67	179.7	-179	176.6	0	111	C416 C419 F423	C416-K421 WeakPolarHBondContact CB-O 3.4Å; C416-K421 PolarHBondContact N-O 3.35Å; C419-K421 PolarHBondContact O-N 3.22Å; K421-F423 HydrophobicContact CB-CE2 3.78Å; K421-F423 HydrophobicContact CB-CZ 3.99Å
422	R	90.7	Very high	89.4	Confident	143 Å²	143	85 Å²	85	54%	0.54	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148	174.2	-58.9	178.6	69.6	166	7.3	111.3	K412 F414 Q415 E420	K412-R422 HydrophobicContact CB-CB 3.73Å; K412-R422 PolarHBondContact O-NE 3.44Å; F414-R422 CarbonylContact O-C 3.43Å; F414-R422 WeakPolarHBondContact O-CA 3.49Å; Q415-R422 HydrophobicContact CB-CG 4.06Å; Q415-R422 HydrophobicContact CG-CG 4.1Å; E420-R422 PolarHBondContact O-N 2.61Å
423	F	91.4	Very high	89.6	Confident	42 Å²	42	81.1 Å²	81.1	18%	0.184	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.2	-175.2	-62.1	-91	0	0	0	111.5	K412 F414 C416 K421 Q425 C429 H432	K412-F423 CarbonylContact C-O 3.59Å; K412-F423 VanDerWaalsContact C-O 3.29Å; K412-F423 WeakPolarHBondContact CA-O 3.45Å; F414-F423 HydrophobicContact CB-CB 4.49Å; F414-F423 WeakPolarHBondContact CD2-O 3.35Å; F414-F423 PolarHBondContact N-O 3.41Å; F414-F423 PolarHBondContact O-N 3.2Å; C416-F423 HydrophobicContact CB-CE2 4.19Å; K421-F423 HydrophobicContact CB-CE2 3.78Å; K421-F423 HydrophobicContact CB-CZ 3.99Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 2.76Å; F423-C429 HydrophobicContact CB-CB 3.96Å; F423-C429 HydrophobicContact CD2-CB 3.66Å; F423-C429 HydrophobicContact CE2-CB 4.49Å; F423-C429 HydrophobicContact CG-CB 3.94Å; F423-H432 HydrophobicContact CE1-CB 3.82Å; F423-H432 HydrophobicContact CE2-CB 3.91Å; F423-H432 AromaticContact CE2-CD2 3.31Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.36Å; F423-H432 AromaticContact CE2-CG 3.7Å; F423-H432 HydrophobicContact CZ-CB 3.36Å; F423-H432 AromaticContact CZ-CD2 3.27Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.47Å; F423-H432 AromaticContact CZ-CG 3.19Å; F423-H432 AromaticContact CZ-ND1 3.95Å
424	A	89.1	Confident	89.8	Confident	31 Å²	31	80 Å²	80	26%	0.256	38%	0.377	S	S	.	.	S	Bend	trans	-71.5	-25.3	177.4	0	0	0	0	0	113.1	R406 F414	R406-A424 HydrophobicContact CB-CB 4.29Å; R406-A424 VanDerWaalsContact CD-O 3.31Å; R406-A424 WeakPolarHBondContact CD-O 3.41Å; R406-A424 PolarHBondContact NH1-O 3.3Å; F414-A424 WeakPolarHBondContact CE2-O 3.48Å
425	Q	88.5	Confident	89.5	Confident	85 Å²	85	81.5 Å²	81.5	40%	0.397	39%	0.392	S	S	.	.	S	Bend	trans	-129.8	137.1	-178.2	-62	-178.9	3.6	0	0	111.8	A403 F423 A427 T428 C429	A403-Q425 HydrophobicContact CB-CG 4.21Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 2.76Å; Q425-A427 VanDerWaalsContact C-N 3.3Å; Q425-A427 PolarHBondContact O-N 3.35Å; Q425-T428 HydrophobicContact CB-CG2 4.23Å; Q425-T428 PolarHBondContact O-N 2.95Å; Q425-T428 VanDerWaalsContact O-N 3.08Å; Q425-T428 PolarHBondContact O-OG1 2.91Å; Q425-C429 PolarHBondContact O-N 3.45Å; Q425-C429 VanDerWaalsContact O-N 3.13Å
426	K	88.9	Confident	89.3	Confident	152 Å²	152	79.9 Å²	79.9	66%	0.661	38%	0.384	S	S	*	.	H	α-helix	trans	-56.6	-41.9	178.5	-170.8	172.7	180	173.6	0	112.6	F414 T428 C429 H430	F414-K426 HydrophobicContact CD1-CB 3.78Å; F414-K426 HydrophobicContact CD1-CG 4.12Å; F414-K426 HydrophobicContact CD2-CB 4.27Å; F414-K426 HydrophobicContact CE1-CB 3.71Å; F414-K426 HydrophobicContact CE1-CD 4.31Å; F414-K426 HydrophobicContact CE1-CG 4.23Å; F414-K426 HydrophobicContact CE2-CB 4.18Å; F414-K426 VanDerWaalsContact CE2-N 3.3Å; F414-K426 HydrophobicContact CG-CB 4.07Å; F414-K426 HydrophobicContact CZ-CB 3.9Å; K426-T428 VanDerWaalsContact C-N 3.3Å; K426-T428 PolarHBondContact O-N 2.9Å; K426-C429 WeakPolarHBondContact O-CB 3.4Å; K426-C429 PolarHBondContact O-N 2.87Å; K426-H430 PolarHBondContact O-N 3.02Å
427	A	89.2	Confident	89	Confident	66 Å²	66	82.9 Å²	82.9	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-60.8	-38.5	178.3	0	0	0	0	0	112.5	Q425 V431	Q425-A427 VanDerWaalsContact C-N 3.3Å; Q425-A427 PolarHBondContact O-N 3.35Å; A427-V431 VanDerWaalsContact O-CG2 3.3Å; A427-V431 WeakPolarHBondContact O-CG2 3.39Å; A427-V431 PolarHBondContact O-N 3.42Å
428	T	91.3	Very high	88.8	Confident	62 Å²	62	75 Å²	75	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-70.6	-36.3	176.6	58.7	0	0	0	0	112.5	Q425 K426 H432	Q425-T428 HydrophobicContact CB-CG2 4.23Å; Q425-T428 PolarHBondContact O-N 2.95Å; Q425-T428 VanDerWaalsContact O-N 3.08Å; Q425-T428 PolarHBondContact O-OG1 2.91Å; K426-T428 VanDerWaalsContact C-N 3.3Å; K426-T428 PolarHBondContact O-N 2.9Å; T428-H432 WeakPolarHBondContact O-CB 3.1Å; T428-H432 PolarHBondContact O-N 3.18Å
429	C	91.7	Very high	88.5	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.034	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-50.9	172	-171.2	0	0	0	0	110.8	F414 C416 F423 Q425 K426 V431 H432 E433	F414-C429 HydrophobicContact CB-CB 3.99Å; C416-C429 VanDerWaalsContact CA-SG 3.59Å; F423-C429 HydrophobicContact CB-CB 3.96Å; F423-C429 HydrophobicContact CD2-CB 3.66Å; F423-C429 HydrophobicContact CE2-CB 4.49Å; F423-C429 HydrophobicContact CG-CB 3.94Å; Q425-C429 PolarHBondContact O-N 3.45Å; Q425-C429 VanDerWaalsContact O-N 3.13Å; K426-C429 WeakPolarHBondContact O-CB 3.4Å; K426-C429 PolarHBondContact O-N 2.87Å; C429-V431 VanDerWaalsContact C-N 3.32Å; C429-V431 PolarHBondContact O-N 3.17Å; C429-H432 CarbonylContact O-C 3.49Å; C429-H432 WeakPolarHBondContact O-CA 3.44Å; C429-H432 VanDerWaalsContact O-CB 3.28Å; C429-H432 WeakPolarHBondContact O-CB 3.46Å; C429-H432 PolarHBondContact O-N 3.22Å; C429-E433 WeakPolarHBondContact O-CG 3.41Å; C429-E433 PolarHBondContact O-N 3.49Å
430	H	90.8	Very high	88.4	Confident	98 Å²	98	79.6 Å²	79.6	45%	0.454	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-38.7	179.1	178.3	-95.5	0	0	0	113	K426 H432 E433	K426-H430 PolarHBondContact O-N 3.02Å; H430-H432 VanDerWaalsContact C-N 3.3Å; H430-E433 PolarHBondContact O-N 3.43Å
431	V	91.6	Very high	88.2	Confident	41 Å²	41	74.7 Å²	74.7	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-67.5	-33.1	173.4	169.9	0	0	0	0	111.7	A427 C429 R434 Q453	A427-V431 VanDerWaalsContact O-CG2 3.3Å; A427-V431 WeakPolarHBondContact O-CG2 3.39Å; A427-V431 PolarHBondContact O-N 3.42Å; C429-V431 VanDerWaalsContact C-N 3.32Å; C429-V431 PolarHBondContact O-N 3.17Å; V431-R434 WeakPolarHBondContact O-CB 3.43Å; V431-Q453 HydrophobicContact CG1-CG 3.56Å
432	H	89.2	Confident	88.3	Confident	25 Å²	25	72.4 Å²	72.4	12%	0.116	37%	0.373	C	S	.	.	H	α-helix	trans	-69.5	-38.4	172.3	167.5	62.7	0	0	0	112.2	C416 C419 F423 T428 C429 H430 R434 T435 H436	C416-H432 VanDerWaalsContact SG-CD2 3.56Å; C419-H432 PolarHBondContact SG-NE2 3.37Å; F423-H432 HydrophobicContact CE1-CB 3.82Å; F423-H432 HydrophobicContact CE2-CB 3.91Å; F423-H432 AromaticContact CE2-CD2 3.31Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.36Å; F423-H432 AromaticContact CE2-CG 3.7Å; F423-H432 HydrophobicContact CZ-CB 3.36Å; F423-H432 AromaticContact CZ-CD2 3.27Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.47Å; F423-H432 AromaticContact CZ-CG 3.19Å; F423-H432 AromaticContact CZ-ND1 3.95Å; T428-H432 WeakPolarHBondContact O-CB 3.1Å; T428-H432 PolarHBondContact O-N 3.18Å; C429-H432 CarbonylContact O-C 3.49Å; C429-H432 WeakPolarHBondContact O-CA 3.44Å; C429-H432 VanDerWaalsContact O-CB 3.28Å; C429-H432 WeakPolarHBondContact O-CB 3.46Å; C429-H432 PolarHBondContact O-N 3.22Å; H430-H432 VanDerWaalsContact C-N 3.3Å; H432-R434 PolarHBondContact O-N 3.43Å; H432-T435 PolarHBondContact CE1-OG1 3.22Å; H432-T435 PolarHBondContact ND1-OG1 3.36Å; H432-T435 WeakPolarHBondContact O-CB 3.48Å; H432-T435 WeakPolarHBondContact O-CG2 3.31Å; H432-T435 PolarHBondContact O-N 2.95Å; H432-T435 PolarHBondContact O-OG1 2.96Å; H432-H436 AromaticContact CE1-NE2 3.65Å; H432-H436 AromaticContact NE2-CD2 3.93Å; H432-H436 AromaticContact NE2-NE2 3.28Å; H432-H436 PolarHBondContact NE2-NE2 3.3Å
433	E	90.1	Very high	88	Confident	34 Å²	34	71 Å²	71	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-56.6	-28.1	178.2	-73.1	176	157	0	0	112.4	R417 F418 C429 H430 T435 H436 T437	R417-E433 WeakPolarHBondContact CG-OE1 3.35Å; R417-E433 PolarHBondContact N-OE1 3.38Å; F418-E433 HydrophobicContact CD2-CB 4.47Å; F418-E433 HydrophobicContact CD2-CG 4.33Å; F418-E433 HydrophobicContact CE2-CB 4.42Å; C429-E433 WeakPolarHBondContact O-CG 3.41Å; C429-E433 PolarHBondContact O-N 3.49Å; H430-E433 PolarHBondContact O-N 3.43Å; E433-T435 PolarHBondContact O-N 2.72Å; E433-T435 VanDerWaalsContact O-N 3.12Å; E433-H436 WeakPolarHBondContact O-CB 3.46Å; E433-H436 PolarHBondContact O-N 2.79Å; E433-T437 PolarHBondContact O-N 2.99Å; E433-T437 VanDerWaalsContact O-N 3.1Å
434	R	90.6	Very high	87.7	Confident	36 Å²	36	69.2 Å²	69.2	14%	0.136	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-18	171.3	-61.9	-178.3	177.7	163.1	1.6	114.8	V431 H432 H436 T437 G438 E439 S452	V431-R434 WeakPolarHBondContact O-CB 3.43Å; H432-R434 PolarHBondContact O-N 3.43Å; R434-H436 VanDerWaalsContact C-N 3.28Å; R434-T437 WeakPolarHBondContact CA-OG1 3.48Å; R434-G438 WeakPolarHBondContact O-CA 3.38Å; R434-G438 PolarHBondContact O-N 3.37Å; R434-E439 HydrophobicContact CG-CB 4.42Å; R434-S452 PolarHBondContact NH1-O 3.46Å
435	T	86.2	Confident	87.5	Confident	96 Å²	96	75.9 Å²	75.9	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-73.8	-23.9	172.8	66.7	0	0	0	0	112.4	H432 E433	H432-T435 PolarHBondContact CE1-OG1 3.22Å; H432-T435 PolarHBondContact ND1-OG1 3.36Å; H432-T435 WeakPolarHBondContact O-CB 3.48Å; H432-T435 WeakPolarHBondContact O-CG2 3.31Å; H432-T435 PolarHBondContact O-N 2.95Å; H432-T435 PolarHBondContact O-OG1 2.96Å; E433-T435 PolarHBondContact O-N 2.72Å; E433-T435 VanDerWaalsContact O-N 3.12Å
436	H	85.2	Confident	87.3	Confident	81 Å²	81	77 Å²	77	38%	0.375	39%	0.387	S	S	.	.	H	α-helix	trans	-88.9	-43.1	175.1	-59.5	-70	0	0	0	110.9	F418 C419 H432 E433 R434 G438	F418-H436 HydrophobicContact CB-CB 3.9Å; F418-H436 HydrophobicContact CD2-CB 3.8Å; F418-H436 HydrophobicContact CG-CB 3.87Å; C419-H436 PolarHBondContact SG-NE2 3.37Å; C419-H436 VanDerWaalsContact SG-NE2 3.36Å; H432-H436 AromaticContact CE1-NE2 3.65Å; H432-H436 AromaticContact NE2-CD2 3.93Å; H432-H436 AromaticContact NE2-NE2 3.28Å; H432-H436 PolarHBondContact NE2-NE2 3.3Å; E433-H436 WeakPolarHBondContact O-CB 3.46Å; E433-H436 PolarHBondContact O-N 2.79Å; R434-H436 VanDerWaalsContact C-N 3.28Å; H436-G438 VanDerWaalsContact C-N 3.31Å; H436-G438 PolarHBondContact O-N 3.24Å
437	T	84.2	Confident	87	Confident	67 Å²	67	71.3 Å²	71.3	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-76.4	-17.4	179.1	68.5	0	0	0	0	113.6	F418 E433 R434 E439	F418-T437 HydrophobicContact CE2-CG2 4.17Å; F418-T437 HydrophobicContact CZ-CG2 4.35Å; E433-T437 PolarHBondContact O-N 2.99Å; E433-T437 VanDerWaalsContact O-N 3.1Å; R434-T437 WeakPolarHBondContact CA-OG1 3.48Å; T437-E439 PolarHBondContact O-N 3.22Å; T437-E439 WeakPolarHBondContact OG1-CG 3.44Å; T437-E439 PolarHBondContact OG1-N 2.81Å
438	G	81.7	Confident	86.7	Confident	50 Å²	50	74.5 Å²	74.5	52%	0.515	37%	0.374	S	S	.	.			trans	71.4	4.8	-176.6	0	0	0	0	0	114.3	R434 H436 R440	R434-G438 WeakPolarHBondContact O-CA 3.38Å; R434-G438 PolarHBondContact O-N 3.37Å; H436-G438 VanDerWaalsContact C-N 3.31Å; H436-G438 PolarHBondContact O-N 3.24Å; G438-R440 PolarHBondContact O-N 2.86Å
439	E	82.4	Confident	86.3	Confident	109 Å²	109	79 Å²	79	51%	0.509	38%	0.384	S	S	.	.			trans	-63.9	128.6	-177.3	-74.5	-179.7	-167.1	0	0	112.4	R434 T437 P441	R434-E439 HydrophobicContact CG-CB 4.42Å; T437-E439 PolarHBondContact O-N 3.22Å; T437-E439 WeakPolarHBondContact OG1-CG 3.44Å; T437-E439 PolarHBondContact OG1-N 2.81Å; E439-P441 WeakPolarHBondContact O-CD 3.44Å
440	R	86.4	Confident	86.1	Confident	147 Å²	147	80.8 Å²	80.8	56%	0.555	40%	0.396	S	S	*	.			trans	-126.3	73.9	178.8	-66	168.3	76.9	150.5	2.5	110.4	G438 Y442 C450 F451	G438-R440 PolarHBondContact O-N 2.86Å; R440-Y442 PolarHBondContact O-N 3.23Å; R440-Y442 VanDerWaalsContact O-N 3.13Å; R440-C450 HydrophobicContact CB-CB 3.66Å; R440-C450 PolarHBondContact NE-O 3.38Å; R440-C450 PolarHBondContact NH2-O 2.91Å; R440-C450 WeakPolarHBondContact O-CB 3.45Å; R440-F451 CarbonylContact C-O 3.38Å; R440-F451 WeakPolarHBondContact CA-O 3.35Å
441	P	83.6	Confident	86	Confident	71 Å²	71	77.7 Å²	77.7	46%	0.461	38%	0.381	S	S	.	.			trans	-66.1	-20.1	-169	-22.2	34.5	0	0	0	114.6	E439	E439-P441 WeakPolarHBondContact O-CD 3.44Å
442	Y	90.8	Very high	85.8	Confident	79 Å²	79	77.7 Å²	77.7	31%	0.31	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	94.6	-171.4	-54	-75.6	0	0	0	111	R440 C450 F451 S452 Y454	R440-Y442 PolarHBondContact O-N 3.23Å; R440-Y442 VanDerWaalsContact O-N 3.13Å; Y442-C450 CarbonylContact O-C 3.25Å; Y442-C450 WeakPolarHBondContact O-CA 3.45Å; Y442-F451 WeakPolarHBondContact CD2-O 3.31Å; Y442-F451 PolarHBondContact N-O 3.16Å; Y442-F451 WeakPolarHBondContact O-CD2 3.42Å; Y442-F451 PolarHBondContact O-N 3.19Å; Y442-S452 WeakPolarHBondContact CE2-O 3.34Å; Y442-Y454 AromaticContact CD1-CD2 3.98Å; Y442-Y454 HydrophobicContact CD1-CD2 3.98Å; Y442-Y454 VanDerWaalsContact CD2-N 3.32Å; Y442-Y454 HydrophobicContact CE1-CD2 4.19Å; Y442-Y454 VanDerWaalsContact CE2-N 3.33Å
443	K	84.6	Confident	85.7	Confident	115 Å²	115	80.9 Å²	80.9	50%	0.5	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136	174.4	-176.1	174	179.3	170.6	0	111.9	D448 K457	K443-D448 WeakPolarHBondContact CE-OD1 3.35Å; K443-D448 IonicContact NZ-OD1 2.9Å; K443-D448 PolarHBondContact NZ-OD1 2.82Å; K443-K457 WeakPolarHBondContact O-CE 3.42Å
444	C	84.7	Confident	85.6	Confident	4 Å²	4	85.9 Å²	85.9	3%	0.027	42%	0.417	C	S	.	.			trans	-66.5	140.3	171.3	179.9	0	0	0	0	111.6	H446 C447 R449 F451 H460 H464	C444-H446 VanDerWaalsContact C-N 3.31Å; C444-H446 PolarHBondContact O-N 3.5Å; C444-H446 PolarHBondContact SG-N 3.4Å; C444-H446 VanDerWaalsContact SG-N 3.38Å; C444-C447 WeakPolarHBondContact CB-O 3.49Å; C444-R449 WeakPolarHBondContact CB-O 3.26Å; C444-R449 PolarHBondContact N-O 2.87Å; C444-F451 HydrophobicContact CB-CE2 4.21Å; C444-H460 VanDerWaalsContact SG-CD2 3.51Å; C444-H460 PolarHBondContact SG-NE2 3.08Å; C444-H464 VanDerWaalsContact SG-CD2 3.54Å; C444-H464 PolarHBondContact SG-NE2 3.25Å; C444-H464 VanDerWaalsContact SG-NE2 3.43Å
445	R	85.5	Confident	85.4	Confident	171 Å²	171	86.3 Å²	86.3	65%	0.645	43%	0.432	S	S	*	.	S	Bend	trans	-73.1	-19.8	177.4	-67.1	178.3	73.1	143.5	2.8	114.5	E461	R445-E461 WeakPolarHBondContact CG-OE1 3.35Å; R445-E461 PolarHBondContact N-OE1 2.74Å
446	H	83.9	Confident	85.5	Confident	107 Å²	107	84.7 Å²	84.7	50%	0.495	42%	0.422	S	S	.	.	S	Bend	trans	-112	-9.4	-171.6	-59.6	-71.3	0	0	0	113.9	C444 H464	C444-H446 VanDerWaalsContact C-N 3.31Å; C444-H446 PolarHBondContact O-N 3.5Å; C444-H446 PolarHBondContact SG-N 3.4Å; C444-H446 VanDerWaalsContact SG-N 3.38Å; H446-H464 HydrophobicContact CB-CB 3.77Å; H446-H464 AromaticContact CG-CG 3.94Å
447	C	83.6	Confident	85.5	Confident	33 Å²	33	81.9 Å²	81.9	22%	0.223	41%	0.409	C	S	.	.	S	Bend	trans	-154.2	169.7	173.8	72	0	0	0	0	111.1	C444 R449 H460 H464	C444-C447 WeakPolarHBondContact CB-O 3.49Å; C447-R449 PolarHBondContact O-N 2.98Å; C447-R449 VanDerWaalsContact O-N 3.08Å; C447-H460 PolarHBondContact SG-NE2 2.9Å; C447-H464 PolarHBondContact SG-NE2 2.99Å
448	D	82.3	Confident	85.6	Confident	134 Å²	134	80.4 Å²	80.4	72%	0.717	40%	0.402	S	S	*	.	S	Bend	trans	-79.2	15.6	-177.7	-62.5	-56.9	0	0	0	115	K443 C450	K443-D448 WeakPolarHBondContact CE-OD1 3.35Å; K443-D448 IonicContact NZ-OD1 2.9Å; K443-D448 PolarHBondContact NZ-OD1 2.82Å; D448-C450 PolarHBondContact O-N 2.77Å
449	R	82.5	Confident	85.6	Confident	157 Å²	157	80.3 Å²	80.3	59%	0.592	39%	0.391	S	S	*	.			trans	-76.5	126.3	174.7	-68.8	-179.4	179.5	163.5	2.9	111.2	C444 C447 F451	C444-R449 WeakPolarHBondContact CB-O 3.26Å; C444-R449 PolarHBondContact N-O 2.87Å; C447-R449 PolarHBondContact O-N 2.98Å; C447-R449 VanDerWaalsContact O-N 3.08Å; R449-F451 HydrophobicContact CB-CE2 3.76Å; R449-F451 HydrophobicContact CB-CZ 3.91Å; R449-F451 WeakPolarHBondContact O-CE2 3.47Å
450	C	87.8	Confident	85.6	Confident	41 Å²	41	76 Å²	76	28%	0.277	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.2	170.9	-61.3	0	0	0	0	111	R440 Y442 D448	R440-C450 HydrophobicContact CB-CB 3.66Å; R440-C450 PolarHBondContact NE-O 3.38Å; R440-C450 PolarHBondContact NH2-O 2.91Å; R440-C450 WeakPolarHBondContact O-CB 3.45Å; Y442-C450 CarbonylContact O-C 3.25Å; Y442-C450 WeakPolarHBondContact O-CA 3.45Å; D448-C450 PolarHBondContact O-N 2.77Å
451	F	88.4	Confident	85.4	Confident	33 Å²	33	70.3 Å²	70.3	15%	0.145	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.7	-177.9	-61.3	-94	0	0	0	110.5	R440 Y442 C444 R449 Q453 K457 H460	R440-F451 CarbonylContact C-O 3.38Å; R440-F451 WeakPolarHBondContact CA-O 3.35Å; Y442-F451 WeakPolarHBondContact CD2-O 3.31Å; Y442-F451 PolarHBondContact N-O 3.16Å; Y442-F451 WeakPolarHBondContact O-CD2 3.42Å; Y442-F451 PolarHBondContact O-N 3.19Å; C444-F451 HydrophobicContact CB-CE2 4.21Å; R449-F451 HydrophobicContact CB-CE2 3.76Å; R449-F451 HydrophobicContact CB-CZ 3.91Å; R449-F451 WeakPolarHBondContact O-CE2 3.47Å; F451-Q453 VanDerWaalsContact C-N 3.31Å; F451-K457 HydrophobicContact CB-CB 3.91Å; F451-K457 HydrophobicContact CD2-CB 3.7Å; F451-K457 HydrophobicContact CD2-CG 3.87Å; F451-K457 HydrophobicContact CG-CB 3.88Å; F451-H460 HydrophobicContact CE1-CB 3.84Å; F451-H460 HydrophobicContact CE2-CB 4Å; F451-H460 AromaticContact CE2-CD2 3.35Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.46Å; F451-H460 AromaticContact CE2-CG 3.79Å; F451-H460 HydrophobicContact CZ-CB 3.39Å; F451-H460 AromaticContact CZ-CD2 3.26Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.4Å; F451-H460 AromaticContact CZ-CG 3.22Å
452	S	87.5	Confident	85.3	Confident	42 Å²	42	70.3 Å²	70.3	29%	0.294	34%	0.343	S	S	.	.	S	Bend	trans	-73.3	-22	176.5	54.4	0	0	0	0	113.2	R434 Y442	R434-S452 PolarHBondContact NH1-O 3.46Å; Y442-S452 WeakPolarHBondContact CE2-O 3.34Å
453	Q	88.7	Confident	84.5	Confident	91 Å²	91	69.8 Å²	69.8	43%	0.425	35%	0.348	S	S	.	.	S	Bend	trans	-131.4	148.2	-178.5	-61.8	-178.9	25.6	0	0	111.9	V431 F451 T456 K457	V431-Q453 HydrophobicContact CG1-CG 3.56Å; F451-Q453 VanDerWaalsContact C-N 3.31Å; Q453-T456 PolarHBondContact O-OG1 3.49Å; Q453-K457 PolarHBondContact O-N 3.2Å
454	Y	87.5	Confident	84.1	Confident	139 Å²	139	68 Å²	68	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-39.2	179.4	-179.4	-93.9	0	0	0	112.4	Y442 T456 K457 S458	Y442-Y454 AromaticContact CD1-CD2 3.98Å; Y442-Y454 HydrophobicContact CD1-CD2 3.98Å; Y442-Y454 VanDerWaalsContact CD2-N 3.32Å; Y442-Y454 HydrophobicContact CE1-CD2 4.19Å; Y442-Y454 VanDerWaalsContact CE2-N 3.33Å; Y454-T456 PolarHBondContact O-N 3.34Å; Y454-K457 HydrophobicContact CD2-CD 4.45Å; Y454-K457 WeakPolarHBondContact O-CB 2.96Å; Y454-K457 PolarHBondContact O-N 3.27Å; Y454-S458 WeakPolarHBondContact O-CB 3.27Å; Y454-S458 PolarHBondContact O-N 3.41Å
455	G	85.8	Confident	83.7	Confident	45 Å²	45	73.1 Å²	73.1	46%	0.464	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-42.3	-179.9	0	0	0	0	0	112.8	S458 V459	G455-S458 PolarHBondContact O-N 2.57Å; G455-V459 WeakPolarHBondContact O-CG2 3.4Å; G455-V459 PolarHBondContact O-N 3.28Å
456	T	87.6	Confident	82.8	Confident	62 Å²	62	67.7 Å²	67.7	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-38.6	177.7	54.9	0	0	0	0	111.8	Q453 Y454 H460	Q453-T456 PolarHBondContact O-OG1 3.49Å; Y454-T456 PolarHBondContact O-N 3.34Å; T456-H460 WeakPolarHBondContact O-CB 3.37Å; T456-H460 PolarHBondContact O-N 3.2Å
457	K	86.6	Confident	81.7	Confident	23 Å²	23	65 Å²	65	10%	0.1	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-45.7	169.9	-176.2	-118.8	179.7	-155.7	0	112.1	K443 F451 Q453 Y454 H460 E461	K443-K457 WeakPolarHBondContact O-CE 3.42Å; F451-K457 HydrophobicContact CB-CB 3.91Å; F451-K457 HydrophobicContact CD2-CB 3.7Å; F451-K457 HydrophobicContact CD2-CG 3.87Å; F451-K457 HydrophobicContact CG-CB 3.88Å; Q453-K457 PolarHBondContact O-N 3.2Å; Y454-K457 HydrophobicContact CD2-CD 4.45Å; Y454-K457 WeakPolarHBondContact O-CB 2.96Å; Y454-K457 PolarHBondContact O-N 3.27Å; K457-H460 WeakPolarHBondContact O-CB 3.32Å; K457-H460 PolarHBondContact O-N 2.84Å; K457-E461 WeakPolarHBondContact CE-OE1 3.42Å; K457-E461 WeakPolarHBondContact CE-OE2 3.36Å; K457-E461 IonicContact NZ-OE1 2.74Å; K457-E461 PolarHBondContact NZ-OE1 2.96Å; K457-E461 IonicContact NZ-OE2 2.74Å; K457-E461 PolarHBondContact NZ-OE2 3.17Å; K457-E461 WeakPolarHBondContact O-CG 2.99Å; K457-E461 PolarHBondContact O-N 2.74Å
458	S	85.9	Confident	80.9	Confident	36 Å²	36	69.2 Å²	69.2	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-45.9	179.8	-179.4	0	0	0	0	112.2	Y454 G455 H460 E461 K462	Y454-S458 WeakPolarHBondContact O-CB 3.27Å; Y454-S458 PolarHBondContact O-N 3.41Å; G455-S458 PolarHBondContact O-N 2.57Å; S458-H460 VanDerWaalsContact C-N 3.28Å; S458-H460 PolarHBondContact O-N 3.11Å; S458-E461 PolarHBondContact O-N 2.98Å; S458-K462 PolarHBondContact O-N 3.35Å
459	V	82.7	Confident	80.4	Confident	47 Å²	47	68.1 Å²	68.1	29%	0.285	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-37.3	175.4	174.7	0	0	0	0	111.1	G455 K462	G455-V459 WeakPolarHBondContact O-CG2 3.4Å; G455-V459 PolarHBondContact O-N 3.28Å; V459-K462 PolarHBondContact O-N 3.44Å
460	H	82	Confident	80.3	Confident	19 Å²	19	64.1 Å²	64.1	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-66.6	-41.5	173.5	171.1	62.8	0	0	0	112.6	C444 C447 F451 T456 K457 S458 K462 T463 H464	C444-H460 VanDerWaalsContact SG-CD2 3.51Å; C444-H460 PolarHBondContact SG-NE2 3.08Å; C447-H460 PolarHBondContact SG-NE2 2.9Å; F451-H460 HydrophobicContact CE1-CB 3.84Å; F451-H460 HydrophobicContact CE2-CB 4Å; F451-H460 AromaticContact CE2-CD2 3.35Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.46Å; F451-H460 AromaticContact CE2-CG 3.79Å; F451-H460 HydrophobicContact CZ-CB 3.39Å; F451-H460 AromaticContact CZ-CD2 3.26Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.4Å; F451-H460 AromaticContact CZ-CG 3.22Å; T456-H460 WeakPolarHBondContact O-CB 3.37Å; T456-H460 PolarHBondContact O-N 3.2Å; K457-H460 WeakPolarHBondContact O-CB 3.32Å; K457-H460 PolarHBondContact O-N 2.84Å; S458-H460 VanDerWaalsContact C-N 3.28Å; S458-H460 PolarHBondContact O-N 3.11Å; H460-K462 PolarHBondContact O-N 3.42Å; H460-T463 PolarHBondContact ND1-OG1 3.06Å; H460-T463 WeakPolarHBondContact O-CA 3.41Å; H460-T463 VanDerWaalsContact O-CB 3.31Å; H460-T463 WeakPolarHBondContact O-CB 3.46Å; H460-T463 PolarHBondContact O-N 3.12Å; H460-T463 PolarHBondContact O-OG1 2.89Å; H460-H464 AromaticContact CD2-NE2 3.98Å; H460-H464 AromaticContact CE1-CD2 3.95Å; H460-H464 AromaticContact CE1-NE2 3.34Å; H460-H464 PolarHBondContact CE1-NE2 3.48Å; H460-H464 VanDerWaalsContact CE1-NE2 3.34Å; H460-H464 AromaticContact NE2-CD2 3.65Å; H460-H464 AromaticContact NE2-NE2 3.02Å; H460-H464 PolarHBondContact NE2-NE2 3.38Å
461	E	82	Confident	79.7	Confident	28 Å²	28	67 Å²	67	13%	0.131	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-34	177.9	-79.1	-178.1	154.6	0	0	112.6	R445 K457 S458 T463 H464 L465	R445-E461 WeakPolarHBondContact CG-OE1 3.35Å; R445-E461 PolarHBondContact N-OE1 2.74Å; K457-E461 WeakPolarHBondContact CE-OE1 3.42Å; K457-E461 WeakPolarHBondContact CE-OE2 3.36Å; K457-E461 IonicContact NZ-OE1 2.74Å; K457-E461 PolarHBondContact NZ-OE1 2.96Å; K457-E461 IonicContact NZ-OE2 2.74Å; K457-E461 PolarHBondContact NZ-OE2 3.17Å; K457-E461 WeakPolarHBondContact O-CG 2.99Å; K457-E461 PolarHBondContact O-N 2.74Å; S458-E461 PolarHBondContact O-N 2.98Å; E461-T463 PolarHBondContact O-N 3.48Å; E461-H464 PolarHBondContact O-N 2.77Å; E461-L465 PolarHBondContact O-N 2.75Å
462	K	80.9	Confident	79.4	Confident	71 Å²	71	65.4 Å²	65.4	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-27.2	172.2	-65.4	178.3	-176.2	-175.6	0	113	S458 V459 H460 L465 G466 V467	S458-K462 PolarHBondContact O-N 3.35Å; V459-K462 PolarHBondContact O-N 3.44Å; H460-K462 PolarHBondContact O-N 3.42Å; K462-L465 PolarHBondContact O-N 3.16Å; K462-G466 PolarHBondContact O-N 3.46Å; K462-V467 PolarHBondContact O-N 3.03Å; K462-V467 VanDerWaalsContact O-N 3.14Å
463	T	74.9	Confident	79.2	Confident	68 Å²	68	68 Å²	68	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-69.6	-30	176.2	70.9	0	0	0	0	113.1	H460 E461 G466	H460-T463 PolarHBondContact ND1-OG1 3.06Å; H460-T463 WeakPolarHBondContact O-CA 3.41Å; H460-T463 VanDerWaalsContact O-CB 3.31Å; H460-T463 WeakPolarHBondContact O-CB 3.46Å; H460-T463 PolarHBondContact O-N 3.12Å; H460-T463 PolarHBondContact O-OG1 2.89Å; E461-T463 PolarHBondContact O-N 3.48Å; T463-G466 PolarHBondContact O-N 2.9Å
464	H	75.5	Confident	78.7	Confident	76 Å²	76	68.3 Å²	68.3	35%	0.352	37%	0.373	S	S	.	.	H	α-helix	trans	-73.6	-32.9	175.2	-71.5	-74.7	0	0	0	112.7	C444 H446 C447 H460 E461 G466	C444-H464 VanDerWaalsContact SG-CD2 3.54Å; C444-H464 PolarHBondContact SG-NE2 3.25Å; C444-H464 VanDerWaalsContact SG-NE2 3.43Å; H446-H464 HydrophobicContact CB-CB 3.77Å; H446-H464 AromaticContact CG-CG 3.94Å; C447-H464 PolarHBondContact SG-NE2 2.99Å; H460-H464 AromaticContact CD2-NE2 3.98Å; H460-H464 AromaticContact CE1-CD2 3.95Å; H460-H464 AromaticContact CE1-NE2 3.34Å; H460-H464 PolarHBondContact CE1-NE2 3.48Å; H460-H464 VanDerWaalsContact CE1-NE2 3.34Å; H460-H464 AromaticContact NE2-CD2 3.65Å; H460-H464 AromaticContact NE2-NE2 3.02Å; H460-H464 PolarHBondContact NE2-NE2 3.38Å; E461-H464 PolarHBondContact O-N 2.77Å; H464-G466 PolarHBondContact O-N 3.34Å
465	L	76.9	Confident	78.4	Confident	113 Å²	113	64.5 Å²	64.5	59%	0.592	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.2	175.7	-58	176	0	0	0	112.1	E461 K462 V467	E461-L465 PolarHBondContact O-N 2.75Å; K462-L465 PolarHBondContact O-N 3.16Å; L465-V467 HydrophobicContact CB-CB 4.04Å; L465-V467 HydrophobicContact CB-CG2 3.49Å; L465-V467 VanDerWaalsContact CB-CG2 3.49Å; L465-V467 PolarHBondContact O-N 2.92Å
466	G	65.2	Low	78.1	Confident	57 Å²	57	69.1 Å²	69.1	59%	0.588	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	7.8	-170.5	0	0	0	0	0	113.4	K462 T463 H464 R468	K462-G466 PolarHBondContact O-N 3.46Å; T463-G466 PolarHBondContact O-N 2.9Å; H464-G466 PolarHBondContact O-N 3.34Å; G466-R468 PolarHBondContact O-N 3.24Å
467	V	61.7	Low	77.6	Confident	50 Å²	50	71.3 Å²	71.3	30%	0.303	38%	0.38	S	S	.	.			trans	-82.8	83.4	-172.6	176.3	0	0	0	0	108.3	K462 L465 N469	K462-V467 PolarHBondContact O-N 3.03Å; K462-V467 VanDerWaalsContact O-N 3.14Å; L465-V467 HydrophobicContact CB-CB 4.04Å; L465-V467 HydrophobicContact CB-CG2 3.49Å; L465-V467 VanDerWaalsContact CB-CG2 3.49Å; L465-V467 PolarHBondContact O-N 2.92Å; V467-N469 WeakPolarHBondContact CG1-ND2 3.36Å; V467-N469 WeakPolarHBondContact CG1-OD1 3.37Å
468	R	66.3	Low	77.2	Confident	121 Å²	121	74.1 Å²	74.1	46%	0.457	40%	0.395	S	S	.	.			trans	-100.2	67.3	172.3	-62.1	175.6	83.9	146.8	0.7	109.2	G466 Y470 M478 L479	G466-R468 PolarHBondContact O-N 3.24Å; R468-Y470 PolarHBondContact O-N 3.5Å; R468-M478 HydrophobicContact CB-CB 3.56Å; R468-M478 HydrophobicContact CG-CB 4.46Å; R468-M478 PolarHBondContact NE-O 2.94Å; R468-M478 PolarHBondContact NH2-O 3.13Å; R468-M478 WeakPolarHBondContact O-CE 3.49Å; R468-L479 CarbonylContact C-O 3.21Å; R468-L479 WeakPolarHBondContact CA-O 3.49Å
469	N	73	Confident	77	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	39%	0.387	S	S	*	.			trans	-67.8	-5.1	-168.4	-66.2	-6.2	0	0	0	115.8	V467	V467-N469 WeakPolarHBondContact CG1-ND2 3.36Å; V467-N469 WeakPolarHBondContact CG1-OD1 3.37Å
470	Y	80.2	Confident	76.9	Confident	72 Å²	72	72.6 Å²	72.6	28%	0.282	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	88.6	-173.7	-57.5	-76.5	0	0	0	109.4	R468 L479 P482	R468-Y470 PolarHBondContact O-N 3.5Å; Y470-L479 PolarHBondContact N-O 2.8Å; Y470-L479 WeakPolarHBondContact O-CB 3.4Å; Y470-L479 PolarHBondContact O-N 3.21Å; Y470-P482 HydrophobicContact CD1-CB 4.47Å; Y470-P482 HydrophobicContact CD1-CG 4.23Å; Y470-P482 HydrophobicContact CE1-CB 4.21Å; Y470-P482 HydrophobicContact CE1-CG 3.57Å; Y470-P482 HydrophobicContact CE2-CG 4.05Å; Y470-P482 VanDerWaalsContact CZ-CD 3.49Å; Y470-P482 VanDerWaalsContact CZ-CG 3.46Å
471	Q	75.5	Confident	76.9	Confident	102 Å²	102	72.6 Å²	72.6	48%	0.477	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136	175.3	-167.6	172.4	5.4	0	0	110.3	E476 M478	Q471-E476 HydrophobicContact CG-CB 4.39Å; Q471-M478 HydrophobicContact CB-SD 3.59Å; Q471-M478 VanDerWaalsContact CB-SD 3.59Å; Q471-M478 HydrophobicContact CG-SD 3.82Å
472	C	82.2	Confident	76.9	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.401	C	S	.	.			trans	-76.8	125.2	167.6	-164.8	0	0	0	0	110.2	T474 E476 K477 L485 H488 H492	C472-T474 PolarHBondContact O-N 3.03Å; C472-E476 WeakPolarHBondContact O-CA 3.42Å; C472-E476 PolarHBondContact O-N 3.16Å; C472-K477 HydrophobicContact CB-CB 4.46Å; C472-K477 PolarHBondContact N-O 3.33Å; C472-L485 HydrophobicContact CB-CD1 3.94Å; C472-H488 VanDerWaalsContact CB-CD2 3.44Å; C472-H488 WeakPolarHBondContact CB-CD2 3.29Å; C472-H488 VanDerWaalsContact CB-NE2 3.31Å; C472-H488 WeakPolarHBondContact CB-NE2 3.14Å; C472-H488 PolarHBondContact SG-CD2 3.39Å; C472-H488 PolarHBondContact SG-NE2 3.49Å; C472-H492 PolarHBondContact SG-CD2 3.13Å; C472-H492 PolarHBondContact SG-NE2 3.4Å
473	P	82.2	Confident	77.1	Confident	96 Å²	96	75.2 Å²	75.2	62%	0.623	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.1	177.7	-21.6	32.2	0	0	0	113.2
474	T	77.9	Confident	77.5	Confident	97 Å²	97	73.2 Å²	73.2	60%	0.595	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-25.6	-171.2	-42.5	0	0	0	0	114.1	C472 H492	C472-T474 PolarHBondContact O-N 3.03Å; T474-H492 HydrophobicContact CG2-CB 4Å
475	C	82.1	Confident	77.9	Confident	60 Å²	60	70.8 Å²	70.8	41%	0.405	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	10.9	179	70.5	0	0	0	0	114.4	K477 H488 H492	C475-K477 PolarHBondContact O-N 3.49Å; C475-K477 WeakPolarHBondContact SG-CB 3.34Å; C475-H488 PolarHBondContact SG-CE1 3.3Å; C475-H488 PolarHBondContact SG-NE2 3.25Å; C475-H492 VanDerWaalsContact CB-CE1 3.47Å; C475-H492 WeakPolarHBondContact CB-CE1 3.49Å; C475-H492 PolarHBondContact SG-CE1 3.36Å; C475-H492 PolarHBondContact SG-NE2 3.12Å
476	E	78.8	Confident	78.2	Confident	141 Å²	141	72.2 Å²	72.2	66%	0.659	39%	0.394	S	S	*	.			trans	58.4	9.9	178.2	-59	178.1	-172.6	0	0	114.9	Q471 C472 M478	Q471-E476 HydrophobicContact CG-CB 4.39Å; C472-E476 WeakPolarHBondContact O-CA 3.42Å; C472-E476 PolarHBondContact O-N 3.16Å; E476-M478 PolarHBondContact O-N 3.39Å
477	K	77.5	Confident	78.9	Confident	108 Å²	108	73.5 Å²	73.5	47%	0.47	39%	0.39	S	S	.	.			trans	-66.2	121.8	-179	-173.6	177.9	-176.2	177.7	0	110.2	C472 C475 L479	C472-K477 HydrophobicContact CB-CB 4.46Å; C472-K477 PolarHBondContact N-O 3.33Å; C475-K477 PolarHBondContact O-N 3.49Å; C475-K477 WeakPolarHBondContact SG-CB 3.34Å; K477-L479 HydrophobicContact CD-CD2 4.49Å; K477-L479 HydrophobicContact CG-CD2 4.49Å
478	M	77.6	Confident	79.9	Confident	83 Å²	83	72.1 Å²	72.1	41%	0.409	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.2	178.4	-62.5	-67.3	-96	0	0	111.3	R468 Q471 E476	R468-M478 HydrophobicContact CB-CB 3.56Å; R468-M478 HydrophobicContact CG-CB 4.46Å; R468-M478 PolarHBondContact NE-O 2.94Å; R468-M478 PolarHBondContact NH2-O 3.13Å; R468-M478 WeakPolarHBondContact O-CE 3.49Å; Q471-M478 HydrophobicContact CB-SD 3.59Å; Q471-M478 VanDerWaalsContact CB-SD 3.59Å; Q471-M478 HydrophobicContact CG-SD 3.82Å; E476-M478 PolarHBondContact O-N 3.39Å
479	L	81.6	Confident	80.7	Confident	18 Å²	18	71.1 Å²	71.1	9%	0.094	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.1	-176.4	-64.5	167.1	0	0	0	112.1	R468 Y470 K477 A484 L485 H488	R468-L479 CarbonylContact C-O 3.21Å; R468-L479 WeakPolarHBondContact CA-O 3.49Å; Y470-L479 PolarHBondContact N-O 2.8Å; Y470-L479 WeakPolarHBondContact O-CB 3.4Å; Y470-L479 PolarHBondContact O-N 3.21Å; K477-L479 HydrophobicContact CD-CD2 4.49Å; K477-L479 HydrophobicContact CG-CD2 4.49Å; L479-A484 HydrophobicContact CB-CB 4.38Å; L479-L485 HydrophobicContact CD1-CB 3.96Å; L479-L485 HydrophobicContact CD1-CD1 3.91Å; L479-H488 HydrophobicContact CD1-CB 3.52Å; L479-H488 VanDerWaalsContact CD1-CD2 3.49Å; L479-H488 WeakPolarHBondContact CD1-CD2 3.41Å
480	S	80.2	Confident	81	Confident	32 Å²	32	70 Å²	70	22%	0.224	37%	0.369	C	S	.	.	S	Bend	trans	-84.8	-16.1	-172	55.1	0	0	0	0	114.4
481	S	82.5	Confident	80.9	Confident	19 Å²	19	69.5 Å²	69.5	13%	0.133	37%	0.374	C	S	.	.	S	Bend	trans	-148	155.7	179.7	69.9	0	0	0	0	112.6	S483 A484 L485	S481-S483 VanDerWaalsContact C-N 3.29Å; S481-S483 PolarHBondContact O-N 3.42Å; S481-A484 PolarHBondContact O-N 3Å; S481-A484 WeakPolarHBondContact OG-CB 3.39Å; S481-A484 PolarHBondContact OG-N 3.4Å; S481-A484 VanDerWaalsContact OG-N 3.16Å; S481-L485 PolarHBondContact O-N 3.2Å; S481-L485 VanDerWaalsContact O-N 3.07Å
482	P	81.9	Confident	81	Confident	68 Å²	68	67.9 Å²	67.9	44%	0.442	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-40	173.8	-18.4	27.3	0	0	0	112.4	Y470 A484 L485 Y486	Y470-P482 HydrophobicContact CD1-CB 4.47Å; Y470-P482 HydrophobicContact CD1-CG 4.23Å; Y470-P482 HydrophobicContact CE1-CB 4.21Å; Y470-P482 HydrophobicContact CE1-CG 3.57Å; Y470-P482 HydrophobicContact CE2-CG 4.05Å; Y470-P482 VanDerWaalsContact CZ-CD 3.49Å; Y470-P482 VanDerWaalsContact CZ-CG 3.46Å; P482-A484 VanDerWaalsContact C-N 3.31Å; P482-A484 PolarHBondContact O-N 2.91Å; P482-L485 WeakPolarHBondContact O-CB 3.48Å; P482-L485 PolarHBondContact O-N 3.5Å; P482-L485 VanDerWaalsContact O-N 3.13Å; P482-Y486 PolarHBondContact O-N 2.8Å
483	S	84.9	Confident	80.6	Confident	87 Å²	87	69.6 Å²	69.6	61%	0.608	38%	0.384	S	S	*	.	H	α-helix	trans	-64.1	-36.7	178.6	-46.1	0	0	0	0	112	S481 Y486 T487	S481-S483 VanDerWaalsContact C-N 3.29Å; S481-S483 PolarHBondContact O-N 3.42Å; S483-Y486 PolarHBondContact O-N 3.37Å; S483-T487 WeakPolarHBondContact O-CG2 3.33Å; S483-T487 PolarHBondContact O-N 3.29Å; S483-T487 PolarHBondContact O-OG1 2.62Å
484	A	83.6	Confident	80.1	Confident	26 Å²	26	70.9 Å²	70.9	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-68.2	-36.7	174	0	0	0	0	0	111.6	L479 S481 P482 T487 H488	L479-A484 HydrophobicContact CB-CB 4.38Å; S481-A484 PolarHBondContact O-N 3Å; S481-A484 WeakPolarHBondContact OG-CB 3.39Å; S481-A484 PolarHBondContact OG-N 3.4Å; S481-A484 VanDerWaalsContact OG-N 3.16Å; P482-A484 VanDerWaalsContact C-N 3.31Å; P482-A484 PolarHBondContact O-N 2.91Å; A484-T487 PolarHBondContact O-OG1 3.28Å; A484-T487 VanDerWaalsContact O-OG1 3.11Å; A484-H488 WeakPolarHBondContact O-CB 3.48Å; A484-H488 PolarHBondContact O-N 3.11Å
485	L	83.6	Confident	80.2	Confident	24 Å²	24	73.9 Å²	73.9	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-45.3	172.5	177.5	64.2	0	0	0	111.7	C472 L479 S481 P482 T487 H488 K489	C472-L485 HydrophobicContact CB-CD1 3.94Å; L479-L485 HydrophobicContact CD1-CB 3.96Å; L479-L485 HydrophobicContact CD1-CD1 3.91Å; S481-L485 PolarHBondContact O-N 3.2Å; S481-L485 VanDerWaalsContact O-N 3.07Å; P482-L485 WeakPolarHBondContact O-CB 3.48Å; P482-L485 PolarHBondContact O-N 3.5Å; P482-L485 VanDerWaalsContact O-N 3.13Å; L485-T487 PolarHBondContact O-N 3.31Å; L485-H488 PolarHBondContact O-N 3.28Å; L485-K489 HydrophobicContact CD1-CD 4.48Å; L485-K489 HydrophobicContact CD1-CG 4.1Å; L485-K489 HydrophobicContact CG-CD 4.38Å; L485-K489 HydrophobicContact CG-CG 4.39Å; L485-K489 WeakPolarHBondContact O-CB 3.45Å; L485-K489 WeakPolarHBondContact O-CG 3.5Å; L485-K489 PolarHBondContact O-N 3.32Å
486	Y	83	Confident	80	Confident	144 Å²	144	77.9 Å²	77.9	57%	0.565	40%	0.399	S	S	*	.	H	α-helix	trans	-59.3	-47.3	176.5	177	-102.3	0	0	0	112.1	P482 S483 H488 K489 K490	P482-Y486 PolarHBondContact O-N 2.8Å; S483-Y486 PolarHBondContact O-N 3.37Å; Y486-H488 VanDerWaalsContact C-N 3.35Å; Y486-H488 PolarHBondContact O-N 3.07Å; Y486-K489 PolarHBondContact O-N 3.15Å; Y486-K490 PolarHBondContact O-N 3.24Å; Y486-K490 WeakPolarHBondContact OH-CE 3.41Å; Y486-K490 PolarHBondContact OH-NZ 2.95Å
487	T	81.5	Confident	80.3	Confident	84 Å²	84	74.8 Å²	74.8	52%	0.515	38%	0.383	S	S	.	.	H	α-helix	trans	-68.6	-33.1	177.7	56.1	0	0	0	0	112.8	S483 A484 L485 K490	S483-T487 WeakPolarHBondContact O-CG2 3.33Å; S483-T487 PolarHBondContact O-N 3.29Å; S483-T487 PolarHBondContact O-OG1 2.62Å; A484-T487 PolarHBondContact O-OG1 3.28Å; A484-T487 VanDerWaalsContact O-OG1 3.11Å; L485-T487 PolarHBondContact O-N 3.31Å; T487-K490 PolarHBondContact O-N 3.12Å
488	H	83	Confident	80.7	Confident	21 Å²	21	74.7 Å²	74.7	10%	0.097	38%	0.384	C	S	.	.	H	α-helix	trans	-71.5	-37.1	174.3	171.2	56.8	0	0	0	112.9	C472 C475 L479 A484 L485 Y486 K490 T491 H492	C472-H488 VanDerWaalsContact CB-CD2 3.44Å; C472-H488 WeakPolarHBondContact CB-CD2 3.29Å; C472-H488 VanDerWaalsContact CB-NE2 3.31Å; C472-H488 WeakPolarHBondContact CB-NE2 3.14Å; C472-H488 PolarHBondContact SG-CD2 3.39Å; C472-H488 PolarHBondContact SG-NE2 3.49Å; C475-H488 PolarHBondContact SG-CE1 3.3Å; C475-H488 PolarHBondContact SG-NE2 3.25Å; L479-H488 HydrophobicContact CD1-CB 3.52Å; L479-H488 VanDerWaalsContact CD1-CD2 3.49Å; L479-H488 WeakPolarHBondContact CD1-CD2 3.41Å; A484-H488 WeakPolarHBondContact O-CB 3.48Å; A484-H488 PolarHBondContact O-N 3.11Å; L485-H488 PolarHBondContact O-N 3.28Å; Y486-H488 VanDerWaalsContact C-N 3.35Å; Y486-H488 PolarHBondContact O-N 3.07Å; H488-K490 PolarHBondContact O-N 3.06Å; H488-T491 PolarHBondContact ND1-OG1 3.04Å; H488-T491 VanDerWaalsContact ND1-OG1 3.14Å; H488-T491 WeakPolarHBondContact O-CA 3.43Å; H488-T491 VanDerWaalsContact O-CB 3.3Å; H488-T491 WeakPolarHBondContact O-CB 3.42Å; H488-T491 PolarHBondContact O-N 3.32Å; H488-T491 PolarHBondContact O-OG1 3.34Å; H488-H492 AromaticContact CE1-CE1 3.97Å; H488-H492 AromaticContact CE1-NE2 3.29Å; H488-H492 PolarHBondContact CE1-NE2 3.38Å; H488-H492 VanDerWaalsContact CE1-NE2 3.29Å; H488-H492 AromaticContact NE2-NE2 3.2Å; H488-H492 PolarHBondContact NE2-NE2 3.28Å; H488-H492 VanDerWaalsContact NE2-NE2 3.2Å
489	K	81.9	Confident	81.1	Confident	99 Å²	99	70.9 Å²	70.9	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-57	-36.8	174.6	-80.6	-176	175.7	-169.9	0	111.2	L485 Y486 T491 H492	L485-K489 HydrophobicContact CD1-CD 4.48Å; L485-K489 HydrophobicContact CD1-CG 4.1Å; L485-K489 HydrophobicContact CG-CD 4.38Å; L485-K489 HydrophobicContact CG-CG 4.39Å; L485-K489 WeakPolarHBondContact O-CB 3.45Å; L485-K489 WeakPolarHBondContact O-CG 3.5Å; L485-K489 PolarHBondContact O-N 3.32Å; Y486-K489 PolarHBondContact O-N 3.15Å; K489-T491 PolarHBondContact O-N 2.88Å; K489-T491 VanDerWaalsContact O-N 3.14Å; K489-H492 WeakPolarHBondContact O-CB 3.45Å; K489-H492 PolarHBondContact O-N 3.44Å
490	K	80.1	Confident	81.4	Confident	89 Å²	89	75 Å²	75	39%	0.387	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.8	172.8	-58.3	-171.8	178.5	-170	0	114.2	Y486 T487 H488 G493 L508	Y486-K490 PolarHBondContact O-N 3.24Å; Y486-K490 WeakPolarHBondContact OH-CE 3.41Å; Y486-K490 PolarHBondContact OH-NZ 2.95Å; T487-K490 PolarHBondContact O-N 3.12Å; H488-K490 PolarHBondContact O-N 3.06Å; K490-G493 PolarHBondContact O-N 3.32Å; K490-L508 HydrophobicContact CB-CD2 3.95Å; K490-L508 HydrophobicContact CD-CD2 4.05Å
491	T	77.5	Confident	81.5	Confident	61 Å²	61	78.6 Å²	78.6	37%	0.374	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.5	174.3	69.6	0	0	0	0	113.5	H488 K489 G493	H488-T491 PolarHBondContact ND1-OG1 3.04Å; H488-T491 VanDerWaalsContact ND1-OG1 3.14Å; H488-T491 WeakPolarHBondContact O-CA 3.43Å; H488-T491 VanDerWaalsContact O-CB 3.3Å; H488-T491 WeakPolarHBondContact O-CB 3.42Å; H488-T491 PolarHBondContact O-N 3.32Å; H488-T491 PolarHBondContact O-OG1 3.34Å; K489-T491 PolarHBondContact O-N 2.88Å; K489-T491 VanDerWaalsContact O-N 3.14Å; T491-G493 VanDerWaalsContact C-N 3.34Å
492	H	77.7	Confident	81.6	Confident	69 Å²	69	79 Å²	79	32%	0.319	41%	0.412	S	S	.	.	S	Bend	trans	-83.5	-12.8	167.9	-63.1	-61.9	0	0	0	113	C472 T474 C475 H488 K489	C472-H492 PolarHBondContact SG-CD2 3.13Å; C472-H492 PolarHBondContact SG-NE2 3.4Å; T474-H492 HydrophobicContact CG2-CB 4Å; C475-H492 VanDerWaalsContact CB-CE1 3.47Å; C475-H492 WeakPolarHBondContact CB-CE1 3.49Å; C475-H492 PolarHBondContact SG-CE1 3.36Å; C475-H492 PolarHBondContact SG-NE2 3.12Å; H488-H492 AromaticContact CE1-CE1 3.97Å; H488-H492 AromaticContact CE1-NE2 3.29Å; H488-H492 PolarHBondContact CE1-NE2 3.38Å; H488-H492 VanDerWaalsContact CE1-NE2 3.29Å; H488-H492 AromaticContact NE2-NE2 3.2Å; H488-H492 PolarHBondContact NE2-NE2 3.28Å; H488-H492 VanDerWaalsContact NE2-NE2 3.2Å; K489-H492 WeakPolarHBondContact O-CB 3.45Å; K489-H492 PolarHBondContact O-N 3.44Å
493	G	73.7	Confident	81.8	Confident	36 Å²	36	81.2 Å²	81.2	37%	0.371	43%	0.426	S	S	.	.	S	Bend	trans	-61.5	155.6	173.7	0	0	0	0	0	111.2	K490 T491	K490-G493 PolarHBondContact O-N 3.32Å; T491-G493 VanDerWaalsContact C-N 3.34Å
494	D	72.5	Confident	81.8	Confident	123 Å²	123	82.7 Å²	82.7	66%	0.658	42%	0.422	S	S	*	.			trans	-58.7	147.4	176	-165.5	1.2	0	0	0	110.7	Q496	D494-Q496 HydrophobicContact CB-CG 3.99Å; D494-Q496 PolarHBondContact O-N 3.32Å
495	R	79.6	Confident	81.8	Confident	160 Å²	160	87.1 Å²	87.1	60%	0.604	44%	0.436	S	S	*	.			trans	-76.9	62.9	178.7	-66.7	-180	-178.8	172.5	3.3	109.6	F497 K505 F506 T507	R495-F497 PolarHBondContact O-N 3.48Å; R495-K505 HydrophobicContact CB-CB 3.81Å; R495-K505 WeakPolarHBondContact O-CB 3.46Å; R495-F506 CarbonylContact C-O 3.41Å; R495-F506 VanDerWaalsContact C-O 3.25Å; R495-F506 VanDerWaalsContact CA-O 3.31Å; R495-F506 WeakPolarHBondContact CA-O 3.48Å; R495-T507 HydrophobicContact CG-CG2 3.79Å
496	Q	77.8	Confident	82	Confident	144 Å²	144	88 Å²	88	67%	0.673	44%	0.439	S	S	*	.			trans	-67	-23.1	-172.7	-65.1	173.4	7.5	0	0	113.1	D494 Q498 F506	D494-Q496 HydrophobicContact CB-CG 3.99Å; D494-Q496 PolarHBondContact O-N 3.32Å; Q496-Q498 PolarHBondContact O-N 2.79Å; Q496-F506 PolarHBondContact N-O 3.45Å
497	F	85.8	Confident	82	Confident	76 Å²	76	82.5 Å²	82.5	33%	0.333	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99	-172.9	-54.6	-78.9	0	0	0	111.2	R495 K505 F506 T507 K509 V512	R495-F497 PolarHBondContact O-N 3.48Å; F497-K505 CarbonylContact O-C 3.57Å; F497-F506 PolarHBondContact N-O 3.4Å; F497-F506 PolarHBondContact O-N 3.14Å; F497-T507 WeakPolarHBondContact CD2-O 3.39Å; F497-T507 WeakPolarHBondContact CE2-O 3.45Å; F497-K509 HydrophobicContact CD1-CB 4.07Å; F497-K509 HydrophobicContact CE1-CB 4.08Å; F497-K509 HydrophobicContact CG-CB 4.37Å; F497-K509 HydrophobicContact CZ-CB 4.39Å; F497-V512 HydrophobicContact CB-CG2 3.42Å; F497-V512 VanDerWaalsContact CB-CG2 3.42Å; F497-V512 WeakPolarHBondContact O-CG2 3.44Å
498	Q	84.8	Confident	82.1	Confident	106 Å²	106	80.3 Å²	80.3	50%	0.495	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.2	173.3	-173	164.5	-13.5	0	0	111.5	Q496 K505	Q496-Q498 PolarHBondContact O-N 2.79Å; Q498-K505 HydrophobicContact CB-CG 4.11Å; Q498-K505 HydrophobicContact CG-CG 4.16Å
499	C	86	Confident	82.2	Confident	2 Å²	2	85.8 Å²	85.8	1%	0.014	43%	0.429	C	S	.	.			trans	-69	130.9	166.7	-178.1	0	0	0	0	109.7	L501 C502 K504 F506 V512 H515 H520	C499-L501 PolarHBondContact O-N 3.15Å; C499-L501 PolarHBondContact SG-N 3.39Å; C499-L501 VanDerWaalsContact SG-N 3.36Å; C499-C502 WeakPolarHBondContact CB-O 3.5Å; C499-K504 PolarHBondContact N-O 3.33Å; C499-F506 HydrophobicContact CB-CE2 4.29Å; C499-V512 HydrophobicContact CB-CG1 4.47Å; C499-H515 PolarHBondContact SG-CD2 3.42Å; C499-H515 PolarHBondContact SG-NE2 3.29Å; C499-H520 VanDerWaalsContact SG-CD2 3.58Å
500	P	87.2	Confident	82.3	Confident	104 Å²	104	85 Å²	85	68%	0.675	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.6	176.1	26.3	-33	0	0	0	113.4	I516	P500-I516 HydrophobicContact CG-CD1 3.98Å
501	L	83.5	Confident	82.5	Confident	108 Å²	108	85.7 Å²	85.7	57%	0.565	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-5.6	-174.3	-59.2	174.1	0	0	0	113.5	C499 I516 H520	C499-L501 PolarHBondContact O-N 3.15Å; C499-L501 PolarHBondContact SG-N 3.39Å; C499-L501 VanDerWaalsContact SG-N 3.36Å; L501-I516 HydrophobicContact CD1-CG2 4.39Å; L501-H520 HydrophobicContact CB-CB 4.35Å; L501-H520 VanDerWaalsContact CB-CE1 3.43Å; L501-H520 WeakPolarHBondContact CB-CE1 3.12Å; L501-H520 WeakPolarHBondContact CB-ND1 3.45Å; L501-H520 HydrophobicContact CD1-CB 3.42Å; L501-H520 VanDerWaalsContact CD1-CB 3.42Å; L501-H520 PolarHBondContact O-CE1 3.13Å
502	C	84.5	Confident	82.9	Confident	27 Å²	27	83.3 Å²	83.3	18%	0.182	42%	0.416	C	S	.	.	S	Bend	trans	-157	163	174.1	81.5	0	0	0	0	111.8	C499 K504 H515 H520	C499-C502 WeakPolarHBondContact CB-O 3.5Å; C502-K504 PolarHBondContact O-N 3.19Å; C502-K504 VanDerWaalsContact SG-CB 3.55Å; C502-K504 PolarHBondContact SG-N 3.36Å; C502-H515 VanDerWaalsContact SG-CE1 3.54Å; C502-H515 PolarHBondContact SG-NE2 3.2Å; C502-H520 WeakPolarHBondContact CB-NE2 3.44Å
503	P	86.2	Confident	83.2	Confident	115 Å²	115	86.2 Å²	86.2	75%	0.747	43%	0.428	S	S	*	.	S	Bend	trans	-69.7	5.5	-177.2	26.6	-34.7	0	0	0	114.9	K505	P503-K505 PolarHBondContact O-N 3.29Å
504	K	83.5	Confident	83.7	Confident	118 Å²	118	87.6 Å²	87.6	51%	0.513	43%	0.426	S	S	.	.			trans	-72.5	126.7	-179	-69.8	179.9	-176.5	-74.5	0	111.3	C499 C502 F506	C499-K504 PolarHBondContact N-O 3.33Å; C502-K504 PolarHBondContact O-N 3.19Å; C502-K504 VanDerWaalsContact SG-CB 3.55Å; C502-K504 PolarHBondContact SG-N 3.36Å; K504-F506 HydrophobicContact CB-CE2 3.6Å; K504-F506 HydrophobicContact CB-CZ 3.81Å; K504-F506 HydrophobicContact CD-CZ 4.29Å; K504-F506 WeakPolarHBondContact O-CE2 3.47Å
505	K	85.2	Confident	84.2	Confident	120 Å²	120	82.3 Å²	82.3	52%	0.522	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.8	174.6	-62.9	-173.2	179.8	-175.9	0	111.6	R495 F497 Q498 P503	R495-K505 HydrophobicContact CB-CB 3.81Å; R495-K505 WeakPolarHBondContact O-CB 3.46Å; F497-K505 CarbonylContact O-C 3.57Å; Q498-K505 HydrophobicContact CB-CG 4.11Å; Q498-K505 HydrophobicContact CG-CG 4.16Å; P503-K505 PolarHBondContact O-N 3.29Å
506	F	87.2	Confident	84.4	Confident	42 Å²	42	76.3 Å²	76.3	18%	0.184	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.3	-174.1	-60.2	-93.4	0	0	0	111.3	R495 Q496 F497 C499 K504 V512 H515	R495-F506 CarbonylContact C-O 3.41Å; R495-F506 VanDerWaalsContact C-O 3.25Å; R495-F506 VanDerWaalsContact CA-O 3.31Å; R495-F506 WeakPolarHBondContact CA-O 3.48Å; Q496-F506 PolarHBondContact N-O 3.45Å; F497-F506 PolarHBondContact N-O 3.4Å; F497-F506 PolarHBondContact O-N 3.14Å; C499-F506 HydrophobicContact CB-CE2 4.29Å; K504-F506 HydrophobicContact CB-CE2 3.6Å; K504-F506 HydrophobicContact CB-CZ 3.81Å; K504-F506 HydrophobicContact CD-CZ 4.29Å; K504-F506 WeakPolarHBondContact O-CE2 3.47Å; F506-V512 HydrophobicContact CB-CG2 3.77Å; F506-V512 HydrophobicContact CD2-CB 4.39Å; F506-V512 HydrophobicContact CD2-CG2 3.65Å; F506-V512 HydrophobicContact CG-CG2 3.95Å; F506-H515 HydrophobicContact CE1-CB 3.82Å; F506-H515 HydrophobicContact CE2-CB 3.91Å; F506-H515 AromaticContact CE2-CD2 3.45Å; F506-H515 VanDerWaalsContact CE2-CD2 3.45Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.35Å; F506-H515 AromaticContact CE2-CG 3.65Å; F506-H515 HydrophobicContact CZ-CB 3.33Å; F506-H515 AromaticContact CZ-CD2 3.51Å; F506-H515 AromaticContact CZ-CG 3.19Å; F506-H515 AromaticContact CZ-ND1 3.76Å
507	T	83.6	Confident	84.5	Confident	28 Å²	28	77 Å²	77	17%	0.172	37%	0.374	C	S	.	.	S	Bend	trans	-78.2	-24.7	179.3	52.3	0	0	0	0	113.7	R495 F497	R495-T507 HydrophobicContact CG-CG2 3.79Å; F497-T507 WeakPolarHBondContact CD2-O 3.39Å; F497-T507 WeakPolarHBondContact CE2-O 3.45Å
508	L	83.5	Confident	83.9	Confident	39 Å²	39	77.3 Å²	77.3	20%	0.204	38%	0.376	C	S	.	.	S	Bend	trans	-133.3	140.9	-178.8	-57.9	173.7	0	0	0	111.3	K490 N510 Y511 V512	K490-L508 HydrophobicContact CB-CD2 3.95Å; K490-L508 HydrophobicContact CD-CD2 4.05Å; L508-N510 VanDerWaalsContact C-N 3.26Å; L508-N510 WeakPolarHBondContact CB-OD1 3.45Å; L508-N510 PolarHBondContact O-N 2.77Å; L508-Y511 HydrophobicContact CB-CD2 3.77Å; L508-Y511 HydrophobicContact CB-CE2 4.21Å; L508-Y511 HydrophobicContact CB-CG 4.48Å; L508-Y511 HydrophobicContact CD1-CD2 4.1Å; L508-Y511 HydrophobicContact CD1-CE2 3.63Å; L508-Y511 HydrophobicContact CG-CD2 4.14Å; L508-Y511 HydrophobicContact CG-CE2 4.12Å; L508-Y511 WeakPolarHBondContact O-CB 3.28Å; L508-Y511 PolarHBondContact O-N 3.4Å; L508-V512 PolarHBondContact O-N 3.44Å
509	K	83.6	Confident	83.4	Confident	136 Å²	136	76.2 Å²	76.2	59%	0.591	38%	0.376	S	S	*	.	H	α-helix	trans	-56.7	-34.2	178.6	-170.4	172.9	-175.3	171.7	0	113.8	F497 Y511 V512 K513	F497-K509 HydrophobicContact CD1-CB 4.07Å; F497-K509 HydrophobicContact CE1-CB 4.08Å; F497-K509 HydrophobicContact CG-CB 4.37Å; F497-K509 HydrophobicContact CZ-CB 4.39Å; K509-Y511 VanDerWaalsContact C-N 3.3Å; K509-Y511 PolarHBondContact O-N 2.84Å; K509-V512 PolarHBondContact O-N 3.13Å; K509-K513 PolarHBondContact O-N 2.9Å; K509-K513 VanDerWaalsContact O-N 3.11Å
510	N	84.1	Confident	83.2	Confident	83 Å²	83	79.1 Å²	79.1	44%	0.444	39%	0.39	S	S	.	.	H	α-helix	trans	-67.4	-29.6	176.3	66	-43.6	0	0	0	112.6	L508 K513 L514	L508-N510 VanDerWaalsContact C-N 3.26Å; L508-N510 WeakPolarHBondContact CB-OD1 3.45Å; L508-N510 PolarHBondContact O-N 2.77Å; N510-K513 PolarHBondContact O-N 3.39Å; N510-L514 WeakPolarHBondContact O-CG 3.44Å; N510-L514 PolarHBondContact O-N 3.41Å
511	Y	84.8	Confident	82.4	Confident	102 Å²	102	80 Å²	80	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-71.2	-34.9	173.3	-66.9	-42.8	0	0	0	112.3	L508 K509 L514 H515	L508-Y511 HydrophobicContact CB-CD2 3.77Å; L508-Y511 HydrophobicContact CB-CE2 4.21Å; L508-Y511 HydrophobicContact CB-CG 4.48Å; L508-Y511 HydrophobicContact CD1-CD2 4.1Å; L508-Y511 HydrophobicContact CD1-CE2 3.63Å; L508-Y511 HydrophobicContact CG-CD2 4.14Å; L508-Y511 HydrophobicContact CG-CE2 4.12Å; L508-Y511 WeakPolarHBondContact O-CB 3.28Å; L508-Y511 PolarHBondContact O-N 3.4Å; K509-Y511 VanDerWaalsContact C-N 3.3Å; K509-Y511 PolarHBondContact O-N 2.84Å; Y511-L514 HydrophobicContact CD1-CD1 4.17Å; Y511-L514 PolarHBondContact O-N 3.28Å; Y511-H515 VanDerWaalsContact O-CB 3.23Å; Y511-H515 WeakPolarHBondContact O-CB 3.43Å; Y511-H515 PolarHBondContact O-N 3.48Å
512	V	85.9	Confident	81.3	Confident	12 Å²	12	82.3 Å²	82.3	7%	0.073	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-47.2	170	-175.3	0	0	0	0	110.7	F497 C499 F506 L508 K509 L514 H515 I516	F497-V512 HydrophobicContact CB-CG2 3.42Å; F497-V512 VanDerWaalsContact CB-CG2 3.42Å; F497-V512 WeakPolarHBondContact O-CG2 3.44Å; C499-V512 HydrophobicContact CB-CG1 4.47Å; F506-V512 HydrophobicContact CB-CG2 3.77Å; F506-V512 HydrophobicContact CD2-CB 4.39Å; F506-V512 HydrophobicContact CD2-CG2 3.65Å; F506-V512 HydrophobicContact CG-CG2 3.95Å; L508-V512 PolarHBondContact O-N 3.44Å; K509-V512 PolarHBondContact O-N 3.13Å; V512-L514 VanDerWaalsContact C-N 3.35Å; V512-L514 PolarHBondContact O-N 3.07Å; V512-H515 WeakPolarHBondContact O-CB 3.4Å; V512-H515 PolarHBondContact O-N 3.16Å; V512-I516 HydrophobicContact CG1-CD1 3.81Å; V512-I516 HydrophobicContact CG1-CG1 4.21Å; V512-I516 WeakPolarHBondContact O-CG1 3.4Å; V512-I516 PolarHBondContact O-N 3.11Å
513	K	85.2	Confident	79.7	Confident	129 Å²	129	89 Å²	89	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-59.5	-43.8	177.2	-69.3	-175.7	179	-172.3	0	112.3	K509 N510 H515 R517	K509-K513 PolarHBondContact O-N 2.9Å; K509-K513 VanDerWaalsContact O-N 3.11Å; N510-K513 PolarHBondContact O-N 3.39Å; K513-H515 VanDerWaalsContact C-N 3.35Å; K513-R517 WeakPolarHBondContact O-CB 3.47Å; K513-R517 PolarHBondContact O-N 2.71Å
514	L	82.9	Confident	78.3	Confident	65 Å²	65	85.2 Å²	85.2	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.3	-75.5	171.5	0	0	0	111.4	N510 Y511 V512 R517 Q518	N510-L514 WeakPolarHBondContact O-CG 3.44Å; N510-L514 PolarHBondContact O-N 3.41Å; Y511-L514 HydrophobicContact CD1-CD1 4.17Å; Y511-L514 PolarHBondContact O-N 3.28Å; V512-L514 VanDerWaalsContact C-N 3.35Å; V512-L514 PolarHBondContact O-N 3.07Å; L514-R517 PolarHBondContact O-N 2.78Å; L514-Q518 WeakPolarHBondContact O-CB 3.45Å; L514-Q518 WeakPolarHBondContact O-CG 3.47Å; L514-Q518 PolarHBondContact O-N 3.48Å
515	H	83.1	Confident	77.2	Confident	12 Å²	12	87.6 Å²	87.6	6%	0.056	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-46.6	177.2	163.6	64.1	0	0	0	112.7	C499 C502 F506 Y511 V512 K513 R517 Q518 V519 H520	C499-H515 PolarHBondContact SG-CD2 3.42Å; C499-H515 PolarHBondContact SG-NE2 3.29Å; C502-H515 VanDerWaalsContact SG-CE1 3.54Å; C502-H515 PolarHBondContact SG-NE2 3.2Å; F506-H515 HydrophobicContact CE1-CB 3.82Å; F506-H515 HydrophobicContact CE2-CB 3.91Å; F506-H515 AromaticContact CE2-CD2 3.45Å; F506-H515 VanDerWaalsContact CE2-CD2 3.45Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.35Å; F506-H515 AromaticContact CE2-CG 3.65Å; F506-H515 HydrophobicContact CZ-CB 3.33Å; F506-H515 AromaticContact CZ-CD2 3.51Å; F506-H515 AromaticContact CZ-CG 3.19Å; F506-H515 AromaticContact CZ-ND1 3.76Å; Y511-H515 VanDerWaalsContact O-CB 3.23Å; Y511-H515 WeakPolarHBondContact O-CB 3.43Å; Y511-H515 PolarHBondContact O-N 3.48Å; V512-H515 WeakPolarHBondContact O-CB 3.4Å; V512-H515 PolarHBondContact O-N 3.16Å; K513-H515 VanDerWaalsContact C-N 3.35Å; H515-R517 VanDerWaalsContact C-N 3.28Å; H515-R517 PolarHBondContact O-N 3.2Å; H515-Q518 PolarHBondContact O-N 2.98Å; H515-Q518 VanDerWaalsContact O-N 3.11Å; H515-V519 VanDerWaalsContact ND1-CG2 3.32Å; H515-V519 WeakPolarHBondContact ND1-CG2 3.37Å; H515-V519 WeakPolarHBondContact O-CB 3.49Å; H515-V519 PolarHBondContact O-N 2.85Å; H515-H520 AromaticContact CE1-NE2 3.79Å; H515-H520 AromaticContact NE2-CD2 3.62Å; H515-H520 AromaticContact NE2-NE2 3.37Å; H515-H520 PolarHBondContact NE2-NE2 3.46Å
516	I	84	Confident	76.7	Confident	34 Å²	34	86.1 Å²	86.1	17%	0.174	40%	0.398	C	S	.	.	I	π-helix	trans	-57.6	-45.3	174.7	-66.7	168.1	0	0	0	109.7	P500 L501 V512 Q518 H520 K521	P500-I516 HydrophobicContact CG-CD1 3.98Å; L501-I516 HydrophobicContact CD1-CG2 4.39Å; V512-I516 HydrophobicContact CG1-CD1 3.81Å; V512-I516 HydrophobicContact CG1-CG1 4.21Å; V512-I516 WeakPolarHBondContact O-CG1 3.4Å; V512-I516 PolarHBondContact O-N 3.11Å; I516-Q518 VanDerWaalsContact C-N 3.27Å; I516-Q518 PolarHBondContact O-N 3.3Å; I516-H520 HydrophobicContact CG2-CB 4.37Å; I516-H520 WeakPolarHBondContact O-CB 3.48Å; I516-H520 PolarHBondContact O-N 2.79Å; I516-K521 HydrophobicContact CG2-CG 4.29Å; I516-K521 PolarHBondContact O-N 3.28Å
517	R	80.7	Confident	76.4	Confident	159 Å²	159	85.9 Å²	85.9	60%	0.6	40%	0.398	S	S	*	.	I	π-helix	trans	-65.5	-26	178.4	-168.5	-175	-65.2	157.7	-3.9	113.8	K513 L514 H515	K513-R517 WeakPolarHBondContact O-CB 3.47Å; K513-R517 PolarHBondContact O-N 2.71Å; L514-R517 PolarHBondContact O-N 2.78Å; H515-R517 VanDerWaalsContact C-N 3.28Å; H515-R517 PolarHBondContact O-N 3.2Å
518	Q	72.7	Confident	76.5	Confident	82 Å²	82	88 Å²	88	38%	0.383	41%	0.412	S	S	.	.	I	π-helix	trans	-98.7	-29.7	-175	-73.4	169.3	-8.4	0	0	113.5	L514 H515 I516 Y538	L514-Q518 WeakPolarHBondContact O-CB 3.45Å; L514-Q518 WeakPolarHBondContact O-CG 3.47Å; L514-Q518 PolarHBondContact O-N 3.48Å; H515-Q518 PolarHBondContact O-N 2.98Å; H515-Q518 VanDerWaalsContact O-N 3.11Å; I516-Q518 VanDerWaalsContact C-N 3.27Å; I516-Q518 PolarHBondContact O-N 3.3Å; Q518-Y538 PolarHBondContact NE2-OH 2.85Å; Q518-Y538 VanDerWaalsContact NE2-OH 3.1Å; Q518-Y538 PolarHBondContact OE1-OH 2.87Å; Q518-Y538 VanDerWaalsContact OE1-OH 3.08Å
519	V	74.6	Confident	76.7	Confident	83 Å²	83	86.2 Å²	86.2	50%	0.503	40%	0.403	S	S	.	.	I	π-helix	trans	-109.7	-38.1	-172.2	-179.9	0	0	0	0	112	H515	H515-V519 VanDerWaalsContact ND1-CG2 3.32Å; H515-V519 WeakPolarHBondContact ND1-CG2 3.37Å; H515-V519 WeakPolarHBondContact O-CB 3.49Å; H515-V519 PolarHBondContact O-N 2.85Å
520	H	80.4	Confident	76.8	Confident	63 Å²	63	86 Å²	86	29%	0.292	41%	0.414	S	S	.	.	I	π-helix	trans	-104.9	-44.2	-171.6	-67.3	-67.1	0	0	0	113.3	C499 L501 C502 H515 I516 K522	C499-H520 VanDerWaalsContact SG-CD2 3.58Å; L501-H520 HydrophobicContact CB-CB 4.35Å; L501-H520 VanDerWaalsContact CB-CE1 3.43Å; L501-H520 WeakPolarHBondContact CB-CE1 3.12Å; L501-H520 WeakPolarHBondContact CB-ND1 3.45Å; L501-H520 HydrophobicContact CD1-CB 3.42Å; L501-H520 VanDerWaalsContact CD1-CB 3.42Å; L501-H520 PolarHBondContact O-CE1 3.13Å; C502-H520 WeakPolarHBondContact CB-NE2 3.44Å; H515-H520 AromaticContact CE1-NE2 3.79Å; H515-H520 AromaticContact NE2-CD2 3.62Å; H515-H520 AromaticContact NE2-NE2 3.37Å; H515-H520 PolarHBondContact NE2-NE2 3.46Å; I516-H520 HydrophobicContact CG2-CB 4.37Å; I516-H520 WeakPolarHBondContact O-CB 3.48Å; I516-H520 PolarHBondContact O-N 2.79Å; H520-K522 PolarHBondContact O-N 3.04Å
521	K	71.6	Confident	76.9	Confident	123 Å²	123	86.6 Å²	86.6	54%	0.535	42%	0.419	S	S	.	.	S	Bend	trans	-85.6	89	167	-63.4	-167.7	172.9	-155.8	0	107	I516 E523	I516-K521 HydrophobicContact CG2-CG 4.29Å; I516-K521 PolarHBondContact O-N 3.28Å; K521-E523 PolarHBondContact O-N 3.46Å
522	K	59.3	Low	77	Confident	157 Å²	157	84.3 Å²	84.3	68%	0.683	42%	0.418	S	S	*	.			trans	-70.3	40.5	172.1	-155.3	-169.4	178.4	-145.4	0	111.8	H520 S524 E526	H520-K522 PolarHBondContact O-N 3.04Å; K522-S524 VanDerWaalsContact C-N 3.29Å; K522-E526 WeakPolarHBondContact CE-OE1 3.34Å; K522-E526 IonicContact NZ-OE1 2.75Å; K522-E526 PolarHBondContact NZ-OE1 2.86Å
523	E	51.2	Low	76.9	Confident	168 Å²	168	86.1 Å²	86.1	79%	0.785	44%	0.439	S	S	*	.			trans	-94.8	9.9	164.5	-65.1	178.6	166.6	0	0	110.4	K521 K525	K521-E523 PolarHBondContact O-N 3.46Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 2.72Å
524	S	56.3	Low	76.8	Confident	35 Å²	35	86.2 Å²	86.2	25%	0.245	44%	0.44	C	S	.	.	S	Bend	trans	-59	100.5	164	57.7	0	0	0	0	106.9	K522 E526	K522-S524 VanDerWaalsContact C-N 3.29Å; S524-E526 PolarHBondContact O-N 2.82Å
525	K	61.6	Low	76.8	Confident	167 Å²	167	86.9 Å²	86.9	73%	0.726	45%	0.446	S	S	*	.			trans	-38.5	103	175.4	-171.5	170	-174.8	171.1	0	108.1	E523 H527	E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 2.72Å; K525-H527 PolarHBondContact O-CD2 3.44Å; K525-H527 PolarHBondContact O-CE1 3.05Å; K525-H527 PolarHBondContact O-N 3.45Å; K525-H527 PolarHBondContact O-NE2 2.76Å
526	E	74.9	Confident	76.8	Confident	89 Å²	89	88.3 Å²	88.3	42%	0.416	45%	0.452	S	S	.	.			trans	-60.2	133.1	178.7	-76.8	-174.2	172.3	0	0	106.4	K522 S524 P528 V535	K522-E526 WeakPolarHBondContact CE-OE1 3.34Å; K522-E526 IonicContact NZ-OE1 2.75Å; K522-E526 PolarHBondContact NZ-OE1 2.86Å; S524-E526 PolarHBondContact O-N 2.82Å; E526-P528 WeakPolarHBondContact O-CD 3.48Å; E526-V535 HydrophobicContact CB-CG1 3.56Å; E526-V535 HydrophobicContact CG-CG1 3.78Å
527	H	81.2	Confident	76.6	Confident	37 Å²	37	88.8 Å²	88.8	17%	0.171	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	82.4	179.9	-62.6	-63.1	0	0	0	108.3	K525 F536 V539 L542	K525-H527 PolarHBondContact O-CD2 3.44Å; K525-H527 PolarHBondContact O-CE1 3.05Å; K525-H527 PolarHBondContact O-N 3.45Å; K525-H527 PolarHBondContact O-NE2 2.76Å; H527-F536 HydrophobicContact CB-CB 4.46Å; H527-F536 WeakPolarHBondContact CB-O 3.45Å; H527-F536 PolarHBondContact N-O 3.38Å; H527-F536 PolarHBondContact O-N 3.21Å; H527-V539 PolarHBondContact CD2-N 2.93Å; H527-V539 WeakPolarHBondContact CE1-CG2 3.41Å; H527-V539 WeakPolarHBondContact NE2-CG2 3.47Å; H527-V539 PolarHBondContact NE2-N 3.41Å; H527-L542 HydrophobicContact CB-CB 3.96Å; H527-L542 HydrophobicContact CB-CD2 3.74Å; H527-L542 HydrophobicContact CB-CG 4.42Å
528	P	84.8	Confident	76.5	Confident	72 Å²	72	86.8 Å²	86.8	47%	0.468	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.7	175.9	28.4	-34.4	0	0	0	110.3	E526 T530 K534 V535	E526-P528 WeakPolarHBondContact O-CD 3.48Å; P528-T530 PolarHBondContact O-N 2.77Å; P528-K534 CarbonylContact C-O 3.58Å; P528-K534 WeakPolarHBondContact CA-O 3.41Å; P528-V535 HydrophobicContact CB-CG2 4.34Å
529	C	87.3	Confident	76.9	Confident	3 Å²	3	87 Å²	87	2%	0.02	47%	0.465	C	S	.	.			trans	-70.6	124.8	164.9	178.7	0	0	0	0	109.4	V531 C532 G533 K534 F536 L542 H545 M546 H549	C529-V531 PolarHBondContact O-N 3.21Å; C529-V531 PolarHBondContact SG-N 3.49Å; C529-V531 VanDerWaalsContact SG-N 3.36Å; C529-C532 PolarHBondContact SG-N 3.12Å; C529-C532 VanDerWaalsContact SG-SG 3.61Å; C529-G533 VanDerWaalsContact O-CA 3.3Å; C529-G533 WeakPolarHBondContact O-CA 3.46Å; C529-G533 PolarHBondContact O-N 2.84Å; C529-K534 PolarHBondContact N-O 3.06Å; C529-F536 HydrophobicContact CB-CE2 4.29Å; C529-L542 HydrophobicContact CB-CD1 3.91Å; C529-H545 WeakPolarHBondContact CB-NE2 3.43Å; C529-H545 PolarHBondContact SG-NE2 3.02Å; C529-M546 HydrophobicContact CB-SD 4.41Å; C529-H549 VanDerWaalsContact SG-CD2 3.52Å; C529-H549 PolarHBondContact SG-NE2 2.93Å
530	T	87.1	Confident	77.3	Confident	132 Å²	132	85 Å²	85	81%	0.81	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-18.4	177.8	53.1	0	0	0	0	113.6	P528	P528-T530 PolarHBondContact O-N 2.77Å
531	V	84.4	Confident	77.6	Confident	94 Å²	94	84.7 Å²	84.7	57%	0.57	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-34.8	-174.8	-175	0	0	0	0	112.9	C529 M546 H549	C529-V531 PolarHBondContact O-N 3.21Å; C529-V531 PolarHBondContact SG-N 3.49Å; C529-V531 VanDerWaalsContact SG-N 3.36Å; V531-M546 HydrophobicContact CG2-CE 4.21Å; V531-H549 VanDerWaalsContact CG1-ND1 3.32Å; V531-H549 WeakPolarHBondContact CG1-ND1 3.42Å
532	C	86.8	Confident	78.3	Confident	55 Å²	55	80.2 Å²	80.2	37%	0.372	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	2.9	-178.8	69.9	0	0	0	0	115.4	C529 K534 H545 H549	C529-C532 PolarHBondContact SG-N 3.12Å; C529-C532 VanDerWaalsContact SG-SG 3.61Å; C532-K534 PolarHBondContact O-N 3.11Å; C532-H545 VanDerWaalsContact SG-CE1 3.54Å; C532-H545 PolarHBondContact SG-NE2 3.28Å; C532-H549 PolarHBondContact SG-NE2 3Å; C532-H549 VanDerWaalsContact SG-NE2 3.39Å
533	G	83.8	Confident	79.7	Confident	50 Å²	50	78.2 Å²	78.2	52%	0.515	44%	0.442	S	S	.	.			trans	71.2	-3.5	178.9	0	0	0	0	0	115.6	C529 V535	C529-G533 VanDerWaalsContact O-CA 3.3Å; C529-G533 WeakPolarHBondContact O-CA 3.46Å; C529-G533 PolarHBondContact O-N 2.84Å; G533-V535 PolarHBondContact O-N 3.43Å
534	K	83.6	Confident	81.5	Confident	131 Å²	131	72.8 Å²	72.8	57%	0.57	42%	0.42	S	S	*	.			trans	-62.2	129.5	178.3	-72.3	179.3	-176.5	173.7	0	111	P528 C529 C532 F536	P528-K534 CarbonylContact C-O 3.58Å; P528-K534 WeakPolarHBondContact CA-O 3.41Å; C529-K534 PolarHBondContact N-O 3.06Å; C532-K534 PolarHBondContact O-N 3.11Å; K534-F536 HydrophobicContact CB-CE2 3.71Å; K534-F536 HydrophobicContact CB-CZ 3.97Å; K534-F536 WeakPolarHBondContact O-CD2 3.22Å; K534-F536 VanDerWaalsContact O-CE2 3.25Å; K534-F536 WeakPolarHBondContact O-CE2 3.42Å
535	V	83.3	Confident	83	Confident	78 Å²	78	72.2 Å²	72.2	47%	0.473	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.2	-178.2	-179.1	0	0	0	0	111.2	E526 P528 G533	E526-V535 HydrophobicContact CB-CG1 3.56Å; E526-V535 HydrophobicContact CG-CG1 3.78Å; P528-V535 HydrophobicContact CB-CG2 4.34Å; G533-V535 PolarHBondContact O-N 3.43Å
536	F	82.3	Confident	84.2	Confident	43 Å²	43	66.7 Å²	66.7	19%	0.189	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.1	177.1	-61	-90.4	0	0	0	110.9	H527 C529 K534 Y538 L542 H545	H527-F536 HydrophobicContact CB-CB 4.46Å; H527-F536 WeakPolarHBondContact CB-O 3.45Å; H527-F536 PolarHBondContact N-O 3.38Å; H527-F536 PolarHBondContact O-N 3.21Å; C529-F536 HydrophobicContact CB-CE2 4.29Å; K534-F536 HydrophobicContact CB-CE2 3.71Å; K534-F536 HydrophobicContact CB-CZ 3.97Å; K534-F536 WeakPolarHBondContact O-CD2 3.22Å; K534-F536 VanDerWaalsContact O-CE2 3.25Å; K534-F536 WeakPolarHBondContact O-CE2 3.42Å; F536-Y538 PolarHBondContact O-N 2.88Å; F536-L542 HydrophobicContact CB-CB 4.08Å; F536-L542 HydrophobicContact CD2-CB 4.06Å; F536-L542 HydrophobicContact CD2-CD1 3.71Å; F536-L542 HydrophobicContact CE2-CD1 4.07Å; F536-L542 HydrophobicContact CG-CB 4.2Å; F536-H545 HydrophobicContact CD1-CB 4.45Å; F536-H545 HydrophobicContact CE1-CB 3.68Å; F536-H545 AromaticContact CE1-CG 3.91Å; F536-H545 HydrophobicContact CE2-CB 3.83Å; F536-H545 AromaticContact CE2-CD2 3.08Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.4Å; F536-H545 AromaticContact CE2-CG 3.44Å; F536-H545 VanDerWaalsContact CE2-CG 3.44Å; F536-H545 AromaticContact CE2-NE2 3.67Å; F536-H545 HydrophobicContact CZ-CB 3.35Å; F536-H545 AromaticContact CZ-CD2 3.25Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.5Å; F536-H545 AromaticContact CZ-CE1 3.98Å; F536-H545 AromaticContact CZ-CG 3.06Å; F536-H545 AromaticContact CZ-ND1 3.59Å; F536-H545 AromaticContact CZ-NE2 3.79Å
537	G	79.9	Confident	84.9	Confident	44 Å²	44	64.2 Å²	64.2	45%	0.454	38%	0.377	S	S	.	.	S	Bend	trans	-74.1	-8.7	177.1	0	0	0	0	0	115.1
538	Y	80.2	Confident	85.2	Confident	117 Å²	117	66.5 Å²	66.5	46%	0.459	39%	0.394	S	S	.	.	S	Bend	trans	-141.8	139.6	-179.8	-59.2	-75.3	0	0	0	111.8	Q518 F536 G540 S541 L542	Q518-Y538 PolarHBondContact NE2-OH 2.85Å; Q518-Y538 VanDerWaalsContact NE2-OH 3.1Å; Q518-Y538 PolarHBondContact OE1-OH 2.87Å; Q518-Y538 VanDerWaalsContact OE1-OH 3.08Å; F536-Y538 PolarHBondContact O-N 2.88Å; Y538-G540 PolarHBondContact O-N 3.07Å; Y538-S541 WeakPolarHBondContact O-CB 3.41Å; Y538-S541 PolarHBondContact O-N 3.32Å; Y538-L542 PolarHBondContact O-N 3.37Å
539	V	79.7	Confident	85.3	Confident	86 Å²	86	66.5 Å²	66.5	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-52.9	-42.1	173.8	-174.5	0	0	0	0	111.5	H527 S541 L542 Q543	H527-V539 PolarHBondContact CD2-N 2.93Å; H527-V539 WeakPolarHBondContact CE1-CG2 3.41Å; H527-V539 WeakPolarHBondContact NE2-CG2 3.47Å; H527-V539 PolarHBondContact NE2-N 3.41Å; V539-S541 VanDerWaalsContact C-N 3.29Å; V539-S541 PolarHBondContact O-N 2.76Å; V539-L542 PolarHBondContact O-N 3.49Å; V539-Q543 WeakPolarHBondContact O-CB 3.47Å; V539-Q543 PolarHBondContact O-N 3.38Å
540	G	84.3	Confident	85.3	Confident	42 Å²	42	70.4 Å²	70.4	43%	0.433	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-33.7	179.9	0	0	0	0	0	113.2	Y538 V544	Y538-G540 PolarHBondContact O-N 3.07Å; G540-V544 VanDerWaalsContact O-CG2 3.25Å; G540-V544 WeakPolarHBondContact O-CG2 3.4Å; G540-V544 PolarHBondContact O-N 2.96Å
541	S	86.4	Confident	85.2	Confident	55 Å²	55	66.5 Å²	66.5	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-72.5	-42.5	174.9	-63.8	0	0	0	0	111.2	Y538 V539 Q543 V544 H545	Y538-S541 WeakPolarHBondContact O-CB 3.41Å; Y538-S541 PolarHBondContact O-N 3.32Å; V539-S541 VanDerWaalsContact C-N 3.29Å; V539-S541 PolarHBondContact O-N 2.76Å; S541-Q543 VanDerWaalsContact C-N 3.34Å; S541-Q543 PolarHBondContact O-N 3.21Å; S541-V544 PolarHBondContact O-N 2.77Å; S541-H545 WeakPolarHBondContact O-CB 3.15Å; S541-H545 PolarHBondContact O-N 3.49Å
542	L	86.8	Confident	85.3	Confident	29 Å²	29	67.4 Å²	67.4	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-57.3	-48.3	170.9	173.5	61.6	0	0	0	110.1	H527 C529 F536 Y538 V539 V544 H545 M546	H527-L542 HydrophobicContact CB-CB 3.96Å; H527-L542 HydrophobicContact CB-CD2 3.74Å; H527-L542 HydrophobicContact CB-CG 4.42Å; C529-L542 HydrophobicContact CB-CD1 3.91Å; F536-L542 HydrophobicContact CB-CB 4.08Å; F536-L542 HydrophobicContact CD2-CB 4.06Å; F536-L542 HydrophobicContact CD2-CD1 3.71Å; F536-L542 HydrophobicContact CE2-CD1 4.07Å; F536-L542 HydrophobicContact CG-CB 4.2Å; Y538-L542 PolarHBondContact O-N 3.37Å; V539-L542 PolarHBondContact O-N 3.49Å; L542-V544 PolarHBondContact O-N 3.43Å; L542-H545 CarbonylContact O-C 3.47Å; L542-H545 WeakPolarHBondContact O-CA 3.12Å; L542-H545 VanDerWaalsContact O-CB 3.32Å; L542-H545 WeakPolarHBondContact O-CB 3.4Å; L542-H545 PolarHBondContact O-N 3.4Å; L542-M546 HydrophobicContact CD1-CG 4.04Å; L542-M546 HydrophobicContact CD1-SD 3.79Å; L542-M546 HydrophobicContact CG-CG 4.16Å; L542-M546 HydrophobicContact CG-SD 4.46Å; L542-M546 WeakPolarHBondContact O-CG 3.39Å; L542-M546 PolarHBondContact O-N 3.14Å
543	Q	88.1	Confident	85.4	Confident	116 Å²	116	71.5 Å²	71.5	54%	0.542	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-41.6	-178.3	-171.5	-179.1	9.1	0	0	112.8	V539 S541 H545 M546 R547	V539-Q543 WeakPolarHBondContact O-CB 3.47Å; V539-Q543 PolarHBondContact O-N 3.38Å; S541-Q543 VanDerWaalsContact C-N 3.34Å; S541-Q543 PolarHBondContact O-N 3.21Å; Q543-H545 VanDerWaalsContact C-N 3.27Å; Q543-H545 PolarHBondContact O-N 3.23Å; Q543-M546 PolarHBondContact O-N 2.58Å; Q543-R547 PolarHBondContact O-N 2.81Å
544	V	88.1	Confident	85.5	Confident	53 Å²	53	72.5 Å²	72.5	32%	0.321	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-34	174.1	173.6	0	0	0	0	110.8	G540 S541 L542 R547	G540-V544 VanDerWaalsContact O-CG2 3.25Å; G540-V544 WeakPolarHBondContact O-CG2 3.4Å; G540-V544 PolarHBondContact O-N 2.96Å; S541-V544 PolarHBondContact O-N 2.77Å; L542-V544 PolarHBondContact O-N 3.43Å; V544-R547 WeakPolarHBondContact O-CB 3.25Å
545	H	88.2	Confident	85.9	Confident	23 Å²	23	69.6 Å²	69.6	11%	0.106	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-38.1	172.7	166.8	66.8	0	0	0	112.9	C529 C532 F536 S541 L542 Q543 R547 T548 H549	C529-H545 WeakPolarHBondContact CB-NE2 3.43Å; C529-H545 PolarHBondContact SG-NE2 3.02Å; C532-H545 VanDerWaalsContact SG-CE1 3.54Å; C532-H545 PolarHBondContact SG-NE2 3.28Å; F536-H545 HydrophobicContact CD1-CB 4.45Å; F536-H545 HydrophobicContact CE1-CB 3.68Å; F536-H545 AromaticContact CE1-CG 3.91Å; F536-H545 HydrophobicContact CE2-CB 3.83Å; F536-H545 AromaticContact CE2-CD2 3.08Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.4Å; F536-H545 AromaticContact CE2-CG 3.44Å; F536-H545 VanDerWaalsContact CE2-CG 3.44Å; F536-H545 AromaticContact CE2-NE2 3.67Å; F536-H545 HydrophobicContact CZ-CB 3.35Å; F536-H545 AromaticContact CZ-CD2 3.25Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.5Å; F536-H545 AromaticContact CZ-CE1 3.98Å; F536-H545 AromaticContact CZ-CG 3.06Å; F536-H545 AromaticContact CZ-ND1 3.59Å; F536-H545 AromaticContact CZ-NE2 3.79Å; S541-H545 WeakPolarHBondContact O-CB 3.15Å; S541-H545 PolarHBondContact O-N 3.49Å; L542-H545 CarbonylContact O-C 3.47Å; L542-H545 WeakPolarHBondContact O-CA 3.12Å; L542-H545 VanDerWaalsContact O-CB 3.32Å; L542-H545 WeakPolarHBondContact O-CB 3.4Å; L542-H545 PolarHBondContact O-N 3.4Å; Q543-H545 VanDerWaalsContact C-N 3.27Å; Q543-H545 PolarHBondContact O-N 3.23Å; H545-R547 PolarHBondContact O-N 2.95Å; H545-T548 PolarHBondContact ND1-OG1 3.48Å; H545-T548 WeakPolarHBondContact O-CB 3.4Å; H545-T548 PolarHBondContact O-N 3.23Å; H545-T548 PolarHBondContact O-OG1 3.43Å; H545-H549 AromaticContact CE1-NE2 3.53Å; H545-H549 AromaticContact NE2-CD2 3.83Å; H545-H549 AromaticContact NE2-NE2 3.34Å; H545-H549 PolarHBondContact NE2-NE2 3.03Å
546	M	87.4	Confident	86.1	Confident	52 Å²	52	73.6 Å²	73.6	26%	0.256	40%	0.398	S	S	.	.	H	α-helix	trans	-57	-27.6	176.5	-67.5	-52.4	-70.9	0	0	111.7	C529 V531 L542 Q543 T548 H549 T550	C529-M546 HydrophobicContact CB-SD 4.41Å; V531-M546 HydrophobicContact CG2-CE 4.21Å; L542-M546 HydrophobicContact CD1-CG 4.04Å; L542-M546 HydrophobicContact CD1-SD 3.79Å; L542-M546 HydrophobicContact CG-CG 4.16Å; L542-M546 HydrophobicContact CG-SD 4.46Å; L542-M546 WeakPolarHBondContact O-CG 3.39Å; L542-M546 PolarHBondContact O-N 3.14Å; Q543-M546 PolarHBondContact O-N 2.58Å; M546-T548 PolarHBondContact O-N 3.5Å; M546-H549 WeakPolarHBondContact O-CB 3.34Å; M546-H549 PolarHBondContact O-N 3.03Å; M546-T550 PolarHBondContact O-N 2.83Å
547	R	90.2	Very high	86.4	Confident	36 Å²	36	72.1 Å²	72.1	14%	0.136	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-19.5	171.7	-63	-177.8	-178.5	131.3	11.8	114.7	Q543 V544 H545 H549 T550 G551 E552 T565	Q543-R547 PolarHBondContact O-N 2.81Å; V544-R547 WeakPolarHBondContact O-CB 3.25Å; H545-R547 PolarHBondContact O-N 2.95Å; R547-H549 VanDerWaalsContact C-N 3.3Å; R547-T550 WeakPolarHBondContact CA-OG1 3.43Å; R547-G551 CarbonylContact O-C 3.57Å; R547-G551 WeakPolarHBondContact O-CA 3.42Å; R547-G551 PolarHBondContact O-N 3.39Å; R547-E552 WeakPolarHBondContact CB-O 3.47Å; R547-E552 HydrophobicContact CG-CB 4.32Å; R547-E552 PolarHBondContact O-N 2.71Å; R547-T565 HydrophobicContact CB-CG2 4.04Å; R547-T565 WeakPolarHBondContact CD-O 3.36Å; R547-T565 PolarHBondContact NH1-O 3.43Å
548	T	86.5	Confident	86.8	Confident	85 Å²	85	74.4 Å²	74.4	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-75.5	-23.3	171.8	67.7	0	0	0	0	112.2	H545 M546	H545-T548 PolarHBondContact ND1-OG1 3.48Å; H545-T548 WeakPolarHBondContact O-CB 3.4Å; H545-T548 PolarHBondContact O-N 3.23Å; H545-T548 PolarHBondContact O-OG1 3.43Å; M546-T548 PolarHBondContact O-N 3.5Å
549	H	88	Confident	87	Confident	73 Å²	73	75.8 Å²	75.8	34%	0.338	41%	0.407	S	S	.	.	H	α-helix	trans	-85.5	-42.7	172.7	-66.2	-65.6	0	0	0	111.6	C529 V531 C532 H545 M546 R547 G551	C529-H549 VanDerWaalsContact SG-CD2 3.52Å; C529-H549 PolarHBondContact SG-NE2 2.93Å; V531-H549 VanDerWaalsContact CG1-ND1 3.32Å; V531-H549 WeakPolarHBondContact CG1-ND1 3.42Å; C532-H549 PolarHBondContact SG-NE2 3Å; C532-H549 VanDerWaalsContact SG-NE2 3.39Å; H545-H549 AromaticContact CE1-NE2 3.53Å; H545-H549 AromaticContact NE2-CD2 3.83Å; H545-H549 AromaticContact NE2-NE2 3.34Å; H545-H549 PolarHBondContact NE2-NE2 3.03Å; M546-H549 WeakPolarHBondContact O-CB 3.34Å; M546-H549 PolarHBondContact O-N 3.03Å; R547-H549 VanDerWaalsContact C-N 3.3Å; H549-G551 VanDerWaalsContact C-N 3.31Å; H549-G551 PolarHBondContact O-N 3.21Å
550	T	86.4	Confident	87.3	Confident	84 Å²	84	73.5 Å²	73.5	52%	0.515	39%	0.394	S	S	.	.	H	α-helix	trans	-79	-14.7	179.2	65.3	0	0	0	0	113.5	M546 R547 E552	M546-T550 PolarHBondContact O-N 2.83Å; R547-T550 WeakPolarHBondContact CA-OG1 3.43Å; T550-E552 PolarHBondContact O-N 2.72Å; T550-E552 WeakPolarHBondContact OG1-CG 3.3Å; T550-E552 PolarHBondContact OG1-N 2.82Å
551	G	84.4	Confident	87.4	Confident	50 Å²	50	81.2 Å²	81.2	52%	0.515	42%	0.419	S	S	.	.			trans	72.3	2.2	-174.8	0	0	0	0	0	114.4	R547 H549 R553	R547-G551 CarbonylContact O-C 3.57Å; R547-G551 WeakPolarHBondContact O-CA 3.42Å; R547-G551 PolarHBondContact O-N 3.39Å; H549-G551 VanDerWaalsContact C-N 3.31Å; H549-G551 PolarHBondContact O-N 3.21Å; G551-R553 PolarHBondContact O-N 3.11Å
552	E	86.1	Confident	87.5	Confident	113 Å²	113	84.7 Å²	84.7	53%	0.528	43%	0.427	S	S	.	.			trans	-65.7	127.7	-176.8	-73.5	-176.7	176.2	0	0	112.6	R547 T550 P554	R547-E552 WeakPolarHBondContact CB-O 3.47Å; R547-E552 HydrophobicContact CG-CB 4.32Å; R547-E552 PolarHBondContact O-N 2.71Å; T550-E552 PolarHBondContact O-N 2.72Å; T550-E552 WeakPolarHBondContact OG1-CG 3.3Å; T550-E552 PolarHBondContact OG1-N 2.82Å; E552-P554 WeakPolarHBondContact O-CD 3.45Å
553	R	89.7	Confident	87.6	Confident	141 Å²	141	84.2 Å²	84.2	53%	0.532	43%	0.428	S	S	.	.			trans	-125.6	77.6	178.2	-63.6	168.6	88.2	149.5	3	109.9	G551 Y555 A563 F564 T565	G551-R553 PolarHBondContact O-N 3.11Å; R553-Y555 PolarHBondContact O-N 2.78Å; R553-A563 HydrophobicContact CB-CB 3.54Å; R553-A563 PolarHBondContact NE-O 2.93Å; R553-A563 PolarHBondContact NH2-O 3.42Å; R553-A563 WeakPolarHBondContact O-CB 3.26Å; R553-F564 CarbonylContact C-O 3.36Å; R553-F564 WeakPolarHBondContact CA-O 3.23Å; R553-T565 HydrophobicContact CG-CG2 4.09Å
554	P	86.8	Confident	87.7	Confident	72 Å²	72	80.1 Å²	80.1	47%	0.468	41%	0.408	S	S	.	.			trans	-68.1	-21.3	-172.8	-21.5	34.1	0	0	0	114.2	E552 K556	E552-P554 WeakPolarHBondContact O-CD 3.45Å; P554-K556 PolarHBondContact O-N 3.23Å
555	Y	91.8	Very high	87.8	Confident	70 Å²	70	79 Å²	79	28%	0.275	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	89.9	-173	-57.6	-78.8	0	0	0	110.6	R553 A563 F564 T565 S566 R567	R553-Y555 PolarHBondContact O-N 2.78Å; Y555-A563 CarbonylContact O-C 3.37Å; Y555-A563 WeakPolarHBondContact O-CA 3.23Å; Y555-F564 WeakPolarHBondContact CB-O 3.45Å; Y555-F564 WeakPolarHBondContact CD2-O 3.35Å; Y555-F564 PolarHBondContact N-O 2.79Å; Y555-F564 VanDerWaalsContact N-O 3.15Å; Y555-F564 PolarHBondContact O-N 3.39Å; Y555-T565 WeakPolarHBondContact CE2-O 3.44Å; Y555-S566 VanDerWaalsContact CD2-C 3.4Å; Y555-R567 HydrophobicContact CD1-CB 3.96Å; Y555-R567 HydrophobicContact CD1-CG 4.42Å; Y555-R567 HydrophobicContact CE1-CB 3.74Å; Y555-R567 HydrophobicContact CE1-CG 4.38Å; Y555-R567 HydrophobicContact CG-CB 4.48Å
556	K	87.1	Confident	87.8	Confident	162 Å²	162	79 Å²	79	70%	0.704	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	140	178.3	-59.9	-175.8	178.9	-174.8	0	111.6	P554 A563 L570	P554-K556 PolarHBondContact O-N 3.23Å; K556-A563 HydrophobicContact CG-CB 4.02Å; K556-L570 WeakPolarHBondContact O-CD2 3.37Å
557	C	89	Confident	87.9	Confident	11 Å²	11	84.8 Å²	84.8	7%	0.074	42%	0.423	C	S	.	.			trans	-74	143	170.3	-173.5	0	0	0	0	110.6	Y559 C560 K562 L570	C557-Y559 PolarHBondContact SG-N 2.76Å; C557-C560 CarbonylContact C-O 3.37Å; C557-C560 WeakPolarHBondContact CB-O 3.49Å; C557-K562 WeakPolarHBondContact CB-O 3Å; C557-K562 PolarHBondContact N-O 3.13Å; C557-L570 HydrophobicContact CB-CD1 3.75Å
558	S	88.5	Confident	87.7	Confident	93 Å²	93	84.9 Å²	84.9	65%	0.65	44%	0.435	S	S	*	.	S	Bend	trans	-80.2	-20.5	176.5	55.3	0	0	0	0	113.6
559	Y	83	Confident	87.9	Confident	146 Å²	146	85 Å²	85	57%	0.573	43%	0.432	S	S	*	.	S	Bend	trans	-101.4	-16.3	-175.8	-56.8	-79.2	0	0	0	113.1	C557 H577	C557-Y559 PolarHBondContact SG-N 2.76Å; Y559-H577 WeakPolarHBondContact CB-ND1 3.36Å; Y559-H577 HydrophobicContact CD1-CB 4.4Å; Y559-H577 HydrophobicContact CD2-CB 3.74Å; Y559-H577 AromaticContact CD2-CG 3.96Å; Y559-H577 HydrophobicContact CE2-CB 4.34Å; Y559-H577 HydrophobicContact CG-CB 3.77Å; Y559-H577 AromaticContact CG-CG 3.82Å
560	C	86.8	Confident	88	Confident	38 Å²	38	82.1 Å²	82.1	26%	0.257	42%	0.42	S	S	.	.	S	Bend	trans	-149.7	167.2	174.8	73.1	0	0	0	0	111.4	C557 K562 H573 H577	C557-C560 CarbonylContact C-O 3.37Å; C557-C560 WeakPolarHBondContact CB-O 3.49Å; C560-K562 PolarHBondContact O-N 3.09Å; C560-K562 VanDerWaalsContact O-N 3.08Å; C560-H573 PolarHBondContact SG-NE2 3.06Å; C560-H577 PolarHBondContact SG-NE2 3.24Å; C560-H577 VanDerWaalsContact SG-NE2 3.38Å
561	E	85.9	Confident	88.1	Confident	203 Å²	203	83.6 Å²	83.6	95%	0.949	42%	0.42	S	S	*	.	S	Bend	trans	-72.9	0.4	-177.3	-60.3	178.7	173.7	0	0	114.1	A563	E561-A563 PolarHBondContact O-N 3.46Å
562	K	87.9	Confident	88.3	Confident	129 Å²	129	83.2 Å²	83.2	56%	0.561	41%	0.409	S	S	*	.			trans	-70.7	132.3	-179.6	-65.9	-176.8	-174.8	-66.6	0	110.8	C557 C560 F564	C557-K562 WeakPolarHBondContact CB-O 3Å; C557-K562 PolarHBondContact N-O 3.13Å; C560-K562 PolarHBondContact O-N 3.09Å; C560-K562 VanDerWaalsContact O-N 3.08Å; K562-F564 HydrophobicContact CB-CE2 3.99Å; K562-F564 HydrophobicContact CB-CZ 4.06Å
563	A	89.9	Confident	88.4	Confident	19 Å²	19	78.7 Å²	78.7	16%	0.157	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.3	172.7	0	0	0	0	0	111.5	R553 Y555 K556 E561	R553-A563 HydrophobicContact CB-CB 3.54Å; R553-A563 PolarHBondContact NE-O 2.93Å; R553-A563 PolarHBondContact NH2-O 3.42Å; R553-A563 WeakPolarHBondContact O-CB 3.26Å; Y555-A563 CarbonylContact O-C 3.37Å; Y555-A563 WeakPolarHBondContact O-CA 3.23Å; K556-A563 HydrophobicContact CG-CB 4.02Å; E561-A563 PolarHBondContact O-N 3.46Å
564	F	90.4	Very high	88.4	Confident	29 Å²	29	74.7 Å²	74.7	13%	0.127	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.2	-176	-60	-90.1	0	0	0	111.5	R553 Y555 K562 S566 N569 L570 H573	R553-F564 CarbonylContact C-O 3.36Å; R553-F564 WeakPolarHBondContact CA-O 3.23Å; Y555-F564 WeakPolarHBondContact CB-O 3.45Å; Y555-F564 WeakPolarHBondContact CD2-O 3.35Å; Y555-F564 PolarHBondContact N-O 2.79Å; Y555-F564 VanDerWaalsContact N-O 3.15Å; Y555-F564 PolarHBondContact O-N 3.39Å; K562-F564 HydrophobicContact CB-CE2 3.99Å; K562-F564 HydrophobicContact CB-CZ 4.06Å; F564-S566 VanDerWaalsContact C-N 3.32Å; F564-N569 HydrophobicContact CB-CB 4.15Å; F564-N569 HydrophobicContact CD1-CB 3.91Å; F564-N569 HydrophobicContact CG-CB 4.28Å; F564-L570 HydrophobicContact CB-CB 4.22Å; F564-L570 HydrophobicContact CD2-CB 3.85Å; F564-L570 HydrophobicContact CD2-CD1 3.73Å; F564-L570 HydrophobicContact CD2-CG 4.4Å; F564-L570 HydrophobicContact CE2-CD1 3.97Å; F564-L570 HydrophobicContact CG-CB 4.22Å; F564-H573 HydrophobicContact CE1-CB 3.88Å; F564-H573 HydrophobicContact CE2-CB 3.77Å; F564-H573 AromaticContact CE2-CD2 3.28Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.44Å; F564-H573 AromaticContact CE2-CG 3.49Å; F564-H573 VanDerWaalsContact CE2-CG 3.49Å; F564-H573 AromaticContact CE2-NE2 3.95Å; F564-H573 HydrophobicContact CZ-CB 3.35Å; F564-H573 AromaticContact CZ-CD2 3.42Å; F564-H573 VanDerWaalsContact CZ-CD2 3.42Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.25Å; F564-H573 AromaticContact CZ-CG 3.12Å; F564-H573 AromaticContact CZ-ND1 3.59Å; F564-H573 AromaticContact CZ-NE2 3.97Å
565	T	89.5	Confident	88.5	Confident	30 Å²	30	73 Å²	73	18%	0.184	36%	0.36	C	S	.	.	S	Bend	trans	-75.6	-21.1	176.9	54.1	0	0	0	0	112.7	R547 R553 Y555	R547-T565 HydrophobicContact CB-CG2 4.04Å; R547-T565 WeakPolarHBondContact CD-O 3.36Å; R547-T565 PolarHBondContact NH1-O 3.43Å; R553-T565 HydrophobicContact CG-CG2 4.09Å; Y555-T565 WeakPolarHBondContact CE2-O 3.44Å
566	S	88.8	Confident	88.3	Confident	23 Å²	23	75.4 Å²	75.4	16%	0.161	38%	0.376	C	S	.	.	S	Bend	trans	-136.2	149	-178.9	84.2	0	0	0	0	112.2	Y555 F564 G568 N569 L570	Y555-S566 VanDerWaalsContact CD2-C 3.4Å; F564-S566 VanDerWaalsContact C-N 3.32Å; S566-G568 VanDerWaalsContact C-N 3.33Å; S566-G568 PolarHBondContact O-N 2.94Å; S566-N569 PolarHBondContact O-N 3.28Å; S566-N569 WeakPolarHBondContact OG-CB 3.31Å; S566-N569 PolarHBondContact OG-N 2.86Å; S566-N569 PolarHBondContact OG-ND2 3.27Å; S566-N569 PolarHBondContact OG-OD1 3.35Å; S566-L570 PolarHBondContact O-N 3.34Å
567	R	88.8	Confident	88.1	Confident	174 Å²	174	71.4 Å²	71.4	66%	0.657	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-36.9	177.9	-173.2	176.5	-179	84.5	6.5	112.8	Y555 N569 L570 Q571	Y555-R567 HydrophobicContact CD1-CB 3.96Å; Y555-R567 HydrophobicContact CD1-CG 4.42Å; Y555-R567 HydrophobicContact CE1-CB 3.74Å; Y555-R567 HydrophobicContact CE1-CG 4.38Å; Y555-R567 HydrophobicContact CG-CB 4.48Å; R567-N569 VanDerWaalsContact C-N 3.32Å; R567-N569 PolarHBondContact O-N 3.49Å; R567-L570 PolarHBondContact O-N 3.46Å; R567-Q571 PolarHBondContact O-N 3.04Å
568	G	87	Confident	87.9	Confident	38 Å²	38	74 Å²	74	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-39.6	178	0	0	0	0	0	112.1	S566 Q571 C572	S566-G568 VanDerWaalsContact C-N 3.33Å; S566-G568 PolarHBondContact O-N 2.94Å; G568-Q571 PolarHBondContact O-N 3.09Å; G568-C572 PolarHBondContact O-N 3.29Å; G568-C572 PolarHBondContact O-SG 3.01Å
569	N	89.5	Confident	87.6	Confident	86 Å²	86	72.1 Å²	72.1	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-67.8	-41.1	177.3	-68.8	-0.9	0	0	0	111.6	F564 S566 R567 C572 H573	F564-N569 HydrophobicContact CB-CB 4.15Å; F564-N569 HydrophobicContact CD1-CB 3.91Å; F564-N569 HydrophobicContact CG-CB 4.28Å; S566-N569 PolarHBondContact O-N 3.28Å; S566-N569 WeakPolarHBondContact OG-CB 3.31Å; S566-N569 PolarHBondContact OG-N 2.86Å; S566-N569 PolarHBondContact OG-ND2 3.27Å; S566-N569 PolarHBondContact OG-OD1 3.35Å; R567-N569 VanDerWaalsContact C-N 3.32Å; R567-N569 PolarHBondContact O-N 3.49Å; N569-C572 PolarHBondContact O-N 2.81Å; N569-H573 WeakPolarHBondContact O-CB 3.49Å; N569-H573 PolarHBondContact O-N 3.27Å
570	L	90.9	Very high	87.6	Confident	14 Å²	14	70.5 Å²	70.5	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-48.8	172.7	171.8	61.9	0	0	0	111.2	K556 C557 F564 S566 R567 C572 H573 E574	K556-L570 WeakPolarHBondContact O-CD2 3.37Å; C557-L570 HydrophobicContact CB-CD1 3.75Å; F564-L570 HydrophobicContact CB-CB 4.22Å; F564-L570 HydrophobicContact CD2-CB 3.85Å; F564-L570 HydrophobicContact CD2-CD1 3.73Å; F564-L570 HydrophobicContact CD2-CG 4.4Å; F564-L570 HydrophobicContact CE2-CD1 3.97Å; F564-L570 HydrophobicContact CG-CB 4.22Å; S566-L570 PolarHBondContact O-N 3.34Å; R567-L570 PolarHBondContact O-N 3.46Å; L570-C572 VanDerWaalsContact C-N 3.33Å; L570-C572 PolarHBondContact O-N 3.42Å; L570-H573 CarbonylContact O-C 3.45Å; L570-H573 WeakPolarHBondContact O-CA 3.44Å; L570-H573 WeakPolarHBondContact O-CB 3.43Å; L570-H573 PolarHBondContact O-N 3Å; L570-E574 HydrophobicContact CD1-CG 3.99Å; L570-E574 HydrophobicContact CG-CG 4.38Å; L570-E574 WeakPolarHBondContact O-CG 3.08Å; L570-E574 PolarHBondContact O-N 2.93Å
571	Q	89.3	Confident	87.6	Confident	114 Å²	114	75.9 Å²	75.9	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-38.8	-179	-172.1	179	14	0	0	112.5	R567 G568 H573	R567-Q571 PolarHBondContact O-N 3.04Å; G568-Q571 PolarHBondContact O-N 3.09Å; Q571-H573 VanDerWaalsContact C-N 3.29Å
572	C	88	Confident	87.6	Confident	42 Å²	42	69 Å²	69	28%	0.284	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-32.4	173.5	-74.4	0	0	0	0	112.3	G568 N569 L570	G568-C572 PolarHBondContact O-N 3.29Å; G568-C572 PolarHBondContact O-SG 3.01Å; N569-C572 PolarHBondContact O-N 2.81Å; L570-C572 VanDerWaalsContact C-N 3.33Å; L570-C572 PolarHBondContact O-N 3.42Å
573	H	88.1	Confident	87.7	Confident	19 Å²	19	66.1 Å²	66.1	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-73.1	-41.5	177.1	165.6	72.4	0	0	0	112.7	C560 F564 N569 L570 Q571 R575 I576 H577	C560-H573 PolarHBondContact SG-NE2 3.06Å; F564-H573 HydrophobicContact CE1-CB 3.88Å; F564-H573 HydrophobicContact CE2-CB 3.77Å; F564-H573 AromaticContact CE2-CD2 3.28Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.44Å; F564-H573 AromaticContact CE2-CG 3.49Å; F564-H573 VanDerWaalsContact CE2-CG 3.49Å; F564-H573 AromaticContact CE2-NE2 3.95Å; F564-H573 HydrophobicContact CZ-CB 3.35Å; F564-H573 AromaticContact CZ-CD2 3.42Å; F564-H573 VanDerWaalsContact CZ-CD2 3.42Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.25Å; F564-H573 AromaticContact CZ-CG 3.12Å; F564-H573 AromaticContact CZ-ND1 3.59Å; F564-H573 AromaticContact CZ-NE2 3.97Å; N569-H573 WeakPolarHBondContact O-CB 3.49Å; N569-H573 PolarHBondContact O-N 3.27Å; L570-H573 CarbonylContact O-C 3.45Å; L570-H573 WeakPolarHBondContact O-CA 3.44Å; L570-H573 WeakPolarHBondContact O-CB 3.43Å; L570-H573 PolarHBondContact O-N 3Å; Q571-H573 VanDerWaalsContact C-N 3.29Å; H573-R575 PolarHBondContact O-N 3.49Å; H573-I576 VanDerWaalsContact O-CB 3.28Å; H573-I576 WeakPolarHBondContact O-CB 3.32Å; H573-I576 WeakPolarHBondContact O-CG1 3.36Å; H573-I576 PolarHBondContact O-N 3.37Å; H573-H577 AromaticContact CE1-NE2 3.79Å; H573-H577 AromaticContact NE2-CD2 3.92Å; H573-H577 AromaticContact NE2-NE2 3.47Å; H573-H577 PolarHBondContact NE2-NE2 2.8Å
574	E	88.7	Confident	87.5	Confident	57 Å²	57	69.9 Å²	69.9	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-56.6	-25.8	178.9	-75.7	173.4	169	0	0	112.8	L570 I576 H577 T578	L570-E574 HydrophobicContact CD1-CG 3.99Å; L570-E574 HydrophobicContact CG-CG 4.38Å; L570-E574 WeakPolarHBondContact O-CG 3.08Å; L570-E574 PolarHBondContact O-N 2.93Å; E574-I576 PolarHBondContact O-N 3.01Å; E574-I576 VanDerWaalsContact O-N 3.16Å; E574-H577 WeakPolarHBondContact O-CB 3.41Å; E574-H577 PolarHBondContact O-N 3.42Å; E574-T578 PolarHBondContact O-N 3.35Å
575	R	90.3	Very high	87.2	Confident	36 Å²	36	68.5 Å²	68.5	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-21.5	173.4	-63.3	177.7	-172.6	-161.6	-5.9	114.2	H573 H577 T578 G579 E580 A593	H573-R575 PolarHBondContact O-N 3.49Å; R575-H577 VanDerWaalsContact C-N 3.32Å; R575-T578 WeakPolarHBondContact CA-OG1 3.32Å; R575-G579 WeakPolarHBondContact O-CA 3.44Å; R575-G579 PolarHBondContact O-N 3.49Å; R575-E580 PolarHBondContact O-N 3.01Å; R575-A593 WeakPolarHBondContact CD-O 3.41Å; R575-A593 PolarHBondContact NH1-O 3.28Å
576	I	86.2	Confident	87	Confident	121 Å²	121	76.6 Å²	76.6	62%	0.621	38%	0.383	S	S	*	.	H	α-helix	trans	-70.2	-35.4	174.4	-59.9	171	0	0	0	110.1	H573 E574	H573-I576 VanDerWaalsContact O-CB 3.28Å; H573-I576 WeakPolarHBondContact O-CB 3.32Å; H573-I576 WeakPolarHBondContact O-CG1 3.36Å; H573-I576 PolarHBondContact O-N 3.37Å; E574-I576 PolarHBondContact O-N 3.01Å; E574-I576 VanDerWaalsContact O-N 3.16Å
577	H	83.9	Confident	86.4	Confident	77 Å²	77	80.5 Å²	80.5	36%	0.356	41%	0.406	S	S	.	.	H	α-helix	trans	-80.6	-41.2	178.4	-64.9	-72.1	0	0	0	112	Y559 C560 H573 E574 R575 G579	Y559-H577 WeakPolarHBondContact CB-ND1 3.36Å; Y559-H577 HydrophobicContact CD1-CB 4.4Å; Y559-H577 HydrophobicContact CD2-CB 3.74Å; Y559-H577 AromaticContact CD2-CG 3.96Å; Y559-H577 HydrophobicContact CE2-CB 4.34Å; Y559-H577 HydrophobicContact CG-CB 3.77Å; Y559-H577 AromaticContact CG-CG 3.82Å; C560-H577 PolarHBondContact SG-NE2 3.24Å; C560-H577 VanDerWaalsContact SG-NE2 3.38Å; H573-H577 AromaticContact CE1-NE2 3.79Å; H573-H577 AromaticContact NE2-CD2 3.92Å; H573-H577 AromaticContact NE2-NE2 3.47Å; H573-H577 PolarHBondContact NE2-NE2 2.8Å; E574-H577 WeakPolarHBondContact O-CB 3.41Å; E574-H577 PolarHBondContact O-N 3.42Å; R575-H577 VanDerWaalsContact C-N 3.32Å; H577-G579 VanDerWaalsContact C-N 3.28Å; H577-G579 PolarHBondContact O-N 3.07Å
578	T	84.7	Confident	86.1	Confident	66 Å²	66	74.8 Å²	74.8	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-77.7	-16	179	64.7	0	0	0	0	113	E574 R575 E580	E574-T578 PolarHBondContact O-N 3.35Å; R575-T578 WeakPolarHBondContact CA-OG1 3.32Å; T578-E580 PolarHBondContact O-N 2.71Å; T578-E580 WeakPolarHBondContact OG1-CB 3.31Å; T578-E580 WeakPolarHBondContact OG1-CG 3.34Å; T578-E580 PolarHBondContact OG1-N 3.38Å
579	G	81.9	Confident	85.9	Confident	53 Å²	53	74.6 Å²	74.6	55%	0.546	39%	0.39	S	S	.	.			trans	70.1	4	-173.7	0	0	0	0	0	113.9	R575 H577 R581	R575-G579 WeakPolarHBondContact O-CA 3.44Å; R575-G579 PolarHBondContact O-N 3.49Å; H577-G579 VanDerWaalsContact C-N 3.28Å; H577-G579 PolarHBondContact O-N 3.07Å; G579-R581 PolarHBondContact O-N 3.04Å
580	E	83.4	Confident	85.5	Confident	113 Å²	113	78.5 Å²	78.5	53%	0.528	40%	0.399	S	S	.	.			trans	-62.3	125.8	-177.4	-75.5	-179.2	-174.2	0	0	111.6	R575 T578 P582	R575-E580 PolarHBondContact O-N 3.01Å; T578-E580 PolarHBondContact O-N 2.71Å; T578-E580 WeakPolarHBondContact OG1-CB 3.31Å; T578-E580 WeakPolarHBondContact OG1-CG 3.34Å; T578-E580 PolarHBondContact OG1-N 3.38Å; E580-P582 WeakPolarHBondContact O-CD 3.4Å
581	R	87.2	Confident	85.4	Confident	150 Å²	150	83.5 Å²	83.5	57%	0.566	42%	0.416	S	S	*	.			trans	-121.3	81.5	173.8	-69.8	175	151	-161.1	-0.3	110.2	G579 Y583 R591 F592	G579-R581 PolarHBondContact O-N 3.04Å; R581-Y583 VanDerWaalsContact C-N 3.31Å; R581-Y583 PolarHBondContact O-N 2.98Å; R581-R591 HydrophobicContact CB-CB 3.62Å; R581-R591 WeakPolarHBondContact CD-O 3.43Å; R581-R591 PolarHBondContact NH1-O 2.86Å; R581-R591 PolarHBondContact O-NE 3.32Å; R581-R591 PolarHBondContact O-NH2 3.47Å; R581-F592 CarbonylContact C-O 3.49Å; R581-F592 WeakPolarHBondContact CA-O 3.01Å
582	P	85.2	Confident	85.3	Confident	59 Å²	59	79.7 Å²	79.7	38%	0.383	40%	0.398	S	S	.	.			trans	-71.8	-23	-172.9	-21.4	35.6	0	0	0	113.9	E580	E580-P582 WeakPolarHBondContact O-CD 3.4Å
583	Y	89.5	Confident	85.3	Confident	68 Å²	68	78.6 Å²	78.6	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	103	-171	-56.3	-70.3	0	0	0	110.6	R581 R591 F592 A593 R595	R581-Y583 VanDerWaalsContact C-N 3.31Å; R581-Y583 PolarHBondContact O-N 2.98Å; Y583-R591 CarbonylContact O-C 3.57Å; Y583-R591 WeakPolarHBondContact O-CA 3.4Å; Y583-F592 PolarHBondContact N-O 3.44Å; Y583-F592 PolarHBondContact O-N 3.21Å; Y583-A593 WeakPolarHBondContact CE2-O 3.3Å; Y583-R595 HydrophobicContact CD1-CB 4.16Å; Y583-R595 HydrophobicContact CD2-CB 4.37Å; Y583-R595 VanDerWaalsContact CD2-N 3.28Å; Y583-R595 HydrophobicContact CE1-CB 3.9Å; Y583-R595 HydrophobicContact CE1-CG 4.43Å; Y583-R595 HydrophobicContact CE2-CB 4.06Å; Y583-R595 HydrophobicContact CG-CB 4.39Å
584	Q	86.8	Confident	85.2	Confident	98 Å²	98	80.9 Å²	80.9	46%	0.458	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	179.6	-174.9	171.8	11.1	0	0	111.2	G589 R591	Q584-G589 WeakPolarHBondContact CG-O 3.43Å; Q584-G589 PolarHBondContact NE2-O 3.45Å; Q584-R591 HydrophobicContact CB-CG 4.09Å; Q584-R591 HydrophobicContact CG-CG 4.01Å
585	C	83.2	Confident	85.1	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	42%	0.42	C	S	.	.			trans	-71.4	125.7	168.6	-179.3	0	0	0	0	109.8	T587 G589 R590 F592 L598 H605	C585-T587 VanDerWaalsContact C-N 3.32Å; C585-T587 PolarHBondContact O-N 3.25Å; C585-G589 WeakPolarHBondContact O-CA 3.19Å; C585-G589 PolarHBondContact O-N 3.49Å; C585-R590 PolarHBondContact N-O 3.4Å; C585-F592 HydrophobicContact CB-CE2 4.26Å; C585-L598 VanDerWaalsContact CA-CD1 3.43Å; C585-L598 HydrophobicContact CB-CD1 3.6Å; C585-H605 PolarHBondContact SG-CD2 2.83Å; C585-H605 PolarHBondContact SG-NE2 2.98Å
586	K	85.4	Confident	84.7	Confident	201 Å²	201	88 Å²	88	87%	0.874	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-33	-179.6	-63.7	-175.7	177.5	-174.6	0	112.5
587	T	76.9	Confident	84.6	Confident	105 Å²	105	85.3 Å²	85.3	64%	0.644	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-37.3	-174.1	-40.4	0	0	0	0	113.4	C585 H605	C585-T587 VanDerWaalsContact C-N 3.32Å; C585-T587 PolarHBondContact O-N 3.25Å; T587-H605 HydrophobicContact CG2-CB 3.92Å
588	C	81.1	Confident	84.5	Confident	54 Å²	54	82.3 Å²	82.3	37%	0.365	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	6.6	-178.8	78.8	0	0	0	0	115.1	R590 H601 H605	C588-R590 PolarHBondContact O-N 3.36Å; C588-H601 PolarHBondContact SG-NE2 3.42Å; C588-H605 WeakPolarHBondContact CB-CE1 3.34Å; C588-H605 VanDerWaalsContact SG-CE1 3.55Å; C588-H605 PolarHBondContact SG-NE2 3.09Å
589	G	83.6	Confident	84.3	Confident	33 Å²	33	82.6 Å²	82.6	34%	0.34	41%	0.412	S	S	.	.			trans	69.5	-2.9	177.8	0	0	0	0	0	116.1	Q584 C585 R591	Q584-G589 WeakPolarHBondContact CG-O 3.43Å; Q584-G589 PolarHBondContact NE2-O 3.45Å; C585-G589 WeakPolarHBondContact O-CA 3.19Å; C585-G589 PolarHBondContact O-N 3.49Å; G589-R591 PolarHBondContact O-N 3.25Å
590	R	82.5	Confident	83.8	Confident	169 Å²	169	81.7 Å²	81.7	64%	0.638	40%	0.397	S	S	*	.			trans	-64	133.9	-179.9	-76.9	-176.8	-176.9	-148.7	1.6	110.7	C585 C588 F592	C585-R590 PolarHBondContact N-O 3.4Å; C588-R590 PolarHBondContact O-N 3.36Å; R590-F592 HydrophobicContact CB-CE2 3.84Å; R590-F592 HydrophobicContact CB-CZ 3.95Å; R590-F592 WeakPolarHBondContact O-CE2 3.49Å
591	R	88.8	Confident	83.5	Confident	118 Å²	118	77.5 Å²	77.5	45%	0.445	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.8	-179.3	-53	-174.9	73	117	-2.5	111.3	R581 Y583 Q584 G589	R581-R591 HydrophobicContact CB-CB 3.62Å; R581-R591 WeakPolarHBondContact CD-O 3.43Å; R581-R591 PolarHBondContact NH1-O 2.86Å; R581-R591 PolarHBondContact O-NE 3.32Å; R581-R591 PolarHBondContact O-NH2 3.47Å; Y583-R591 CarbonylContact O-C 3.57Å; Y583-R591 WeakPolarHBondContact O-CA 3.4Å; Q584-R591 HydrophobicContact CB-CG 4.09Å; Q584-R591 HydrophobicContact CG-CG 4.01Å; G589-R591 PolarHBondContact O-N 3.25Å
592	F	86.1	Confident	83.1	Confident	35 Å²	35	73.8 Å²	73.8	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.4	-177.4	-60.4	-86.7	0	0	0	111	R581 Y583 C585 R590 Q597 L598 H601	R581-F592 CarbonylContact C-O 3.49Å; R581-F592 WeakPolarHBondContact CA-O 3.01Å; Y583-F592 PolarHBondContact N-O 3.44Å; Y583-F592 PolarHBondContact O-N 3.21Å; C585-F592 HydrophobicContact CB-CE2 4.26Å; R590-F592 HydrophobicContact CB-CE2 3.84Å; R590-F592 HydrophobicContact CB-CZ 3.95Å; R590-F592 WeakPolarHBondContact O-CE2 3.49Å; F592-Q597 HydrophobicContact CB-CB 4.02Å; F592-Q597 HydrophobicContact CD1-CB 3.81Å; F592-Q597 HydrophobicContact CG-CB 4.17Å; F592-L598 HydrophobicContact CB-CB 4.28Å; F592-L598 HydrophobicContact CD2-CB 3.95Å; F592-L598 HydrophobicContact CD2-CD1 3.8Å; F592-L598 HydrophobicContact CE2-CD1 4.05Å; F592-L598 HydrophobicContact CG-CB 4.3Å; F592-H601 HydrophobicContact CE1-CB 3.85Å; F592-H601 AromaticContact CE1-CG 4Å; F592-H601 HydrophobicContact CE2-CB 3.79Å; F592-H601 AromaticContact CE2-CD2 3.28Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.35Å; F592-H601 AromaticContact CE2-CG 3.52Å; F592-H601 AromaticContact CE2-NE2 3.95Å; F592-H601 HydrophobicContact CZ-CB 3.37Å; F592-H601 AromaticContact CZ-CD2 3.34Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.09Å; F592-H601 AromaticContact CZ-ND1 3.57Å; F592-H601 AromaticContact CZ-NE2 3.86Å
593	A	87.3	Confident	82.4	Confident	19 Å²	19	72.7 Å²	72.7	16%	0.157	36%	0.359	C	S	.	.	S	Bend	trans	-74.7	-31.1	178.4	0	0	0	0	0	111.7	R575 Y583	R575-A593 WeakPolarHBondContact CD-O 3.41Å; R575-A593 PolarHBondContact NH1-O 3.28Å; Y583-A593 WeakPolarHBondContact CE2-O 3.3Å
594	Q	86.3	Confident	81.4	Confident	66 Å²	66	73.3 Å²	73.3	31%	0.308	37%	0.369	S	S	.	.	S	Bend	trans	-124.5	149.7	-177.3	-58.8	-178.3	14.5	0	0	112.4	S596 Q597 L598	Q594-S596 PolarHBondContact O-N 3.46Å; Q594-Q597 HydrophobicContact CB-CG 4.07Å; Q594-Q597 WeakPolarHBondContact O-CB 3.49Å; Q594-Q597 PolarHBondContact O-N 3.13Å; Q594-L598 PolarHBondContact O-N 2.91Å
595	R	87	Confident	80.6	Confident	167 Å²	167	71.1 Å²	71.1	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-66.4	-38	-179.7	-175.1	179	175.5	95.6	2.1	111.7	Y583 Q597 L598 V599	Y583-R595 HydrophobicContact CD1-CB 4.16Å; Y583-R595 HydrophobicContact CD2-CB 4.37Å; Y583-R595 VanDerWaalsContact CD2-N 3.28Å; Y583-R595 HydrophobicContact CE1-CB 3.9Å; Y583-R595 HydrophobicContact CE1-CG 4.43Å; Y583-R595 HydrophobicContact CE2-CB 4.06Å; Y583-R595 HydrophobicContact CG-CB 4.39Å; R595-Q597 VanDerWaalsContact C-N 3.27Å; R595-Q597 PolarHBondContact O-N 2.98Å; R595-L598 PolarHBondContact O-N 3.49Å; R595-L598 VanDerWaalsContact O-N 3.17Å; R595-V599 HydrophobicContact CG-CG2 4.28Å; R595-V599 WeakPolarHBondContact O-CG2 3.37Å; R595-V599 PolarHBondContact O-N 3.06Å
596	S	82.1	Confident	79.7	Confident	76 Å²	76	77.9 Å²	77.9	53%	0.531	39%	0.389	S	S	.	.	H	α-helix	trans	-57.8	-39.7	175.8	47.8	0	0	0	0	112.2	Q594 V599 S600	Q594-S596 PolarHBondContact O-N 3.46Å; S596-V599 PolarHBondContact O-N 2.91Å; S596-S600 WeakPolarHBondContact O-CB 3.43Å; S596-S600 PolarHBondContact O-N 3.18Å; S596-S600 PolarHBondContact O-OG 2.76Å
597	Q	82.9	Confident	78.1	Confident	64 Å²	64	74.9 Å²	74.9	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-39.6	176.1	-62.9	167.4	-9.3	0	0	112.1	F592 Q594 R595 S600 H601	F592-Q597 HydrophobicContact CB-CB 4.02Å; F592-Q597 HydrophobicContact CD1-CB 3.81Å; F592-Q597 HydrophobicContact CG-CB 4.17Å; Q594-Q597 HydrophobicContact CB-CG 4.07Å; Q594-Q597 WeakPolarHBondContact O-CB 3.49Å; Q594-Q597 PolarHBondContact O-N 3.13Å; R595-Q597 VanDerWaalsContact C-N 3.27Å; R595-Q597 PolarHBondContact O-N 2.98Å; Q597-S600 WeakPolarHBondContact CA-OG 3.36Å; Q597-S600 PolarHBondContact O-OG 2.84Å; Q597-H601 WeakPolarHBondContact O-CB 3.45Å; Q597-H601 PolarHBondContact O-N 3.48Å
598	L	83	Confident	77.1	Confident	14 Å²	14	74.1 Å²	74.1	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-50	173.2	171.5	62.1	0	0	0	110.5	C585 F592 Q594 R595 S600 H601 E602	C585-L598 VanDerWaalsContact CA-CD1 3.43Å; C585-L598 HydrophobicContact CB-CD1 3.6Å; F592-L598 HydrophobicContact CB-CB 4.28Å; F592-L598 HydrophobicContact CD2-CB 3.95Å; F592-L598 HydrophobicContact CD2-CD1 3.8Å; F592-L598 HydrophobicContact CE2-CD1 4.05Å; F592-L598 HydrophobicContact CG-CB 4.3Å; Q594-L598 PolarHBondContact O-N 2.91Å; R595-L598 PolarHBondContact O-N 3.49Å; R595-L598 VanDerWaalsContact O-N 3.17Å; L598-S600 VanDerWaalsContact C-N 3.35Å; L598-S600 PolarHBondContact O-N 3.41Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.2Å; L598-H601 WeakPolarHBondContact O-CB 3.42Å; L598-H601 PolarHBondContact O-N 3.34Å; L598-E602 HydrophobicContact CD1-CG 3.83Å; L598-E602 HydrophobicContact CG-CG 4.22Å; L598-E602 WeakPolarHBondContact O-CG 3.23Å; L598-E602 PolarHBondContact O-N 2.94Å
599	V	80	Confident	75.3	Confident	72 Å²	72	72.5 Å²	72.5	44%	0.436	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-45	-179.4	172.2	0	0	0	0	110.8	R595 S596 H601 E602 T603	R595-V599 HydrophobicContact CG-CG2 4.28Å; R595-V599 WeakPolarHBondContact O-CG2 3.37Å; R595-V599 PolarHBondContact O-N 3.06Å; S596-V599 PolarHBondContact O-N 2.91Å; V599-H601 PolarHBondContact O-N 3.39Å; V599-E602 PolarHBondContact O-N 3.32Å; V599-T603 WeakPolarHBondContact O-CG2 3.45Å; V599-T603 PolarHBondContact O-N 3Å
600	S	72.7	Confident	73.7	Confident	34 Å²	34	74.7 Å²	74.7	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-62.2	-34.5	174.7	63.9	0	0	0	0	111.9	S596 Q597 L598 T603	S596-S600 WeakPolarHBondContact O-CB 3.43Å; S596-S600 PolarHBondContact O-N 3.18Å; S596-S600 PolarHBondContact O-OG 2.76Å; Q597-S600 WeakPolarHBondContact CA-OG 3.36Å; Q597-S600 PolarHBondContact O-OG 2.84Å; L598-S600 VanDerWaalsContact C-N 3.35Å; L598-S600 PolarHBondContact O-N 3.41Å; S600-T603 PolarHBondContact O-OG1 3.49Å
601	H	77.2	Confident	72.1	Confident	25 Å²	25	69.1 Å²	69.1	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-74.7	-35.4	176.8	171.8	73.5	0	0	0	113.5	C588 F592 Q597 L598 V599 T603 V604 H605	C588-H601 PolarHBondContact SG-NE2 3.42Å; F592-H601 HydrophobicContact CE1-CB 3.85Å; F592-H601 AromaticContact CE1-CG 4Å; F592-H601 HydrophobicContact CE2-CB 3.79Å; F592-H601 AromaticContact CE2-CD2 3.28Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.35Å; F592-H601 AromaticContact CE2-CG 3.52Å; F592-H601 AromaticContact CE2-NE2 3.95Å; F592-H601 HydrophobicContact CZ-CB 3.37Å; F592-H601 AromaticContact CZ-CD2 3.34Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.09Å; F592-H601 AromaticContact CZ-ND1 3.57Å; F592-H601 AromaticContact CZ-NE2 3.86Å; Q597-H601 WeakPolarHBondContact O-CB 3.45Å; Q597-H601 PolarHBondContact O-N 3.48Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.2Å; L598-H601 WeakPolarHBondContact O-CB 3.42Å; L598-H601 PolarHBondContact O-N 3.34Å; V599-H601 PolarHBondContact O-N 3.39Å; H601-T603 PolarHBondContact O-N 2.8Å; H601-V604 VanDerWaalsContact O-CB 3.23Å; H601-V604 WeakPolarHBondContact O-CB 3.32Å; H601-V604 WeakPolarHBondContact O-CG2 3.32Å; H601-V604 PolarHBondContact O-N 3.36Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-NE2 3.55Å; H601-H605 AromaticContact NE2-CD2 3.81Å; H601-H605 AromaticContact NE2-CE1 3.98Å; H601-H605 AromaticContact NE2-NE2 2.99Å; H601-H605 PolarHBondContact NE2-NE2 2.98Å
602	E	76.8	Confident	70.4	Confident	73 Å²	73	67.5 Å²	67.5	34%	0.341	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-24.5	176.5	-76.3	175.7	160.8	0	0	111.8	L598 V599 V604 H605	L598-E602 HydrophobicContact CD1-CG 3.83Å; L598-E602 HydrophobicContact CG-CG 4.22Å; L598-E602 WeakPolarHBondContact O-CG 3.23Å; L598-E602 PolarHBondContact O-N 2.94Å; V599-E602 PolarHBondContact O-N 3.32Å; E602-V604 PolarHBondContact O-N 3.23Å; E602-H605 PolarHBondContact O-N 3.49Å
603	T	71.5	Confident	69.3	Low	35 Å²	35	72.9 Å²	72.9	22%	0.215	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.8	170.5	75.8	0	0	0	0	113.8	V599 S600 H601 H605 G609 P611	V599-T603 WeakPolarHBondContact O-CG2 3.45Å; V599-T603 PolarHBondContact O-N 3Å; S600-T603 PolarHBondContact O-OG1 3.49Å; H601-T603 PolarHBondContact O-N 2.8Å; T603-H605 VanDerWaalsContact C-N 3.3Å; T603-G609 CarbonylContact O-C 3.55Å; T603-P611 HydrophobicContact CG2-CG 4.39Å
604	V	69.1	Low	68.5	Low	81 Å²	81	74.6 Å²	74.6	49%	0.491	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.7	176.9	-164.5	0	0	0	0	111.5	H601 E602	H601-V604 VanDerWaalsContact O-CB 3.23Å; H601-V604 WeakPolarHBondContact O-CB 3.32Å; H601-V604 WeakPolarHBondContact O-CG2 3.32Å; H601-V604 PolarHBondContact O-N 3.36Å; E602-V604 PolarHBondContact O-N 3.23Å
605	H	69.1	Low	67.9	Low	53 Å²	53	73 Å²	73	25%	0.245	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.5	-178.2	-66.7	-53	0	0	0	114.5	C585 T587 C588 H601 E602 T603 P607	C585-H605 PolarHBondContact SG-CD2 2.83Å; C585-H605 PolarHBondContact SG-NE2 2.98Å; T587-H605 HydrophobicContact CG2-CB 3.92Å; C588-H605 WeakPolarHBondContact CB-CE1 3.34Å; C588-H605 VanDerWaalsContact SG-CE1 3.55Å; C588-H605 PolarHBondContact SG-NE2 3.09Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-NE2 3.55Å; H601-H605 AromaticContact NE2-CD2 3.81Å; H601-H605 AromaticContact NE2-CE1 3.98Å; H601-H605 AromaticContact NE2-NE2 2.99Å; H601-H605 PolarHBondContact NE2-NE2 2.98Å; E602-H605 PolarHBondContact O-N 3.49Å; T603-H605 VanDerWaalsContact C-N 3.3Å; H605-P607 VanDerWaalsContact O-CD 3.25Å; H605-P607 WeakPolarHBondContact O-CD 3.4Å
606	K	65.2	Low	67.6	Low	142 Å²	142	65.5 Å²	65.5	62%	0.617	39%	0.393	S	S	*	.	S	Bend	trans	-67.2	117	175.6	-71.4	-171.5	176.2	-172.6	0	108.7	G608 G609	K606-G608 PolarHBondContact O-N 3.4Å; K606-G609 WeakPolarHBondContact CB-O 3.25Å; K606-G609 PolarHBondContact O-N 3.23Å
607	P	50.9	Low	67.6	Low	138 Å²	138	71 Å²	71	90%	0.896	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	124.7	175.6	-16.2	29.5	0	0	0	108.2	H605	H605-P607 VanDerWaalsContact O-CD 3.25Å; H605-P607 WeakPolarHBondContact O-CD 3.4Å
608	G	55.4	Low	67.6	Low	89 Å²	89	74.8 Å²	74.8	92%	0.918	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	8.3	-177	0	0	0	0	0	116.3	K606	K606-G608 PolarHBondContact O-N 3.4Å
609	G	44.7	Very low	67.7	Low	20 Å²	20	75.7 Å²	75.7	21%	0.206	43%	0.428	C	S	.	.			trans	-166.4	91.7	-179.3	0	0	0	0	0	118.6	T603 K606	T603-G609 CarbonylContact O-C 3.55Å; K606-G609 WeakPolarHBondContact CB-O 3.25Å; K606-G609 PolarHBondContact O-N 3.23Å
610	K	49.4	Very low	67.5	Low	79 Å²	79	80.1 Å²	80.1	34%	0.343	45%	0.449	S	S	.	.	S	Bend		-52.4	146.2	123.8	-56.3	171.8	176.8	175.9	0	105.4	A612 R622	K610-A612 PolarHBondContact O-N 3.29Å; K610-R622 HydrophobicContact CD-CB 3.43Å; K610-R622 VanDerWaalsContact CD-CB 3.43Å; K610-R622 HydrophobicContact CD-CG 4.27Å; K610-R622 PolarHBondContact NZ-O 2.83Å; K610-R622 PolarHBondContact O-NH2 3.38Å
611	P	49.6	Very low	67.7	Low	52 Å²	52	84.6 Å²	84.6	34%	0.338	46%	0.464	S	S	.	.			trans	-53.9	128.9	174.3	-20.4	32.5	0	0	0	107.7	T603 E613 F614 R622	T603-P611 HydrophobicContact CG2-CG 4.39Å; P611-E613 HydrophobicContact CB-CB 4.15Å; P611-E613 HydrophobicContact CB-CG 4.26Å; P611-E613 PolarHBondContact O-N 3.08Å; P611-F614 PolarHBondContact O-N 3.17Å; P611-R622 PolarHBondContact O-NH2 3.34Å
612	A	53.1	Low	67.5	Low	83 Å²	83	87.4 Å²	87.4	69%	0.686	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-52.4	-22.4	170.9	0	0	0	0	0	111.2	K610 F614 A615	K610-A612 PolarHBondContact O-N 3.29Å; A612-F614 VanDerWaalsContact C-N 3.28Å; A612-F614 PolarHBondContact O-N 3.1Å; A612-F614 VanDerWaalsContact O-N 3.15Å; A612-A615 PolarHBondContact O-N 3.16Å
613	E	61.6	Low	67.3	Low	148 Å²	148	86.4 Å²	86.4	69%	0.692	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-54.5	-33.3	-177.1	-61.3	-174.4	173.3	0	0	115	P611	P611-E613 HydrophobicContact CB-CB 4.15Å; P611-E613 HydrophobicContact CB-CG 4.26Å; P611-E613 PolarHBondContact O-N 3.08Å
614	F	71.7	Confident	67.2	Low	55 Å²	55	87.2 Å²	87.2	24%	0.241	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-118.3	35.6	-177.7	-49.7	-46.6	0	0	0	114.4	P611 A612 F623 S626 L629	P611-F614 PolarHBondContact O-N 3.17Å; A612-F614 VanDerWaalsContact C-N 3.28Å; A612-F614 PolarHBondContact O-N 3.1Å; A612-F614 VanDerWaalsContact O-N 3.15Å; F614-F623 PolarHBondContact O-N 3.38Å; F614-S626 VanDerWaalsContact CD1-CA 3.44Å; F614-L629 HydrophobicContact CB-CB 4.17Å; F614-L629 HydrophobicContact CB-CD2 4.17Å; F614-L629 HydrophobicContact CD1-CD2 4.37Å
615	A	73.7	Confident	67.5	Low	32 Å²	32	89.4 Å²	89.4	26%	0.264	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-84.9	144	167.1	0	0	0	0	0	111.3	A612 R622 L629	A612-A615 PolarHBondContact O-N 3.16Å; A615-R622 HydrophobicContact CB-CG 4.01Å; A615-L629 WeakPolarHBondContact O-CD1 3.49Å; A615-L629 WeakPolarHBondContact O-CD2 3.43Å
616	C	80	Confident	68	Low	11 Å²	11	90.1 Å²	90.1	7%	0.074	50%	0.495	C	S	.	.			trans	-70	138.3	169.9	-170.9	0	0	0	0	110.1	Y618 C619 K621 L629 H632 H636	C616-Y618 VanDerWaalsContact C-N 3.31Å; C616-Y618 PolarHBondContact SG-N 3.44Å; C616-Y618 VanDerWaalsContact SG-N 3.42Å; C616-C619 WeakPolarHBondContact CB-O 3.47Å; C616-C619 VanDerWaalsContact O-O 3.04Å; C616-K621 PolarHBondContact N-O 2.8Å; C616-L629 HydrophobicContact CB-CD1 4Å; C616-H632 WeakPolarHBondContact CB-NE2 3.16Å; C616-H632 VanDerWaalsContact SG-CD2 3.5Å; C616-H632 PolarHBondContact SG-NE2 3.46Å; C616-H636 PolarHBondContact SG-CD2 3.13Å; C616-H636 PolarHBondContact SG-NE2 2.66Å
617	K	81.5	Confident	68.8	Low	191 Å²	191	86.8 Å²	86.8	83%	0.83	49%	0.489	S	S	*	.	S	Bend	trans	-74.8	-21.9	174.6	-66.6	-172.8	175.8	-174	0	113
618	Y	83.7	Confident	70.3	Confident	143 Å²	143	82.5 Å²	82.5	56%	0.561	46%	0.462	S	S	*	.	S	Bend	trans	-107.1	-5.7	-172.8	-55	-72.3	0	0	0	113.8	C616 I633 H636 T637	C616-Y618 VanDerWaalsContact C-N 3.31Å; C616-Y618 PolarHBondContact SG-N 3.44Å; C616-Y618 VanDerWaalsContact SG-N 3.42Å; Y618-I633 HydrophobicContact CE2-CG2 4.19Å; Y618-H636 VanDerWaalsContact CB-CG 3.44Å; Y618-H636 WeakPolarHBondContact CB-ND1 3.48Å; Y618-H636 HydrophobicContact CD2-CB 3.48Å; Y618-H636 VanDerWaalsContact CD2-CB 3.48Å; Y618-H636 AromaticContact CD2-CG 3.81Å; Y618-H636 HydrophobicContact CE2-CB 4.14Å; Y618-H636 HydrophobicContact CG-CB 3.84Å; Y618-H636 AromaticContact CG-CG 3.91Å; Y618-T637 HydrophobicContact CE2-CG2 4.36Å
619	C	84.3	Confident	71.6	Confident	34 Å²	34	79.1 Å²	79.1	23%	0.23	42%	0.423	C	S	.	.	S	Bend	trans	-159.1	168	173.5	71.1	0	0	0	0	111.7	C616 K621 H632 H636	C616-C619 WeakPolarHBondContact CB-O 3.47Å; C616-C619 VanDerWaalsContact O-O 3.04Å; C619-K621 PolarHBondContact O-N 3.17Å; C619-H632 VanDerWaalsContact SG-CE1 3.59Å; C619-H632 PolarHBondContact SG-NE2 3.46Å; C619-H636 PolarHBondContact SG-NE2 3.37Å
620	D	77.6	Confident	73.6	Confident	165 Å²	165	84 Å²	84	88%	0.882	44%	0.436	S	S	*	.	S	Bend	trans	-75.4	10.2	-176.8	-56	-48.1	0	0	0	114.9
621	K	75.9	Confident	75.4	Confident	128 Å²	128	82.5 Å²	82.5	56%	0.557	43%	0.433	S	S	*	.			trans	-76.4	132.8	178.8	-64.7	-179	-164.8	-75.1	0	110.4	C616 C619 F623	C616-K621 PolarHBondContact N-O 2.8Å; C619-K621 PolarHBondContact O-N 3.17Å; K621-F623 HydrophobicContact CB-CE2 3.84Å; K621-F623 HydrophobicContact CB-CZ 3.97Å
622	R	72.9	Confident	77.1	Confident	84 Å²	84	80.8 Å²	80.8	32%	0.317	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-127.1	131.6	-178.6	-53.5	-179.9	70.2	-174	11.2	110.5	K610 P611 A615	K610-R622 HydrophobicContact CD-CB 3.43Å; K610-R622 VanDerWaalsContact CD-CB 3.43Å; K610-R622 HydrophobicContact CD-CG 4.27Å; K610-R622 PolarHBondContact NZ-O 2.83Å; K610-R622 PolarHBondContact O-NH2 3.38Å; P611-R622 PolarHBondContact O-NH2 3.34Å; A615-R622 HydrophobicContact CB-CG 4.01Å
623	F	72.2	Confident	78.7	Confident	51 Å²	51	78.7 Å²	78.7	22%	0.224	40%	0.398	C	S	.	.			trans	-109.3	154.6	-169	-62.5	-92.2	0	0	0	112.3	F614 K621 L629 H632	F614-F623 PolarHBondContact O-N 3.38Å; K621-F623 HydrophobicContact CB-CE2 3.84Å; K621-F623 HydrophobicContact CB-CZ 3.97Å; F623-L629 HydrophobicContact CB-CB 4.1Å; F623-L629 HydrophobicContact CD2-CB 3.92Å; F623-L629 HydrophobicContact CD2-CD1 3.71Å; F623-L629 HydrophobicContact CD2-CG 4.46Å; F623-L629 HydrophobicContact CE2-CD1 4.06Å; F623-L629 HydrophobicContact CG-CB 4.16Å; F623-H632 HydrophobicContact CE1-CB 3.72Å; F623-H632 HydrophobicContact CE2-CB 3.7Å; F623-H632 AromaticContact CE2-CD2 3.19Å; F623-H632 WeakPolarHBondContact CE2-CD2 3.46Å; F623-H632 AromaticContact CE2-CG 3.41Å; F623-H632 VanDerWaalsContact CE2-CG 3.41Å; F623-H632 AromaticContact CE2-NE2 3.88Å; F623-H632 HydrophobicContact CZ-CB 3.25Å; F623-H632 AromaticContact CZ-CD2 3.39Å; F623-H632 WeakPolarHBondContact CZ-CD2 3.23Å; F623-H632 AromaticContact CZ-CG 3.07Å; F623-H632 AromaticContact CZ-ND1 3.59Å; F623-H632 AromaticContact CZ-NE2 3.99Å
624	G	69.9	Low	80.1	Confident	52 Å²	52	72.6 Å²	72.6	54%	0.536	37%	0.369	S	S	.	.	S	Bend	trans	-81	-13.6	177.4	0	0	0	0	0	114.7
625	Y	76.2	Confident	80.8	Confident	128 Å²	128	75.3 Å²	75.3	50%	0.502	39%	0.385	S	S	.	.	S	Bend	trans	-142.7	145.9	-176.9	-56.6	-73.3	0	0	0	110.7	S627 S628 L629	Y625-S627 VanDerWaalsContact C-N 3.32Å; Y625-S627 PolarHBondContact O-N 2.98Å; Y625-S628 WeakPolarHBondContact O-CB 3.16Å; Y625-S628 PolarHBondContact O-N 3.36Å; Y625-S628 VanDerWaalsContact O-N 3.13Å; Y625-L629 PolarHBondContact O-N 2.94Å; Y625-L629 VanDerWaalsContact O-N 3.12Å
626	S	78.6	Confident	81.5	Confident	68 Å²	68	77.5 Å²	77.5	48%	0.476	39%	0.389	S	S	.	.	H	α-helix	trans	-54.9	-43.8	175.7	60.9	0	0	0	0	113.1	F614 S628 L629 Y630	F614-S626 VanDerWaalsContact CD1-CA 3.44Å; S626-S628 VanDerWaalsContact C-N 3.28Å; S626-S628 PolarHBondContact O-N 2.81Å; S626-L629 PolarHBondContact O-N 3.12Å; S626-Y630 WeakPolarHBondContact O-CB 3.37Å; S626-Y630 PolarHBondContact O-N 3.06Å
627	S	81.2	Confident	81.9	Confident	72 Å²	72	79.8 Å²	79.8	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-34.6	179.3	57.5	0	0	0	0	112.6	Y625 V631	Y625-S627 VanDerWaalsContact C-N 3.32Å; Y625-S627 PolarHBondContact O-N 2.98Å; S627-V631 WeakPolarHBondContact O-CB 3.45Å; S627-V631 VanDerWaalsContact O-CG2 3.28Å; S627-V631 WeakPolarHBondContact O-CG2 3.38Å; S627-V631 PolarHBondContact O-N 3.1Å
628	S	83.4	Confident	82	Confident	47 Å²	47	73.1 Å²	73.1	33%	0.329	39%	0.388	S	S	.	.	H	α-helix	trans	-73	-39.6	177.4	-57.2	0	0	0	0	111.4	Y625 S626 H632	Y625-S628 WeakPolarHBondContact O-CB 3.16Å; Y625-S628 PolarHBondContact O-N 3.36Å; Y625-S628 VanDerWaalsContact O-N 3.13Å; S626-S628 VanDerWaalsContact C-N 3.28Å; S626-S628 PolarHBondContact O-N 2.81Å; S628-H632 WeakPolarHBondContact O-CB 3.28Å; S628-H632 PolarHBondContact O-N 2.93Å; S628-H632 VanDerWaalsContact O-N 3.09Å
629	L	82.4	Confident	82.1	Confident	18 Å²	18	71 Å²	71	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-49.6	171.4	170	64	0	0	0	110.6	F614 A615 C616 F623 Y625 S626 V631 H632 I633	F614-L629 HydrophobicContact CB-CB 4.17Å; F614-L629 HydrophobicContact CB-CD2 4.17Å; F614-L629 HydrophobicContact CD1-CD2 4.37Å; A615-L629 WeakPolarHBondContact O-CD1 3.49Å; A615-L629 WeakPolarHBondContact O-CD2 3.43Å; C616-L629 HydrophobicContact CB-CD1 4Å; F623-L629 HydrophobicContact CB-CB 4.1Å; F623-L629 HydrophobicContact CD2-CB 3.92Å; F623-L629 HydrophobicContact CD2-CD1 3.71Å; F623-L629 HydrophobicContact CD2-CG 4.46Å; F623-L629 HydrophobicContact CE2-CD1 4.06Å; F623-L629 HydrophobicContact CG-CB 4.16Å; Y625-L629 PolarHBondContact O-N 2.94Å; Y625-L629 VanDerWaalsContact O-N 3.12Å; S626-L629 PolarHBondContact O-N 3.12Å; L629-V631 PolarHBondContact O-N 2.8Å; L629-H632 CarbonylContact O-C 3.58Å; L629-H632 WeakPolarHBondContact O-CA 3.43Å; L629-H632 WeakPolarHBondContact O-CB 3.34Å; L629-H632 PolarHBondContact O-N 3.44Å; L629-I633 HydrophobicContact CD1-CD1 3.88Å; L629-I633 HydrophobicContact CD1-CG1 3.87Å; L629-I633 HydrophobicContact CD2-CD1 4.12Å; L629-I633 HydrophobicContact CG-CD1 3.73Å; L629-I633 HydrophobicContact CG-CG1 4.17Å; L629-I633 WeakPolarHBondContact O-CG1 3.32Å; L629-I633 PolarHBondContact O-N 3.12Å
630	Y	86.9	Confident	82.4	Confident	123 Å²	123	76.1 Å²	76.1	48%	0.482	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-42.1	-175.6	-175.1	-113.1	0	0	0	112.4	S626 H632 I633 R634	S626-Y630 WeakPolarHBondContact O-CB 3.37Å; S626-Y630 PolarHBondContact O-N 3.06Å; Y630-H632 PolarHBondContact O-N 2.9Å; Y630-I633 PolarHBondContact O-N 3.46Å; Y630-R634 PolarHBondContact O-N 3.25Å
631	V	86.5	Confident	82.9	Confident	47 Å²	47	71.5 Å²	71.5	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-32.2	171.9	170.5	0	0	0	0	111.8	S627 L629	S627-V631 WeakPolarHBondContact O-CB 3.45Å; S627-V631 VanDerWaalsContact O-CG2 3.28Å; S627-V631 WeakPolarHBondContact O-CG2 3.38Å; S627-V631 PolarHBondContact O-N 3.1Å; L629-V631 PolarHBondContact O-N 2.8Å
632	H	86.1	Confident	83.6	Confident	16 Å²	16	69 Å²	69	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-74.6	-40.3	175.1	165.5	72.4	0	0	0	113.1	C616 C619 F623 S628 L629 Y630 R634 L635 H636	C616-H632 WeakPolarHBondContact CB-NE2 3.16Å; C616-H632 VanDerWaalsContact SG-CD2 3.5Å; C616-H632 PolarHBondContact SG-NE2 3.46Å; C619-H632 VanDerWaalsContact SG-CE1 3.59Å; C619-H632 PolarHBondContact SG-NE2 3.46Å; F623-H632 HydrophobicContact CE1-CB 3.72Å; F623-H632 HydrophobicContact CE2-CB 3.7Å; F623-H632 AromaticContact CE2-CD2 3.19Å; F623-H632 WeakPolarHBondContact CE2-CD2 3.46Å; F623-H632 AromaticContact CE2-CG 3.41Å; F623-H632 VanDerWaalsContact CE2-CG 3.41Å; F623-H632 AromaticContact CE2-NE2 3.88Å; F623-H632 HydrophobicContact CZ-CB 3.25Å; F623-H632 AromaticContact CZ-CD2 3.39Å; F623-H632 WeakPolarHBondContact CZ-CD2 3.23Å; F623-H632 AromaticContact CZ-CG 3.07Å; F623-H632 AromaticContact CZ-ND1 3.59Å; F623-H632 AromaticContact CZ-NE2 3.99Å; S628-H632 WeakPolarHBondContact O-CB 3.28Å; S628-H632 PolarHBondContact O-N 2.93Å; S628-H632 VanDerWaalsContact O-N 3.09Å; L629-H632 CarbonylContact O-C 3.58Å; L629-H632 WeakPolarHBondContact O-CA 3.43Å; L629-H632 WeakPolarHBondContact O-CB 3.34Å; L629-H632 PolarHBondContact O-N 3.44Å; Y630-H632 PolarHBondContact O-N 2.9Å; H632-R634 PolarHBondContact O-N 3.41Å; H632-L635 VanDerWaalsContact O-CB 3.23Å; H632-L635 WeakPolarHBondContact O-CB 3.34Å; H632-L635 PolarHBondContact O-N 3.37Å; H632-H636 AromaticContact CE1-CD2 3.92Å; H632-H636 AromaticContact CE1-NE2 3.47Å; H632-H636 PolarHBondContact CE1-NE2 3.08Å; H632-H636 AromaticContact NE2-CD2 3.69Å; H632-H636 AromaticContact NE2-NE2 3.34Å; H632-H636 PolarHBondContact NE2-NE2 3.01Å
633	I	87.1	Confident	84.3	Confident	39 Å²	39	72.5 Å²	72.5	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-56.2	-35	176.7	-71.7	169.6	0	0	0	110.8	Y618 L629 Y630 L635 H636 T637	Y618-I633 HydrophobicContact CE2-CG2 4.19Å; L629-I633 HydrophobicContact CD1-CD1 3.88Å; L629-I633 HydrophobicContact CD1-CG1 3.87Å; L629-I633 HydrophobicContact CD2-CD1 4.12Å; L629-I633 HydrophobicContact CG-CD1 3.73Å; L629-I633 HydrophobicContact CG-CG1 4.17Å; L629-I633 WeakPolarHBondContact O-CG1 3.32Å; L629-I633 PolarHBondContact O-N 3.12Å; Y630-I633 PolarHBondContact O-N 3.46Å; I633-L635 PolarHBondContact O-N 3.26Å; I633-L635 VanDerWaalsContact O-N 3.12Å; I633-H636 WeakPolarHBondContact O-CA 3.33Å; I633-H636 WeakPolarHBondContact O-CB 3.45Å; I633-H636 PolarHBondContact O-N 3.41Å; I633-T637 HydrophobicContact CG2-CG2 3.96Å; I633-T637 PolarHBondContact O-N 2.91Å
634	R	89.6	Confident	85.2	Confident	21 Å²	21	70.6 Å²	70.6	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-21.5	173.9	-70.3	177.7	-177.4	-177.3	-6.7	114.8	Y630 H632 H636 T637 G638 E639 T652	Y630-R634 PolarHBondContact O-N 3.25Å; H632-R634 PolarHBondContact O-N 3.41Å; R634-H636 VanDerWaalsContact C-N 3.32Å; R634-T637 WeakPolarHBondContact CA-OG1 3.46Å; R634-G638 CarbonylContact O-C 3.58Å; R634-G638 WeakPolarHBondContact O-CA 3.49Å; R634-G638 PolarHBondContact O-N 2.83Å; R634-G638 VanDerWaalsContact O-N 3.11Å; R634-E639 WeakPolarHBondContact CB-O 3.38Å; R634-E639 HydrophobicContact CG-CB 4.28Å; R634-E639 PolarHBondContact O-N 2.93Å; R634-T652 HydrophobicContact CB-CG2 3.98Å; R634-T652 WeakPolarHBondContact CD-O 3.38Å; R634-T652 PolarHBondContact NH1-O 3.33Å
635	L	87.3	Confident	86.1	Confident	111 Å²	111	75.2 Å²	75.2	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-74	-26.9	172.6	-60.9	168.3	0	0	0	111.9	H632 I633 T652	H632-L635 VanDerWaalsContact O-CB 3.23Å; H632-L635 WeakPolarHBondContact O-CB 3.34Å; H632-L635 PolarHBondContact O-N 3.37Å; I633-L635 PolarHBondContact O-N 3.26Å; I633-L635 VanDerWaalsContact O-N 3.12Å; L635-T652 HydrophobicContact CD2-CG2 3.82Å; L635-T652 HydrophobicContact CG-CG2 4.47Å
636	H	87.8	Confident	86.6	Confident	78 Å²	78	76 Å²	76	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-86.1	-41.8	175.1	-68.6	-77.2	0	0	0	112.2	C616 Y618 C619 H632 I633 R634 G638	C616-H636 PolarHBondContact SG-CD2 3.13Å; C616-H636 PolarHBondContact SG-NE2 2.66Å; Y618-H636 VanDerWaalsContact CB-CG 3.44Å; Y618-H636 WeakPolarHBondContact CB-ND1 3.48Å; Y618-H636 HydrophobicContact CD2-CB 3.48Å; Y618-H636 VanDerWaalsContact CD2-CB 3.48Å; Y618-H636 AromaticContact CD2-CG 3.81Å; Y618-H636 HydrophobicContact CE2-CB 4.14Å; Y618-H636 HydrophobicContact CG-CB 3.84Å; Y618-H636 AromaticContact CG-CG 3.91Å; C619-H636 PolarHBondContact SG-NE2 3.37Å; H632-H636 AromaticContact CE1-CD2 3.92Å; H632-H636 AromaticContact CE1-NE2 3.47Å; H632-H636 PolarHBondContact CE1-NE2 3.08Å; H632-H636 AromaticContact NE2-CD2 3.69Å; H632-H636 AromaticContact NE2-NE2 3.34Å; H632-H636 PolarHBondContact NE2-NE2 3.01Å; I633-H636 WeakPolarHBondContact O-CA 3.33Å; I633-H636 WeakPolarHBondContact O-CB 3.45Å; I633-H636 PolarHBondContact O-N 3.41Å; R634-H636 VanDerWaalsContact C-N 3.32Å; H636-G638 PolarHBondContact O-N 3.2Å
637	T	87.9	Confident	87.2	Confident	60 Å²	60	74.2 Å²	74.2	37%	0.368	37%	0.373	S	S	.	.	H	α-helix	trans	-76.3	-11.9	178.5	63.8	0	0	0	0	113.1	Y618 I633 R634 E639	Y618-T637 HydrophobicContact CE2-CG2 4.36Å; I633-T637 HydrophobicContact CG2-CG2 3.96Å; I633-T637 PolarHBondContact O-N 2.91Å; R634-T637 WeakPolarHBondContact CA-OG1 3.46Å; T637-E639 PolarHBondContact O-N 3.3Å; T637-E639 WeakPolarHBondContact OG1-CG 3.4Å; T637-E639 PolarHBondContact OG1-N 3.31Å
638	G	84	Confident	87.5	Confident	50 Å²	50	78.9 Å²	78.9	52%	0.515	39%	0.392	S	S	.	.			trans	73.7	-2.6	-175.4	0	0	0	0	0	114.3	R634 H636 R640	R634-G638 CarbonylContact O-C 3.58Å; R634-G638 WeakPolarHBondContact O-CA 3.49Å; R634-G638 PolarHBondContact O-N 2.83Å; R634-G638 VanDerWaalsContact O-N 3.11Å; H636-G638 PolarHBondContact O-N 3.2Å; G638-R640 PolarHBondContact O-N 3.18Å
639	E	86.5	Confident	87.9	Confident	99 Å²	99	82.7 Å²	82.7	46%	0.463	40%	0.403	S	S	.	.			trans	-63.4	122.7	-178.1	-73.3	177.3	-161.9	0	0	112	R634 T637 P641	R634-E639 WeakPolarHBondContact CB-O 3.38Å; R634-E639 HydrophobicContact CG-CB 4.28Å; R634-E639 PolarHBondContact O-N 2.93Å; T637-E639 PolarHBondContact O-N 3.3Å; T637-E639 WeakPolarHBondContact OG1-CG 3.4Å; T637-E639 PolarHBondContact OG1-N 3.31Å; E639-P641 WeakPolarHBondContact O-CD 3.48Å
640	R	90.6	Very high	88.2	Confident	141 Å²	141	82.7 Å²	82.7	53%	0.532	41%	0.406	S	S	.	.			trans	-124.1	78.3	177.6	-73.6	167.3	167.7	-125.3	10.7	110.2	G638 Y642 A650 F651 T652	G638-R640 PolarHBondContact O-N 3.18Å; R640-Y642 VanDerWaalsContact C-N 3.27Å; R640-Y642 PolarHBondContact O-N 3.34Å; R640-A650 HydrophobicContact CB-CB 3.63Å; R640-A650 VanDerWaalsContact CD-O 3.27Å; R640-A650 WeakPolarHBondContact CD-O 3.28Å; R640-A650 PolarHBondContact NH1-O 3.48Å; R640-A650 VanDerWaalsContact O-CB 3.32Å; R640-A650 WeakPolarHBondContact O-CB 3.02Å; R640-F651 CarbonylContact C-O 3.18Å; R640-F651 WeakPolarHBondContact CA-O 3.22Å; R640-T652 HydrophobicContact CG-CG2 3.99Å
641	P	87.2	Confident	88.5	Confident	69 Å²	69	78.5 Å²	78.5	45%	0.448	39%	0.39	S	S	.	.			trans	-69.5	-22.4	-173.3	-22.4	35.6	0	0	0	114.1	E639 K643	E639-P641 WeakPolarHBondContact O-CD 3.48Å; P641-K643 PolarHBondContact O-N 3.1Å
642	Y	90.3	Very high	88.6	Confident	76 Å²	76	76.9 Å²	76.9	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	88.4	-173	-55.8	-73.5	0	0	0	110.5	R640 A650 F651 T652 S653 Q654	R640-Y642 VanDerWaalsContact C-N 3.27Å; R640-Y642 PolarHBondContact O-N 3.34Å; Y642-A650 CarbonylContact O-C 3.38Å; Y642-A650 WeakPolarHBondContact O-CA 3.37Å; Y642-F651 WeakPolarHBondContact CD2-O 3.42Å; Y642-F651 PolarHBondContact N-O 2.84Å; Y642-F651 VanDerWaalsContact N-O 3.16Å; Y642-F651 PolarHBondContact O-N 2.99Å; Y642-T652 WeakPolarHBondContact CE2-O 3.23Å; Y642-S653 VanDerWaalsContact CD2-CA 3.46Å; Y642-S653 VanDerWaalsContact CE2-CA 3.49Å; Y642-Q654 HydrophobicContact CD1-CB 4.01Å; Y642-Q654 HydrophobicContact CD1-CG 4.44Å; Y642-Q654 VanDerWaalsContact CD2-N 3.27Å; Y642-Q654 HydrophobicContact CE1-CB 3.85Å; Y642-Q654 HydrophobicContact CE1-CG 4.46Å; Y642-Q654 HydrophobicContact CE2-CB 4.37Å; Y642-Q654 VanDerWaalsContact CE2-N 3.28Å; Y642-Q654 HydrophobicContact CG-CB 4.36Å
643	K	87.6	Confident	88.8	Confident	157 Å²	157	77.1 Å²	77.1	68%	0.683	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.4	175.3	-59.4	-175	179.3	-175.6	0	111.1	P641 A650 R657	P641-K643 PolarHBondContact O-N 3.1Å; K643-A650 HydrophobicContact CG-CB 3.96Å; K643-R657 WeakPolarHBondContact O-CD 3.43Å
644	C	91.5	Very high	88.9	Confident	10 Å²	10	80.4 Å²	80.4	7%	0.068	40%	0.398	C	S	.	.			trans	-66.4	144.6	169.2	-173.2	0	0	0	0	109.4	Y646 C647 K649 F651 H660	C644-Y646 VanDerWaalsContact C-N 3.33Å; C644-C647 WeakPolarHBondContact CB-O 3.48Å; C644-C647 VanDerWaalsContact O-O 3.06Å; C644-K649 WeakPolarHBondContact CB-O 3.08Å; C644-K649 PolarHBondContact N-O 2.94Å; C644-F651 HydrophobicContact CB-CE2 4.47Å; C644-H660 VanDerWaalsContact SG-CD2 3.57Å
645	Q	88.3	Confident	88.7	Confident	150 Å²	150	81.2 Å²	81.2	70%	0.701	41%	0.414	S	S	*	.	S	Bend	trans	-79.7	-18.6	178.5	-65.8	-178.5	-0.9	0	0	113.1
646	Y	87.8	Confident	88.8	Confident	143 Å²	143	80 Å²	80	56%	0.561	41%	0.408	S	S	*	.	S	Bend	trans	-111	-6	-173.4	-53.8	-71.3	0	0	0	113.6	C644 H664	C644-Y646 VanDerWaalsContact C-N 3.33Å; Y646-H664 VanDerWaalsContact CB-CG 3.48Å; Y646-H664 HydrophobicContact CD2-CB 3.82Å; Y646-H664 HydrophobicContact CG-CB 4.03Å
647	C	90.9	Very high	89	Confident	32 Å²	32	78 Å²	78	22%	0.216	40%	0.397	C	S	.	.	S	Bend	trans	-156.3	168.8	172.3	70.6	0	0	0	0	111.3	C644 K649 H660 H664	C644-C647 WeakPolarHBondContact CB-O 3.48Å; C644-C647 VanDerWaalsContact O-O 3.06Å; C647-K649 PolarHBondContact O-N 3.18Å; C647-H660 PolarHBondContact SG-NE2 3.5Å; C647-H664 PolarHBondContact SG-NE2 3.32Å
648	D	87.6	Confident	89.1	Confident	169 Å²	169	79 Å²	79	90%	0.904	40%	0.4	S	S	*	.	S	Bend	trans	-75.8	4.2	-176.1	-55.1	-51.8	0	0	0	114.5	A650	D648-A650 PolarHBondContact O-N 3.32Å
649	K	91.2	Very high	89.3	Confident	127 Å²	127	78.7 Å²	78.7	55%	0.552	39%	0.388	S	S	*	.			trans	-72	128	179.8	-65	177.3	-168.9	-73.5	0	110.4	C644 C647 F651	C644-K649 WeakPolarHBondContact CB-O 3.08Å; C644-K649 PolarHBondContact N-O 2.94Å; C647-K649 PolarHBondContact O-N 3.18Å; K649-F651 HydrophobicContact CB-CE2 3.96Å; K649-F651 HydrophobicContact CB-CZ 4.01Å
650	A	90.3	Very high	89.4	Confident	19 Å²	19	75.1 Å²	75.1	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.1	175.7	0	0	0	0	0	112	R640 Y642 K643 D648	R640-A650 HydrophobicContact CB-CB 3.63Å; R640-A650 VanDerWaalsContact CD-O 3.27Å; R640-A650 WeakPolarHBondContact CD-O 3.28Å; R640-A650 PolarHBondContact NH1-O 3.48Å; R640-A650 VanDerWaalsContact O-CB 3.32Å; R640-A650 WeakPolarHBondContact O-CB 3.02Å; Y642-A650 CarbonylContact O-C 3.38Å; Y642-A650 WeakPolarHBondContact O-CA 3.37Å; K643-A650 HydrophobicContact CG-CB 3.96Å; D648-A650 PolarHBondContact O-N 3.32Å
651	F	91.4	Very high	89.4	Confident	35 Å²	35	69.5 Å²	69.5	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.5	-173.4	-59.1	-90.2	0	0	0	112.4	R640 Y642 C644 K649 N656 R657 H660	R640-F651 CarbonylContact C-O 3.18Å; R640-F651 WeakPolarHBondContact CA-O 3.22Å; Y642-F651 WeakPolarHBondContact CD2-O 3.42Å; Y642-F651 PolarHBondContact N-O 2.84Å; Y642-F651 VanDerWaalsContact N-O 3.16Å; Y642-F651 PolarHBondContact O-N 2.99Å; C644-F651 HydrophobicContact CB-CE2 4.47Å; K649-F651 HydrophobicContact CB-CE2 3.96Å; K649-F651 HydrophobicContact CB-CZ 4.01Å; F651-N656 HydrophobicContact CB-CB 4.14Å; F651-N656 HydrophobicContact CD1-CB 3.98Å; F651-N656 HydrophobicContact CG-CB 4.31Å; F651-R657 HydrophobicContact CB-CB 4.22Å; F651-R657 HydrophobicContact CD2-CB 3.77Å; F651-R657 HydrophobicContact CD2-CG 4.02Å; F651-R657 HydrophobicContact CG-CB 4.19Å; F651-H660 HydrophobicContact CE1-CB 3.83Å; F651-H660 HydrophobicContact CE2-CB 3.76Å; F651-H660 AromaticContact CE2-CD2 3.3Å; F651-H660 WeakPolarHBondContact CE2-CD2 3.4Å; F651-H660 AromaticContact CE2-CG 3.55Å; F651-H660 HydrophobicContact CZ-CB 3.32Å; F651-H660 AromaticContact CZ-CD2 3.35Å; F651-H660 WeakPolarHBondContact CZ-CD2 3.43Å; F651-H660 AromaticContact CZ-CG 3.11Å; F651-H660 AromaticContact CZ-ND1 3.71Å
652	T	89.9	Confident	89.5	Confident	12 Å²	12	69.1 Å²	69.1	7%	0.074	34%	0.34	C	S	.	.	S	Bend	trans	-74.8	-23.1	178.2	55.7	0	0	0	0	113.6	R634 L635 R640 Y642	R634-T652 HydrophobicContact CB-CG2 3.98Å; R634-T652 WeakPolarHBondContact CD-O 3.38Å; R634-T652 PolarHBondContact NH1-O 3.33Å; L635-T652 HydrophobicContact CD2-CG2 3.82Å; L635-T652 HydrophobicContact CG-CG2 4.47Å; R640-T652 HydrophobicContact CG-CG2 3.99Å; Y642-T652 WeakPolarHBondContact CE2-O 3.23Å
653	S	89.6	Confident	89.4	Confident	21 Å²	21	70.7 Å²	70.7	15%	0.147	36%	0.358	C	S	.	.	S	Bend	trans	-133.1	147.7	179.4	80.4	0	0	0	0	112.4	Y642 G655 N656 R657	Y642-S653 VanDerWaalsContact CD2-CA 3.46Å; Y642-S653 VanDerWaalsContact CE2-CA 3.49Å; S653-G655 VanDerWaalsContact C-N 3.27Å; S653-G655 PolarHBondContact O-N 3.03Å; S653-N656 PolarHBondContact O-N 3.49Å; S653-N656 WeakPolarHBondContact OG-CB 3.31Å; S653-N656 PolarHBondContact OG-N 3.31Å; S653-N656 PolarHBondContact OG-ND2 3.17Å; S653-N656 PolarHBondContact OG-OD1 3.48Å; S653-R657 PolarHBondContact O-N 2.95Å
654	Q	88.4	Confident	89.5	Confident	108 Å²	108	67 Å²	67	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-36	178	-172.3	-179.7	13	0	0	111.9	Y642 R657 L658	Y642-Q654 HydrophobicContact CD1-CB 4.01Å; Y642-Q654 HydrophobicContact CD1-CG 4.44Å; Y642-Q654 VanDerWaalsContact CD2-N 3.27Å; Y642-Q654 HydrophobicContact CE1-CB 3.85Å; Y642-Q654 HydrophobicContact CE1-CG 4.46Å; Y642-Q654 HydrophobicContact CE2-CB 4.37Å; Y642-Q654 VanDerWaalsContact CE2-N 3.28Å; Y642-Q654 HydrophobicContact CG-CB 4.36Å; Q654-R657 PolarHBondContact O-N 3.2Å; Q654-L658 HydrophobicContact CG-CD1 4.31Å; Q654-L658 WeakPolarHBondContact O-CG 3.31Å; Q654-L658 PolarHBondContact O-N 3.46Å
655	G	86.8	Confident	89.3	Confident	39 Å²	39	69.7 Å²	69.7	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-41.3	177.3	0	0	0	0	0	112.5	S653 L658 V659	S653-G655 VanDerWaalsContact C-N 3.27Å; S653-G655 PolarHBondContact O-N 3.03Å; G655-L658 PolarHBondContact O-N 2.86Å; G655-V659 WeakPolarHBondContact O-CG2 3.04Å; G655-V659 PolarHBondContact O-N 3.29Å
656	N	88.9	Confident	89.1	Confident	86 Å²	86	64.9 Å²	64.9	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-38.9	177.2	-68.3	-10.9	0	0	0	111.6	F651 S653 V659 H660	F651-N656 HydrophobicContact CB-CB 4.14Å; F651-N656 HydrophobicContact CD1-CB 3.98Å; F651-N656 HydrophobicContact CG-CB 4.31Å; S653-N656 PolarHBondContact O-N 3.49Å; S653-N656 WeakPolarHBondContact OG-CB 3.31Å; S653-N656 PolarHBondContact OG-N 3.31Å; S653-N656 PolarHBondContact OG-ND2 3.17Å; S653-N656 PolarHBondContact OG-OD1 3.48Å; N656-V659 PolarHBondContact O-N 2.94Å; N656-H660 WeakPolarHBondContact O-CB 3.3Å; N656-H660 PolarHBondContact O-N 3.41Å
657	R	92.3	Very high	89	Confident	34 Å²	34	63.6 Å²	63.6	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-50.1	172.5	-174.6	-159.4	61.7	116.6	3.9	111.5	K643 F651 S653 Q654 V659 H660 E661	K643-R657 WeakPolarHBondContact O-CD 3.43Å; F651-R657 HydrophobicContact CB-CB 4.22Å; F651-R657 HydrophobicContact CD2-CB 3.77Å; F651-R657 HydrophobicContact CD2-CG 4.02Å; F651-R657 HydrophobicContact CG-CB 4.19Å; S653-R657 PolarHBondContact O-N 2.95Å; Q654-R657 PolarHBondContact O-N 3.2Å; R657-V659 VanDerWaalsContact C-N 3.29Å; R657-V659 PolarHBondContact O-N 3.24Å; R657-H660 CarbonylContact O-C 3.51Å; R657-H660 WeakPolarHBondContact O-CA 3.47Å; R657-H660 WeakPolarHBondContact O-CB 3.34Å; R657-H660 PolarHBondContact O-N 2.87Å; R657-E661 IonicContact CZ-OE1 3.67Å; R657-E661 VanDerWaalsContact CZ-OE1 3.27Å; R657-E661 IonicContact CZ-OE2 3.84Å; R657-E661 IonicContact NE-OE1 3.44Å; R657-E661 IonicContact NH1-OE1 3.58Å; R657-E661 PolarHBondContact NH1-OE1 3.13Å; R657-E661 IonicContact NH1-OE2 3.27Å; R657-E661 PolarHBondContact NH1-OE2 3.39Å; R657-E661 IonicContact NH2-OE2 3.75Å; R657-E661 WeakPolarHBondContact O-CG 3.45Å; R657-E661 PolarHBondContact O-N 3.48Å
658	L	89.7	Confident	88.8	Confident	83 Å²	83	67.8 Å²	67.8	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-36.3	179.7	-74	170.4	0	0	0	112.8	Q654 G655	Q654-L658 HydrophobicContact CG-CD1 4.31Å; Q654-L658 WeakPolarHBondContact O-CG 3.31Å; Q654-L658 PolarHBondContact O-N 3.46Å; G655-L658 PolarHBondContact O-N 2.86Å
659	V	88.8	Confident	88.8	Confident	42 Å²	42	63.2 Å²	63.2	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-70.2	-35.5	174.8	171.1	0	0	0	0	111.3	G655 N656 R657 R662 Q681	G655-V659 WeakPolarHBondContact O-CG2 3.04Å; G655-V659 PolarHBondContact O-N 3.29Å; N656-V659 PolarHBondContact O-N 2.94Å; R657-V659 VanDerWaalsContact C-N 3.29Å; R657-V659 PolarHBondContact O-N 3.24Å; V659-R662 WeakPolarHBondContact O-CB 3.42Å; V659-Q681 HydrophobicContact CG1-CG 3.65Å; V659-Q681 VanDerWaalsContact CG1-NE2 3.34Å
660	H	89.1	Confident	88.7	Confident	25 Å²	25	59.7 Å²	59.7	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-38.4	175.4	167	68.2	0	0	0	113	C644 C647 F651 N656 R657 R662 V663 H664	C644-H660 VanDerWaalsContact SG-CD2 3.57Å; C647-H660 PolarHBondContact SG-NE2 3.5Å; F651-H660 HydrophobicContact CE1-CB 3.83Å; F651-H660 HydrophobicContact CE2-CB 3.76Å; F651-H660 AromaticContact CE2-CD2 3.3Å; F651-H660 WeakPolarHBondContact CE2-CD2 3.4Å; F651-H660 AromaticContact CE2-CG 3.55Å; F651-H660 HydrophobicContact CZ-CB 3.32Å; F651-H660 AromaticContact CZ-CD2 3.35Å; F651-H660 WeakPolarHBondContact CZ-CD2 3.43Å; F651-H660 AromaticContact CZ-CG 3.11Å; F651-H660 AromaticContact CZ-ND1 3.71Å; N656-H660 WeakPolarHBondContact O-CB 3.3Å; N656-H660 PolarHBondContact O-N 3.41Å; R657-H660 CarbonylContact O-C 3.51Å; R657-H660 WeakPolarHBondContact O-CA 3.47Å; R657-H660 WeakPolarHBondContact O-CB 3.34Å; R657-H660 PolarHBondContact O-N 2.87Å; H660-R662 PolarHBondContact O-N 2.69Å; H660-V663 VanDerWaalsContact O-CB 3.27Å; H660-V663 WeakPolarHBondContact O-CB 3.2Å; H660-V663 WeakPolarHBondContact O-CG2 3.22Å; H660-V663 PolarHBondContact O-N 3.18Å; H660-H664 AromaticContact CE1-NE2 3.94Å; H660-H664 AromaticContact NE2-CD2 3.94Å; H660-H664 AromaticContact NE2-NE2 3.49Å; H660-H664 PolarHBondContact NE2-NE2 2.81Å
661	E	89.5	Confident	88.5	Confident	23 Å²	23	63.3 Å²	63.3	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-57	-22.9	178.6	-78.3	171.3	171.7	0	0	112.8	R657 V663 H664 T665	R657-E661 IonicContact CZ-OE1 3.67Å; R657-E661 VanDerWaalsContact CZ-OE1 3.27Å; R657-E661 IonicContact CZ-OE2 3.84Å; R657-E661 IonicContact NE-OE1 3.44Å; R657-E661 IonicContact NH1-OE1 3.58Å; R657-E661 PolarHBondContact NH1-OE1 3.13Å; R657-E661 IonicContact NH1-OE2 3.27Å; R657-E661 PolarHBondContact NH1-OE2 3.39Å; R657-E661 IonicContact NH2-OE2 3.75Å; R657-E661 WeakPolarHBondContact O-CG 3.45Å; R657-E661 PolarHBondContact O-N 3.48Å; E661-V663 PolarHBondContact O-N 3.04Å; E661-H664 WeakPolarHBondContact O-CB 3.5Å; E661-H664 PolarHBondContact O-N 2.75Å; E661-T665 PolarHBondContact O-N 3.43Å
662	R	90	Very high	88.4	Confident	60 Å²	60	61.8 Å²	61.8	23%	0.226	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-20.9	171.6	-61.1	-179.1	-173.7	168.7	1.7	114.6	V659 H660 H664 T665 G666 E667 A680	V659-R662 WeakPolarHBondContact O-CB 3.42Å; H660-R662 PolarHBondContact O-N 2.69Å; R662-H664 VanDerWaalsContact C-N 3.28Å; R662-T665 WeakPolarHBondContact CA-OG1 2.99Å; R662-G666 WeakPolarHBondContact O-CA 3.37Å; R662-G666 PolarHBondContact O-N 3.37Å; R662-E667 HydrophobicContact CG-CB 4.48Å; R662-A680 HydrophobicContact CB-CB 4.46Å; R662-A680 PolarHBondContact NH1-O 3.02Å
663	V	88.2	Confident	88.3	Confident	109 Å²	109	66.6 Å²	66.6	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-68.7	-33.4	172.9	-179.6	0	0	0	0	110.3	H660 E661	H660-V663 VanDerWaalsContact O-CB 3.27Å; H660-V663 WeakPolarHBondContact O-CB 3.2Å; H660-V663 WeakPolarHBondContact O-CG2 3.22Å; H660-V663 PolarHBondContact O-N 3.18Å; E661-V663 PolarHBondContact O-N 3.04Å
664	H	88.9	Confident	87.9	Confident	79 Å²	79	69 Å²	69	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-83.5	-42.4	177	-63.6	-74.3	0	0	0	112.2	Y646 C647 H660 E661 R662 G666	Y646-H664 VanDerWaalsContact CB-CG 3.48Å; Y646-H664 HydrophobicContact CD2-CB 3.82Å; Y646-H664 HydrophobicContact CG-CB 4.03Å; C647-H664 PolarHBondContact SG-NE2 3.32Å; H660-H664 AromaticContact CE1-NE2 3.94Å; H660-H664 AromaticContact NE2-CD2 3.94Å; H660-H664 AromaticContact NE2-NE2 3.49Å; H660-H664 PolarHBondContact NE2-NE2 2.81Å; E661-H664 WeakPolarHBondContact O-CB 3.5Å; E661-H664 PolarHBondContact O-N 2.75Å; R662-H664 VanDerWaalsContact C-N 3.28Å; H664-G666 VanDerWaalsContact C-N 3.29Å; H664-G666 PolarHBondContact O-N 3.24Å
665	T	86.8	Confident	87.8	Confident	68 Å²	68	66.4 Å²	66.4	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-78	-15.5	-179.5	66.2	0	0	0	0	113.3	E661 R662 E667	E661-T665 PolarHBondContact O-N 3.43Å; R662-T665 WeakPolarHBondContact CA-OG1 2.99Å; T665-E667 PolarHBondContact O-N 3.36Å; T665-E667 WeakPolarHBondContact OG1-CG 3.26Å; T665-E667 PolarHBondContact OG1-N 3.04Å
666	G	84.1	Confident	87.8	Confident	49 Å²	49	66.8 Å²	66.8	51%	0.505	38%	0.384	S	S	.	.			trans	70.4	4.1	-174.8	0	0	0	0	0	114.3	R662 H664 K668	R662-G666 WeakPolarHBondContact O-CA 3.37Å; R662-G666 PolarHBondContact O-N 3.37Å; H664-G666 VanDerWaalsContact C-N 3.29Å; H664-G666 PolarHBondContact O-N 3.24Å; G666-K668 PolarHBondContact O-N 2.84Å
667	E	85.9	Confident	87.7	Confident	116 Å²	116	68 Å²	68	54%	0.542	39%	0.385	S	S	.	.			trans	-64.9	125.6	-176.6	-73.7	-177.1	177.7	0	0	112.2	R662 T665 P669	R662-E667 HydrophobicContact CG-CB 4.48Å; T665-E667 PolarHBondContact O-N 3.36Å; T665-E667 WeakPolarHBondContact OG1-CG 3.26Å; T665-E667 PolarHBondContact OG1-N 3.04Å; E667-P669 WeakPolarHBondContact O-CD 3.48Å
668	K	88.4	Confident	87.6	Confident	120 Å²	120	69.3 Å²	69.3	52%	0.522	40%	0.398	S	S	.	.			trans	-122.9	75.8	178	-67.3	177.3	-179.1	178.6	0	111.9	G666 F670 P678 Y679 A680	G666-K668 PolarHBondContact O-N 2.84Å; K668-F670 PolarHBondContact O-N 2.82Å; K668-P678 HydrophobicContact CB-CB 3.74Å; K668-P678 HydrophobicContact CB-CG 4.44Å; K668-P678 HydrophobicContact CD-CB 4.33Å; K668-P678 HydrophobicContact CD-CG 4.2Å; K668-Y679 CarbonylContact C-O 3.51Å; K668-Y679 WeakPolarHBondContact CA-O 3.38Å; K668-A680 HydrophobicContact CG-CB 4.26Å
669	P	85.9	Confident	87.6	Confident	73 Å²	73	68 Å²	68	47%	0.474	39%	0.387	S	S	.	.			trans	-69.2	-16.1	-170.2	-20.2	33.2	0	0	0	115.1	E667	E667-P669 WeakPolarHBondContact O-CD 3.48Å
670	F	89.1	Confident	87.5	Confident	53 Å²	53	67.4 Å²	67.4	23%	0.232	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	103.2	-172.7	-56.9	-70.8	0	0	0	110.7	K668 P678 Y679 Q681 R682 L685	K668-F670 PolarHBondContact O-N 2.82Å; F670-P678 CarbonylContact O-C 3.49Å; F670-Y679 WeakPolarHBondContact CB-O 3.43Å; F670-Y679 PolarHBondContact N-O 3.42Å; F670-Y679 VanDerWaalsContact N-O 3.11Å; F670-Y679 PolarHBondContact O-N 2.81Å; F670-Q681 VanDerWaalsContact CD2-C 3.48Å; F670-R682 HydrophobicContact CE1-CB 4.44Å; F670-R682 HydrophobicContact CE2-CB 4.37Å; F670-R682 HydrophobicContact CZ-CB 4.31Å; F670-L685 HydrophobicContact CB-CB 4.19Å; F670-L685 HydrophobicContact CB-CD2 3.84Å
671	V	87.6	Confident	87.5	Confident	95 Å²	95	70.7 Å²	70.7	58%	0.576	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	140	178.4	-67.3	0	0	0	0	111.9	P678	V671-P678 HydrophobicContact CG1-CB 4.1Å
672	C	88.6	Confident	87.4	Confident	3 Å²	3	77.5 Å²	77.5	2%	0.02	43%	0.427	C	S	.	.			trans	-73.3	125.4	171.4	-175.4	0	0	0	0	110.6	L674 G676 K677 Y679 L685 H688	C672-L674 PolarHBondContact O-N 2.77Å; C672-L674 PolarHBondContact SG-N 3.34Å; C672-G676 WeakPolarHBondContact O-CA 3.27Å; C672-G676 PolarHBondContact O-N 3.37Å; C672-K677 PolarHBondContact N-O 3.43Å; C672-Y679 HydrophobicContact CB-CE2 4.39Å; C672-L685 VanDerWaalsContact CA-CD1 3.43Å; C672-L685 HydrophobicContact CB-CD1 3.66Å; C672-H688 PolarHBondContact SG-CD2 3.11Å; C672-H688 PolarHBondContact SG-NE2 3.39Å; C672-H688 VanDerWaalsContact SG-NE2 3.36Å
673	S	86.7	Confident	87.2	Confident	113 Å²	113	78.3 Å²	78.3	79%	0.79	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.4	177.1	56.6	0	0	0	0	113.5
674	L	82.8	Confident	87.2	Confident	71 Å²	71	74.4 Å²	74.4	37%	0.372	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-32.6	-175.2	-61.4	174.7	0	0	0	113.2	C672 K693 F696	C672-L674 PolarHBondContact O-N 2.77Å; C672-L674 PolarHBondContact SG-N 3.34Å; L674-K693 HydrophobicContact CD1-CG 3.57Å; L674-F696 HydrophobicContact CB-CD2 4.34Å; L674-F696 HydrophobicContact CB-CE2 3.93Å; L674-F696 WeakPolarHBondContact O-CE2 2.99Å; L674-F696 WeakPolarHBondContact O-CZ 3.28Å
675	C	85.2	Confident	87.3	Confident	53 Å²	53	72.1 Å²	72.1	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	3.9	-179.7	74.2	0	0	0	0	114.6	K677 H688	C675-K677 PolarHBondContact O-N 3.11Å; C675-K677 VanDerWaalsContact SG-CG 3.53Å; C675-H688 PolarHBondContact SG-CE1 3.1Å; C675-H688 PolarHBondContact SG-NE2 2.75Å
676	G	86.6	Confident	87.2	Confident	48 Å²	48	75.2 Å²	75.2	50%	0.495	42%	0.415	S	S	.	.			trans	73.6	-9.6	-180	0	0	0	0	0	115.9	C672 P678	C672-G676 WeakPolarHBondContact O-CA 3.27Å; C672-G676 PolarHBondContact O-N 3.37Å; G676-P678 WeakPolarHBondContact O-CD 3.31Å
677	K	87.8	Confident	87.4	Confident	111 Å²	111	76.9 Å²	76.9	48%	0.483	41%	0.411	S	S	.	.			trans	-60	127.1	-175.4	-71.4	179.5	-177.5	-177.8	0	111.8	C672 C675 Y679	C672-K677 PolarHBondContact N-O 3.43Å; C675-K677 PolarHBondContact O-N 3.11Å; C675-K677 VanDerWaalsContact SG-CG 3.53Å; K677-Y679 HydrophobicContact CB-CE2 3.81Å; K677-Y679 VanDerWaalsContact O-CD2 3.26Å; K677-Y679 WeakPolarHBondContact O-CD2 3.4Å; K677-Y679 VanDerWaalsContact O-CE2 3.23Å; K677-Y679 WeakPolarHBondContact O-CE2 3.46Å
678	P	89.6	Confident	87.5	Confident	62 Å²	62	72.3 Å²	72.3	40%	0.403	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.5	179.8	34.1	-35.7	0	0	0	112	K668 F670 V671 G676	K668-P678 HydrophobicContact CB-CB 3.74Å; K668-P678 HydrophobicContact CB-CG 4.44Å; K668-P678 HydrophobicContact CD-CB 4.33Å; K668-P678 HydrophobicContact CD-CG 4.2Å; F670-P678 CarbonylContact O-C 3.49Å; V671-P678 HydrophobicContact CG1-CB 4.1Å; G676-P678 WeakPolarHBondContact O-CD 3.31Å
679	Y	89	Confident	87.4	Confident	55 Å²	55	68 Å²	68	22%	0.216	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.1	179.6	-66.2	-88.3	0	0	0	111.6	K668 F670 C672 K677 Q681 L685 H688	K668-Y679 CarbonylContact C-O 3.51Å; K668-Y679 WeakPolarHBondContact CA-O 3.38Å; F670-Y679 WeakPolarHBondContact CB-O 3.43Å; F670-Y679 PolarHBondContact N-O 3.42Å; F670-Y679 VanDerWaalsContact N-O 3.11Å; F670-Y679 PolarHBondContact O-N 2.81Å; C672-Y679 HydrophobicContact CB-CE2 4.39Å; K677-Y679 HydrophobicContact CB-CE2 3.81Å; K677-Y679 VanDerWaalsContact O-CD2 3.26Å; K677-Y679 WeakPolarHBondContact O-CD2 3.4Å; K677-Y679 VanDerWaalsContact O-CE2 3.23Å; K677-Y679 WeakPolarHBondContact O-CE2 3.46Å; Y679-Q681 VanDerWaalsContact C-N 3.29Å; Y679-Q681 PolarHBondContact O-N 2.96Å; Y679-L685 HydrophobicContact CD2-CB 4.14Å; Y679-L685 HydrophobicContact CD2-CD1 3.88Å; Y679-L685 HydrophobicContact CE2-CD1 4.33Å; Y679-L685 HydrophobicContact CG-CB 4.26Å; Y679-H688 HydrophobicContact CE1-CB 3.86Å; Y679-H688 HydrophobicContact CE2-CB 3.75Å; Y679-H688 AromaticContact CE2-CD2 3.28Å; Y679-H688 WeakPolarHBondContact CE2-CD2 3.37Å; Y679-H688 AromaticContact CE2-CG 3.48Å; Y679-H688 VanDerWaalsContact CE2-CG 3.48Å; Y679-H688 AromaticContact CZ-CD2 3.56Å; Y679-H688 AromaticContact CZ-CG 3.23Å; Y679-H688 AromaticContact CZ-ND1 3.79Å; Y679-H688 WeakPolarHBondContact OH-CB 3.5Å; Y679-H688 PolarHBondContact OH-CD2 2.99Å; Y679-H688 VanDerWaalsContact OH-CD2 3.32Å; Y679-H688 PolarHBondContact OH-CE1 3.37Å; Y679-H688 PolarHBondContact OH-ND1 3.05Å
680	A	88	Confident	87.4	Confident	30 Å²	30	69.9 Å²	69.9	25%	0.248	38%	0.376	C	S	.	.	S	Bend	trans	-69.3	-26.8	177.7	0	0	0	0	0	113.1	R662 K668	R662-A680 HydrophobicContact CB-CB 4.46Å; R662-A680 PolarHBondContact NH1-O 3.02Å; K668-A680 HydrophobicContact CG-CB 4.26Å
681	Q	88.2	Confident	87.2	Confident	94 Å²	94	72.7 Å²	72.7	44%	0.439	39%	0.39	S	S	.	.	S	Bend	trans	-133	147.2	-175	-58.7	-173.7	17	0	0	112.1	V659 F670 Y679 V683 G684 L685	V659-Q681 HydrophobicContact CG1-CG 3.65Å; V659-Q681 VanDerWaalsContact CG1-NE2 3.34Å; F670-Q681 VanDerWaalsContact CD2-C 3.48Å; Y679-Q681 VanDerWaalsContact C-N 3.29Å; Y679-Q681 PolarHBondContact O-N 2.96Å; Q681-V683 VanDerWaalsContact C-N 3.26Å; Q681-V683 PolarHBondContact O-N 3.17Å; Q681-G684 PolarHBondContact O-N 2.82Å; Q681-L685 PolarHBondContact O-N 3.19Å; Q681-L685 VanDerWaalsContact O-N 3.1Å
682	R	87.2	Confident	86.9	Confident	166 Å²	166	68.6 Å²	68.6	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-31	178.1	-175.3	178.2	-68.3	-148	-1.8	113	F670 L685 R686	F670-R682 HydrophobicContact CE1-CB 4.44Å; F670-R682 HydrophobicContact CE2-CB 4.37Å; F670-R682 HydrophobicContact CZ-CB 4.31Å; R682-L685 PolarHBondContact O-N 3.28Å; R682-R686 PolarHBondContact O-N 3.46Å
683	V	86.8	Confident	86.7	Confident	77 Å²	77	74 Å²	74	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-68.1	-44.8	178.1	-179.8	0	0	0	0	110.5	Q681 L685 R686 I687	Q681-V683 VanDerWaalsContact C-N 3.26Å; Q681-V683 PolarHBondContact O-N 3.17Å; V683-L685 VanDerWaalsContact C-N 3.34Å; V683-L685 PolarHBondContact O-N 3.36Å; V683-R686 WeakPolarHBondContact O-CB 3.31Å; V683-R686 PolarHBondContact O-N 3.43Å; V683-R686 VanDerWaalsContact O-N 3.1Å; V683-I687 HydrophobicContact CG1-CD1 4.06Å; V683-I687 WeakPolarHBondContact O-CG1 3.48Å; V683-I687 PolarHBondContact O-N 3.42Å
684	G	88.6	Confident	86.3	Confident	27 Å²	27	76.5 Å²	76.5	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-42.9	173.7	0	0	0	0	0	112.1	Q681 R686 H688	Q681-G684 PolarHBondContact O-N 2.82Å; G684-R686 VanDerWaalsContact C-N 3.34Å; G684-R686 PolarHBondContact O-N 2.74Å; G684-H688 VanDerWaalsContact O-CB 3.23Å; G684-H688 WeakPolarHBondContact O-CB 3.4Å; G684-H688 PolarHBondContact O-N 2.88Å
685	L	89.7	Confident	86	Confident	30 Å²	30	81 Å²	81	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-42.8	172.2	174.9	61.4	0	0	0	111.7	F670 C672 Y679 Q681 R682 V683 H688 T689	F670-L685 HydrophobicContact CB-CB 4.19Å; F670-L685 HydrophobicContact CB-CD2 3.84Å; C672-L685 VanDerWaalsContact CA-CD1 3.43Å; C672-L685 HydrophobicContact CB-CD1 3.66Å; Y679-L685 HydrophobicContact CD2-CB 4.14Å; Y679-L685 HydrophobicContact CD2-CD1 3.88Å; Y679-L685 HydrophobicContact CE2-CD1 4.33Å; Y679-L685 HydrophobicContact CG-CB 4.26Å; Q681-L685 PolarHBondContact O-N 3.19Å; Q681-L685 VanDerWaalsContact O-N 3.1Å; R682-L685 PolarHBondContact O-N 3.28Å; V683-L685 VanDerWaalsContact C-N 3.34Å; V683-L685 PolarHBondContact O-N 3.36Å; L685-H688 CarbonylContact O-C 3.49Å; L685-H688 PolarHBondContact O-N 2.62Å; L685-T689 HydrophobicContact CD1-CG2 3.74Å; L685-T689 HydrophobicContact CG-CG2 4.17Å; L685-T689 WeakPolarHBondContact O-CB 3.39Å; L685-T689 VanDerWaalsContact O-CG2 3.31Å; L685-T689 WeakPolarHBondContact O-CG2 3.46Å; L685-T689 PolarHBondContact O-N 3.24Å; L685-T689 PolarHBondContact O-OG1 2.8Å; L685-T689 VanDerWaalsContact O-OG1 3.1Å
686	R	86.4	Confident	85.3	Confident	133 Å²	133	82.5 Å²	82.5	50%	0.502	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-52.4	-179.5	-172.4	-171.1	-59.2	147.4	1.2	112.1	R682 V683 G684 H688 T689 E690	R682-R686 PolarHBondContact O-N 3.46Å; V683-R686 WeakPolarHBondContact O-CB 3.31Å; V683-R686 PolarHBondContact O-N 3.43Å; V683-R686 VanDerWaalsContact O-N 3.1Å; G684-R686 VanDerWaalsContact C-N 3.34Å; G684-R686 PolarHBondContact O-N 2.74Å; R686-H688 PolarHBondContact O-N 3.34Å; R686-T689 VanDerWaalsContact CA-OG1 3.32Å; R686-T689 WeakPolarHBondContact CA-OG1 3.46Å; R686-T689 PolarHBondContact O-N 3.06Å; R686-T689 VanDerWaalsContact O-N 3.1Å; R686-T689 PolarHBondContact O-OG1 3.32Å; R686-E690 PolarHBondContact O-N 3.13Å
687	I	87.7	Confident	84.6	Confident	84 Å²	84	85.9 Å²	85.9	43%	0.431	40%	0.396	S	S	.	.	H	α-helix	trans	-58.2	-44.1	178.3	-64.3	168	0	0	0	109.4	V683 E690 Q691	V683-I687 HydrophobicContact CG1-CD1 4.06Å; V683-I687 WeakPolarHBondContact O-CG1 3.48Å; V683-I687 PolarHBondContact O-N 3.42Å; I687-E690 PolarHBondContact O-N 3.39Å; I687-Q691 WeakPolarHBondContact O-CG 3.36Å; I687-Q691 PolarHBondContact O-N 2.88Å
688	H	87.9	Confident	83.3	Confident	20 Å²	20	86.1 Å²	86.1	9%	0.093	40%	0.399	C	S	.	.	H	α-helix	trans	-63.9	-43.5	175.6	171.7	67.7	0	0	0	112.6	C672 C675 Y679 G684 L685 R686 E690 Q691 C692	C672-H688 PolarHBondContact SG-CD2 3.11Å; C672-H688 PolarHBondContact SG-NE2 3.39Å; C672-H688 VanDerWaalsContact SG-NE2 3.36Å; C675-H688 PolarHBondContact SG-CE1 3.1Å; C675-H688 PolarHBondContact SG-NE2 2.75Å; Y679-H688 HydrophobicContact CE1-CB 3.86Å; Y679-H688 HydrophobicContact CE2-CB 3.75Å; Y679-H688 AromaticContact CE2-CD2 3.28Å; Y679-H688 WeakPolarHBondContact CE2-CD2 3.37Å; Y679-H688 AromaticContact CE2-CG 3.48Å; Y679-H688 VanDerWaalsContact CE2-CG 3.48Å; Y679-H688 AromaticContact CZ-CD2 3.56Å; Y679-H688 AromaticContact CZ-CG 3.23Å; Y679-H688 AromaticContact CZ-ND1 3.79Å; Y679-H688 WeakPolarHBondContact OH-CB 3.5Å; Y679-H688 PolarHBondContact OH-CD2 2.99Å; Y679-H688 VanDerWaalsContact OH-CD2 3.32Å; Y679-H688 PolarHBondContact OH-CE1 3.37Å; Y679-H688 PolarHBondContact OH-ND1 3.05Å; G684-H688 VanDerWaalsContact O-CB 3.23Å; G684-H688 WeakPolarHBondContact O-CB 3.4Å; G684-H688 PolarHBondContact O-N 2.88Å; L685-H688 CarbonylContact O-C 3.49Å; L685-H688 PolarHBondContact O-N 2.62Å; R686-H688 PolarHBondContact O-N 3.34Å; H688-E690 PolarHBondContact O-N 3.49Å; H688-Q691 CarbonylContact O-C 3.33Å; H688-Q691 PolarHBondContact O-N 3.01Å; H688-C692 WeakPolarHBondContact O-CA 3.43Å; H688-C692 WeakPolarHBondContact O-CB 3.26Å; H688-C692 PolarHBondContact O-N 3.35Å
689	T	85.5	Confident	81.7	Confident	31 Å²	31	89.3 Å²	89.3	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-62.3	-34.4	177.7	48.8	0	0	0	0	111.9	L685 R686 K693	L685-T689 HydrophobicContact CD1-CG2 3.74Å; L685-T689 HydrophobicContact CG-CG2 4.17Å; L685-T689 WeakPolarHBondContact O-CB 3.39Å; L685-T689 VanDerWaalsContact O-CG2 3.31Å; L685-T689 WeakPolarHBondContact O-CG2 3.46Å; L685-T689 PolarHBondContact O-N 3.24Å; L685-T689 PolarHBondContact O-OG1 2.8Å; L685-T689 VanDerWaalsContact O-OG1 3.1Å; R686-T689 VanDerWaalsContact CA-OG1 3.32Å; R686-T689 WeakPolarHBondContact CA-OG1 3.46Å; R686-T689 PolarHBondContact O-N 3.06Å; R686-T689 VanDerWaalsContact O-N 3.1Å; R686-T689 PolarHBondContact O-OG1 3.32Å; T689-K693 WeakPolarHBondContact O-CB 3.44Å; T689-K693 WeakPolarHBondContact O-CG 3.3Å; T689-K693 PolarHBondContact O-N 3.25Å
690	E	85.6	Confident	80.2	Confident	112 Å²	112	93 Å²	93	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-68	-44.4	174.2	-72.2	167.7	-164.5	0	0	111.5	R686 I687 H688 R694	R686-E690 PolarHBondContact O-N 3.13Å; I687-E690 PolarHBondContact O-N 3.39Å; H688-E690 PolarHBondContact O-N 3.49Å; E690-R694 PolarHBondContact O-N 3.1Å
691	Q	85.3	Confident	78.3	Confident	112 Å²	112	98.5 Å²	98.5	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-37.4	174.7	-69.5	174.3	-0.5	0	0	112.9	I687 H688 R694 R695	I687-Q691 WeakPolarHBondContact O-CG 3.36Å; I687-Q691 PolarHBondContact O-N 2.88Å; H688-Q691 CarbonylContact O-C 3.33Å; H688-Q691 PolarHBondContact O-N 3.01Å; Q691-R694 PolarHBondContact O-N 3.44Å; Q691-R695 WeakPolarHBondContact O-CG 3.44Å; Q691-R695 PolarHBondContact O-N 2.88Å
692	C	82.7	Confident	76	Confident	9 Å²	9	101.1 Å²	101.1	6%	0.061	47%	0.467	C	S	.	.	H	α-helix	trans	-67.1	-41.2	179.7	-157.7	0	0	0	0	110	H688 R695 F696	H688-C692 WeakPolarHBondContact O-CA 3.43Å; H688-C692 WeakPolarHBondContact O-CB 3.26Å; H688-C692 PolarHBondContact O-N 3.35Å; C692-R695 PolarHBondContact O-N 3.41Å; C692-F696 VanDerWaalsContact O-CD2 3.23Å; C692-F696 WeakPolarHBondContact O-CD2 3.47Å; C692-F696 PolarHBondContact O-N 2.9Å
693	K	83	Confident	74.1	Confident	115 Å²	115	98.5 Å²	98.5	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-58.1	-48.7	171.7	-77.7	177.1	178.4	-166.4	0	111.8	L674 T689 R695 F696 E697	L674-K693 HydrophobicContact CD1-CG 3.57Å; T689-K693 WeakPolarHBondContact O-CB 3.44Å; T689-K693 WeakPolarHBondContact O-CG 3.3Å; T689-K693 PolarHBondContact O-N 3.25Å; K693-R695 VanDerWaalsContact C-N 3.35Å; K693-R695 PolarHBondContact O-N 3.37Å; K693-F696 PolarHBondContact O-N 3.39Å; K693-E697 WeakPolarHBondContact O-CG 3.23Å; K693-E697 PolarHBondContact O-N 2.85Å
694	R	79.2	Confident	71.8	Confident	167 Å²	167	102.4 Å²	102.4	63%	0.63	48%	0.483	S	S	*	.	H	α-helix	trans	-58.3	-43.5	177.5	-71.2	-176.9	-176.3	-178.6	0.7	112.8	E690 Q691 F696 E697 E698	E690-R694 PolarHBondContact O-N 3.1Å; Q691-R694 PolarHBondContact O-N 3.44Å; R694-F696 PolarHBondContact O-N 3.49Å; R694-E697 PolarHBondContact O-N 3.3Å; R694-E698 WeakPolarHBondContact O-CG 3.34Å; R694-E698 PolarHBondContact O-N 2.98Å
695	R	75.7	Confident	69.2	Low	166 Å²	166	107.4 Å²	107.4	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-66.8	-35.6	177.2	-68.8	179.1	79.8	164.4	6.2	113	Q691 C692 K693 Q699	Q691-R695 WeakPolarHBondContact O-CG 3.44Å; Q691-R695 PolarHBondContact O-N 2.88Å; C692-R695 PolarHBondContact O-N 3.41Å; K693-R695 VanDerWaalsContact C-N 3.35Å; K693-R695 PolarHBondContact O-N 3.37Å; R695-Q699 WeakPolarHBondContact O-CG 3.39Å; R695-Q699 PolarHBondContact O-N 2.82Å; R695-Q699 VanDerWaalsContact O-N 3.11Å
696	F	70.3	Confident	66.3	Low	83 Å²	83	115.8 Å²	115.8	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-68	-36.9	172.6	-89.2	-72	0	0	0	111.5	L674 C692 K693 R694 M700	L674-F696 HydrophobicContact CB-CD2 4.34Å; L674-F696 HydrophobicContact CB-CE2 3.93Å; L674-F696 WeakPolarHBondContact O-CE2 2.99Å; L674-F696 WeakPolarHBondContact O-CZ 3.28Å; C692-F696 VanDerWaalsContact O-CD2 3.23Å; C692-F696 WeakPolarHBondContact O-CD2 3.47Å; C692-F696 PolarHBondContact O-N 2.9Å; K693-F696 PolarHBondContact O-N 3.39Å; R694-F696 PolarHBondContact O-N 3.49Å; F696-M700 WeakPolarHBondContact O-CG 3.37Å; F696-M700 PolarHBondContact O-N 3.39Å
697	E	71.8	Confident	64.3	Low	120 Å²	120	114.6 Å²	114.6	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-66.5	-44.3	175	-71.6	164.9	-178	0	0	111.3	K693 R694 Q699 M700 E701	K693-E697 WeakPolarHBondContact O-CG 3.23Å; K693-E697 PolarHBondContact O-N 2.85Å; R694-E697 PolarHBondContact O-N 3.3Å; E697-Q699 PolarHBondContact O-N 2.87Å; E697-M700 PolarHBondContact O-N 3.48Å; E697-E701 PolarHBondContact O-N 2.87Å
698	E	60.9	Low	61.5	Low	116 Å²	116	116.8 Å²	116.8	54%	0.542	57%	0.57	S	S	.	*	H	α-helix	trans	-63.1	-37.8	176.3	-72	164.7	-177.9	0	0	112.7	R694 M700 E701 D702	R694-E698 WeakPolarHBondContact O-CG 3.34Å; R694-E698 PolarHBondContact O-N 2.98Å; E698-M700 VanDerWaalsContact C-N 3.28Å; E698-M700 PolarHBondContact O-N 3.32Å; E698-E701 PolarHBondContact O-N 3.38Å; E698-D702 PolarHBondContact O-N 2.93Å
699	Q	57	Low	58.7	Low	128 Å²	128	127.7 Å²	127.7	60%	0.598	61%	0.611	S	S	*	*	H	α-helix	trans	-70.2	-21.5	176.6	-76.4	-175.2	-28.3	0	0	113.9	R695 E697	R695-Q699 WeakPolarHBondContact O-CG 3.39Å; R695-Q699 PolarHBondContact O-N 2.82Å; R695-Q699 VanDerWaalsContact O-N 3.11Å; E697-Q699 PolarHBondContact O-N 2.87Å
700	M	56.1	Low	56	Low	134 Å²	134	132.5 Å²	132.5	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-77.9	-26.6	173.1	-67.1	-173.1	-158.6	0	0	111.5	F696 E697 E698 T703	F696-M700 WeakPolarHBondContact O-CG 3.37Å; F696-M700 PolarHBondContact O-N 3.39Å; E697-M700 PolarHBondContact O-N 3.48Å; E698-M700 VanDerWaalsContact C-N 3.28Å; E698-M700 PolarHBondContact O-N 3.32Å; M700-T703 PolarHBondContact O-OG1 3.48Å; M700-T703 VanDerWaalsContact O-OG1 3.11Å
701	E	48.9	Very low	53.3	Low	144 Å²	144	137.4 Å²	137.4	67%	0.673	65%	0.648	S	S	*	*	H	α-helix	trans	-76.8	-32.4	178.6	-68.2	-176.3	165.3	0	0	113	E697 E698 T703 Q704	E697-E701 PolarHBondContact O-N 2.87Å; E698-E701 PolarHBondContact O-N 3.38Å; E701-T703 PolarHBondContact O-N 3.25Å; E701-Q704 PolarHBondContact O-N 2.78Å
702	D	40.7	Very low	50.6	Low	149 Å²	149	139.6 Å²	139.6	80%	0.797	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-12.9	179.3	-86	-22.4	0	0	0	114.5	E698 Q704	E698-D702 PolarHBondContact O-N 2.93Å; D702-Q704 VanDerWaalsContact C-N 3.35Å
703	T	45.5	Very low	48.2	Very low	112 Å²	112	146.9 Å²	146.9	69%	0.687	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-0.6	177.8	59.5	0	0	0	0	114	M700 E701	M700-T703 PolarHBondContact O-OG1 3.48Å; M700-T703 VanDerWaalsContact O-OG1 3.11Å; E701-T703 PolarHBondContact O-N 3.25Å
704	Q	39.3	Very low	45.8	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.743	71%	0.705	S	S	*	*	S	Bend	trans	-144.2	84.3	177.5	-64.5	-176.3	7.6	0	0	110.2	E701 D702	E701-Q704 PolarHBondContact O-N 2.78Å; D702-Q704 VanDerWaalsContact C-N 3.35Å
705	T	34	Very low	43.6	Very low	131 Å²	131	145.8 Å²	145.8	80%	0.804	71%	0.712	S	S	*	*			trans	174.8	115.3	134.1	32.1	0	0	0	0	114.1
706	F	28.8	Very low	41.8	Very low	206 Å²	206	145 Å²	145	90%	0.904	72%	0.72	S	S	*	*	S	Bend	trans	-69.5	159.4	142.8	-106.9	-99.6	0	0	0	109.2
707	P	43.6	Very low	40.3	Very low	109 Å²	109	146.9 Å²	146.9	71%	0.708	73%	0.733	S	S	*	*			trans	-92.5	130.6	-135	34	-34.4	0	0	0	113.5
708	T	30	Very low	38.8	Very low	129 Å²	129	150 Å²	150	79%	0.791	74%	0.741	S	S	*	*			trans	-129.3	116.8	145.6	41.6	0	0	0	0	110	I710	T708-I710 PolarHBondContact O-N 3.46Å
709	R	28.4	Very low	37.9	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	74%	0.736	S	S	*	*			trans	-66.2	86	178	-166	-169	-148.3	-167.2	7.8	109.5
710	I	29.3	Very low	37.2	Very low	131 Å²	131	143.6 Å²	143.6	67%	0.672	73%	0.73	S	S	*	*			trans	-129.8	96.4	163.6	-55.6	-178.8	0	0	0	110.4	T708 M712	T708-I710 PolarHBondContact O-N 3.46Å; I710-M712 HydrophobicContact CG2-CE 4.42Å; I710-M712 HydrophobicContact CG2-CG 3.86Å; I710-M712 PolarHBondContact O-N 3.35Å; I710-M712 VanDerWaalsContact O-N 3.09Å
711	R	28.4	Very low	36.8	Very low	216 Å²	216	142.3 Å²	142.3	82%	0.815	73%	0.725	S	S	*	*			trans	-56.2	98.7	163.8	-179.4	-180	179	153.6	-3.2	109.8
712	M	29.9	Very low	37.2	Very low	158 Å²	158	143.4 Å²	143.4	78%	0.778	73%	0.727	S	S	*	*			trans	-125.5	83.6	165.8	-75.6	-83.7	169.6	0	0	109.4	I710 T714	I710-M712 HydrophobicContact CG2-CE 4.42Å; I710-M712 HydrophobicContact CG2-CG 3.86Å; I710-M712 PolarHBondContact O-N 3.35Å; I710-M712 VanDerWaalsContact O-N 3.09Å; M712-T714 PolarHBondContact O-N 2.86Å
713	K	32.2	Very low	37.6	Very low	162 Å²	162	142 Å²	142	70%	0.704	72%	0.716	S	S	*	*			trans	-59.2	125.1	161.1	-76.3	-180	174.3	-176	0	108.7	T715	K713-T715 PolarHBondContact O-N 2.96Å
714	T	32.3	Very low	38	Very low	131 Å²	131	141.9 Å²	141.9	80%	0.804	71%	0.711	S	S	*	*			trans	35.2	75.4	143.1	57.8	0	0	0	0	116.8	M712	M712-T714 PolarHBondContact O-N 2.86Å
715	T	33.4	Very low	39.2	Very low	128 Å²	128	140.4 Å²	140.4	79%	0.785	70%	0.702	S	S	*	*			trans	-128.1	93.8	143	47.9	0	0	0	0	108.1	K713 N717	K713-T715 PolarHBondContact O-N 2.96Å; T715-N717 PolarHBondContact O-N 3.49Å
716	L	37.2	Very low	40.7	Very low	150 Å²	150	140.9 Å²	140.9	79%	0.785	69%	0.693	S	S	*	*			trans	-25.9	125.1	153.5	-82.9	145.5	0	0	0	111	Y718	L716-Y718 HydrophobicContact CB-CD2 4.47Å; L716-Y718 WeakPolarHBondContact O-CD2 3.37Å; L716-Y718 PolarHBondContact O-N 3.05Å
717	N	38.1	Very low	42.5	Very low	121 Å²	121	135.7 Å²	135.7	65%	0.647	67%	0.674	S	S	*	*			trans	-63	70.6	-177.6	-150.6	-23.4	0	0	0	110.8	T715 G719 C720	T715-N717 PolarHBondContact O-N 3.49Å; N717-G719 PolarHBondContact O-N 3.29Å; N717-C720 PolarHBondContact O-N 3.27Å
718	Y	40.3	Very low	43.5	Very low	185 Å²	185	133.6 Å²	133.6	73%	0.725	66%	0.661	S	S	*	*	H	α-helix	trans	-62	-14.8	171.3	-93.4	-89.8	0	0	0	112	L716	L716-Y718 HydrophobicContact CB-CD2 4.47Å; L716-Y718 WeakPolarHBondContact O-CD2 3.37Å; L716-Y718 PolarHBondContact O-N 3.05Å
719	G	42.5	Very low	45.3	Very low	42 Å²	42	135.9 Å²	135.9	43%	0.433	66%	0.655	S	S	.	*	H	α-helix	trans	-70.5	-40.9	174.3	0	0	0	0	0	113.5	N717 L721 K722 Q723	N717-G719 PolarHBondContact O-N 3.29Å; G719-L721 PolarHBondContact O-N 3.5Å; G719-K722 PolarHBondContact O-N 3.17Å; G719-Q723 PolarHBondContact O-N 3.29Å; G719-Q723 VanDerWaalsContact O-N 3.12Å
720	C	43	Very low	47	Very low	69 Å²	69	131.3 Å²	131.3	47%	0.466	64%	0.642	S	S	.	*	H	α-helix	trans	-68.7	-35.4	-176.3	-147.5	0	0	0	0	112.2	N717 Q723 L724	N717-C720 PolarHBondContact O-N 3.27Å; C720-Q723 PolarHBondContact O-N 2.85Å; C720-L724 PolarHBondContact O-N 2.8Å
721	L	47.9	Very low	48.5	Very low	107 Å²	107	129.7 Å²	129.7	56%	0.56	64%	0.635	S	S	*	*	H	α-helix	trans	-66.9	-34.1	172.9	-92	154.6	0	0	0	113.3	G719 K725	G719-L721 PolarHBondContact O-N 3.5Å; L721-K725 WeakPolarHBondContact O-CG 3.27Å; L721-K725 PolarHBondContact O-N 2.87Å; L721-K725 VanDerWaalsContact O-N 3.12Å
722	K	56.1	Low	50.4	Low	166 Å²	166	122.2 Å²	122.2	72%	0.722	62%	0.619	S	S	*	*	H	α-helix	trans	-69.4	-38.8	174.3	-85.2	-176.6	178.2	177	0	111.4	G719 K725 K726	G719-K722 PolarHBondContact O-N 3.17Å; K722-K725 PolarHBondContact O-N 2.99Å; K722-K726 PolarHBondContact O-N 2.85Å
723	Q	48.9	Very low	52.2	Low	119 Å²	119	124.5 Å²	124.5	56%	0.556	62%	0.619	S	S	*	*	H	α-helix	trans	-67.9	-43.7	176.3	-70.2	-67.5	9.9	0	0	112.2	G719 C720 K725 K726 I727	G719-Q723 PolarHBondContact O-N 3.29Å; G719-Q723 VanDerWaalsContact O-N 3.12Å; C720-Q723 PolarHBondContact O-N 2.85Å; Q723-K725 VanDerWaalsContact C-N 3.33Å; Q723-K725 PolarHBondContact O-N 3.41Å; Q723-K726 WeakPolarHBondContact O-CB 3.46Å; Q723-K726 PolarHBondContact O-N 3.46Å; Q723-I727 WeakPolarHBondContact O-CG1 3.45Å; Q723-I727 PolarHBondContact O-N 3.44Å
724	L	55	Low	53.5	Low	111 Å²	111	121 Å²	121	58%	0.581	61%	0.608	S	S	*	*	H	α-helix	trans	-59.3	-39.8	174.4	-95.6	149	0	0	0	112.8	C720 K726 I727 S728	C720-L724 PolarHBondContact O-N 2.8Å; L724-K726 VanDerWaalsContact C-N 3.35Å; L724-I727 PolarHBondContact O-N 3.07Å; L724-S728 PolarHBondContact O-N 3.47Å
725	K	64.2	Low	55	Low	127 Å²	127	120.2 Å²	120.2	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-69.7	-28.8	173.9	-75.1	-178.2	179.7	-179	0	113.2	L721 K722 Q723 S728 R729	L721-K725 WeakPolarHBondContact O-CG 3.27Å; L721-K725 PolarHBondContact O-N 2.87Å; L721-K725 VanDerWaalsContact O-N 3.12Å; K722-K725 PolarHBondContact O-N 2.99Å; Q723-K725 VanDerWaalsContact C-N 3.33Å; Q723-K725 PolarHBondContact O-N 3.41Å; K725-S728 PolarHBondContact O-OG 2.89Å; K725-R729 VanDerWaalsContact O-CG 3.29Å; K725-R729 WeakPolarHBondContact O-CG 3.16Å; K725-R729 PolarHBondContact O-N 3.13Å
726	K	65.1	Low	56.1	Low	142 Å²	142	118 Å²	118	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-72.6	-40.3	175.1	-128.4	176.8	-177.1	-179.4	0	111	K722 Q723 L724 K730	K722-K726 PolarHBondContact O-N 2.85Å; Q723-K726 WeakPolarHBondContact O-CB 3.46Å; Q723-K726 PolarHBondContact O-N 3.46Å; L724-K726 VanDerWaalsContact C-N 3.35Å; K726-K730 PolarHBondContact O-N 3.38Å; K726-K730 VanDerWaalsContact O-N 3.1Å
727	I	66	Low	56.9	Low	97 Å²	97	116 Å²	116	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-67.7	-42.8	176.4	-64.5	166	0	0	0	110.7	Q723 L724 R729 K730 L731	Q723-I727 WeakPolarHBondContact O-CG1 3.45Å; Q723-I727 PolarHBondContact O-N 3.44Å; L724-I727 PolarHBondContact O-N 3.07Å; I727-R729 VanDerWaalsContact C-N 3.34Å; I727-R729 PolarHBondContact O-N 2.87Å; I727-K730 PolarHBondContact O-N 3.5Å; I727-L731 HydrophobicContact CG2-CD1 3.94Å; I727-L731 PolarHBondContact O-N 3.22Å
728	S	66.1	Low	57.5	Low	65 Å²	65	114.9 Å²	114.9	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-64.3	-36.7	177.7	75.2	0	0	0	0	112.9	L724 K725 L731 A732	L724-S728 PolarHBondContact O-N 3.47Å; K725-S728 PolarHBondContact O-OG 2.89Å; S728-L731 PolarHBondContact O-N 2.86Å; S728-A732 WeakPolarHBondContact O-CB 3.44Å; S728-A732 PolarHBondContact O-N 3.19Å
729	R	68.1	Low	58.3	Low	176 Å²	176	109 Å²	109	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-35.2	174.2	-71.2	177.2	-165.9	179.9	2.6	112.9	K725 I727 R733	K725-R729 VanDerWaalsContact O-CG 3.29Å; K725-R729 WeakPolarHBondContact O-CG 3.16Å; K725-R729 PolarHBondContact O-N 3.13Å; I727-R729 VanDerWaalsContact C-N 3.34Å; I727-R729 PolarHBondContact O-N 2.87Å; R729-R733 PolarHBondContact O-N 2.84Å
730	K	63.5	Low	58.6	Low	154 Å²	154	115.3 Å²	115.3	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-66.6	-43.8	172.9	-83.9	-173.2	174	-173.4	0	111.4	K726 I727 A732 R733 L734	K726-K730 PolarHBondContact O-N 3.38Å; K726-K730 VanDerWaalsContact O-N 3.1Å; I727-K730 PolarHBondContact O-N 3.5Å; K730-A732 PolarHBondContact O-N 3.35Å; K730-R733 PolarHBondContact O-N 3.43Å; K730-L734 WeakPolarHBondContact O-CG 3.45Å; K730-L734 PolarHBondContact O-N 3.32Å
731	L	61.2	Low	58.7	Low	98 Å²	98	117.5 Å²	117.5	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-38.7	175.6	-77.4	165.1	0	0	0	112.3	I727 S728 R733 L734 L735	I727-L731 HydrophobicContact CG2-CD1 3.94Å; I727-L731 PolarHBondContact O-N 3.22Å; S728-L731 PolarHBondContact O-N 2.86Å; L731-R733 VanDerWaalsContact C-N 3.25Å; L731-R733 PolarHBondContact O-N 3.18Å; L731-L734 PolarHBondContact O-N 2.84Å; L731-L734 VanDerWaalsContact O-N 3.08Å; L731-L735 WeakPolarHBondContact O-CG 3.29Å; L731-L735 PolarHBondContact O-N 2.94Å
732	A	68.7	Low	58.4	Low	59 Å²	59	120.6 Å²	120.6	49%	0.488	59%	0.592	S	S	.	*	H	α-helix	trans	-63.2	-29.1	176.1	0	0	0	0	0	113.5	S728 K730 P736	S728-A732 WeakPolarHBondContact O-CB 3.44Å; S728-A732 PolarHBondContact O-N 3.19Å; K730-A732 PolarHBondContact O-N 3.35Å; A732-P736 WeakPolarHBondContact O-CD 3.36Å
733	R	66	Low	57.7	Low	206 Å²	206	121.5 Å²	121.5	78%	0.777	60%	0.599	S	S	*	*	H	α-helix	trans	-80.3	-21.6	173.8	-69.2	-179.9	-178.2	-173.1	-1.7	113.4	R729 K730 L731	R729-R733 PolarHBondContact O-N 2.84Å; K730-R733 PolarHBondContact O-N 3.43Å; L731-R733 VanDerWaalsContact C-N 3.25Å; L731-R733 PolarHBondContact O-N 3.18Å
734	L	60.9	Low	57.3	Low	88 Å²	88	118.2 Å²	118.2	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-88.8	-21.3	178.6	-70.2	168.7	0	0	0	113	K730 L731 L737 L738	K730-L734 WeakPolarHBondContact O-CG 3.45Å; K730-L734 PolarHBondContact O-N 3.32Å; L731-L734 PolarHBondContact O-N 2.84Å; L731-L734 VanDerWaalsContact O-N 3.08Å; L734-L737 HydrophobicContact CD2-CD1 4.27Å; L734-L737 PolarHBondContact O-N 3.29Å; L734-L737 VanDerWaalsContact O-N 3.14Å; L734-L738 WeakPolarHBondContact O-CG 3.41Å; L734-L738 PolarHBondContact O-N 3.43Å
735	L	63.4	Low	56.4	Low	115 Å²	115	120.4 Å²	120.4	60%	0.602	61%	0.605	S	S	*	*	H	α-helix	trans	-58.6	-39.4	179.2	-81.5	165.8	0	0	0	114.3	L731 A739	L731-L735 WeakPolarHBondContact O-CG 3.29Å; L731-L735 PolarHBondContact O-N 2.94Å; L735-A739 PolarHBondContact O-N 3.05Å
736	P	56	Low	54.8	Low	81 Å²	81	125 Å²	125	53%	0.526	62%	0.62	S	S	.	*	H	α-helix	trans	-68.3	-33.5	174	-20.7	33.4	0	0	0	113.3	A732 A739 F740	A732-P736 WeakPolarHBondContact O-CD 3.36Å; P736-A739 PolarHBondContact O-N 3.25Å; P736-F740 PolarHBondContact O-N 2.95Å; P736-F740 VanDerWaalsContact O-N 3.14Å
737	L	54.9	Low	53.3	Low	109 Å²	109	124.8 Å²	124.8	57%	0.571	63%	0.631	S	S	*	*	H	α-helix	trans	-72.5	-36.3	177.9	-69.9	168.5	0	0	0	111.6	L734 F740 L741	L734-L737 HydrophobicContact CD2-CD1 4.27Å; L734-L737 PolarHBondContact O-N 3.29Å; L734-L737 VanDerWaalsContact O-N 3.14Å; L737-F740 PolarHBondContact O-N 2.88Å; L737-L741 WeakPolarHBondContact O-CG 3.34Å; L737-L741 PolarHBondContact O-N 3.44Å; L737-L741 VanDerWaalsContact O-N 3.07Å
738	L	50.8	Low	51.7	Low	96 Å²	96	124.6 Å²	124.6	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-69.6	-33.3	173.6	-73.3	167.5	0	0	0	112.2	L734 F740 L741 Q742	L734-L738 WeakPolarHBondContact O-CG 3.41Å; L734-L738 PolarHBondContact O-N 3.43Å; L738-F740 VanDerWaalsContact C-N 3.33Å; L738-L741 PolarHBondContact O-N 2.83Å; L738-Q742 PolarHBondContact O-N 3.38Å
739	A	56	Low	50	Low	62 Å²	62	125.8 Å²	125.8	51%	0.512	66%	0.657	S	S	.	*	H	α-helix	trans	-67.4	-34.2	172.5	0	0	0	0	0	112.2	L735 P736 Q742	L735-A739 PolarHBondContact O-N 3.05Å; P736-A739 PolarHBondContact O-N 3.25Å; A739-Q742 PolarHBondContact O-N 3.29Å
740	F	48.1	Very low	48.4	Very low	174 Å²	174	124.7 Å²	124.7	76%	0.763	66%	0.663	S	S	*	*	H	α-helix	trans	-72.2	-32.1	175	-116.9	-87	0	0	0	113.1	P736 L737 L738 Q742	P736-F740 PolarHBondContact O-N 2.95Å; P736-F740 VanDerWaalsContact O-N 3.14Å; L737-F740 PolarHBondContact O-N 2.88Å; L738-F740 VanDerWaalsContact C-N 3.33Å; F740-Q742 VanDerWaalsContact C-N 3.29Å; F740-Q742 PolarHBondContact O-N 3.23Å
741	L	45.2	Very low	47	Very low	116 Å²	116	123.1 Å²	123.1	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-77.2	-13.9	176.5	-71	169	0	0	0	113.4	L737 L738 E743 A744	L737-L741 WeakPolarHBondContact O-CG 3.34Å; L737-L741 PolarHBondContact O-N 3.44Å; L737-L741 VanDerWaalsContact O-N 3.07Å; L738-L741 PolarHBondContact O-N 2.83Å; L741-E743 VanDerWaalsContact C-N 3.29Å; L741-E743 PolarHBondContact O-N 3.28Å; L741-A744 PolarHBondContact O-N 3.46Å
742	Q	42.6	Very low	45.7	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.804	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-12.7	-179.3	-139.5	158.7	-36.8	0	0	113.5	L738 A739 F740	L738-Q742 PolarHBondContact O-N 3.38Å; A739-Q742 PolarHBondContact O-N 3.29Å; F740-Q742 VanDerWaalsContact C-N 3.29Å; F740-Q742 PolarHBondContact O-N 3.23Å
743	E	41.4	Very low	44	Very low	184 Å²	184	126.6 Å²	126.6	86%	0.86	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-13.9	170.8	-73.1	-78.8	151	0	0	112.5	L741	L741-E743 VanDerWaalsContact C-N 3.29Å; L741-E743 PolarHBondContact O-N 3.28Å
744	A	40.4	Very low	42.4	Very low	51 Å²	51	125.5 Å²	125.5	42%	0.421	70%	0.701	S	S	.	*	S	Bend	trans	-124.6	107.9	-176.7	0	0	0	0	0	111.1	L741	L741-A744 PolarHBondContact O-N 3.46Å
745	N	35.6	Very low	41.1	Very low	157 Å²	157	130.4 Å²	130.4	84%	0.84	72%	0.719	S	S	*	*			trans	102	81.7	169.8	-53.1	-28.7	0	0	0	116.1
746	Y	31.9	Very low	39.5	Very low	222 Å²	222	132 Å²	132	87%	0.871	73%	0.728	S	S	*	*			trans	-45.2	146.9	133.1	-96.6	-109.5	0	0	0	110.9
747	V	33.7	Very low	38.6	Very low	139 Å²	139	134.8 Å²	134.8	84%	0.842	75%	0.748	S	S	*	*			trans	106.1	104.7	165.7	-168.7	0	0	0	0	116.3
748	A	31	Very low	37.3	Very low	92 Å²	92	135 Å²	135	76%	0.76	76%	0.758	S	S	*	*			trans	85.3	138.5	147.2	0	0	0	0	0	121.9
749	A	31.9	Very low	37	Very low	91 Å²	91	144.1 Å²	144.1	75%	0.752	79%	0.794	S	S	*	*			trans	76.5	136.7	158.3	0	0	0	0	0	118.2
750	I	33.7	Very low	36	Very low	152 Å²	152	148.2 Å²	148.2	78%	0.779	81%	0.809	S	S	*	*			cis	-161.2	152.6	7	-92.3	151.1	0	0	0	107.4
751	P	34.1	Very low	35.4	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	81%	0.811	S	S	*	*			trans	-88.6	127.8	-175.4	7.3	12.1	0	0	0	113.5	G753	P751-G753 PolarHBondContact O-N 3.05Å
752	I	34.1	Very low	34.8	Very low	156 Å²	156	148.6 Å²	148.6	80%	0.8	82%	0.822	S	S	*	*			trans	-85.1	99.4	172.5	-58.6	171.9	0	0	0	109	M754	I752-M754 HydrophobicContact CG2-CG 4.22Å
753	G	32.6	Very low	34.4	Very low	74 Å²	74	147.2 Å²	147.2	76%	0.763	82%	0.823	S	S	*	*			trans	-89.7	107.4	168.2	0	0	0	0	0	111	P751 K755	P751-G753 PolarHBondContact O-N 3.05Å; G753-K755 PolarHBondContact O-N 2.93Å
754	M	33	Very low	33.9	Very low	184 Å²	184	144.9 Å²	144.9	91%	0.906	82%	0.821	S	S	*	*			trans	-88.3	100.4	167.9	-64.6	-174.8	81.9	0	0	109.2	I752	I752-M754 HydrophobicContact CG2-CG 4.22Å
755	K	32.4	Very low	33.5	Very low	191 Å²	191	151.1 Å²	151.1	83%	0.83	85%	0.848	S	S	*	*			trans	-112.4	146.8	159.8	-82.8	-174.9	177.3	179.5	0	108.3	G753	G753-K755 PolarHBondContact O-N 2.93Å
756	N	30.8	Very low	33.4	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	85%	0.848	S	S	*	*			trans	88.4	100.3	170.6	-56.6	-9.1	0	0	0	116.6
757	C	35.7	Very low	33.5	Very low	140 Å²	140	145.2 Å²	145.2	95%	0.946	85%	0.847	S	S	*	*			trans	-134.9	88.3	145.5	-83.7	0	0	0	0	106.7
758	S	29.2	Very low	33.5	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	85%	0.847	S	S	*	*			trans	-102.5	118.2	152.1	-56.7	0	0	0	0	105.2
759	F	43	Very low	33.7	Very low	288 Å²	288	150.6 Å²	150.6	100%	1.263	86%	0.855	S	S	*	*			trans	-146.6	0	158.6	-116.4	-78.7	0	0	0	106.9

Retrieved 759 of 759 residues in 361.1 ms (Link to these results)

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