A0A5K4F1L7_SCHMA Loading...

FAD-binding PCMH-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1L7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 590 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	24	Very low	26.9	Very low	241 Å²	241	148.6 Å²	148.6	100%	1.187	77%	0.765	S	S	*	*				0	105.2	0	-87.3	-176.9	173.2	0	0	105.5
2	D	22.1	Very low	27.2	Very low	161 Å²	161	147 Å²	147	86%	0.861	76%	0.759	S	S	*	*			trans	-72	137.3	-163.2	-55.3	-58	0	0	0	111.9
3	S	24.3	Very low	27.5	Very low	91 Å²	91	146.8 Å²	146.8	64%	0.636	76%	0.76	S	S	*	*			trans	-142.9	96.9	144.1	64.1	0	0	0	0	108.3	Y5	S3-Y5 PolarHBondContact O-N 3.24Å
4	V	23.4	Very low	27.6	Very low	140 Å²	140	149.5 Å²	149.5	85%	0.848	76%	0.763	S	S	*	*			trans	-73.9	97.5	159.4	173.9	0	0	0	0	104.7	S6	V4-S6 PolarHBondContact O-N 3.49Å
5	Y	24	Very low	27.6	Very low	179 Å²	179	147.9 Å²	147.9	70%	0.702	76%	0.755	S	S	*	*			trans	-72.3	112.7	169.1	-91.1	-89	0	0	0	108.3	S3	S3-Y5 PolarHBondContact O-N 3.24Å
6	S	26.9	Very low	27.7	Very low	82 Å²	82	150.3 Å²	150.3	57%	0.573	76%	0.763	S	S	*	*			trans	-68.1	138.8	176.9	177.2	0	0	0	0	110.2	V4 K8	V4-S6 PolarHBondContact O-N 3.49Å; S6-K8 PolarHBondContact O-N 3.44Å
7	N	29.4	Very low	27.6	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	21.5	177.8	-80.5	-24.1	0	0	0	115.3
8	K	31.6	Very low	27.5	Very low	170 Å²	170	153.4 Å²	153.4	74%	0.739	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-25	-177.3	-132.2	176.8	-179.5	-175.8	0	113.4	S6 M10	S6-K8 PolarHBondContact O-N 3.44Å; K8-M10 VanDerWaalsContact C-N 3.35Å; K8-M10 PolarHBondContact O-N 3.49Å
9	E	29.6	Very low	27.6	Very low	137 Å²	137	152.5 Å²	152.5	64%	0.64	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-2.9	-177.5	-76.6	-178.4	159.5	0	0	114.9
10	M	29.4	Very low	27.7	Very low	160 Å²	160	152.6 Å²	152.6	79%	0.788	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-7.9	-177.8	-134.5	-179.6	-171.7	0	0	114.1	K8	K8-M10 VanDerWaalsContact C-N 3.35Å; K8-M10 PolarHBondContact O-N 3.49Å
11	I	31.3	Very low	27.8	Very low	122 Å²	122	152 Å²	152	63%	0.626	77%	0.766	S	S	*	*	S	Bend	trans	-96.1	-25.6	-174.3	-65.2	177.1	0	0	0	112	N13	I11-N13 PolarHBondContact O-N 3.32Å
12	D	30.5	Very low	28.2	Very low	129 Å²	129	148.8 Å²	148.8	69%	0.69	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-6.4	-174.7	-66.2	-20.5	0	0	0	114.5
13	N	31.3	Very low	28.4	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	14.2	179.1	-75	-23.7	0	0	0	114.3	I11	I11-N13 PolarHBondContact O-N 3.32Å
14	F	28.6	Very low	28.8	Very low	184 Å²	184	148 Å²	148	81%	0.807	76%	0.757	S	S	*	*	S	Bend	trans	-120.2	14.4	-177.7	-92.4	-77.2	0	0	0	114.9
15	I	27.9	Very low	28.9	Very low	125 Å²	125	148.5 Å²	148.5	64%	0.641	76%	0.755	S	S	*	*			trans	-116.9	80.9	170.8	-52.6	177.2	0	0	0	106.9
16	E	29.3	Very low	29.2	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.874	76%	0.763	S	S	*	*			trans	-94.3	116.9	154.1	-86.4	-174.2	166.9	0	0	106.9	Y18	E16-Y18 PolarHBondContact O-N 3.22Å
17	D	26.4	Very low	29.2	Very low	135 Å²	135	149.3 Å²	149.3	72%	0.722	77%	0.774	S	S	*	*			trans	-56.8	122	-177.5	-62.1	-47.1	0	0	0	111.9
18	Y	25.6	Very low	29.2	Very low	222 Å²	222	146.8 Å²	146.8	87%	0.871	77%	0.774	S	S	*	*			trans	-105.9	86.6	156.9	-102.1	-89.3	0	0	0	107.6	E16	E16-Y18 PolarHBondContact O-N 3.22Å
19	D	29.8	Very low	29.1	Very low	135 Å²	135	146 Å²	146	72%	0.722	78%	0.784	S	S	*	*			trans	-103.8	88.7	174.3	-131.5	-0.7	0	0	0	108.4	N21	D19-N21 PolarHBondContact O-N 2.92Å
20	D	29.4	Very low	29	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	79%	0.789	S	S	*	*			trans	-93.9	83.9	169.5	-98.1	-20.3	0	0	0	108.9
21	N	29.4	Very low	29	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	79%	0.791	S	S	*	*			trans	-118.2	101.5	167.3	-97.8	-36.8	0	0	0	110.2	D19	D19-N21 PolarHBondContact O-N 2.92Å
22	N	32.6	Very low	28.9	Very low	174 Å²	174	141.7 Å²	141.7	93%	0.93	79%	0.791	S	S	*	*			trans	-135.2	96.7	159.6	-101.3	-28.3	0	0	0	110.6
23	G	26.5	Very low	29.2	Very low	67 Å²	67	139.5 Å²	139.5	69%	0.691	78%	0.784	S	S	*	*			trans	81.7	108.9	139.2	0	0	0	0	0	118.4
24	I	31.5	Very low	29.5	Very low	169 Å²	169	137.2 Å²	137.2	87%	0.867	77%	0.772	S	S	*	*				-170.2	127.7	109	-87.3	150	0	0	0	108.3
25	N	25.3	Very low	30	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	76%	0.762	S	S	*	*			trans	-61.2	137.7	170.4	-74.8	-34	0	0	0	111
26	D	30.3	Very low	30.6	Very low	163 Å²	163	134.6 Å²	134.6	87%	0.872	76%	0.763	S	S	*	*				-159.8	139.8	128.5	-96.1	-23.6	0	0	0	111.8
27	S	27.5	Very low	31.1	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	75%	0.749	S	S	*	*			trans	-74.7	134.3	-171.2	55.8	0	0	0	0	114.2
28	A	29.5	Very low	31.7	Very low	98 Å²	98	131.5 Å²	131.5	81%	0.81	74%	0.744	S	S	*	*			trans	-162.7	125.8	143.2	0	0	0	0	0	110.6	A30	A28-A30 PolarHBondContact O-N 3.31Å
29	T	29.4	Very low	32.4	Very low	154 Å²	154	126.9 Å²	126.9	95%	0.945	73%	0.73	S	S	*	*			trans	-60.3	119.7	173.6	17.6	0	0	0	0	112.3
30	A	27.4	Very low	33.1	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	72%	0.722	S	S	*	*			trans	-152.7	132.6	157.1	0	0	0	0	0	109.4	A28	A28-A30 PolarHBondContact O-N 3.31Å
31	T	28.7	Very low	33.8	Very low	137 Å²	137	125.6 Å²	125.6	84%	0.84	71%	0.713	S	S	*	*			trans	-8.2	125.4	168.8	37.3	0	0	0	0	117.4
32	T	30	Very low	34.5	Very low	101 Å²	101	125.7 Å²	125.7	62%	0.62	71%	0.709	S	S	*	*			trans	-50	127.6	174.6	33.7	0	0	0	0	112.4	D34	T32-D34 VanDerWaalsContact C-N 3.33Å
33	P	36.3	Very low	35.1	Very low	82 Å²	82	123.6 Å²	123.6	53%	0.532	69%	0.691	S	S	.	*	S	Bend	trans	-82.2	-7.6	170.4	13.7	0.4	0	0	0	113.8	D35 E36 E37	P33-D35 VanDerWaalsContact C-N 3.34Å; P33-D35 PolarHBondContact O-N 2.99Å; P33-E36 PolarHBondContact O-N 3.39Å; P33-E37 PolarHBondContact O-N 3.43Å
34	D	38.6	Very low	36.3	Very low	98 Å²	98	124.8 Å²	124.8	52%	0.524	68%	0.682	S	S	.	*	H	α-helix	trans	-64.1	-33.6	-168	-56.8	-15.7	0	0	0	113.4	T32 E36 E37 E38	T32-D34 VanDerWaalsContact C-N 3.33Å; D34-E36 PolarHBondContact O-N 3.42Å; D34-E37 PolarHBondContact O-N 3.29Å; D34-E38 PolarHBondContact O-N 3.35Å
35	D	39.1	Very low	37.1	Very low	113 Å²	113	123.2 Å²	123.2	60%	0.604	67%	0.671	S	S	*	*	H	α-helix	trans	-73.4	-25.6	-179.8	-65	-28.8	0	0	0	113.1	P33 E39	P33-D35 VanDerWaalsContact C-N 3.34Å; P33-D35 PolarHBondContact O-N 2.99Å; D35-E39 PolarHBondContact O-N 3.49Å
36	E	39.1	Very low	38.2	Very low	140 Å²	140	122.8 Å²	122.8	65%	0.654	66%	0.664	S	S	*	*	H	α-helix	trans	-85.9	-19.4	177.2	-75.4	-168.2	-175.7	0	0	113	P33 D34 K40	P33-E36 PolarHBondContact O-N 3.39Å; D34-E36 PolarHBondContact O-N 3.42Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.98Å
37	E	40	Very low	39.3	Very low	124 Å²	124	120.2 Å²	120.2	58%	0.579	65%	0.65	S	S	*	*	H	α-helix	trans	-81.4	-41.2	173.9	-75.4	-172.4	163.1	0	0	111.3	P33 D34 K40 E41	P33-E37 PolarHBondContact O-N 3.43Å; D34-E37 PolarHBondContact O-N 3.29Å; E37-K40 PolarHBondContact O-N 3.29Å; E37-E41 WeakPolarHBondContact O-CG 3.38Å; E37-E41 PolarHBondContact O-N 3.28Å
38	E	39.8	Very low	40.5	Very low	133 Å²	133	119.9 Å²	119.9	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-63.2	-43.6	174.2	-75.7	-172.5	166.8	0	0	112.4	D34 K40 E41 E42	D34-E38 PolarHBondContact O-N 3.35Å; E38-K40 VanDerWaalsContact C-N 3.27Å; E38-K40 PolarHBondContact O-N 3.45Å; E38-E41 PolarHBondContact O-N 3.45Å; E38-E42 PolarHBondContact O-N 3.47Å
39	E	39.9	Very low	41.8	Very low	125 Å²	125	120.5 Å²	120.5	58%	0.584	62%	0.624	S	S	*	*	H	α-helix	trans	-66.5	-25.9	176	-82.5	-164.7	175.5	0	0	113.5	D35 K43	D35-E39 PolarHBondContact O-N 3.49Å; E39-K43 PolarHBondContact O-N 3.14Å
40	K	45	Very low	43.2	Very low	128 Å²	128	118.1 Å²	118.1	56%	0.557	61%	0.606	S	S	*	*	H	α-helix	trans	-77.9	-39.4	173.5	-85.3	175.9	-173.8	153.3	0	111.6	E36 E37 E38 D44	E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.98Å; E37-K40 PolarHBondContact O-N 3.29Å; E38-K40 VanDerWaalsContact C-N 3.27Å; E38-K40 PolarHBondContact O-N 3.45Å; K40-D44 VanDerWaalsContact O-CB 3.28Å; K40-D44 WeakPolarHBondContact O-CB 3.28Å; K40-D44 PolarHBondContact O-N 3.24Å
41	E	43.6	Very low	45.1	Very low	135 Å²	135	117.1 Å²	117.1	63%	0.631	59%	0.588	S	S	*	*	H	α-helix	trans	-66.8	-42.1	176.6	-73.5	-169.4	160.6	0	0	111.7	E37 E38 D44 E45	E37-E41 WeakPolarHBondContact O-CG 3.38Å; E37-E41 PolarHBondContact O-N 3.28Å; E38-E41 PolarHBondContact O-N 3.45Å; E41-D44 PolarHBondContact O-N 2.99Å; E41-E45 WeakPolarHBondContact O-CG 3.48Å; E41-E45 PolarHBondContact O-N 3.4Å
42	E	44.4	Very low	47	Very low	142 Å²	142	111.4 Å²	111.4	66%	0.664	55%	0.552	S	S	*	*	H	α-helix	trans	-63.4	-41.8	175.2	-77.1	-168.5	157.6	0	0	112.5	E38 E45 E46	E38-E42 PolarHBondContact O-N 3.47Å; E42-E45 PolarHBondContact O-N 3.41Å; E42-E46 PolarHBondContact O-N 3.22Å
43	K	46.1	Very low	49.4	Very low	130 Å²	130	110.4 Å²	110.4	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-40.9	174.3	-84.7	177	-178.9	153.8	0	112.7	E39 E45 E46 D47	E39-K43 PolarHBondContact O-N 3.14Å; K43-E45 PolarHBondContact O-N 2.91Å; K43-E46 PolarHBondContact O-N 3.4Å; K43-D47 WeakPolarHBondContact O-CB 3.49Å; K43-D47 PolarHBondContact O-N 3.41Å
44	D	50	Low	51.7	Low	93 Å²	93	110.6 Å²	110.6	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-67.9	-24.9	176.8	-84.2	-8.1	0	0	0	112.1	K40 E41 K48	K40-D44 VanDerWaalsContact O-CB 3.28Å; K40-D44 WeakPolarHBondContact O-CB 3.28Å; K40-D44 PolarHBondContact O-N 3.24Å; E41-D44 PolarHBondContact O-N 2.99Å; D44-K48 WeakPolarHBondContact O-CB 3.48Å; D44-K48 WeakPolarHBondContact O-CD 3.29Å; D44-K48 WeakPolarHBondContact O-CE 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.48Å; D44-K48 PolarHBondContact O-N 3.22Å
45	E	48.7	Very low	54	Low	136 Å²	136	106 Å²	106	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-78.1	-44.2	170.7	-76.7	-164.5	157.7	0	0	112.7	E41 E42 K43 D47 K48 D49	E41-E45 WeakPolarHBondContact O-CG 3.48Å; E41-E45 PolarHBondContact O-N 3.4Å; E42-E45 PolarHBondContact O-N 3.41Å; K43-E45 PolarHBondContact O-N 2.91Å; E45-D47 PolarHBondContact O-N 3.45Å; E45-K48 PolarHBondContact O-N 3.3Å; E45-D49 PolarHBondContact O-N 2.7Å
46	E	48.2	Very low	56.3	Low	140 Å²	140	105.1 Å²	105.1	65%	0.654	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-42.6	175.6	-97	-167.2	156.2	0	0	112.6	E42 K43 D49 N50	E42-E46 PolarHBondContact O-N 3.22Å; K43-E46 PolarHBondContact O-N 3.4Å; E46-D49 PolarHBondContact O-N 3.26Å; E46-N50 PolarHBondContact O-N 2.92Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 2.91Å
47	D	53.5	Low	58.8	Low	108 Å²	108	104.4 Å²	104.4	58%	0.578	50%	0.5	S	S	*	.	H	α-helix	trans	-66.4	-38.1	177.2	-84.9	-16.9	0	0	0	111.5	K43 E45 N50 D51	K43-D47 WeakPolarHBondContact O-CB 3.49Å; K43-D47 PolarHBondContact O-N 3.41Å; E45-D47 PolarHBondContact O-N 3.45Å; D47-N50 PolarHBondContact O-N 3.4Å; D47-D51 PolarHBondContact O-N 3.47Å; D47-D51 VanDerWaalsContact O-N 3.14Å
48	K	53.3	Low	61.3	Low	110 Å²	110	99.7 Å²	99.7	48%	0.478	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-45	174.8	-78.4	168.5	-162.3	147	0	111.8	D44 E45 N50 D51 V52	D44-K48 WeakPolarHBondContact O-CB 3.48Å; D44-K48 WeakPolarHBondContact O-CD 3.29Å; D44-K48 WeakPolarHBondContact O-CE 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.48Å; D44-K48 PolarHBondContact O-N 3.22Å; E45-K48 PolarHBondContact O-N 3.3Å; K48-N50 VanDerWaalsContact C-N 3.3Å; K48-N50 PolarHBondContact O-N 2.94Å; K48-D51 PolarHBondContact O-N 2.98Å; K48-V52 VanDerWaalsContact O-CG2 3.23Å; K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.24Å; K48-V52 VanDerWaalsContact O-N 3.11Å
49	D	56.4	Low	63.9	Low	110 Å²	110	93.8 Å²	93.8	59%	0.588	45%	0.454	S	S	*	.	H	α-helix	trans	-68.2	-30.6	-178.4	-112.3	8.3	0	0	0	112.4	E45 E46 N53	E45-D49 PolarHBondContact O-N 2.7Å; E46-D49 PolarHBondContact O-N 3.26Å; D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-ND2 3.18Å
50	N	59.6	Low	66.6	Low	104 Å²	104	92.4 Å²	92.4	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-65.9	-43.8	171.2	-80.3	-36	0	0	0	112.5	E46 D47 K48 V52 N53 F54	E46-N50 PolarHBondContact O-N 2.92Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 2.91Å; D47-N50 PolarHBondContact O-N 3.4Å; K48-N50 VanDerWaalsContact C-N 3.3Å; K48-N50 PolarHBondContact O-N 2.94Å; N50-V52 VanDerWaalsContact C-N 3.33Å; N50-V52 PolarHBondContact O-N 2.96Å; N50-N53 PolarHBondContact O-N 3.33Å; N50-F54 WeakPolarHBondContact O-CB 3.42Å; N50-F54 PolarHBondContact O-N 3.18Å
51	D	66.6	Low	69	Low	71 Å²	71	90 Å²	90	38%	0.38	44%	0.44	S	S	.	.	H	α-helix	trans	-63.6	-38.3	177	-98.5	-17.6	0	0	0	112.4	D47 K48 F54 I55	D47-D51 PolarHBondContact O-N 3.47Å; D47-D51 VanDerWaalsContact O-N 3.14Å; K48-D51 PolarHBondContact O-N 2.98Å; D51-F54 PolarHBondContact O-N 2.98Å; D51-I55 WeakPolarHBondContact O-CG1 3.3Å; D51-I55 PolarHBondContact O-N 3.12Å
52	V	69.5	Low	71.5	Confident	16 Å²	16	83.6 Å²	83.6	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-46.8	178.3	173.7	0	0	0	0	111.4	K48 N50 F54 I55 Q56	K48-V52 VanDerWaalsContact O-CG2 3.23Å; K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.24Å; K48-V52 VanDerWaalsContact O-N 3.11Å; N50-V52 VanDerWaalsContact C-N 3.33Å; N50-V52 PolarHBondContact O-N 2.96Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 3.01Å; V52-I55 PolarHBondContact O-N 2.99Å; V52-Q56 WeakPolarHBondContact O-CB 3.41Å; V52-Q56 WeakPolarHBondContact O-CG 3.41Å; V52-Q56 PolarHBondContact O-N 3.43Å
53	N	78.9	Confident	74	Confident	80 Å²	80	79 Å²	79	43%	0.428	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-39.2	176.2	-84.1	-47	0	0	0	111.3	D49 N50 Q57	D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-ND2 3.18Å; N50-N53 PolarHBondContact O-N 3.33Å; N53-Q57 WeakPolarHBondContact O-CB 3.31Å; N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.38Å
54	F	85.7	Confident	76.5	Confident	86 Å²	86	79.5 Å²	79.5	38%	0.377	39%	0.391	S	S	.	.	H	α-helix	trans	-62	-51.6	177.5	174.7	-105.3	0	0	0	112.4	N50 D51 V52 Q56 Q57 L58 H132	N50-F54 WeakPolarHBondContact O-CB 3.42Å; N50-F54 PolarHBondContact O-N 3.18Å; D51-F54 PolarHBondContact O-N 2.98Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 3.01Å; F54-Q56 VanDerWaalsContact C-N 3.32Å; F54-Q56 PolarHBondContact O-N 2.99Å; F54-Q57 PolarHBondContact O-N 3.33Å; F54-L58 HydrophobicContact CE1-CD1 3.93Å; F54-L58 HydrophobicContact CE2-CD1 4.04Å; F54-L58 HydrophobicContact CZ-CD1 3.52Å; F54-L58 WeakPolarHBondContact O-CB 3.48Å; F54-L58 PolarHBondContact O-N 3.16Å; F54-H132 AromaticContact CE1-CE1 3.76Å
55	I	86.3	Confident	78.7	Confident	3 Å²	3	81 Å²	81	2%	0.015	39%	0.39	C	S	.	.	H	α-helix	trans	-65.9	-37.5	-178.4	-59.6	167.4	0	0	0	110.7	D51 V52 L58 G59 L74 R88 L90 E131	D51-I55 WeakPolarHBondContact O-CG1 3.3Å; D51-I55 PolarHBondContact O-N 3.12Å; V52-I55 PolarHBondContact O-N 2.99Å; I55-L58 VanDerWaalsContact O-CB 3.3Å; I55-L58 WeakPolarHBondContact O-CB 3.38Å; I55-L58 PolarHBondContact O-N 3.39Å; I55-G59 PolarHBondContact O-N 2.99Å; I55-L74 HydrophobicContact CB-CD1 4.23Å; I55-L74 HydrophobicContact CG2-CD1 3.38Å; I55-R88 HydrophobicContact CD1-CB 3.9Å; I55-R88 WeakPolarHBondContact CD1-O 3.32Å; I55-L90 HydrophobicContact CG2-CD2 3.84Å; I55-L90 HydrophobicContact CG2-CG 4.18Å; I55-E131 HydrophobicContact CD1-CB 3.84Å; I55-E131 HydrophobicContact CD1-CG 3.76Å; I55-E131 HydrophobicContact CG1-CB 4.25Å
56	Q	88.8	Confident	81	Confident	93 Å²	93	74.9 Å²	74.9	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-44.2	174.3	-77.7	-178.1	-5.4	0	0	112.3	V52 F54 L58 G59 I60 L74	V52-Q56 WeakPolarHBondContact O-CB 3.41Å; V52-Q56 WeakPolarHBondContact O-CG 3.41Å; V52-Q56 PolarHBondContact O-N 3.43Å; F54-Q56 VanDerWaalsContact C-N 3.32Å; F54-Q56 PolarHBondContact O-N 2.99Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 2.75Å; Q56-G59 PolarHBondContact O-N 2.87Å; Q56-G59 VanDerWaalsContact O-N 3.16Å; Q56-I60 WeakPolarHBondContact O-CG1 3.1Å; Q56-I60 PolarHBondContact O-N 3.48Å; Q56-L74 HydrophobicContact CG-CD2 4.42Å
57	Q	90.9	Very high	83.2	Confident	126 Å²	126	69.9 Å²	69.9	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-41.2	174.3	-74.2	179.3	17.4	0	0	111.7	N53 F54 G59 I60 E61	N53-Q57 WeakPolarHBondContact O-CB 3.31Å; N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.38Å; F54-Q57 PolarHBondContact O-N 3.33Å; Q57-G59 VanDerWaalsContact C-N 3.28Å; Q57-G59 PolarHBondContact O-N 3.09Å; Q57-I60 PolarHBondContact O-N 3.22Å; Q57-E61 PolarHBondContact O-N 2.61Å
58	L	92.7	Very high	85.2	Confident	24 Å²	24	72.1 Å²	72.1	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-43.1	173.9	-145.2	100.3	0	0	0	111.1	F54 I55 Q56 E61 L62 L90 M110 L112	F54-L58 HydrophobicContact CE1-CD1 3.93Å; F54-L58 HydrophobicContact CE2-CD1 4.04Å; F54-L58 HydrophobicContact CZ-CD1 3.52Å; F54-L58 WeakPolarHBondContact O-CB 3.48Å; F54-L58 PolarHBondContact O-N 3.16Å; I55-L58 VanDerWaalsContact O-CB 3.3Å; I55-L58 WeakPolarHBondContact O-CB 3.38Å; I55-L58 PolarHBondContact O-N 3.39Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 2.75Å; L58-E61 PolarHBondContact O-N 3.16Å; L58-L62 VanDerWaalsContact O-CB 3.32Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 PolarHBondContact O-N 2.99Å; L58-L90 HydrophobicContact CB-CD1 4.25Å; L58-L90 HydrophobicContact CD2-CD1 3.71Å; L58-L90 HydrophobicContact CG-CD1 4.41Å; L58-M110 HydrophobicContact CG-CE 4.07Å; L58-L112 HydrophobicContact CD2-CD1 3.85Å; L58-L112 HydrophobicContact CD2-CD2 3.51Å; L58-L112 HydrophobicContact CD2-CG 4.33Å; L58-L112 HydrophobicContact CG-CD2 4.35Å
59	G	94.2	Very high	87.1	Confident	9 Å²	9	70.7 Å²	70.7	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-41.8	176.6	0	0	0	0	0	113.2	I55 Q56 Q57 L62 Q63	I55-G59 PolarHBondContact O-N 2.99Å; Q56-G59 PolarHBondContact O-N 2.87Å; Q56-G59 VanDerWaalsContact O-N 3.16Å; Q57-G59 VanDerWaalsContact C-N 3.28Å; Q57-G59 PolarHBondContact O-N 3.09Å; G59-L62 PolarHBondContact O-N 2.96Å; G59-Q63 WeakPolarHBondContact O-CB 3.15Å; G59-Q63 PolarHBondContact O-N 3.26Å
60	I	95.3	Very high	89	Confident	96 Å²	96	65.5 Å²	65.5	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-45.3	175.7	-68.2	166	0	0	0	110.8	Q56 Q57 Q63 K64	Q56-I60 WeakPolarHBondContact O-CG1 3.1Å; Q56-I60 PolarHBondContact O-N 3.48Å; Q57-I60 PolarHBondContact O-N 3.22Å; I60-Q63 PolarHBondContact O-N 3.23Å; I60-K64 WeakPolarHBondContact O-CG 3.36Å; I60-K64 PolarHBondContact O-N 3.25Å
61	E	96.1	Very high	90.8	Very high	79 Å²	79	67 Å²	67	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-39	178	-73.9	-56.1	130	0	0	112.3	Q57 L58 K64 R65 M110	Q57-E61 PolarHBondContact O-N 2.61Å; L58-E61 PolarHBondContact O-N 3.16Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-K64 IonicContact OE1-NZ 3.35Å; E61-K64 PolarHBondContact OE1-NZ 3.39Å; E61-R65 WeakPolarHBondContact O-CG 3.45Å; E61-R65 PolarHBondContact O-N 3.46Å; E61-M110 HydrophobicContact CB-CE 3.8Å; E61-M110 HydrophobicContact CB-SD 4.48Å
62	L	96.8	Very high	92.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-45.4	173.4	-177	62.5	0	0	0	110.8	L58 G59 K64 R65 I66 V72 L90 A106 A107 M110 L112 V134	L58-L62 VanDerWaalsContact O-CB 3.32Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 PolarHBondContact O-N 2.99Å; G59-L62 PolarHBondContact O-N 2.96Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.13Å; L62-R65 PolarHBondContact O-N 3.41Å; L62-R65 VanDerWaalsContact O-N 3.13Å; L62-I66 HydrophobicContact CD1-CD1 4Å; L62-I66 HydrophobicContact CD1-CG1 4.26Å; L62-I66 HydrophobicContact CD2-CD1 4.3Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 HydrophobicContact CG-CG1 4.35Å; L62-I66 VanDerWaalsContact O-CG1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.23Å; L62-I66 PolarHBondContact O-N 3.37Å; L62-V72 HydrophobicContact CB-CG2 4.36Å; L62-V72 HydrophobicContact CD2-CG1 4.16Å; L62-V72 HydrophobicContact CD2-CG2 4.08Å; L62-V72 HydrophobicContact CG-CG2 4.04Å; L62-L90 HydrophobicContact CD2-CD1 3.83Å; L62-A106 HydrophobicContact CD1-CB 3.91Å; L62-A107 HydrophobicContact CD1-CB 4.3Å; L62-M110 HydrophobicContact CB-CE 4.46Å; L62-M110 HydrophobicContact CB-SD 3.99Å; L62-M110 HydrophobicContact CD1-SD 4.02Å; L62-L112 HydrophobicContact CD1-CD1 4.36Å; L62-L112 HydrophobicContact CD2-CD1 4.37Å; L62-V134 HydrophobicContact CD2-CG1 4Å; L62-V134 HydrophobicContact CD2-CG2 3.64Å
63	Q	97.5	Very high	93.3	Very high	46 Å²	46	68.1 Å²	68.1	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-57.6	-45	177.1	-174.9	69	72.7	0	0	111.6	G59 I60 R65 I66 G67 P70 K71 V72	G59-Q63 WeakPolarHBondContact O-CB 3.15Å; G59-Q63 PolarHBondContact O-N 3.26Å; I60-Q63 PolarHBondContact O-N 3.23Å; Q63-R65 VanDerWaalsContact C-N 3.26Å; Q63-R65 PolarHBondContact O-N 3.31Å; Q63-I66 PolarHBondContact O-N 3.05Å; Q63-G67 PolarHBondContact NE2-O 2.87Å; Q63-G67 PolarHBondContact O-N 2.96Å; Q63-G67 VanDerWaalsContact O-O 3.08Å; Q63-P70 PolarHBondContact NE2-O 3.36Å; Q63-P70 VanDerWaalsContact NE2-O 3.11Å; Q63-K71 VanDerWaalsContact OE1-CA 3.3Å; Q63-V72 HydrophobicContact CB-CB 4.42Å; Q63-V72 HydrophobicContact CB-CG2 4.06Å
64	K	96.8	Very high	93.8	Very high	139 Å²	139	67.2 Å²	67.2	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-38.8	177.5	-73	173.5	-173.1	169.8	0	112.3	I60 E61 L62	I60-K64 WeakPolarHBondContact O-CG 3.36Å; I60-K64 PolarHBondContact O-N 3.25Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-K64 IonicContact OE1-NZ 3.35Å; E61-K64 PolarHBondContact OE1-NZ 3.39Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.13Å
65	R	96.8	Very high	93.7	Very high	126 Å²	126	65.6 Å²	65.6	48%	0.475	32%	0.322	S	S	.	.	H	α-helix	trans	-77.5	-31.6	-179.6	-67.5	178.9	-175.8	-146.7	3.3	113	E61 L62 Q63 A106 T109	E61-R65 WeakPolarHBondContact O-CG 3.45Å; E61-R65 PolarHBondContact O-N 3.46Å; L62-R65 PolarHBondContact O-N 3.41Å; L62-R65 VanDerWaalsContact O-N 3.13Å; Q63-R65 VanDerWaalsContact C-N 3.26Å; Q63-R65 PolarHBondContact O-N 3.31Å; R65-A106 HydrophobicContact CB-CB 3.69Å; R65-T109 PolarHBondContact NH1-O 2.61Å; R65-T109 PolarHBondContact NH1-OG1 3.11Å
66	I	96.7	Very high	93.4	Very high	6 Å²	6	68.9 Å²	68.9	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-72.9	-42.8	176.7	-70.3	176.8	0	0	0	111.2	L62 Q63 P70 V72 V92 T103 A106	L62-I66 HydrophobicContact CD1-CD1 4Å; L62-I66 HydrophobicContact CD1-CG1 4.26Å; L62-I66 HydrophobicContact CD2-CD1 4.3Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 HydrophobicContact CG-CG1 4.35Å; L62-I66 VanDerWaalsContact O-CG1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.23Å; L62-I66 PolarHBondContact O-N 3.37Å; Q63-I66 PolarHBondContact O-N 3.05Å; I66-P70 HydrophobicContact CG2-CG 4.37Å; I66-V72 HydrophobicContact CD1-CG2 3.84Å; I66-V92 HydrophobicContact CD1-CG1 4.25Å; I66-T103 HydrophobicContact CD1-CG2 3.86Å; I66-A106 HydrophobicContact CG1-CB 3.6Å
67	G	95.4	Very high	92.6	Very high	35 Å²	35	65.2 Å²	65.2	36%	0.361	33%	0.326	S	S	.	.			trans	109.6	-145.4	-173.1	0	0	0	0	0	112	Q63	Q63-G67 PolarHBondContact NE2-O 2.87Å; Q63-G67 PolarHBondContact O-N 2.96Å; Q63-G67 VanDerWaalsContact O-O 3.08Å
68	I	94.3	Very high	91.4	Very high	155 Å²	155	64.4 Å²	64.4	80%	0.795	32%	0.324	S	S	*	.	S	Bend	trans	-79	-38.5	-174.3	-56.2	172.3	0	0	0	111.8
69	L	94.8	Very high	89.9	Confident	80 Å²	80	65.3 Å²	65.3	42%	0.419	33%	0.329	S	S	.	.	S	Bend	trans	-137.8	145.2	-178.8	-68.1	174.6	0	0	0	110.7	K71 R102	L69-K71 HydrophobicContact CD2-CG 4.24Å; L69-R102 PolarHBondContact O-NH2 3.05Å
70	P	96.1	Very high	87.8	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.013	35%	0.346	C	S	.	.	S	Bend	cis	-72.8	160.8	-1.6	30.2	-33.3	0	0	0	111.8	Q63 I66 V92 P94 E99	Q63-P70 PolarHBondContact NE2-O 3.36Å; Q63-P70 VanDerWaalsContact NE2-O 3.11Å; I66-P70 HydrophobicContact CG2-CG 4.37Å; P70-V92 HydrophobicContact CB-CB 4.23Å; P70-V92 HydrophobicContact CG-CB 3.95Å; P70-V92 HydrophobicContact CG-CG1 4.33Å; P70-V92 HydrophobicContact CG-CG2 4.4Å; P70-P94 HydrophobicContact CG-CB 4.49Å; P70-E99 HydrophobicContact CG-CB 4.21Å
71	K	96.3	Very high	85.6	Confident	136 Å²	136	69.6 Å²	69.6	59%	0.591	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-76.2	139.2	173.6	-69.8	-171.8	179	-177.7	0	109.9	Q63 L69	Q63-K71 VanDerWaalsContact OE1-CA 3.3Å; L69-K71 HydrophobicContact CD2-CG 4.24Å
72	V	96.1	Very high	83.5	Confident	26 Å²	26	71.1 Å²	71.1	16%	0.158	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.2	171.2	-175.3	0	0	0	0	108.1	L62 Q63 I66 L90 V92	L62-V72 HydrophobicContact CB-CG2 4.36Å; L62-V72 HydrophobicContact CD2-CG1 4.16Å; L62-V72 HydrophobicContact CD2-CG2 4.08Å; L62-V72 HydrophobicContact CG-CG2 4.04Å; Q63-V72 HydrophobicContact CB-CB 4.42Å; Q63-V72 HydrophobicContact CB-CG2 4.06Å; I66-V72 HydrophobicContact CD1-CG2 3.84Å; V72-L90 HydrophobicContact CG1-CB 4.21Å; V72-L90 HydrophobicContact CG1-CD1 4.49Å; V72-L90 HydrophobicContact CG1-CD2 3.97Å; V72-L90 HydrophobicContact CG1-CG 4.46Å; V72-V92 HydrophobicContact CB-CG1 4.38Å; V72-V92 HydrophobicContact CG2-CG1 3.84Å
73	E	93.2	Very high	81.3	Confident	83 Å²	83	76.1 Å²	76.1	39%	0.388	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.3	179.4	-64.2	175.7	178.9	0	0	109.5	C91 K93	E73-C91 PolarHBondContact N-O 2.75Å; E73-C91 PolarHBondContact O-N 2.93Å; E73-K93 IonicContact OE2-NZ 3.22Å; E73-K93 PolarHBondContact OE2-NZ 2.93Å
74	L	88.5	Confident	79.4	Confident	61 Å²	61	83.2 Å²	83.2	32%	0.319	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.9	171.4	-166.2	75.8	0	0	0	108.5	I55 Q56 R88 L90	I55-L74 HydrophobicContact CB-CD1 4.23Å; I55-L74 HydrophobicContact CG2-CD1 3.38Å; Q56-L74 HydrophobicContact CG-CD2 4.42Å; L74-R88 HydrophobicContact CD1-CB 4.15Å; L74-R88 HydrophobicContact CG-CB 4.32Å; L74-L90 HydrophobicContact CD1-CD2 4.32Å
75	L	84.6	Confident	77.7	Confident	52 Å²	52	82.5 Å²	82.5	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124	175.6	-175.3	67	0	0	0	109	I77 R88 I89 C91 L135	L75-I77 HydrophobicContact CD2-CD1 4.04Å; L75-I77 HydrophobicContact CD2-CG1 4.16Å; L75-I77 HydrophobicContact CG-CD1 4.37Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; L75-R88 WeakPolarHBondContact O-CA 3.23Å; L75-I89 HydrophobicContact CB-CG1 4.12Å; L75-I89 HydrophobicContact CD2-CD1 4.47Å; L75-I89 HydrophobicContact CD2-CG1 4.48Å; L75-I89 PolarHBondContact N-O 2.86Å; L75-I89 PolarHBondContact O-N 3.47Å; L75-C91 HydrophobicContact CB-CB 3.94Å; L75-L135 HydrophobicContact CD2-CD2 3.71Å
76	T	79.6	Confident	76.5	Confident	72 Å²	72	80.7 Å²	80.7	44%	0.442	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.7	174.5	-57.4	0	0	0	0	109.1	F86 R88	T76-F86 HydrophobicContact CG2-CB 3.73Å; T76-F86 HydrophobicContact CG2-CD2 3.96Å; T76-F86 HydrophobicContact CG2-CG 3.95Å; T76-R88 HydrophobicContact CG2-CG 4.31Å
77	I	71.6	Confident	75.4	Confident	17 Å²	17	82 Å²	82	9%	0.087	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.6	-175.5	-58.9	167.8	0	0	0	107.8	L75 F86 I87 I89 I126	L75-I77 HydrophobicContact CD2-CD1 4.04Å; L75-I77 HydrophobicContact CD2-CG1 4.16Å; L75-I77 HydrophobicContact CG-CD1 4.37Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; I77-F86 CarbonylContact O-C 3.51Å; I77-F86 WeakPolarHBondContact O-CA 3.35Å; I77-F86 WeakPolarHBondContact O-CB 3.33Å; I77-I87 PolarHBondContact N-O 3.38Å; I77-I87 PolarHBondContact O-N 3.41Å; I77-I89 HydrophobicContact CD1-CD1 3.36Å; I77-I89 HydrophobicContact CD1-CG1 3.76Å; I77-I126 HydrophobicContact CD1-CD1 3.69Å; I77-I126 HydrophobicContact CD1-CG1 3.97Å; I77-I126 HydrophobicContact CD1-CG2 3.78Å; I77-I126 HydrophobicContact CG1-CD1 4.38Å; I77-I126 HydrophobicContact CG2-CD1 4.12Å; I77-I126 HydrophobicContact CG2-CG2 4.28Å
78	I	67.1	Low	74.7	Confident	108 Å²	108	83.4 Å²	83.4	55%	0.554	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.4	179	-57.8	174.1	0	0	0	108.6	T80 Y123	I78-T80 PolarHBondContact O-N 3.02Å; I78-Y123 PolarHBondContact O-OH 2.82Å
79	L	59.8	Low	74.4	Confident	44 Å²	44	76.1 Å²	76.1	23%	0.23	38%	0.378	C	S	.	.			trans	-81.9	110.7	176.1	-65.2	179.8	0	0	0	109.8	N81 K82 K85 I87	L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 2.92Å; L79-K82 CarbonylContact O-C 3.56Å; L79-K82 PolarHBondContact O-N 3.31Å; L79-K85 WeakPolarHBondContact CB-O 3.39Å; L79-K85 HydrophobicContact CD1-CB 4.24Å; L79-K85 PolarHBondContact N-O 3.08Å; L79-I87 HydrophobicContact CD1-CD1 3.91Å; L79-I87 HydrophobicContact CD1-CG1 3.81Å; L79-I87 HydrophobicContact CD2-CD1 3.8Å; L79-I87 HydrophobicContact CD2-CG1 4.08Å; L79-I87 HydrophobicContact CG-CD1 4.18Å; L79-I87 HydrophobicContact CG-CG1 3.98Å
80	T	49.8	Very low	74.2	Confident	74 Å²	74	72.4 Å²	72.4	45%	0.454	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23	-178.7	50.9	0	0	0	0	113.4	I78 K82 Y123 W585	I78-T80 PolarHBondContact O-N 3.02Å; T80-K82 VanDerWaalsContact C-N 3.29Å; T80-Y123 HydrophobicContact CG2-CD1 4.44Å; T80-Y123 HydrophobicContact CG2-CE1 3.74Å; T80-W585 HydrophobicContact CG2-CH2 4.46Å; T80-W585 HydrophobicContact CG2-CZ2 3.95Å
81	N	48.8	Very low	74.1	Confident	120 Å²	120	72.5 Å²	72.5	64%	0.642	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.7	176	65.9	-14.6	0	0	0	113.6	L79	L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 2.92Å
82	K	53.2	Low	74	Confident	112 Å²	112	66 Å²	66	49%	0.487	33%	0.331	S	S	.	.	S	Bend	trans	-142.5	90.8	177.7	-70	-172.1	-177.6	176.8	0	109.2	L79 T80 K84 K85	L79-K82 CarbonylContact O-C 3.56Å; L79-K82 PolarHBondContact O-N 3.31Å; T80-K82 VanDerWaalsContact C-N 3.29Å; K82-K84 PolarHBondContact O-N 3.48Å; K82-K85 HydrophobicContact CB-CB 4.07Å; K82-K85 HydrophobicContact CB-CD 4.2Å; K82-K85 HydrophobicContact CB-CG 4.2Å; K82-K85 HydrophobicContact CD-CD 4.03Å; K82-K85 WeakPolarHBondContact O-CB 3.43Å; K82-K85 PolarHBondContact O-N 2.88Å; K82-K85 VanDerWaalsContact O-N 3.07Å
83	P	51.3	Low	73.9	Confident	105 Å²	105	68.5 Å²	68.5	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	143.4	-178.8	21	-31.1	0	0	0	111.1	K85	P83-K85 PolarHBondContact O-N 3.42Å
84	K	55.8	Low	74.1	Confident	194 Å²	194	64.6 Å²	64.6	84%	0.843	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	4.1	-174.9	-53.4	-176.9	177.7	-176.3	0	116.4	K82	K82-K84 PolarHBondContact O-N 3.48Å
85	K	62.4	Low	74.5	Confident	124 Å²	124	67.6 Å²	67.6	54%	0.539	33%	0.332	S	S	.	.			trans	-98.1	127.5	168.8	-65.9	-160.3	175.7	-163.4	0	110.8	L79 K82 P83	L79-K85 WeakPolarHBondContact CB-O 3.39Å; L79-K85 HydrophobicContact CD1-CB 4.24Å; L79-K85 PolarHBondContact N-O 3.08Å; K82-K85 HydrophobicContact CB-CB 4.07Å; K82-K85 HydrophobicContact CB-CD 4.2Å; K82-K85 HydrophobicContact CB-CG 4.2Å; K82-K85 HydrophobicContact CD-CD 4.03Å; K82-K85 WeakPolarHBondContact O-CB 3.43Å; K82-K85 PolarHBondContact O-N 2.88Å; K82-K85 VanDerWaalsContact O-N 3.07Å; P83-K85 PolarHBondContact O-N 3.42Å
86	F	70.2	Confident	75	Confident	88 Å²	88	66 Å²	66	39%	0.386	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.3	171.2	51.4	-96.1	0	0	0	109.3	T76 I77 R88	T76-F86 HydrophobicContact CG2-CB 3.73Å; T76-F86 HydrophobicContact CG2-CD2 3.96Å; T76-F86 HydrophobicContact CG2-CG 3.95Å; I77-F86 CarbonylContact O-C 3.51Å; I77-F86 WeakPolarHBondContact O-CA 3.35Å; I77-F86 WeakPolarHBondContact O-CB 3.33Å; F86-R88 HydrophobicContact CD2-CG 4.06Å; F86-R88 HydrophobicContact CE2-CG 4.36Å; F86-R88 VanDerWaalsContact CE2-NE 3.32Å
87	I	75.3	Confident	75.8	Confident	33 Å²	33	65.9 Å²	65.9	17%	0.169	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.4	168.4	-56.5	-179.3	0	0	0	107	I77 L79 I89 E131	I77-I87 PolarHBondContact N-O 3.38Å; I77-I87 PolarHBondContact O-N 3.41Å; L79-I87 HydrophobicContact CD1-CD1 3.91Å; L79-I87 HydrophobicContact CD1-CG1 3.81Å; L79-I87 HydrophobicContact CD2-CD1 3.8Å; L79-I87 HydrophobicContact CD2-CG1 4.08Å; L79-I87 HydrophobicContact CG-CD1 4.18Å; L79-I87 HydrophobicContact CG-CG1 3.98Å; I87-I89 HydrophobicContact CG2-CG2 3.69Å; I87-E131 HydrophobicContact CG2-CG 4.43Å
88	R	80.6	Confident	77	Confident	65 Å²	65	67.9 Å²	67.9	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.3	169.7	-63.2	-178.5	-174.4	-170.4	9.3	108.1	I55 L74 L75 T76 F86	I55-R88 HydrophobicContact CD1-CB 3.9Å; I55-R88 WeakPolarHBondContact CD1-O 3.32Å; L74-R88 HydrophobicContact CD1-CB 4.15Å; L74-R88 HydrophobicContact CG-CB 4.32Å; L75-R88 WeakPolarHBondContact O-CA 3.23Å; T76-R88 HydrophobicContact CG2-CG 4.31Å; F86-R88 HydrophobicContact CD2-CG 4.06Å; F86-R88 HydrophobicContact CE2-CG 4.36Å; F86-R88 VanDerWaalsContact CE2-NE 3.32Å
89	I	86.4	Confident	78.4	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154	177.7	65.1	174.4	0	0	0	110.4	L75 I77 I87 T130 L135	L75-I89 HydrophobicContact CB-CG1 4.12Å; L75-I89 HydrophobicContact CD2-CD1 4.47Å; L75-I89 HydrophobicContact CD2-CG1 4.48Å; L75-I89 PolarHBondContact N-O 2.86Å; L75-I89 PolarHBondContact O-N 3.47Å; I77-I89 HydrophobicContact CD1-CD1 3.36Å; I77-I89 HydrophobicContact CD1-CG1 3.76Å; I87-I89 HydrophobicContact CG2-CG2 3.69Å; I89-T130 WeakPolarHBondContact CG2-O 3.15Å; I89-L135 HydrophobicContact CD1-CB 3.87Å; I89-L135 HydrophobicContact CD1-CD2 4.04Å; I89-L135 HydrophobicContact CD1-CG 4.46Å
90	L	92.3	Very high	80.2	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.5	171.7	-61.9	-179.4	0	0	0	109.1	I55 L58 L62 V72 L74 L112 T133 V134 L135	I55-L90 HydrophobicContact CG2-CD2 3.84Å; I55-L90 HydrophobicContact CG2-CG 4.18Å; L58-L90 HydrophobicContact CB-CD1 4.25Å; L58-L90 HydrophobicContact CD2-CD1 3.71Å; L58-L90 HydrophobicContact CG-CD1 4.41Å; L62-L90 HydrophobicContact CD2-CD1 3.83Å; V72-L90 HydrophobicContact CG1-CB 4.21Å; V72-L90 HydrophobicContact CG1-CD1 4.49Å; V72-L90 HydrophobicContact CG1-CD2 3.97Å; V72-L90 HydrophobicContact CG1-CG 4.46Å; L74-L90 HydrophobicContact CD1-CD2 4.32Å; L90-L112 HydrophobicContact CD1-CD1 4.46Å; L90-T133 PolarHBondContact N-O 2.77Å; L90-V134 HydrophobicContact CB-CG2 4.23Å; L90-V134 HydrophobicContact CD1-CG2 4.33Å; L90-V134 CarbonylContact O-C 3.58Å; L90-V134 WeakPolarHBondContact O-CA 3.1Å; L90-L135 PolarHBondContact O-N 3.41Å
91	C	92.4	Very high	82.5	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141	177.8	-174.9	0	0	0	0	110.3	E73 L75 L135	E73-C91 PolarHBondContact N-O 2.75Å; E73-C91 PolarHBondContact O-N 2.93Å; L75-C91 HydrophobicContact CB-CB 3.94Å; C91-L135 CarbonylContact C-O 3.38Å; C91-L135 VanDerWaalsContact CA-O 3.31Å; C91-L135 WeakPolarHBondContact CA-O 3.28Å; C91-L135 HydrophobicContact CB-CB 4.37Å
92	V	94.9	Very high	84.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145	169.3	-63.3	0	0	0	0	110	I66 P70 V72 P94 T103 L135 I136 D137	I66-V92 HydrophobicContact CD1-CG1 4.25Å; P70-V92 HydrophobicContact CB-CB 4.23Å; P70-V92 HydrophobicContact CG-CB 3.95Å; P70-V92 HydrophobicContact CG-CG1 4.33Å; P70-V92 HydrophobicContact CG-CG2 4.4Å; V72-V92 HydrophobicContact CB-CG1 4.38Å; V72-V92 HydrophobicContact CG2-CG1 3.84Å; V92-P94 VanDerWaalsContact O-CD 3.24Å; V92-P94 WeakPolarHBondContact O-CD 3.4Å; V92-T103 HydrophobicContact CG1-CG2 4.24Å; V92-T103 HydrophobicContact CG2-CG2 3.58Å; V92-L135 PolarHBondContact N-O 2.83Å; V92-I136 HydrophobicContact CG2-CB 4.32Å; V92-I136 HydrophobicContact CG2-CG1 3.82Å; V92-I136 HydrophobicContact CG2-CG2 4.4Å; V92-D137 PolarHBondContact O-N 3.27Å
93	K	95.1	Very high	86.9	Confident	78 Å²	78	52.6 Å²	52.6	34%	0.339	25%	0.246	S	C	.	.			trans	-115	78.7	177.9	-71.8	166.3	-176	152.9	0	110.3	E73 D137	E73-K93 IonicContact OE2-NZ 3.22Å; E73-K93 PolarHBondContact OE2-NZ 2.93Å; K93-D137 WeakPolarHBondContact CE-OD2 3.42Å; K93-D137 HydrophobicContact CG-CB 3.8Å
94	P	96.4	Very high	89	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.			trans	-64.8	145.5	-179.2	28.7	-38.5	0	0	0	112.5	P70 V92 E99 I100 I136 D137 L141	P70-P94 HydrophobicContact CG-CB 4.49Å; V92-P94 VanDerWaalsContact O-CD 3.24Å; V92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-E99 WeakPolarHBondContact CA-OE2 3.4Å; P94-E99 HydrophobicContact CB-CB 3.69Å; P94-I100 HydrophobicContact CB-CG1 3.78Å; P94-I100 HydrophobicContact CG-CD1 4.4Å; P94-I100 HydrophobicContact CG-CG1 3.62Å; P94-I136 HydrophobicContact CG-CG2 3.65Å; P94-D137 WeakPolarHBondContact CD-O 3.41Å; P94-L141 HydrophobicContact CB-CD2 4.41Å; P94-L141 HydrophobicContact CG-CD2 4.37Å
95	K	96.2	Very high	91	Very high	124 Å²	124	44.1 Å²	44.1	54%	0.539	20%	0.196	S	C	.	.	S	Bend	trans	-97.7	-14.6	172.5	-71.6	-166.4	176.5	-170.5	0	113.6	E99 S142	K95-E99 PolarHBondContact N-OE2 2.86Å; K95-S142 WeakPolarHBondContact CB-OG 3.32Å; K95-S142 PolarHBondContact O-N 3.46Å; K95-S142 PolarHBondContact O-OG 3.28Å
96	S	96.1	Very high	92.7	Very high	19 Å²	19	38.5 Å²	38.5	13%	0.133	17%	0.173	C	C	.	.	S	Bend	trans	-148.9	165.1	179.9	65.7	0	0	0	0	114.3	S98 E99 I100 D143	S96-S98 PolarHBondContact O-N 3.46Å; S96-S98 PolarHBondContact OG-N 3.38Å; S96-S98 PolarHBondContact OG-OG 2.98Å; S96-E99 WeakPolarHBondContact O-CB 3.34Å; S96-E99 PolarHBondContact O-N 3.49Å; S96-E99 VanDerWaalsContact O-N 3.08Å; S96-E99 PolarHBondContact OG-N 3.48Å; S96-I100 PolarHBondContact O-N 2.81Å; S96-I100 VanDerWaalsContact O-N 3.11Å; S96-D143 VanDerWaalsContact C-OD2 3.31Å; S96-D143 WeakPolarHBondContact CA-OD2 3.24Å; S96-D143 VanDerWaalsContact CB-OD1 3.26Å; S96-D143 WeakPolarHBondContact CB-OD1 3.31Å; S96-D143 WeakPolarHBondContact CB-OD2 3.47Å
97	Y	96.2	Very high	93.9	Very high	69 Å²	69	34.3 Å²	34.3	27%	0.271	16%	0.155	S	C	.	.	H	α-helix	trans	-49.8	-42.5	166.8	161.4	-112.8	0	0	0	112.4	E99 I100 S101 D143 V232 G236 L238	Y97-E99 PolarHBondContact O-N 2.9Å; Y97-I100 PolarHBondContact O-N 2.81Å; Y97-S101 WeakPolarHBondContact O-CB 3.35Å; Y97-S101 PolarHBondContact O-N 2.85Å; Y97-D143 PolarHBondContact N-OD2 2.91Å; Y97-V232 HydrophobicContact CD2-CG2 3.85Å; Y97-V232 HydrophobicContact CE2-CG1 4.11Å; Y97-V232 HydrophobicContact CE2-CG2 3.91Å; Y97-G236 PolarHBondContact OH-O 3.19Å; Y97-L238 HydrophobicContact CD2-CB 4.41Å; Y97-L238 HydrophobicContact CD2-CD1 4.5Å; Y97-L238 HydrophobicContact CE2-CB 3.7Å; Y97-L238 HydrophobicContact CE2-CD1 4.45Å; Y97-L238 PolarHBondContact OH-N 3.36Å
98	S	96.3	Very high	94.8	Very high	59 Å²	59	38.2 Å²	38.2	41%	0.413	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-35.5	-178.8	74.6	0	0	0	0	111.8	S96 R102	S96-S98 PolarHBondContact O-N 3.46Å; S96-S98 PolarHBondContact OG-N 3.38Å; S96-S98 PolarHBondContact OG-OG 2.98Å; S98-R102 WeakPolarHBondContact O-CB 3.36Å; S98-R102 WeakPolarHBondContact O-CG 3.36Å; S98-R102 PolarHBondContact O-N 3.25Å
99	E	97.3	Very high	95.5	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-71.9	-40.7	176.4	-76.6	-173.4	-174.6	0	0	112.3	P70 P94 K95 S96 Y97 T103	P70-E99 HydrophobicContact CG-CB 4.21Å; P94-E99 WeakPolarHBondContact CA-OE2 3.4Å; P94-E99 HydrophobicContact CB-CB 3.69Å; K95-E99 PolarHBondContact N-OE2 2.86Å; S96-E99 WeakPolarHBondContact O-CB 3.34Å; S96-E99 PolarHBondContact O-N 3.49Å; S96-E99 VanDerWaalsContact O-N 3.08Å; S96-E99 PolarHBondContact OG-N 3.48Å; Y97-E99 PolarHBondContact O-N 2.9Å; E99-T103 WeakPolarHBondContact O-CB 3.35Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 3.14Å
100	I	97.2	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-52	171.1	-64.4	167.9	0	0	0	110	P94 S96 Y97 R102 T103 I104 I136 L141 V232 V259 Y261	P94-I100 HydrophobicContact CB-CG1 3.78Å; P94-I100 HydrophobicContact CG-CD1 4.4Å; P94-I100 HydrophobicContact CG-CG1 3.62Å; S96-I100 PolarHBondContact O-N 2.81Å; S96-I100 VanDerWaalsContact O-N 3.11Å; Y97-I100 PolarHBondContact O-N 2.81Å; I100-R102 PolarHBondContact O-N 3.31Å; I100-T103 WeakPolarHBondContact O-CB 3.49Å; I100-T103 PolarHBondContact O-N 3.11Å; I100-I104 HydrophobicContact CG2-CD1 3.61Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.34Å; I100-I136 HydrophobicContact CG1-CG2 4.27Å; I100-I136 HydrophobicContact CG2-CD1 4.47Å; I100-L141 HydrophobicContact CD1-CD1 4.26Å; I100-L141 HydrophobicContact CD1-CD2 3.85Å; I100-L141 HydrophobicContact CG1-CD2 4.47Å; I100-V232 HydrophobicContact CG2-CB 4.09Å; I100-V232 HydrophobicContact CG2-CG1 4.21Å; I100-V232 HydrophobicContact CG2-CG2 3.91Å; I100-V259 HydrophobicContact CD1-CG1 4.44Å; I100-V259 HydrophobicContact CG2-CB 4.16Å; I100-V259 HydrophobicContact CG2-CG1 4.15Å; I100-V259 HydrophobicContact CG2-CG2 4.33Å; I100-Y261 HydrophobicContact CD1-CD2 4.04Å
101	S	97.2	Very high	96	Very high	9 Å²	9	50 Å²	50	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-47.1	-178.4	178.7	0	0	0	0	112.3	Y97 T103 I104 R105 G236	Y97-S101 WeakPolarHBondContact O-CB 3.35Å; Y97-S101 PolarHBondContact O-N 2.85Å; S101-T103 PolarHBondContact O-N 2.76Å; S101-I104 PolarHBondContact O-N 2.93Å; S101-R105 WeakPolarHBondContact O-CG 3.26Å; S101-R105 PolarHBondContact O-N 2.8Å; S101-G236 VanDerWaalsContact CB-O 3.29Å; S101-G236 WeakPolarHBondContact CB-O 3.27Å; S101-G236 PolarHBondContact OG-O 3.06Å
102	R	97.1	Very high	95.9	Very high	110 Å²	110	50.8 Å²	50.8	42%	0.415	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-44.3	175.9	-75.9	-167.2	-57.7	-144.3	3.1	112.1	L69 S98 I100 I104 R105 A106	L69-R102 PolarHBondContact O-NH2 3.05Å; S98-R102 WeakPolarHBondContact O-CB 3.36Å; S98-R102 WeakPolarHBondContact O-CG 3.36Å; S98-R102 PolarHBondContact O-N 3.25Å; I100-R102 PolarHBondContact O-N 3.31Å; R102-I104 PolarHBondContact O-N 3.42Å; R102-R105 PolarHBondContact O-N 3.01Å; R102-A106 VanDerWaalsContact O-CB 3.31Å; R102-A106 WeakPolarHBondContact O-CB 3.44Å; R102-A106 PolarHBondContact O-N 2.82Å
103	T	97.6	Very high	95.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.1	176.9	-55	0	0	0	0	110.9	I66 V92 E99 I100 S101 R105 A106 A107 V134 I136	I66-T103 HydrophobicContact CD1-CG2 3.86Å; V92-T103 HydrophobicContact CG1-CG2 4.24Å; V92-T103 HydrophobicContact CG2-CG2 3.58Å; E99-T103 WeakPolarHBondContact O-CB 3.35Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 3.14Å; I100-T103 WeakPolarHBondContact O-CB 3.49Å; I100-T103 PolarHBondContact O-N 3.11Å; S101-T103 PolarHBondContact O-N 2.76Å; T103-R105 PolarHBondContact O-N 2.94Å; T103-A106 PolarHBondContact O-N 2.85Å; T103-A107 VanDerWaalsContact O-CB 3.32Å; T103-A107 WeakPolarHBondContact O-CB 3.45Å; T103-A107 PolarHBondContact O-N 2.78Å; T103-V134 HydrophobicContact CG2-CG1 4.24Å; T103-I136 HydrophobicContact CG2-CD1 4.03Å; T103-I136 HydrophobicContact CG2-CG1 4.29Å
104	I	97	Very high	95.5	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-46.3	179.8	-68.5	166.9	0	0	0	111.7	I100 S101 R102 A106 A107 R108 I114 I136 V232 N233 V259	I100-I104 HydrophobicContact CG2-CD1 3.61Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.34Å; S101-I104 PolarHBondContact O-N 2.93Å; R102-I104 PolarHBondContact O-N 3.42Å; I104-A106 VanDerWaalsContact C-N 3.35Å; I104-A106 PolarHBondContact O-N 2.96Å; I104-A107 PolarHBondContact O-N 3.34Å; I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 2.9Å; I104-I114 VanDerWaalsContact CA-CD1 3.48Å; I104-I114 HydrophobicContact CB-CD1 3.91Å; I104-I114 HydrophobicContact CG1-CD1 3.51Å; I104-I114 HydrophobicContact CG2-CD1 4.18Å; I104-I136 HydrophobicContact CG1-CD1 3.96Å; I104-V232 HydrophobicContact CD1-CB 3.77Å; I104-V232 HydrophobicContact CD1-CG1 3.44Å; I104-V232 VanDerWaalsContact CD1-CG1 3.44Å; I104-N233 WeakPolarHBondContact CG2-O 3.29Å; I104-V259 HydrophobicContact CD1-CB 4.47Å; I104-V259 HydrophobicContact CD1-CG2 3.98Å
105	R	97	Very high	95.1	Very high	114 Å²	114	55.2 Å²	55.2	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178	-71.5	174.5	-179.6	-177.7	4.7	111.4	S101 R102 T103 R108 T109 Y235 D237	S101-R105 WeakPolarHBondContact O-CG 3.26Å; S101-R105 PolarHBondContact O-N 2.8Å; R102-R105 PolarHBondContact O-N 3.01Å; T103-R105 PolarHBondContact O-N 2.94Å; R105-R108 PolarHBondContact O-N 3.43Å; R105-T109 WeakPolarHBondContact O-CG2 3.29Å; R105-T109 PolarHBondContact O-N 3.49Å; R105-Y235 VanDerWaalsContact CG-O 3.26Å; R105-Y235 WeakPolarHBondContact CG-O 3.37Å; R105-Y235 PolarHBondContact NE-O 2.89Å; R105-D237 IonicContact NH2-OD1 2.82Å; R105-D237 PolarHBondContact NH2-OD1 2.88Å
106	A	97.2	Very high	94.7	Very high	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-52.9	177.4	0	0	0	0	0	111.6	L62 R65 I66 R102 T103 I104 R108 T109 M110	L62-A106 HydrophobicContact CD1-CB 3.91Å; R65-A106 HydrophobicContact CB-CB 3.69Å; I66-A106 HydrophobicContact CG1-CB 3.6Å; R102-A106 VanDerWaalsContact O-CB 3.31Å; R102-A106 WeakPolarHBondContact O-CB 3.44Å; R102-A106 PolarHBondContact O-N 2.82Å; T103-A106 PolarHBondContact O-N 2.85Å; I104-A106 VanDerWaalsContact C-N 3.35Å; I104-A106 PolarHBondContact O-N 2.96Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 2.99Å; A106-T109 PolarHBondContact O-N 2.84Å; A106-T109 VanDerWaalsContact O-N 3.09Å; A106-T109 PolarHBondContact O-OG1 3.04Å; A106-M110 PolarHBondContact O-N 3.17Å
107	A	95.8	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-41.2	177.9	0	0	0	0	0	112.4	L62 T103 I104 T109 M110 K111 L112 I114 V134	L62-A107 HydrophobicContact CD1-CB 4.3Å; T103-A107 VanDerWaalsContact O-CB 3.32Å; T103-A107 WeakPolarHBondContact O-CB 3.45Å; T103-A107 PolarHBondContact O-N 2.78Å; I104-A107 PolarHBondContact O-N 3.34Å; A107-T109 VanDerWaalsContact C-N 3.32Å; A107-T109 PolarHBondContact O-N 3.19Å; A107-M110 CarbonylContact O-C 3.52Å; A107-M110 WeakPolarHBondContact O-CA 3.41Å; A107-M110 PolarHBondContact O-N 3.23Å; A107-K111 PolarHBondContact O-N 3.5Å; A107-L112 HydrophobicContact CB-CB 4.16Å; A107-L112 PolarHBondContact O-N 2.83Å; A107-I114 HydrophobicContact CB-CD1 3.63Å; A107-I114 HydrophobicContact CB-CG1 3.99Å; A107-V134 HydrophobicContact CB-CG2 4.43Å
108	R	95.1	Very high	93.4	Very high	114 Å²	114	48.5 Å²	48.5	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-58.4	-43.4	176	-176.7	-177.9	70.2	171.7	5.9	112.2	I104 R105 A106 M110 K111 C234	I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 2.9Å; R105-R108 PolarHBondContact O-N 3.43Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 2.99Å; R108-M110 PolarHBondContact O-N 2.87Å; R108-M110 VanDerWaalsContact O-N 3.16Å; R108-K111 PolarHBondContact O-N 2.83Å; R108-C234 WeakPolarHBondContact CD-O 3.47Å
109	T	95.4	Very high	92.3	Very high	84 Å²	84	49.1 Å²	49.1	52%	0.515	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-14.8	178.2	62.1	0	0	0	0	113.3	R65 R105 A106 A107	R65-T109 PolarHBondContact NH1-O 2.61Å; R65-T109 PolarHBondContact NH1-OG1 3.11Å; R105-T109 WeakPolarHBondContact O-CG2 3.29Å; R105-T109 PolarHBondContact O-N 3.49Å; A106-T109 PolarHBondContact O-N 2.84Å; A106-T109 VanDerWaalsContact O-N 3.09Å; A106-T109 PolarHBondContact O-OG1 3.04Å; A107-T109 VanDerWaalsContact C-N 3.32Å; A107-T109 PolarHBondContact O-N 3.19Å
110	M	94.3	Very high	90.8	Very high	39 Å²	39	52.2 Å²	52.2	19%	0.192	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	1.4	174.2	-64.7	178	69.4	0	0	112.6	L58 E61 L62 A106 A107 R108 L112	L58-M110 HydrophobicContact CG-CE 4.07Å; E61-M110 HydrophobicContact CB-CE 3.8Å; E61-M110 HydrophobicContact CB-SD 4.48Å; L62-M110 HydrophobicContact CB-CE 4.46Å; L62-M110 HydrophobicContact CB-SD 3.99Å; L62-M110 HydrophobicContact CD1-SD 4.02Å; A106-M110 PolarHBondContact O-N 3.17Å; A107-M110 CarbonylContact O-C 3.52Å; A107-M110 WeakPolarHBondContact O-CA 3.41Å; A107-M110 PolarHBondContact O-N 3.23Å; R108-M110 PolarHBondContact O-N 2.87Å; R108-M110 VanDerWaalsContact O-N 3.16Å; M110-L112 HydrophobicContact CB-CD1 4.02Å; M110-L112 HydrophobicContact CB-CD2 4.42Å; M110-L112 HydrophobicContact CB-CG 3.75Å; M110-L112 HydrophobicContact CE-CD1 4.24Å; M110-L112 PolarHBondContact O-N 3.07Å; M110-L112 HydrophobicContact SD-CD1 4.29Å
111	K	93.2	Very high	88.6	Confident	194 Å²	194	52.7 Å²	52.7	84%	0.843	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	33.1	-174.8	-56.3	-179.6	179	178.4	0	113.8	A107 R108	A107-K111 PolarHBondContact O-N 3.5Å; R108-K111 PolarHBondContact O-N 2.83Å
112	L	92.3	Very high	86.2	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.11	26%	0.259	C	S	.	.			trans	-82	147.3	176	-55.1	179	0	0	0	110.8	L58 L62 L90 A107 M110 H132 V134	L58-L112 HydrophobicContact CD2-CD1 3.85Å; L58-L112 HydrophobicContact CD2-CD2 3.51Å; L58-L112 HydrophobicContact CD2-CG 4.33Å; L58-L112 HydrophobicContact CG-CD2 4.35Å; L62-L112 HydrophobicContact CD1-CD1 4.36Å; L62-L112 HydrophobicContact CD2-CD1 4.37Å; L90-L112 HydrophobicContact CD1-CD1 4.46Å; A107-L112 HydrophobicContact CB-CB 4.16Å; A107-L112 PolarHBondContact O-N 2.83Å; M110-L112 HydrophobicContact CB-CD1 4.02Å; M110-L112 HydrophobicContact CB-CD2 4.42Å; M110-L112 HydrophobicContact CB-CG 3.75Å; M110-L112 HydrophobicContact CE-CD1 4.24Å; M110-L112 PolarHBondContact O-N 3.07Å; M110-L112 HydrophobicContact SD-CD1 4.29Å; L112-H132 HydrophobicContact CD2-CB 4.46Å; L112-V134 HydrophobicContact CB-CG2 3.98Å; L112-V134 HydrophobicContact CD1-CG2 3.65Å; L112-V134 HydrophobicContact CG-CG2 4.45Å
113	M	90.5	Very high	83.8	Confident	81 Å²	81	52.1 Å²	52.1	40%	0.399	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	147.9	171.3	-72.7	-177.6	59	0	0	109.9	H132 T133 V134	M113-H132 PolarHBondContact N-O 2.85Å; M113-T133 CarbonylContact O-C 3.5Å; M113-T133 WeakPolarHBondContact O-CA 3.41Å; M113-V134 PolarHBondContact O-N 3.26Å
114	I	90.5	Very high	81.2	Confident	40 Å²	40	55.7 Å²	55.7	21%	0.205	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.9	174.6	-70.1	-169.9	0	0	0	110	I104 A107 V134 I136 V259	I104-I114 VanDerWaalsContact CA-CD1 3.48Å; I104-I114 HydrophobicContact CB-CD1 3.91Å; I104-I114 HydrophobicContact CG1-CD1 3.51Å; I104-I114 HydrophobicContact CG2-CD1 4.18Å; A107-I114 HydrophobicContact CB-CD1 3.63Å; A107-I114 HydrophobicContact CB-CG1 3.99Å; I114-V134 WeakPolarHBondContact CA-O 3.15Å; I114-V134 HydrophobicContact CG1-CB 4.45Å; I114-I136 HydrophobicContact CD1-CD1 4.17Å; I114-I136 HydrophobicContact CG2-CD1 3.68Å; I114-I136 HydrophobicContact CG2-CG1 4.15Å; I114-V259 HydrophobicContact CG2-CG2 3.97Å
115	R	88.2	Confident	78.7	Confident	50 Å²	50	58 Å²	58	19%	0.189	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.1	167.2	-70.8	-61.7	-158.1	-104.7	5.3	109	T133 V134 L135 I136	R115-T133 HydrophobicContact CB-CG2 4.05Å; R115-T133 HydrophobicContact CG-CG2 3.81Å; R115-V134 PolarHBondContact N-O 3.39Å; R115-L135 HydrophobicContact CB-CD1 4.14Å; R115-L135 CarbonylContact O-C 3.58Å; R115-L135 WeakPolarHBondContact O-CA 3.4Å; R115-I136 PolarHBondContact O-N 2.77Å
116	A	87.6	Confident	76.5	Confident	46 Å²	46	54 Å²	54	38%	0.38	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.5	172.1	0	0	0	0	0	110.2	I136 V259	A116-I136 CarbonylContact C-O 3.33Å; A116-I136 VanDerWaalsContact CA-O 3.24Å; A116-I136 WeakPolarHBondContact CA-O 3.5Å; A116-V259 HydrophobicContact CB-CB 4.38Å; A116-V259 HydrophobicContact CB-CG1 3.86Å; A116-V259 HydrophobicContact CB-CG2 4.12Å
117	C	84.4	Confident	74.2	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.081	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.2	168.3	63.6	0	0	0	0	110.9	L120 L135 I136 C138	C117-L120 HydrophobicContact CB-CD2 3.7Å; C117-L120 HydrophobicContact CB-CG 4.48Å; C117-L135 HydrophobicContact CB-CD1 3.97Å; C117-L135 HydrophobicContact CB-CD2 4.48Å; C117-L135 HydrophobicContact CB-CG 4.43Å; C117-L135 VanDerWaalsContact SG-CD2 3.58Å; C117-I136 PolarHBondContact N-O 2.95Å; C117-C138 PolarHBondContact O-N 2.74Å
118	G	80.5	Confident	72.2	Confident	14 Å²	14	66.2 Å²	66.2	14%	0.144	33%	0.331	C	S	.	.	S	Bend	trans	-95.5	-140.3	162	0	0	0	0	0	109.6	L120 V139	G118-L120 PolarHBondContact O-N 3.03Å; G118-V139 VanDerWaalsContact O-CG2 3.31Å; G118-V139 WeakPolarHBondContact O-CG2 3.39Å
119	H	73.9	Confident	70.6	Confident	72 Å²	72	61.3 Å²	61.3	33%	0.333	32%	0.316	S	S	.	.	S	Bend	trans	-59.6	122.6	169	-119.1	57.7	0	0	0	109	S121 Q196	H119-S121 PolarHBondContact O-N 3.11Å; H119-S121 PolarHBondContact O-OG 3.18Å; H119-Q196 WeakPolarHBondContact CB-O 3.37Å
120	L	64.2	Low	69.6	Low	82 Å²	82	60.3 Å²	60.3	43%	0.429	31%	0.31	S	S	.	.	S	Bend	trans	-74.8	52.9	-176.5	-69.9	167.8	0	0	0	111.7	C117 G118 I126	C117-L120 HydrophobicContact CB-CD2 3.7Å; C117-L120 HydrophobicContact CB-CG 4.48Å; G118-L120 PolarHBondContact O-N 3.03Å; L120-I126 HydrophobicContact CD2-CD1 4.24Å
121	S	51.6	Low	68.7	Low	11 Å²	11	61.5 Å²	61.5	8%	0.077	32%	0.315	C	S	.	.			trans	-81.8	-26.5	179.9	59.2	0	0	0	0	113.5	H119 D197	H119-S121 PolarHBondContact O-N 3.11Å; H119-S121 PolarHBondContact O-OG 3.18Å; S121-D197 WeakPolarHBondContact CB-OD1 3.31Å; S121-D197 PolarHBondContact OG-OD1 3.28Å; S121-D197 PolarHBondContact OG-OD2 3.45Å
122	S	47.1	Very low	68.3	Low	26 Å²	26	56.6 Å²	56.6	18%	0.182	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-111.3	117.9	-176.1	65.7	0	0	0	0	111.1	N124 S125	S122-N124 PolarHBondContact O-N 2.74Å; S122-S125 PolarHBondContact O-N 2.83Å; S122-S125 PolarHBondContact O-OG 3.08Å
123	Y	45.8	Very low	68.1	Low	81 Å²	81	55.7 Å²	55.7	32%	0.318	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-66.5	-18.5	-177	-118.3	-95.8	0	0	0	113.6	I78 T80 S125 W585	I78-Y123 PolarHBondContact O-OH 2.82Å; T80-Y123 HydrophobicContact CG2-CD1 4.44Å; T80-Y123 HydrophobicContact CG2-CE1 3.74Å; Y123-S125 PolarHBondContact O-N 3.41Å; Y123-W585 HydrophobicContact CD2-CB 4.03Å; Y123-W585 AromaticContact CD2-CD1 3.13Å; Y123-W585 AromaticContact CD2-CG 3.65Å; Y123-W585 HydrophobicContact CD2-CG 3.65Å; Y123-W585 AromaticContact CD2-NE1 3.73Å; Y123-W585 HydrophobicContact CE2-CB 4.05Å; Y123-W585 AromaticContact CE2-CD1 3.63Å; Y123-W585 HydrophobicContact CE2-CD2 4.32Å; Y123-W585 AromaticContact CE2-CG 3.73Å; Y123-W585 HydrophobicContact CE2-CG 3.73Å; Y123-W585 AromaticContact CG-CD1 3.79Å
124	N	44.1	Very low	68.1	Low	74 Å²	74	51.8 Å²	51.8	40%	0.396	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.2	-18.9	179.2	-75.3	-9.1	0	0	0	113.5	S122 I126 L127 W581	S122-N124 PolarHBondContact O-N 2.74Å; N124-I126 VanDerWaalsContact C-N 3.31Å; N124-I126 PolarHBondContact O-N 3.42Å; N124-L127 HydrophobicContact CB-CD1 3.89Å; N124-L127 WeakPolarHBondContact O-CB 3.4Å; N124-L127 WeakPolarHBondContact O-CD1 3.45Å; N124-L127 WeakPolarHBondContact O-CG 3.42Å; N124-L127 PolarHBondContact O-N 3.43Å; N124-W581 PolarHBondContact ND2-O 3.08Å
125	S	44.7	Very low	68.2	Low	56 Å²	56	50.2 Å²	50.2	39%	0.392	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-75.4	-14.9	-168.5	55.6	0	0	0	0	114.8	S122 Y123	S122-S125 PolarHBondContact O-N 2.83Å; S122-S125 PolarHBondContact O-OG 3.08Å; Y123-S125 PolarHBondContact O-N 3.41Å
126	I	50.2	Low	68.4	Low	32 Å²	32	47.8 Å²	47.8	16%	0.164	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-98.3	4.7	175.3	-65.7	139.5	0	0	0	112.4	I77 L120 N124 Y128 G129	I77-I126 HydrophobicContact CD1-CD1 3.69Å; I77-I126 HydrophobicContact CD1-CG1 3.97Å; I77-I126 HydrophobicContact CD1-CG2 3.78Å; I77-I126 HydrophobicContact CG1-CD1 4.38Å; I77-I126 HydrophobicContact CG2-CD1 4.12Å; I77-I126 HydrophobicContact CG2-CG2 4.28Å; L120-I126 HydrophobicContact CD2-CD1 4.24Å; N124-I126 VanDerWaalsContact C-N 3.31Å; N124-I126 PolarHBondContact O-N 3.42Å; I126-Y128 PolarHBondContact O-N 3.13Å; I126-G129 PolarHBondContact O-N 2.98Å
127	L	49.3	Very low	68.6	Low	112 Å²	112	46.5 Å²	46.5	59%	0.586	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-6.6	-177	-83.5	163.4	0	0	0	115.8	N124	N124-L127 HydrophobicContact CB-CD1 3.89Å; N124-L127 WeakPolarHBondContact O-CB 3.4Å; N124-L127 WeakPolarHBondContact O-CD1 3.45Å; N124-L127 WeakPolarHBondContact O-CG 3.42Å; N124-L127 PolarHBondContact O-N 3.43Å
128	Y	53.4	Low	68.9	Low	149 Å²	149	46.1 Å²	46.1	58%	0.584	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	12.3	174.9	-51.8	-74.4	0	0	0	114.4	I126 T130	I126-Y128 PolarHBondContact O-N 3.13Å; Y128-T130 PolarHBondContact O-N 3.46Å
129	G	62.2	Low	69.4	Low	12 Å²	12	47.1 Å²	47.1	12%	0.124	24%	0.241	C	C	.	.			trans	-71.2	120.8	173.1	0	0	0	0	0	109.8	I126	I126-G129 PolarHBondContact O-N 2.98Å
130	T	72.8	Confident	70.1	Confident	62 Å²	62	47.9 Å²	47.9	38%	0.38	25%	0.248	S	C	.	.			trans	-111.1	172.6	165.9	64.7	0	0	0	0	107.9	I89 Y128 H132 T133	I89-T130 WeakPolarHBondContact CG2-O 3.15Å; Y128-T130 PolarHBondContact O-N 3.46Å; T130-H132 PolarHBondContact O-N 2.7Å; T130-H132 VanDerWaalsContact O-N 3.08Å; T130-H132 PolarHBondContact OG1-N 3.25Å; T130-T133 PolarHBondContact N-OG1 2.81Å; T130-T133 VanDerWaalsContact O-CB 3.23Å; T130-T133 WeakPolarHBondContact O-CB 3.33Å; T130-T133 PolarHBondContact O-N 3.3Å; T130-T133 PolarHBondContact O-OG1 3.35Å; T130-T133 PolarHBondContact OG1-OG1 3.49Å
131	E	76.1	Confident	71.6	Confident	65 Å²	65	44.2 Å²	44.2	30%	0.304	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.1	175.1	-64.9	164.1	-176.3	0	0	112.8	I55 I87 T133	I55-E131 HydrophobicContact CD1-CB 3.84Å; I55-E131 HydrophobicContact CD1-CG 3.76Å; I55-E131 HydrophobicContact CG1-CB 4.25Å; I87-E131 HydrophobicContact CG2-CG 4.43Å; E131-T133 VanDerWaalsContact C-N 3.35Å
132	H	84.6	Confident	73.6	Confident	90 Å²	90	47.3 Å²	47.3	42%	0.417	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9	173.8	-53.7	-48.4	0	0	0	113.9	F54 L112 M113 T130	F54-H132 AromaticContact CE1-CE1 3.76Å; L112-H132 HydrophobicContact CD2-CB 4.46Å; M113-H132 PolarHBondContact N-O 2.85Å; T130-H132 PolarHBondContact O-N 2.7Å; T130-H132 VanDerWaalsContact O-N 3.08Å; T130-H132 PolarHBondContact OG1-N 3.25Å
133	T	88.2	Confident	75.8	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131	177.6	-59.2	0	0	0	0	110.7	L90 M113 R115 T130 E131	L90-T133 PolarHBondContact N-O 2.77Å; M113-T133 CarbonylContact O-C 3.5Å; M113-T133 WeakPolarHBondContact O-CA 3.41Å; R115-T133 HydrophobicContact CB-CG2 4.05Å; R115-T133 HydrophobicContact CG-CG2 3.81Å; T130-T133 PolarHBondContact N-OG1 2.81Å; T130-T133 VanDerWaalsContact O-CB 3.23Å; T130-T133 WeakPolarHBondContact O-CB 3.33Å; T130-T133 PolarHBondContact O-N 3.3Å; T130-T133 PolarHBondContact O-OG1 3.35Å; T130-T133 PolarHBondContact OG1-OG1 3.49Å; E131-T133 VanDerWaalsContact C-N 3.35Å
134	V	91.6	Very high	78	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.5	166.5	-176.6	0	0	0	0	108.3	L62 L90 T103 A107 L112 M113 I114 R115	L62-V134 HydrophobicContact CD2-CG1 4Å; L62-V134 HydrophobicContact CD2-CG2 3.64Å; L90-V134 HydrophobicContact CB-CG2 4.23Å; L90-V134 HydrophobicContact CD1-CG2 4.33Å; L90-V134 CarbonylContact O-C 3.58Å; L90-V134 WeakPolarHBondContact O-CA 3.1Å; T103-V134 HydrophobicContact CG2-CG1 4.24Å; A107-V134 HydrophobicContact CB-CG2 4.43Å; L112-V134 HydrophobicContact CB-CG2 3.98Å; L112-V134 HydrophobicContact CD1-CG2 3.65Å; L112-V134 HydrophobicContact CG-CG2 4.45Å; M113-V134 PolarHBondContact O-N 3.26Å; I114-V134 WeakPolarHBondContact CA-O 3.15Å; I114-V134 HydrophobicContact CG1-CB 4.45Å; R115-V134 PolarHBondContact N-O 3.39Å
135	L	91.3	Very high	80.4	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.6	172.8	-168.5	66.7	0	0	0	110	L75 I89 L90 C91 V92 R115 C117	L75-L135 HydrophobicContact CD2-CD2 3.71Å; I89-L135 HydrophobicContact CD1-CB 3.87Å; I89-L135 HydrophobicContact CD1-CD2 4.04Å; I89-L135 HydrophobicContact CD1-CG 4.46Å; L90-L135 PolarHBondContact O-N 3.41Å; C91-L135 CarbonylContact C-O 3.38Å; C91-L135 VanDerWaalsContact CA-O 3.31Å; C91-L135 WeakPolarHBondContact CA-O 3.28Å; C91-L135 HydrophobicContact CB-CB 4.37Å; V92-L135 PolarHBondContact N-O 2.83Å; R115-L135 HydrophobicContact CB-CD1 4.14Å; R115-L135 CarbonylContact O-C 3.58Å; R115-L135 WeakPolarHBondContact O-CA 3.4Å; C117-L135 HydrophobicContact CB-CD1 3.97Å; C117-L135 HydrophobicContact CB-CD2 4.48Å; C117-L135 HydrophobicContact CB-CG 4.43Å; C117-L135 VanDerWaalsContact SG-CD2 3.58Å
136	I	92.6	Very high	82.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.8	173.7	-60.4	-174.6	0	0	0	107.4	V92 P94 I100 T103 I104 I114 R115 A116 C117 C138 V259	V92-I136 HydrophobicContact CG2-CB 4.32Å; V92-I136 HydrophobicContact CG2-CG1 3.82Å; V92-I136 HydrophobicContact CG2-CG2 4.4Å; P94-I136 HydrophobicContact CG-CG2 3.65Å; I100-I136 HydrophobicContact CG1-CG2 4.27Å; I100-I136 HydrophobicContact CG2-CD1 4.47Å; T103-I136 HydrophobicContact CG2-CD1 4.03Å; T103-I136 HydrophobicContact CG2-CG1 4.29Å; I104-I136 HydrophobicContact CG1-CD1 3.96Å; I114-I136 HydrophobicContact CD1-CD1 4.17Å; I114-I136 HydrophobicContact CG2-CD1 3.68Å; I114-I136 HydrophobicContact CG2-CG1 4.15Å; R115-I136 PolarHBondContact O-N 2.77Å; A116-I136 CarbonylContact C-O 3.33Å; A116-I136 VanDerWaalsContact CA-O 3.24Å; A116-I136 WeakPolarHBondContact CA-O 3.5Å; C117-I136 PolarHBondContact N-O 2.95Å; I136-C138 PolarHBondContact O-N 3.34Å; I136-V259 HydrophobicContact CD1-CG2 3.93Å
137	D	91.4	Very high	84.9	Confident	18 Å²	18	49.9 Å²	49.9	10%	0.096	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102.7	178	176.9	0.1	0	0	0	110.1	V92 K93 P94 V139	V92-D137 PolarHBondContact O-N 3.27Å; K93-D137 WeakPolarHBondContact CE-OD2 3.42Å; K93-D137 HydrophobicContact CG-CB 3.8Å; P94-D137 WeakPolarHBondContact CD-O 3.41Å; D137-V139 VanDerWaalsContact C-N 3.29Å; D137-V139 PolarHBondContact O-N 3.48Å; D137-V139 VanDerWaalsContact OD1-CB 3.23Å; D137-V139 WeakPolarHBondContact OD1-CB 3.41Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V139 PolarHBondContact OD1-N 2.74Å
138	C	91.8	Very high	87.1	Confident	4 Å²	4	47 Å²	47	3%	0.027	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-82.1	1.3	-177.1	-67.4	0	0	0	0	113.5	C117 I136 N140 L141 C169	C117-C138 PolarHBondContact O-N 2.74Å; I136-C138 PolarHBondContact O-N 3.34Å; C138-N140 PolarHBondContact O-N 3.43Å; C138-L141 HydrophobicContact CB-CD1 3.86Å; C138-L141 HydrophobicContact CB-CG 4.38Å; C138-L141 WeakPolarHBondContact O-CG 3.33Å; C138-L141 PolarHBondContact O-N 3.43Å; C138-C169 WeakPolarHBondContact O-CB 3.24Å
139	V	89.8	Confident	89.2	Confident	35 Å²	35	44 Å²	44	21%	0.212	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.9	-33.3	-175.1	173.8	0	0	0	0	112.6	G118 D137 C169	G118-V139 VanDerWaalsContact O-CG2 3.31Å; G118-V139 WeakPolarHBondContact O-CG2 3.39Å; D137-V139 VanDerWaalsContact C-N 3.29Å; D137-V139 PolarHBondContact O-N 3.48Å; D137-V139 VanDerWaalsContact OD1-CB 3.23Å; D137-V139 WeakPolarHBondContact OD1-CB 3.41Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V139 PolarHBondContact OD1-N 2.74Å; V139-C169 WeakPolarHBondContact O-CB 3.39Å
140	N	90.2	Very high	90.8	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-101.4	21.1	-173.4	-67	-43	0	0	0	114.2	C138 S142	C138-N140 PolarHBondContact O-N 3.43Å; N140-S142 PolarHBondContact O-N 2.79Å
141	L	93.9	Very high	91.7	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.25	C	S	.	.			trans	-60.9	130	173.4	-73.5	169.3	0	0	0	110.6	P94 I100 C138 L167 S168 C169	P94-L141 HydrophobicContact CB-CD2 4.41Å; P94-L141 HydrophobicContact CG-CD2 4.37Å; I100-L141 HydrophobicContact CD1-CD1 4.26Å; I100-L141 HydrophobicContact CD1-CD2 3.85Å; I100-L141 HydrophobicContact CG1-CD2 4.47Å; C138-L141 HydrophobicContact CB-CD1 3.86Å; C138-L141 HydrophobicContact CB-CG 4.38Å; C138-L141 WeakPolarHBondContact O-CG 3.33Å; C138-L141 PolarHBondContact O-N 3.43Å; L141-L167 HydrophobicContact CB-CD2 3.9Å; L141-L167 HydrophobicContact CB-CG 4.48Å; L141-L167 HydrophobicContact CD1-CG 4.36Å; L141-S168 WeakPolarHBondContact CD1-OG 3.49Å; L141-C169 HydrophobicContact CB-CB 3.99Å; L141-C169 PolarHBondContact O-SG 2.86Å
142	S	93.6	Very high	92.3	Very high	77 Å²	77	44.2 Å²	44.2	54%	0.538	24%	0.241	S	C	.	.			trans	-116	5.5	-174.5	63.5	0	0	0	0	113.4	K95 N140	K95-S142 WeakPolarHBondContact CB-OG 3.32Å; K95-S142 PolarHBondContact O-N 3.46Å; K95-S142 PolarHBondContact O-OG 3.28Å; N140-S142 PolarHBondContact O-N 2.79Å
143	D	93.3	Very high	92.3	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.219	25%	0.248	C	C	.	.			trans	-59.4	139.4	172.8	-73.6	-39.3	0	0	0	110	S96 Y97 L167 Y261	S96-D143 VanDerWaalsContact C-OD2 3.31Å; S96-D143 WeakPolarHBondContact CA-OD2 3.24Å; S96-D143 VanDerWaalsContact CB-OD1 3.26Å; S96-D143 WeakPolarHBondContact CB-OD1 3.31Å; S96-D143 WeakPolarHBondContact CB-OD2 3.47Å; Y97-D143 PolarHBondContact N-OD2 2.91Å; D143-L167 HydrophobicContact CB-CD2 4.1Å; D143-L167 WeakPolarHBondContact O-CD2 3.29Å; D143-Y261 VanDerWaalsContact CB-OH 3.29Å; D143-Y261 WeakPolarHBondContact CB-OH 3.44Å; D143-Y261 VanDerWaalsContact CG-OH 3.28Å; D143-Y261 WeakPolarHBondContact OD2-CE2 3.46Å; D143-Y261 PolarHBondContact OD2-OH 2.89Å
144	S	92.3	Very high	91.7	Very high	112 Å²	112	46.8 Å²	46.8	78%	0.783	25%	0.252	S	S	*	.	S	Bend	trans	-120.2	142.3	-177.2	-176	0	0	0	0	110.1
145	P	94.4	Very high	90.9	Very high	58 Å²	58	53.4 Å²	53.4	38%	0.377	28%	0.281	S	S	.	.			cis	-78	149.6	-3.6	30.3	-32.2	0	0	0	112.9	E148	P145-E148 HydrophobicContact CB-CB 4.2Å; P145-E148 HydrophobicContact CG-CB 3.73Å; P145-E148 HydrophobicContact CG-CG 3.8Å; P145-E148 WeakPolarHBondContact CG-OE2 3.25Å
146	R	94.1	Very high	90.1	Very high	94 Å²	94	57.7 Å²	57.7	36%	0.355	31%	0.308	S	S	.	.	S	Bend	trans	-77.2	-37.5	175	-67.1	176.8	65.4	172.9	0.5	112.3	L167 C169 V170 E174	R146-L167 HydrophobicContact CG-CD2 4.28Å; R146-L167 PolarHBondContact O-N 3.32Å; R146-C169 PolarHBondContact NE-SG 2.85Å; R146-C169 PolarHBondContact NH2-O 2.95Å; R146-V170 HydrophobicContact CB-CG2 4.17Å; R146-V170 WeakPolarHBondContact O-CG2 3.26Å; R146-E174 IonicContact CZ-OE1 3.02Å; R146-E174 VanDerWaalsContact CZ-OE1 3.26Å; R146-E174 IonicContact CZ-OE2 2.6Å; R146-E174 VanDerWaalsContact CZ-OE2 3.28Å; R146-E174 IonicContact NE-OE1 2.82Å; R146-E174 PolarHBondContact NE-OE1 3.46Å; R146-E174 IonicContact NE-OE2 3.57Å; R146-E174 IonicContact NH1-OE1 3.35Å; R146-E174 IonicContact NH2-OE1 2.83Å; R146-E174 IonicContact NH2-OE2 2.96Å; R146-E174 PolarHBondContact NH2-OE2 3.42Å
147	I	96.4	Very high	89.4	Confident	17 Å²	17	62.5 Å²	62.5	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.2	176.4	-55.2	-179.8	0	0	0	107.9	L164 K165 L166 V170 E174 Y178	I147-L164 HydrophobicContact CG2-CD1 3.6Å; I147-L164 HydrophobicContact CG2-CD2 4.19Å; I147-L164 HydrophobicContact CG2-CG 3.92Å; I147-K165 VanDerWaalsContact CA-O 3.31Å; I147-K165 WeakPolarHBondContact CA-O 3.09Å; I147-L166 HydrophobicContact CB-CD2 4.16Å; I147-L166 HydrophobicContact CD1-CD2 4.12Å; I147-L166 HydrophobicContact CG1-CD2 3.74Å; I147-L166 HydrophobicContact CG2-CD2 3.66Å; I147-V170 HydrophobicContact CD1-CG1 3.78Å; I147-V170 HydrophobicContact CD1-CG2 4.31Å; I147-V170 HydrophobicContact CG1-CG1 4.08Å; I147-V170 HydrophobicContact CG1-CG2 3.75Å; I147-E174 HydrophobicContact CD1-CG 3.98Å; I147-Y178 HydrophobicContact CB-CD2 3.86Å; I147-Y178 HydrophobicContact CB-CE2 3.81Å; I147-Y178 HydrophobicContact CB-CG 4.29Å; I147-Y178 HydrophobicContact CD1-CD2 3.95Å; I147-Y178 HydrophobicContact CD1-CG 3.96Å; I147-Y178 HydrophobicContact CG1-CD2 4.48Å; I147-Y178 HydrophobicContact CG2-CD1 3.61Å; I147-Y178 HydrophobicContact CG2-CD2 3.65Å; I147-Y178 HydrophobicContact CG2-CE1 3.55Å; I147-Y178 HydrophobicContact CG2-CE2 3.57Å; I147-Y178 HydrophobicContact CG2-CG 3.66Å
148	E	95.8	Very high	88.8	Confident	53 Å²	53	63.5 Å²	63.5	25%	0.248	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.1	175.8	60.4	163.9	-151.7	0	0	113.1	P145 V150 K165	P145-E148 HydrophobicContact CB-CB 4.2Å; P145-E148 HydrophobicContact CG-CB 3.73Å; P145-E148 HydrophobicContact CG-CG 3.8Å; P145-E148 WeakPolarHBondContact CG-OE2 3.25Å; E148-V150 HydrophobicContact CG-CG1 3.81Å; E148-V150 WeakPolarHBondContact OE1-CG1 2.97Å; E148-K165 HydrophobicContact CG-CB 3.98Å; E148-K165 PolarHBondContact N-O 3.37Å; E148-K165 PolarHBondContact O-N 3.2Å; E148-K165 WeakPolarHBondContact OE1-CE 3.49Å; E148-K165 IonicContact OE1-NZ 2.7Å; E148-K165 PolarHBondContact OE1-NZ 3.19Å
149	F	96.4	Very high	88.4	Confident	84 Å²	84	70.3 Å²	70.3	37%	0.368	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	167.8	-66.9	-77.2	0	0	0	110.4	L164 Y178 H182 I184 Y267	F149-L164 HydrophobicContact CD1-CD1 4.14Å; F149-L164 HydrophobicContact CE1-CD1 4.05Å; F149-L164 HydrophobicContact CZ-CD1 4.36Å; F149-Y178 AromaticContact CE2-CE1 3.85Å; F149-Y178 HydrophobicContact CE2-CE1 3.85Å; F149-Y178 WeakPolarHBondContact CE2-OH 3.02Å; F149-Y178 AromaticContact CZ-CE1 3.93Å; F149-Y178 HydrophobicContact CZ-CE1 3.93Å; F149-H182 HydrophobicContact CE2-CB 4.28Å; F149-H182 AromaticContact CE2-CD2 3.72Å; F149-H182 HydrophobicContact CZ-CB 3.9Å; F149-I184 HydrophobicContact CE1-CD1 3.82Å; F149-I184 HydrophobicContact CE1-CG2 4.38Å; F149-I184 HydrophobicContact CZ-CD1 3.94Å; F149-Y267 HydrophobicContact CD1-CD1 4.49Å; F149-Y267 AromaticContact CD1-CE1 3.68Å; F149-Y267 HydrophobicContact CD1-CE1 3.68Å; F149-Y267 HydrophobicContact CD1-CE2 4.47Å; F149-Y267 AromaticContact CD1-CZ 3.67Å; F149-Y267 HydrophobicContact CE1-CD1 4.43Å; F149-Y267 AromaticContact CE1-CE1 3.9Å; F149-Y267 HydrophobicContact CE1-CE1 3.9Å; F149-Y267 HydrophobicContact CE1-CE2 4.05Å; F149-Y267 AromaticContact CE1-CZ 3.69Å
150	V	95.6	Very high	88.2	Confident	24 Å²	24	74.4 Å²	74.4	15%	0.145	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.5	-179.1	-63	0	0	0	0	111.5	E148 I152 G163 K165 T264	E148-V150 HydrophobicContact CG-CG1 3.81Å; E148-V150 WeakPolarHBondContact OE1-CG1 2.97Å; V150-I152 HydrophobicContact CG2-CD1 4.18Å; V150-I152 HydrophobicContact CG2-CG1 4.19Å; V150-G163 PolarHBondContact N-O 3.35Å; V150-G163 PolarHBondContact O-N 3.2Å; V150-K165 HydrophobicContact CG1-CB 3.93Å; V150-K165 HydrophobicContact CG1-CD 4.39Å; V150-K165 HydrophobicContact CG2-CB 3.95Å; V150-T264 HydrophobicContact CG2-CG2 3.53Å
151	N	92.5	Very high	88.2	Confident	100 Å²	100	72.5 Å²	72.5	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.1	166.7	-70.4	-24.9	0	0	0	108.7	Q162	N151-Q162 WeakPolarHBondContact OD1-CG 3.16Å
152	I	89	Confident	88	Confident	20 Å²	20	78 Å²	78	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.2	175.1	-60.3	-62.3	0	0	0	108.6	V150 E160 I161 I227 A228 T264	V150-I152 HydrophobicContact CG2-CD1 4.18Å; V150-I152 HydrophobicContact CG2-CG1 4.19Å; I152-E160 WeakPolarHBondContact O-CA 3.27Å; I152-I161 PolarHBondContact N-O 2.85Å; I152-I161 PolarHBondContact O-N 2.89Å; I152-I227 HydrophobicContact CB-CD1 4.45Å; I152-I227 HydrophobicContact CG1-CD1 4.27Å; I152-A228 HydrophobicContact CD1-CB 4.18Å; I152-A228 HydrophobicContact CG1-CB 4.17Å; I152-A228 HydrophobicContact CG2-CB 4.26Å; I152-T264 HydrophobicContact CG1-CG2 3.96Å
153	K	84.9	Confident	88.1	Confident	130 Å²	130	74.3 Å²	74.3	57%	0.565	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.2	171.7	-166.8	171.4	-174.8	168.9	0	109.3	K155 G158 E160	K153-K155 PolarHBondContact O-N 3.33Å; K153-G158 WeakPolarHBondContact CE-O 3.39Å; K153-E160 HydrophobicContact CB-CG 4.26Å; K153-E160 HydrophobicContact CG-CG 4.24Å
154	C	74.2	Confident	88.2	Confident	17 Å²	17	72.4 Å²	72.4	12%	0.115	38%	0.376	C	S	.	.			trans	-62.6	122.5	177.7	-178	0	0	0	0	110	T156 T157 G158 K159	C154-T156 PolarHBondContact O-N 2.92Å; C154-T156 PolarHBondContact SG-OG1 3.14Å; C154-T156 VanDerWaalsContact SG-OG1 3.36Å; C154-T157 VanDerWaalsContact CB-OG1 3.29Å; C154-T157 WeakPolarHBondContact CB-OG1 3.33Å; C154-T157 PolarHBondContact SG-OG1 2.71Å; C154-G158 VanDerWaalsContact O-CA 3.27Å; C154-G158 WeakPolarHBondContact O-CA 3.27Å; C154-G158 PolarHBondContact O-N 2.74Å; C154-K159 PolarHBondContact N-O 3.13Å
155	K	76	Confident	88.4	Confident	139 Å²	139	68.9 Å²	68.9	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.7	-175.6	-69.6	176.6	-176.1	165.1	0	113.2	K153 E240	K153-K155 PolarHBondContact O-N 3.33Å; K155-E240 PolarHBondContact NZ-O 3.43Å
156	T	73.7	Confident	88.5	Confident	95 Å²	95	66.1 Å²	66.1	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-42.1	-177	27	0	0	0	0	113.6	C154 N243	C154-T156 PolarHBondContact O-N 2.92Å; C154-T156 PolarHBondContact SG-OG1 3.14Å; C154-T156 VanDerWaalsContact SG-OG1 3.36Å; T156-N243 WeakPolarHBondContact CG2-ND2 3.42Å
157	T	77.1	Confident	88.6	Confident	101 Å²	101	62 Å²	62	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.5	-175.3	62.4	0	0	0	0	113.3	C154 K159	C154-T157 VanDerWaalsContact CB-OG1 3.29Å; C154-T157 WeakPolarHBondContact CB-OG1 3.33Å; C154-T157 PolarHBondContact SG-OG1 2.71Å; T157-K159 PolarHBondContact O-N 2.93Å; T157-K159 VanDerWaalsContact O-N 3.12Å; T157-K159 PolarHBondContact OG1-N 3.48Å
158	G	80.1	Confident	88.4	Confident	39 Å²	39	61.3 Å²	61.3	40%	0.402	31%	0.311	S	S	.	.			trans	68.6	-1.1	-172.3	0	0	0	0	0	114.3	K153 C154	K153-G158 WeakPolarHBondContact CE-O 3.39Å; C154-G158 VanDerWaalsContact O-CA 3.27Å; C154-G158 WeakPolarHBondContact O-CA 3.27Å; C154-G158 PolarHBondContact O-N 2.74Å
159	K	83.3	Confident	88.3	Confident	147 Å²	147	59 Å²	59	64%	0.639	30%	0.3	S	S	*	.			trans	-70.3	132.6	179.3	-168.7	178	179.9	-178.1	0	109.7	C154 T157	C154-K159 PolarHBondContact N-O 3.13Å; T157-K159 PolarHBondContact O-N 2.93Å; T157-K159 VanDerWaalsContact O-N 3.12Å; T157-K159 PolarHBondContact OG1-N 3.48Å
160	E	86.4	Confident	88.1	Confident	121 Å²	121	55 Å²	55	57%	0.565	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.4	170.7	-72.4	-177.6	-178.8	0	0	110	I152 K153	I152-E160 WeakPolarHBondContact O-CA 3.27Å; K153-E160 HydrophobicContact CB-CG 4.26Å; K153-E160 HydrophobicContact CG-CG 4.24Å
161	I	88.6	Confident	87.7	Confident	49 Å²	49	55.3 Å²	55.3	25%	0.251	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.2	178.9	-54.8	175.1	0	0	0	106.9	I152 I227	I152-I161 PolarHBondContact N-O 2.85Å; I152-I161 PolarHBondContact O-N 2.89Å; I161-I227 HydrophobicContact CB-CD1 4.21Å; I161-I227 HydrophobicContact CG2-CD1 3.71Å; I161-I227 HydrophobicContact CG2-CG2 4.4Å
162	Q	90.6	Very high	87.2	Confident	120 Å²	120	51.2 Å²	51.2	56%	0.561	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.9	170.3	-75.7	178.8	5.5	0	0	109.4	N151 Y267	N151-Q162 WeakPolarHBondContact OD1-CG 3.16Å; Q162-Y267 HydrophobicContact CB-CE1 4.24Å; Q162-Y267 PolarHBondContact OE1-OH 2.64Å
163	G	94.4	Very high	86.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.8	178.9	0	0	0	0	0	112.5	V150 L265	V150-G163 PolarHBondContact N-O 3.35Å; V150-G163 PolarHBondContact O-N 3.2Å; G163-L265 CarbonylContact C-O 3.57Å; G163-L265 VanDerWaalsContact CA-O 3.23Å; G163-L265 WeakPolarHBondContact CA-O 3.24Å
164	L	96.2	Very high	86.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.9	174.5	-171.3	70.7	0	0	0	108	I147 F149 L166 L175 Y178 I184 T264 L265 Y267	I147-L164 HydrophobicContact CG2-CD1 3.6Å; I147-L164 HydrophobicContact CG2-CD2 4.19Å; I147-L164 HydrophobicContact CG2-CG 3.92Å; F149-L164 HydrophobicContact CD1-CD1 4.14Å; F149-L164 HydrophobicContact CE1-CD1 4.05Å; F149-L164 HydrophobicContact CZ-CD1 4.36Å; L164-L166 HydrophobicContact CD2-CD2 3.88Å; L164-L166 HydrophobicContact CG-CD2 3.91Å; L164-L166 HydrophobicContact CG-CG 4.49Å; L164-L175 HydrophobicContact CD2-CD1 3.57Å; L164-Y178 HydrophobicContact CD1-CD1 4.12Å; L164-Y178 HydrophobicContact CD1-CE1 3.58Å; L164-Y178 HydrophobicContact CD2-CD1 4.4Å; L164-I184 HydrophobicContact CD1-CD1 4.24Å; L164-I184 HydrophobicContact CD2-CD1 3.96Å; L164-T264 WeakPolarHBondContact O-CA 3.44Å; L164-L265 PolarHBondContact N-O 3.46Å; L164-L265 PolarHBondContact O-N 3.05Å; L164-Y267 HydrophobicContact CB-CD1 4.05Å
165	K	96.8	Very high	87.4	Confident	38 Å²	38	48.6 Å²	48.6	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.3	176.9	-167.2	178.5	76.6	-170.6	0	109.6	I147 E148 V150 D262 V263	I147-K165 VanDerWaalsContact CA-O 3.31Å; I147-K165 WeakPolarHBondContact CA-O 3.09Å; E148-K165 HydrophobicContact CG-CB 3.98Å; E148-K165 PolarHBondContact N-O 3.37Å; E148-K165 PolarHBondContact O-N 3.2Å; E148-K165 WeakPolarHBondContact OE1-CE 3.49Å; E148-K165 IonicContact OE1-NZ 2.7Å; E148-K165 PolarHBondContact OE1-NZ 3.19Å; V150-K165 HydrophobicContact CG1-CB 3.93Å; V150-K165 HydrophobicContact CG1-CD 4.39Å; V150-K165 HydrophobicContact CG2-CB 3.95Å; K165-D262 HydrophobicContact CG-CB 4.38Å; K165-V263 CarbonylContact C-O 3.52Å; K165-V263 WeakPolarHBondContact CA-O 3.38Å
166	L	96.3	Very high	87.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.3	-175.2	-54.9	176.1	0	0	0	109.8	I147 L164 V170 L175 I199 D262 V263 L265	I147-L166 HydrophobicContact CB-CD2 4.16Å; I147-L166 HydrophobicContact CD1-CD2 4.12Å; I147-L166 HydrophobicContact CG1-CD2 3.74Å; I147-L166 HydrophobicContact CG2-CD2 3.66Å; L164-L166 HydrophobicContact CD2-CD2 3.88Å; L164-L166 HydrophobicContact CG-CD2 3.91Å; L164-L166 HydrophobicContact CG-CG 4.49Å; L166-V170 HydrophobicContact CB-CB 4.46Å; L166-V170 HydrophobicContact CB-CG2 4.46Å; L166-V170 HydrophobicContact CD2-CG1 4.34Å; L166-L175 HydrophobicContact CD1-CD1 3.98Å; L166-L175 HydrophobicContact CD1-CD2 4.12Å; L166-L175 HydrophobicContact CD2-CD1 3.85Å; L166-I199 HydrophobicContact CD1-CB 4.48Å; L166-I199 HydrophobicContact CD1-CG2 3.88Å; L166-D262 WeakPolarHBondContact O-CA 3.35Å; L166-D262 WeakPolarHBondContact O-CB 3.4Å; L166-V263 HydrophobicContact CB-CG2 4.09Å; L166-V263 PolarHBondContact N-O 3.14Å; L166-V263 PolarHBondContact O-N 2.93Å; L166-L265 HydrophobicContact CD1-CD1 3.57Å; L166-L265 HydrophobicContact CD1-CG 4.08Å
167	L	95.8	Very high	87.9	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	150.6	171.8	-162.1	65.5	0	0	0	110.4	L141 D143 R146 C169 V170 Y261 D262	L141-L167 HydrophobicContact CB-CD2 3.9Å; L141-L167 HydrophobicContact CB-CG 4.48Å; L141-L167 HydrophobicContact CD1-CG 4.36Å; D143-L167 HydrophobicContact CB-CD2 4.1Å; D143-L167 WeakPolarHBondContact O-CD2 3.29Å; R146-L167 HydrophobicContact CG-CD2 4.28Å; R146-L167 PolarHBondContact O-N 3.32Å; L167-C169 PolarHBondContact O-N 2.9Å; L167-C169 VanDerWaalsContact O-N 3.07Å; L167-V170 HydrophobicContact CB-CG2 4.25Å; L167-V170 VanDerWaalsContact O-CB 3.3Å; L167-V170 WeakPolarHBondContact O-CB 3.46Å; L167-V170 VanDerWaalsContact O-CG2 3.28Å; L167-V170 WeakPolarHBondContact O-CG2 3.27Å; L167-V170 PolarHBondContact O-N 3.22Å; L167-Y261 HydrophobicContact CD1-CD1 4.5Å; L167-Y261 HydrophobicContact CD1-CD2 4.11Å; L167-Y261 HydrophobicContact CD1-CE1 4.05Å; L167-Y261 HydrophobicContact CD1-CE2 3.63Å; L167-Y261 HydrophobicContact CD1-CG 4.5Å; L167-Y261 WeakPolarHBondContact CD1-O 3.38Å; L167-D262 HydrophobicContact CD1-CB 4.41Å
168	S	93.2	Very high	88.4	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.028	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-176.4	48.9	0	0	0	0	115.4	L141 V170 T198 V260 Y261	L141-S168 WeakPolarHBondContact CD1-OG 3.49Å; S168-V170 VanDerWaalsContact C-N 3.33Å; S168-T198 WeakPolarHBondContact O-CB 3.35Å; S168-V260 VanDerWaalsContact CB-O 3.27Å; S168-V260 WeakPolarHBondContact CB-O 3.36Å; S168-V260 PolarHBondContact OG-O 3.14Å; S168-Y261 VanDerWaalsContact CB-O 3.27Å; S168-Y261 WeakPolarHBondContact CB-O 3.45Å; S168-Y261 PolarHBondContact N-O 3.44Å; S168-Y261 PolarHBondContact OG-O 2.83Å
169	C	92.8	Very high	88.6	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.02	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.6	173.8	65.8	0	0	0	0	114.6	C138 V139 L141 R146 L167 T171	C138-C169 WeakPolarHBondContact O-CB 3.24Å; V139-C169 WeakPolarHBondContact O-CB 3.39Å; L141-C169 HydrophobicContact CB-CB 3.99Å; L141-C169 PolarHBondContact O-SG 2.86Å; R146-C169 PolarHBondContact NE-SG 2.85Å; R146-C169 PolarHBondContact NH2-O 2.95Å; L167-C169 PolarHBondContact O-N 2.9Å; L167-C169 VanDerWaalsContact O-N 3.07Å; C169-T171 PolarHBondContact O-N 2.87Å
170	V	92.3	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.			trans	-65.6	120.5	-176.2	174.3	0	0	0	0	109.8	R146 I147 L166 L167 S168 E174 L175 T198 I199	R146-V170 HydrophobicContact CB-CG2 4.17Å; R146-V170 WeakPolarHBondContact O-CG2 3.26Å; I147-V170 HydrophobicContact CD1-CG1 3.78Å; I147-V170 HydrophobicContact CD1-CG2 4.31Å; I147-V170 HydrophobicContact CG1-CG1 4.08Å; I147-V170 HydrophobicContact CG1-CG2 3.75Å; L166-V170 HydrophobicContact CB-CB 4.46Å; L166-V170 HydrophobicContact CB-CG2 4.46Å; L166-V170 HydrophobicContact CD2-CG1 4.34Å; L167-V170 HydrophobicContact CB-CG2 4.25Å; L167-V170 VanDerWaalsContact O-CB 3.3Å; L167-V170 WeakPolarHBondContact O-CB 3.46Å; L167-V170 VanDerWaalsContact O-CG2 3.28Å; L167-V170 WeakPolarHBondContact O-CG2 3.27Å; L167-V170 PolarHBondContact O-N 3.22Å; S168-V170 VanDerWaalsContact C-N 3.33Å; V170-E174 WeakPolarHBondContact CA-OE2 3.46Å; V170-E174 HydrophobicContact CG1-CB 4.36Å; V170-E174 HydrophobicContact CG1-CG 4.43Å; V170-L175 HydrophobicContact CG1-CB 4.26Å; V170-T198 WeakPolarHBondContact O-CA 3.45Å; V170-I199 PolarHBondContact O-N 2.97Å
171	T	86.8	Confident	88.1	Confident	32 Å²	32	30.9 Å²	30.9	20%	0.196	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-79.5	158.1	176.6	64.6	0	0	0	0	110.8	C169 N173 E174 L175 D197	C169-T171 PolarHBondContact O-N 2.87Å; T171-N173 VanDerWaalsContact C-N 3.28Å; T171-N173 PolarHBondContact O-N 2.59Å; T171-E174 PolarHBondContact O-N 3.21Å; T171-E174 VanDerWaalsContact OG1-CB 3.27Å; T171-E174 WeakPolarHBondContact OG1-CB 3.31Å; T171-E174 PolarHBondContact OG1-N 3.2Å; T171-E174 VanDerWaalsContact OG1-N 3.14Å; T171-L175 PolarHBondContact O-N 2.95Å; T171-D197 CarbonylContact C-O 3.57Å; T171-D197 WeakPolarHBondContact CA-O 3.45Å
172	I	81.6	Confident	88	Confident	13 Å²	13	32.4 Å²	32.4	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-42.3	175	-69	160.2	0	0	0	110.5	E174 L175 I176 T192 D197 I199	I172-E174 PolarHBondContact O-N 3.46Å; I172-L175 PolarHBondContact O-N 3.36Å; I172-I176 HydrophobicContact CG2-CD1 3.85Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 VanDerWaalsContact O-CG1 3.3Å; I172-I176 WeakPolarHBondContact O-CG1 3.05Å; I172-I176 PolarHBondContact O-N 3.27Å; I172-T192 HydrophobicContact CD1-CG2 3.35Å; I172-T192 HydrophobicContact CG2-CG2 4.31Å; I172-D197 HydrophobicContact CD1-CB 3.76Å; I172-D197 WeakPolarHBondContact CG1-O 3.15Å; I172-D197 PolarHBondContact N-O 2.54Å; I172-I199 HydrophobicContact CB-CD1 4.26Å; I172-I199 HydrophobicContact CG1-CD1 3.46Å; I172-I199 VanDerWaalsContact CG1-CD1 3.46Å; I172-I199 HydrophobicContact CG1-CG1 4.09Å
173	N	79.8	Confident	87.5	Confident	58 Å²	58	30.1 Å²	30.1	31%	0.31	15%	0.151	S	C	.	.	H	α-helix	trans	-61.2	-44.2	176.4	-168	60.1	0	0	0	113.1	T171 L175 I176 H177 I195	T171-N173 VanDerWaalsContact C-N 3.28Å; T171-N173 PolarHBondContact O-N 2.59Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.31Å; N173-I176 PolarHBondContact O-N 2.57Å; N173-H177 PolarHBondContact ND2-CD2 3.35Å; N173-H177 PolarHBondContact ND2-NE2 3.31Å; N173-H177 VanDerWaalsContact ND2-NE2 3.19Å; N173-H177 PolarHBondContact O-CD2 2.83Å; N173-H177 PolarHBondContact O-N 3.41Å; N173-I195 HydrophobicContact CB-CB 4.34Å; N173-I195 WeakPolarHBondContact CB-O 3.29Å; N173-I195 PolarHBondContact N-O 2.6Å
174	E	86.7	Confident	87.1	Confident	50 Å²	50	30.7 Å²	30.7	23%	0.234	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.8	-175.4	-175.9	-177.6	0	0	111.6	R146 I147 V170 T171 I172 H177 Y178	R146-E174 IonicContact CZ-OE1 3.02Å; R146-E174 VanDerWaalsContact CZ-OE1 3.26Å; R146-E174 IonicContact CZ-OE2 2.6Å; R146-E174 VanDerWaalsContact CZ-OE2 3.28Å; R146-E174 IonicContact NE-OE1 2.82Å; R146-E174 PolarHBondContact NE-OE1 3.46Å; R146-E174 IonicContact NE-OE2 3.57Å; R146-E174 IonicContact NH1-OE1 3.35Å; R146-E174 IonicContact NH2-OE1 2.83Å; R146-E174 IonicContact NH2-OE2 2.96Å; R146-E174 PolarHBondContact NH2-OE2 3.42Å; I147-E174 HydrophobicContact CD1-CG 3.98Å; V170-E174 WeakPolarHBondContact CA-OE2 3.46Å; V170-E174 HydrophobicContact CG1-CB 4.36Å; V170-E174 HydrophobicContact CG1-CG 4.43Å; T171-E174 PolarHBondContact O-N 3.21Å; T171-E174 VanDerWaalsContact OG1-CB 3.27Å; T171-E174 WeakPolarHBondContact OG1-CB 3.31Å; T171-E174 PolarHBondContact OG1-N 3.2Å; T171-E174 VanDerWaalsContact OG1-N 3.14Å; I172-E174 PolarHBondContact O-N 3.46Å; E174-H177 PolarHBondContact O-N 3.27Å; E174-Y178 WeakPolarHBondContact O-CB 3.23Å; E174-Y178 PolarHBondContact O-N 3.09Å
175	L	86.7	Confident	86.5	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-43	175.3	175.5	64.3	0	0	0	112.1	L164 L166 V170 T171 I172 N173 Y178 Q179 I186 I199	L164-L175 HydrophobicContact CD2-CD1 3.57Å; L166-L175 HydrophobicContact CD1-CD1 3.98Å; L166-L175 HydrophobicContact CD1-CD2 4.12Å; L166-L175 HydrophobicContact CD2-CD1 3.85Å; V170-L175 HydrophobicContact CG1-CB 4.26Å; T171-L175 PolarHBondContact O-N 2.95Å; I172-L175 PolarHBondContact O-N 3.36Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.31Å; L175-Y178 PolarHBondContact O-N 2.98Å; L175-Q179 HydrophobicContact CD1-CG 4.06Å; L175-Q179 HydrophobicContact CG-CG 4.38Å; L175-Q179 WeakPolarHBondContact O-CB 3.16Å; L175-Q179 VanDerWaalsContact O-CG 3.24Å; L175-Q179 WeakPolarHBondContact O-CG 3.31Å; L175-Q179 PolarHBondContact O-N 3.14Å; L175-Q179 PolarHBondContact O-NE2 3.35Å; L175-I186 HydrophobicContact CD1-CD1 3.93Å; L175-I186 HydrophobicContact CD2-CD1 3.62Å; L175-I186 HydrophobicContact CG-CD1 4.23Å; L175-I199 HydrophobicContact CB-CD1 4.41Å; L175-I199 HydrophobicContact CB-CG1 4.26Å; L175-I199 HydrophobicContact CD2-CD1 3.3Å; L175-I199 HydrophobicContact CD2-CG1 3.69Å; L175-I199 HydrophobicContact CG-CD1 4.49Å
176	I	80.2	Confident	86	Confident	20 Å²	20	28.9 Å²	28.9	10%	0.103	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-49.9	177.7	-70.1	165.7	0	0	0	110.5	I172 N173 Y178 Q179 I180 W454	I172-I176 HydrophobicContact CG2-CD1 3.85Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 VanDerWaalsContact O-CG1 3.3Å; I172-I176 WeakPolarHBondContact O-CG1 3.05Å; I172-I176 PolarHBondContact O-N 3.27Å; N173-I176 PolarHBondContact O-N 2.57Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3Å; I176-Q179 WeakPolarHBondContact O-CB 3.48Å; I176-Q179 PolarHBondContact O-N 3.12Å; I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.04Å; I176-I180 PolarHBondContact O-N 2.97Å; I176-I180 VanDerWaalsContact O-N 3.08Å; I176-W454 HydrophobicContact CD1-CB 4.46Å; I176-W454 HydrophobicContact CD1-CE3 4.41Å; I176-W454 HydrophobicContact CG1-CB 4.36Å; I176-W454 HydrophobicContact CG1-CD2 4.2Å; I176-W454 HydrophobicContact CG1-CE3 3.81Å; I176-W454 HydrophobicContact CG1-CG 4.4Å; I176-W454 HydrophobicContact CG1-CZ3 4.48Å; I176-W454 HydrophobicContact CG2-CB 4.17Å; I176-W454 HydrophobicContact CG2-CG 4.37Å
177	H	80.3	Confident	85.5	Confident	74 Å²	74	29.1 Å²	29.1	34%	0.343	15%	0.147	S	C	.	.	H	α-helix	trans	-60.9	-41.1	176.7	-71.7	-56.5	0	0	0	112.4	N173 E174 Q179 I180 N181	N173-H177 PolarHBondContact ND2-CD2 3.35Å; N173-H177 PolarHBondContact ND2-NE2 3.31Å; N173-H177 VanDerWaalsContact ND2-NE2 3.19Å; N173-H177 PolarHBondContact O-CD2 2.83Å; N173-H177 PolarHBondContact O-N 3.41Å; E174-H177 PolarHBondContact O-N 3.27Å; H177-Q179 VanDerWaalsContact C-N 3.3Å; H177-Q179 PolarHBondContact O-N 2.9Å; H177-I180 PolarHBondContact O-N 2.93Å; H177-N181 WeakPolarHBondContact O-CB 2.93Å; H177-N181 PolarHBondContact O-N 3.08Å; H177-N181 PolarHBondContact O-ND2 2.94Å
178	Y	87	Confident	84.9	Confident	45 Å²	45	28.9 Å²	28.9	18%	0.176	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-42.5	177.3	-167.2	-83.5	0	0	0	111.7	I147 F149 L164 E174 L175 I176 N181 H182	I147-Y178 HydrophobicContact CB-CD2 3.86Å; I147-Y178 HydrophobicContact CB-CE2 3.81Å; I147-Y178 HydrophobicContact CB-CG 4.29Å; I147-Y178 HydrophobicContact CD1-CD2 3.95Å; I147-Y178 HydrophobicContact CD1-CG 3.96Å; I147-Y178 HydrophobicContact CG1-CD2 4.48Å; I147-Y178 HydrophobicContact CG2-CD1 3.61Å; I147-Y178 HydrophobicContact CG2-CD2 3.65Å; I147-Y178 HydrophobicContact CG2-CE1 3.55Å; I147-Y178 HydrophobicContact CG2-CE2 3.57Å; I147-Y178 HydrophobicContact CG2-CG 3.66Å; F149-Y178 AromaticContact CE2-CE1 3.85Å; F149-Y178 HydrophobicContact CE2-CE1 3.85Å; F149-Y178 WeakPolarHBondContact CE2-OH 3.02Å; F149-Y178 AromaticContact CZ-CE1 3.93Å; F149-Y178 HydrophobicContact CZ-CE1 3.93Å; L164-Y178 HydrophobicContact CD1-CD1 4.12Å; L164-Y178 HydrophobicContact CD1-CE1 3.58Å; L164-Y178 HydrophobicContact CD2-CD1 4.4Å; E174-Y178 WeakPolarHBondContact O-CB 3.23Å; E174-Y178 PolarHBondContact O-N 3.09Å; L175-Y178 PolarHBondContact O-N 2.98Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3Å; Y178-N181 PolarHBondContact O-N 2.83Å; Y178-H182 AromaticContact CD1-CE1 3.98Å; Y178-H182 AromaticContact CD1-ND1 3.49Å; Y178-H182 WeakPolarHBondContact CD1-ND1 3.45Å; Y178-H182 AromaticContact CD2-CE1 3.67Å; Y178-H182 AromaticContact CD2-ND1 3.92Å; Y178-H182 HydrophobicContact CE1-CB 4.47Å; Y178-H182 AromaticContact CE1-CE1 3.64Å; Y178-H182 AromaticContact CE1-CG 3.84Å; Y178-H182 AromaticContact CE1-ND1 3.38Å; Y178-H182 WeakPolarHBondContact CE1-ND1 3.49Å; Y178-H182 AromaticContact CE2-CE1 3.31Å; Y178-H182 WeakPolarHBondContact CE2-CE1 3.45Å; Y178-H182 AromaticContact CE2-ND1 3.85Å; Y178-H182 AromaticContact CG-CE1 3.99Å; Y178-H182 AromaticContact CG-ND1 3.76Å; Y178-H182 AromaticContact CZ-CE1 3.3Å; Y178-H182 AromaticContact CZ-ND1 3.59Å; Y178-H182 AromaticContact CZ-NE2 3.73Å; Y178-H182 PolarHBondContact O-N 2.96Å; Y178-H182 VanDerWaalsContact O-N 3.14Å; Y178-H182 PolarHBondContact O-ND1 3.45Å
179	Q	85.8	Confident	84	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-45.6	-179.9	-77.6	176.7	125.4	0	0	112.7	L175 I176 H177 H182 N183 I184 W454	L175-Q179 HydrophobicContact CD1-CG 4.06Å; L175-Q179 HydrophobicContact CG-CG 4.38Å; L175-Q179 WeakPolarHBondContact O-CB 3.16Å; L175-Q179 VanDerWaalsContact O-CG 3.24Å; L175-Q179 WeakPolarHBondContact O-CG 3.31Å; L175-Q179 PolarHBondContact O-N 3.14Å; L175-Q179 PolarHBondContact O-NE2 3.35Å; I176-Q179 WeakPolarHBondContact O-CB 3.48Å; I176-Q179 PolarHBondContact O-N 3.12Å; H177-Q179 VanDerWaalsContact C-N 3.3Å; H177-Q179 PolarHBondContact O-N 2.9Å; Q179-H182 CarbonylContact O-C 3.39Å; Q179-H182 PolarHBondContact O-N 3.07Å; Q179-N183 PolarHBondContact O-N 3.36Å; Q179-I184 CarbonylContact C-O 3.41Å; Q179-I184 HydrophobicContact CB-CG1 4.3Å; Q179-I184 VanDerWaalsContact CB-O 3.26Å; Q179-I184 WeakPolarHBondContact CB-O 3.39Å; Q179-I184 HydrophobicContact CG-CD1 4.23Å; Q179-I184 HydrophobicContact CG-CG1 4.11Å; Q179-I184 PolarHBondContact O-N 3.36Å; Q179-W454 HydrophobicContact CG-CZ2 4.46Å
180	I	78.4	Confident	82.7	Confident	12 Å²	12	29.7 Å²	29.7	6%	0.062	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-50.1	175.8	-65.5	168.3	0	0	0	110.3	I176 H177 H182 N183 Y398	I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.04Å; I176-I180 PolarHBondContact O-N 2.97Å; I176-I180 VanDerWaalsContact O-N 3.08Å; H177-I180 PolarHBondContact O-N 2.93Å; I180-H182 PolarHBondContact O-N 3.34Å; I180-H182 VanDerWaalsContact O-N 3.12Å; I180-N183 PolarHBondContact O-N 3.03Å; I180-N183 VanDerWaalsContact O-N 3.17Å; I180-Y398 HydrophobicContact CG2-CD2 4.43Å; I180-Y398 HydrophobicContact CG2-CG 4.16Å
181	N	80.7	Confident	81.3	Confident	119 Å²	119	29.8 Å²	29.8	64%	0.636	15%	0.15	S	C	*	.	H	α-helix	trans	-62.2	-24.8	-177.5	-70.4	-18.1	0	0	0	113.6	H177 Y178	H177-N181 WeakPolarHBondContact O-CB 2.93Å; H177-N181 PolarHBondContact O-N 3.08Å; H177-N181 PolarHBondContact O-ND2 2.94Å; Y178-N181 PolarHBondContact O-N 2.83Å
182	H	85	Confident	80	Confident	81 Å²	81	28.7 Å²	28.7	38%	0.375	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	7.2	-178.8	-61	86.3	0	0	0	113.5	F149 Y178 Q179 I180 I184	F149-H182 HydrophobicContact CE2-CB 4.28Å; F149-H182 AromaticContact CE2-CD2 3.72Å; F149-H182 HydrophobicContact CZ-CB 3.9Å; Y178-H182 AromaticContact CD1-CE1 3.98Å; Y178-H182 AromaticContact CD1-ND1 3.49Å; Y178-H182 WeakPolarHBondContact CD1-ND1 3.45Å; Y178-H182 AromaticContact CD2-CE1 3.67Å; Y178-H182 AromaticContact CD2-ND1 3.92Å; Y178-H182 HydrophobicContact CE1-CB 4.47Å; Y178-H182 AromaticContact CE1-CE1 3.64Å; Y178-H182 AromaticContact CE1-CG 3.84Å; Y178-H182 AromaticContact CE1-ND1 3.38Å; Y178-H182 WeakPolarHBondContact CE1-ND1 3.49Å; Y178-H182 AromaticContact CE2-CE1 3.31Å; Y178-H182 WeakPolarHBondContact CE2-CE1 3.45Å; Y178-H182 AromaticContact CE2-ND1 3.85Å; Y178-H182 AromaticContact CG-CE1 3.99Å; Y178-H182 AromaticContact CG-ND1 3.76Å; Y178-H182 AromaticContact CZ-CE1 3.3Å; Y178-H182 AromaticContact CZ-ND1 3.59Å; Y178-H182 AromaticContact CZ-NE2 3.73Å; Y178-H182 PolarHBondContact O-N 2.96Å; Y178-H182 VanDerWaalsContact O-N 3.14Å; Y178-H182 PolarHBondContact O-ND1 3.45Å; Q179-H182 CarbonylContact O-C 3.39Å; Q179-H182 PolarHBondContact O-N 3.07Å; I180-H182 PolarHBondContact O-N 3.34Å; I180-H182 VanDerWaalsContact O-N 3.12Å; H182-I184 VanDerWaalsContact C-N 3.29Å; H182-I184 HydrophobicContact CB-CG1 4.24Å; H182-I184 PolarHBondContact O-N 2.8Å
183	N	81.3	Confident	78.7	Confident	73 Å²	73	28.9 Å²	28.9	39%	0.39	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.2	-178.1	-56.8	-64	0	0	0	114	Q179 I180 I270 Y398	Q179-N183 PolarHBondContact O-N 3.36Å; I180-N183 PolarHBondContact O-N 3.03Å; I180-N183 VanDerWaalsContact O-N 3.17Å; N183-I270 HydrophobicContact CB-CG2 4.01Å; N183-I270 PolarHBondContact O-N 3.2Å; N183-Y398 VanDerWaalsContact OD1-CE2 3.31Å; N183-Y398 WeakPolarHBondContact OD1-CE2 3.02Å; N183-Y398 VanDerWaalsContact OD1-CZ 3.29Å; N183-Y398 PolarHBondContact OD1-OH 2.87Å
184	I	85.6	Confident	77.8	Confident	12 Å²	12	26.7 Å²	26.7	6%	0.062	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	165.5	176.1	59.4	155.6	0	0	0	111.2	F149 L164 Q179 H182 Y267 T268	F149-I184 HydrophobicContact CE1-CD1 3.82Å; F149-I184 HydrophobicContact CE1-CG2 4.38Å; F149-I184 HydrophobicContact CZ-CD1 3.94Å; L164-I184 HydrophobicContact CD1-CD1 4.24Å; L164-I184 HydrophobicContact CD2-CD1 3.96Å; Q179-I184 CarbonylContact C-O 3.41Å; Q179-I184 HydrophobicContact CB-CG1 4.3Å; Q179-I184 VanDerWaalsContact CB-O 3.26Å; Q179-I184 WeakPolarHBondContact CB-O 3.39Å; Q179-I184 HydrophobicContact CG-CD1 4.23Å; Q179-I184 HydrophobicContact CG-CG1 4.11Å; Q179-I184 PolarHBondContact O-N 3.36Å; H182-I184 VanDerWaalsContact C-N 3.29Å; H182-I184 HydrophobicContact CB-CG1 4.24Å; H182-I184 PolarHBondContact O-N 2.8Å; I184-Y267 HydrophobicContact CB-CD2 3.8Å; I184-Y267 HydrophobicContact CB-CG 4.4Å; I184-Y267 HydrophobicContact CD1-CD2 4.2Å; I184-Y267 HydrophobicContact CD1-CG 4.09Å; I184-Y267 HydrophobicContact CG2-CD2 3.49Å; I184-Y267 VanDerWaalsContact CG2-CD2 3.49Å; I184-Y267 HydrophobicContact CG2-CE2 3.72Å; I184-Y267 HydrophobicContact CG2-CG 4.45Å; I184-T268 CarbonylContact C-O 3.56Å; I184-T268 VanDerWaalsContact CA-O 3.24Å; I184-T268 WeakPolarHBondContact CA-O 3.48Å; I184-T268 WeakPolarHBondContact CB-O 2.85Å
185	E	83.2	Confident	76.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.8	170.2	67	-174	-152.8	0	0	111.3	Y267 T268 I270 T271 R365 W454	E185-Y267 CarbonylContact O-C 3.54Å; E185-Y267 VanDerWaalsContact O-CA 3.3Å; E185-Y267 WeakPolarHBondContact O-CA 3.47Å; E185-T268 PolarHBondContact N-O 3.36Å; E185-T268 PolarHBondContact O-N 3.4Å; E185-T268 PolarHBondContact O-OG1 2.71Å; E185-I270 HydrophobicContact CB-CG1 4.46Å; E185-T271 PolarHBondContact OE1-OG1 2.7Å; E185-T271 PolarHBondContact OE2-N 3.1Å; E185-T271 PolarHBondContact OE2-OG1 3.26Å; E185-R365 IonicContact OE1-CZ 2.76Å; E185-R365 IonicContact OE1-NE 3.25Å; E185-R365 IonicContact OE1-NH2 3.86Å; E185-R365 PolarHBondContact OE1-NH2 2.99Å; E185-W454 HydrophobicContact CB-CZ2 3.76Å
186	I	86.8	Confident	75.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.			trans	-86.2	132.1	161.2	-64.3	148.6	0	0	0	107.1	L175 Q188 Y189 L222 E225 L265 R266 W454	L175-I186 HydrophobicContact CD1-CD1 3.93Å; L175-I186 HydrophobicContact CD2-CD1 3.62Å; L175-I186 HydrophobicContact CG-CD1 4.23Å; I186-Q188 PolarHBondContact O-N 2.9Å; I186-Y189 WeakPolarHBondContact O-CE1 3.22Å; I186-L222 HydrophobicContact CG2-CD1 3.89Å; I186-E225 HydrophobicContact CG2-CB 4.08Å; I186-E225 HydrophobicContact CG2-CG 3.95Å; I186-L265 HydrophobicContact CD1-CB 4.13Å; I186-L265 HydrophobicContact CD1-CD1 3.53Å; I186-L265 HydrophobicContact CD1-CG 4.48Å; I186-L265 HydrophobicContact CG1-CB 4.24Å; I186-L265 HydrophobicContact CG1-CD1 4.35Å; I186-R266 WeakPolarHBondContact CG1-O 3.49Å; I186-W454 HydrophobicContact CB-CH2 4.09Å
187	N	84.6	Confident	75.6	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.027	16%	0.156	C	C	.	.	S	Bend	trans	-68.1	-37.2	-170.8	-73.7	-46.6	0	0	0	113.5	Y189 I211 S216 A217 T268 R365	N187-Y189 WeakPolarHBondContact O-CE2 3.36Å; N187-I211 WeakPolarHBondContact O-CG1 3.28Å; N187-S216 PolarHBondContact ND2-O 3.08Å; N187-S216 PolarHBondContact ND2-OG 2.93Å; N187-S216 PolarHBondContact OD1-OG 3.13Å; N187-A217 HydrophobicContact CB-CB 4.12Å; N187-T268 PolarHBondContact OD1-OG1 3Å; N187-T268 VanDerWaalsContact OD1-OG1 3.06Å; N187-R365 PolarHBondContact OD1-NH2 3.38Å
188	Q	83.2	Confident	75.9	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-94.7	135.7	177.7	-166.4	53.9	-77.9	0	0	110.7	I186 I211 A217 G219 C221 L222 E225	I186-Q188 PolarHBondContact O-N 2.9Å; Q188-I211 PolarHBondContact NE2-O 3.43Å; Q188-I211 VanDerWaalsContact NE2-O 3.15Å; Q188-A217 HydrophobicContact CB-CB 4.12Å; Q188-G219 PolarHBondContact NE2-O 3.35Å; Q188-C221 VanDerWaalsContact CG-C 3.49Å; Q188-L222 WeakPolarHBondContact O-CD1 3.46Å; Q188-E225 HydrophobicContact CB-CG 3.7Å
189	Y	75.4	Confident	75.9	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.02	13%	0.134	C	C	.	.			trans	-106.9	151.5	-176.7	-53.6	-58.3	0	0	0	110.8	I186 N187 G209 I211 P453 W454	I186-Y189 WeakPolarHBondContact O-CE1 3.22Å; N187-Y189 WeakPolarHBondContact O-CE2 3.36Å; Y189-G209 WeakPolarHBondContact O-CA 3.48Å; Y189-I211 HydrophobicContact CD2-CD1 3.5Å; Y189-I211 VanDerWaalsContact CD2-CD1 3.5Å; Y189-I211 HydrophobicContact CD2-CG1 3.4Å; Y189-I211 VanDerWaalsContact CD2-CG1 3.4Å; Y189-I211 HydrophobicContact CE2-CD1 3.46Å; Y189-I211 VanDerWaalsContact CE2-CD1 3.46Å; Y189-I211 HydrophobicContact CE2-CG1 3.38Å; Y189-P453 HydrophobicContact CD2-CB 4.21Å; Y189-P453 HydrophobicContact CE1-CB 4.18Å; Y189-P453 HydrophobicContact CE2-CB 3.35Å; Y189-P453 HydrophobicContact CE2-CG 4.11Å; Y189-P453 WeakPolarHBondContact OH-CB 3.18Å; Y189-P453 VanDerWaalsContact OH-CG 3.29Å; Y189-P453 WeakPolarHBondContact OH-CG 3.1Å; Y189-W454 HydrophobicContact CD1-CD2 4.08Å; Y189-W454 AromaticContact CD1-CE3 3.56Å; Y189-W454 HydrophobicContact CD1-CE3 3.56Å; Y189-W454 AromaticContact CD1-CH2 3.51Å; Y189-W454 HydrophobicContact CD1-CH2 3.51Å; Y189-W454 HydrophobicContact CD1-CZ2 4.04Å; Y189-W454 AromaticContact CD1-CZ3 3.29Å; Y189-W454 HydrophobicContact CD1-CZ3 3.29Å; Y189-W454 AromaticContact CE1-CD2 3.87Å; Y189-W454 HydrophobicContact CE1-CD2 3.87Å; Y189-W454 AromaticContact CE1-CE2 3.69Å; Y189-W454 AromaticContact CE1-CE3 3.81Å; Y189-W454 HydrophobicContact CE1-CE3 3.81Å; Y189-W454 AromaticContact CE1-CH2 3.32Å; Y189-W454 HydrophobicContact CE1-CH2 3.32Å; Y189-W454 AromaticContact CE1-CZ2 3.4Å; Y189-W454 HydrophobicContact CE1-CZ2 3.4Å; Y189-W454 AromaticContact CE1-CZ3 3.59Å; Y189-W454 HydrophobicContact CE1-CZ3 3.59Å
190	V	66.3	Low	75.9	Confident	20 Å²	20	26.7 Å²	26.7	12%	0.121	14%	0.137	C	C	.	.			trans	-87.1	127	172.6	-172.2	0	0	0	0	108.6	T192 Q207 L222	V190-T192 HydrophobicContact CB-CG2 4.26Å; V190-T192 HydrophobicContact CG1-CG2 4.16Å; V190-T192 PolarHBondContact O-N 3.27Å; V190-Q207 HydrophobicContact CG1-CB 4.14Å; V190-L222 HydrophobicContact CG2-CB 4.17Å; V190-L222 HydrophobicContact CG2-CD2 3.36Å; V190-L222 HydrophobicContact CG2-CG 4.27Å
191	D	62.5	Low	76	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.011	15%	0.149	C	C	.	.			trans	-76.6	72.6	164.2	-170.2	41.8	0	0	0	109.8	I210 K470 R511	D191-I210 HydrophobicContact CB-CD1 3.94Å; D191-I210 HydrophobicContact CB-CG1 3.92Å; D191-K470 IonicContact OD2-NZ 2.68Å; D191-K470 PolarHBondContact OD2-NZ 3.06Å; D191-R511 IonicContact OD1-CZ 3.26Å; D191-R511 VanDerWaalsContact OD1-CZ 3.27Å; D191-R511 IonicContact OD1-NH1 3.79Å; D191-R511 PolarHBondContact OD1-NH1 3.04Å; D191-R511 IonicContact OD1-NH2 3.21Å; D191-R511 PolarHBondContact OD1-NH2 3.44Å; D191-R511 IonicContact OD2-CZ 2.7Å; D191-R511 IonicContact OD2-NH1 2.7Å; D191-R511 PolarHBondContact OD2-NH1 3.1Å
192	T	58.8	Low	75.9	Confident	8 Å²	8	22 Å²	22	5%	0.049	12%	0.119	C	C	.	.			trans	-104.3	139.7	176.8	-178	0	0	0	0	110.4	I172 V190 S194 F459	I172-T192 HydrophobicContact CD1-CG2 3.35Å; I172-T192 HydrophobicContact CG2-CG2 4.31Å; V190-T192 HydrophobicContact CB-CG2 4.26Å; V190-T192 HydrophobicContact CG1-CG2 4.16Å; V190-T192 PolarHBondContact O-N 3.27Å; T192-S194 VanDerWaalsContact C-N 3.35Å; T192-S194 PolarHBondContact OG1-N 3.29Å; T192-S194 VanDerWaalsContact OG1-N 3.14Å; T192-S194 PolarHBondContact OG1-O 3.41Å; T192-F459 WeakPolarHBondContact O-CD2 3.06Å; T192-F459 VanDerWaalsContact O-CE2 3.27Å; T192-F459 WeakPolarHBondContact O-CE2 2.94Å
193	Y	54.3	Low	75.8	Confident	18 Å²	18	18.2 Å²	18.2	7%	0.071	10%	0.101	C	C	.	.	S	Bend	trans	-88.6	-10.3	173.4	-54.2	-83.2	0	0	0	111.8	F459 F462 I468 E584	Y193-F459 HydrophobicContact CD1-CD1 4.12Å; Y193-F459 HydrophobicContact CD1-CD2 4.14Å; Y193-F459 AromaticContact CD1-CE1 3.86Å; Y193-F459 HydrophobicContact CD1-CE1 3.86Å; Y193-F459 AromaticContact CD1-CE2 3.88Å; Y193-F459 HydrophobicContact CD1-CE2 3.88Å; Y193-F459 HydrophobicContact CD1-CG 4.24Å; Y193-F459 AromaticContact CD1-CZ 3.73Å; Y193-F459 HydrophobicContact CD1-CZ 3.73Å; Y193-F459 AromaticContact CE1-CE1 3.86Å; Y193-F459 HydrophobicContact CE1-CE1 3.86Å; Y193-F459 HydrophobicContact CE1-CE2 4.21Å; Y193-F459 AromaticContact CE1-CZ 3.66Å; Y193-F459 HydrophobicContact CE1-CZ 3.66Å; Y193-F462 AromaticContact CD1-CE2 3.88Å; Y193-F462 HydrophobicContact CD1-CE2 3.88Å; Y193-F462 AromaticContact CD1-CZ 3.94Å; Y193-F462 HydrophobicContact CD1-CZ 3.94Å; Y193-F462 HydrophobicContact CG-CE2 4.28Å; Y193-I468 HydrophobicContact CD1-CD1 4.24Å; Y193-I468 HydrophobicContact CD2-CD1 3.77Å; Y193-I468 HydrophobicContact CE1-CD1 3.93Å; Y193-I468 HydrophobicContact CE2-CD1 3.43Å; Y193-I468 VanDerWaalsContact CE2-CD1 3.43Å; Y193-I468 HydrophobicContact CG-CD1 4.16Å; Y193-E584 WeakPolarHBondContact CB-OE2 3.29Å; Y193-E584 WeakPolarHBondContact CD2-OE1 3.19Å
194	S	60.7	Low	75.8	Confident	11 Å²	11	16.2 Å²	16.2	8%	0.077	9%	0.091	C	C	.	.			trans	-121.1	110.2	177.2	166.8	0	0	0	0	110.7	T192 Q196 D197	T192-S194 VanDerWaalsContact C-N 3.35Å; T192-S194 PolarHBondContact OG1-N 3.29Å; T192-S194 VanDerWaalsContact OG1-N 3.14Å; T192-S194 PolarHBondContact OG1-O 3.41Å; S194-Q196 PolarHBondContact O-N 2.82Å; S194-Q196 PolarHBondContact OG-N 2.8Å; S194-D197 WeakPolarHBondContact CB-OD1 3.07Å; S194-D197 WeakPolarHBondContact O-CB 3.43Å; S194-D197 PolarHBondContact O-N 2.97Å; S194-D197 PolarHBondContact OG-OD1 3.19Å
195	I	65.4	Low	75.1	Confident	69 Å²	69	18 Å²	18	35%	0.354	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12	171.9	60.9	169.6	0	0	0	112.8	N173 D197	N173-I195 HydrophobicContact CB-CB 4.34Å; N173-I195 WeakPolarHBondContact CB-O 3.29Å; N173-I195 PolarHBondContact N-O 2.6Å; I195-D197 VanDerWaalsContact C-N 3.31Å
196	Q	67.4	Low	74.5	Confident	99 Å²	99	18.4 Å²	18.4	46%	0.463	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.1	177.2	-61.9	-171	-23.3	0	0	112.5	H119 S194	H119-Q196 WeakPolarHBondContact CB-O 3.37Å; S194-Q196 PolarHBondContact O-N 2.82Å; S194-Q196 PolarHBondContact OG-N 2.8Å
197	D	75.9	Confident	73.6	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.032	11%	0.111	C	C	.	.	S	Bend	trans	-66.3	148.5	-179.4	-70.9	14.5	0	0	0	111.3	S121 T171 I172 S194 I195	S121-D197 WeakPolarHBondContact CB-OD1 3.31Å; S121-D197 PolarHBondContact OG-OD1 3.28Å; S121-D197 PolarHBondContact OG-OD2 3.45Å; T171-D197 CarbonylContact C-O 3.57Å; T171-D197 WeakPolarHBondContact CA-O 3.45Å; I172-D197 HydrophobicContact CD1-CB 3.76Å; I172-D197 WeakPolarHBondContact CG1-O 3.15Å; I172-D197 PolarHBondContact N-O 2.54Å; S194-D197 WeakPolarHBondContact CB-OD1 3.07Å; S194-D197 WeakPolarHBondContact O-CB 3.43Å; S194-D197 PolarHBondContact O-N 2.97Å; S194-D197 PolarHBondContact OG-OD1 3.19Å; I195-D197 VanDerWaalsContact C-N 3.31Å
198	T	85.2	Confident	73	Confident	5 Å²	5	19 Å²	19	3%	0.031	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-77.8	142.1	174.9	57.1	0	0	0	0	110.9	S168 V170 V200 G201 S202	S168-T198 WeakPolarHBondContact O-CB 3.35Å; V170-T198 WeakPolarHBondContact O-CA 3.45Å; T198-V200 VanDerWaalsContact C-N 3.29Å; T198-V200 PolarHBondContact O-N 3.45Å; T198-G201 PolarHBondContact O-N 3.2Å; T198-G201 VanDerWaalsContact O-N 3.1Å; T198-G201 PolarHBondContact OG1-N 3.03Å; T198-S202 PolarHBondContact O-N 2.68Å; T198-S202 VanDerWaalsContact O-N 3.09Å; T198-S202 PolarHBondContact O-OG 3.48Å
199	I	86.7	Confident	72.7	Confident	5 Å²	5	19 Å²	19	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-42.1	177.1	-69.4	-71.1	0	0	0	111.7	L166 V170 I172 L175 G201 S202 I203 L222 L265	L166-I199 HydrophobicContact CD1-CB 4.48Å; L166-I199 HydrophobicContact CD1-CG2 3.88Å; V170-I199 PolarHBondContact O-N 2.97Å; I172-I199 HydrophobicContact CB-CD1 4.26Å; I172-I199 HydrophobicContact CG1-CD1 3.46Å; I172-I199 VanDerWaalsContact CG1-CD1 3.46Å; I172-I199 HydrophobicContact CG1-CG1 4.09Å; L175-I199 HydrophobicContact CB-CD1 4.41Å; L175-I199 HydrophobicContact CB-CG1 4.26Å; L175-I199 HydrophobicContact CD2-CD1 3.3Å; L175-I199 HydrophobicContact CD2-CG1 3.69Å; L175-I199 HydrophobicContact CG-CD1 4.49Å; I199-G201 VanDerWaalsContact C-N 3.33Å; I199-G201 PolarHBondContact O-N 3.24Å; I199-S202 WeakPolarHBondContact O-CB 3.46Å; I199-S202 PolarHBondContact O-N 2.72Å; I199-S202 VanDerWaalsContact O-N 3.12Å; I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.12Å; I199-I203 PolarHBondContact O-N 3.36Å; I199-L222 HydrophobicContact CD1-CD2 4.48Å; I199-L222 HydrophobicContact CG2-CD2 4.13Å; I199-L265 HydrophobicContact CG2-CD1 4.05Å
200	V	87.7	Confident	72.8	Confident	10 Å²	10	19 Å²	19	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-40.3	176.4	170.2	0	0	0	0	111.8	T198 S202 I203 L204 V260 V263	T198-V200 VanDerWaalsContact C-N 3.29Å; T198-V200 PolarHBondContact O-N 3.45Å; V200-S202 VanDerWaalsContact C-N 3.28Å; V200-S202 PolarHBondContact O-N 2.91Å; V200-I203 PolarHBondContact O-N 3.47Å; V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 WeakPolarHBondContact O-CB 3.22Å; V200-L204 WeakPolarHBondContact O-CG 3Å; V200-L204 PolarHBondContact O-N 2.93Å; V200-V260 HydrophobicContact CG1-CB 3.7Å; V200-V260 HydrophobicContact CG1-CG1 3.61Å; V200-V260 HydrophobicContact CG1-CG2 4.36Å; V200-V260 HydrophobicContact CG2-CG1 4.12Å; V200-V263 HydrophobicContact CG2-CB 4.48Å; V200-V263 HydrophobicContact CG2-CG1 3.9Å; V200-V263 HydrophobicContact CG2-CG2 3.83Å
201	G	80.5	Confident	73.6	Confident	31 Å²	31	18.1 Å²	18.1	32%	0.32	10%	0.104	S	C	.	.	H	α-helix	trans	-60.1	-39	173.6	0	0	0	0	0	112.6	T198 I199 S205	T198-G201 PolarHBondContact O-N 3.2Å; T198-G201 VanDerWaalsContact O-N 3.1Å; T198-G201 PolarHBondContact OG1-N 3.03Å; I199-G201 VanDerWaalsContact C-N 3.33Å; I199-G201 PolarHBondContact O-N 3.24Å; G201-S205 WeakPolarHBondContact O-CB 3.26Å; G201-S205 PolarHBondContact O-N 2.87Å; G201-S205 PolarHBondContact O-OG 2.72Å
202	S	78.3	Confident	74.4	Confident	2 Å²	2	18 Å²	18	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-39.7	177.1	-57.7	0	0	0	0	112.6	T198 I199 V200 S205 T206 Q207	T198-S202 PolarHBondContact O-N 2.68Å; T198-S202 VanDerWaalsContact O-N 3.09Å; T198-S202 PolarHBondContact O-OG 3.48Å; I199-S202 WeakPolarHBondContact O-CB 3.46Å; I199-S202 PolarHBondContact O-N 2.72Å; I199-S202 VanDerWaalsContact O-N 3.12Å; V200-S202 VanDerWaalsContact C-N 3.28Å; V200-S202 PolarHBondContact O-N 2.91Å; S202-S205 PolarHBondContact O-OG 3.43Å; S202-T206 PolarHBondContact O-N 3.45Å; S202-Q207 PolarHBondContact O-N 2.68Å
203	I	83.1	Confident	75.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-50.8	175	-69.1	167.4	0	0	0	110.2	I199 V200 S205 T206 L222 T223 V226 V251 V263 L265	I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.12Å; I199-I203 PolarHBondContact O-N 3.36Å; V200-I203 PolarHBondContact O-N 3.47Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.07Å; I203-T206 PolarHBondContact O-N 3.2Å; I203-L222 HydrophobicContact CD1-CD2 4.27Å; I203-L222 HydrophobicContact CG1-CD2 3.71Å; I203-L222 HydrophobicContact CG1-CG 3.93Å; I203-T223 HydrophobicContact CB-CG2 4.28Å; I203-T223 HydrophobicContact CG2-CG2 3.69Å; I203-T223 WeakPolarHBondContact O-CG2 3.36Å; I203-V226 HydrophobicContact CD1-CG2 4.05Å; I203-V226 HydrophobicContact CG1-CG2 4.5Å; I203-V226 HydrophobicContact CG2-CG2 4.1Å; I203-V251 HydrophobicContact CG2-CG1 4.24Å; I203-V263 HydrophobicContact CD1-CB 4.23Å; I203-V263 HydrophobicContact CD1-CG1 4.12Å; I203-V263 HydrophobicContact CD1-CG2 3.82Å; I203-L265 HydrophobicContact CD1-CD2 4.03Å
204	L	79.6	Confident	76.7	Confident	32 Å²	32	22.1 Å²	22.1	17%	0.168	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-24.3	-176	-69	179.4	0	0	0	114	V200 L254 V260	V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 WeakPolarHBondContact O-CB 3.22Å; V200-L204 WeakPolarHBondContact O-CG 3Å; V200-L204 PolarHBondContact O-N 2.93Å; L204-L254 VanDerWaalsContact O-CD2 3.29Å; L204-L254 WeakPolarHBondContact O-CD2 3.33Å; L204-V260 HydrophobicContact CD1-CB 4.4Å; L204-V260 HydrophobicContact CD1-CG2 3.79Å; L204-V260 HydrophobicContact CD2-CG2 3.99Å; L204-V260 HydrophobicContact CG-CG2 4.29Å
205	S	71.8	Confident	77.4	Confident	48 Å²	48	22.1 Å²	22.1	34%	0.336	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.4	172.2	54.3	0	0	0	0	113.1	G201 S202 I203 Q207	G201-S205 WeakPolarHBondContact O-CB 3.26Å; G201-S205 PolarHBondContact O-N 2.87Å; G201-S205 PolarHBondContact O-OG 2.72Å; S202-S205 PolarHBondContact O-OG 3.43Å; I203-S205 VanDerWaalsContact C-N 3.32Å; I203-S205 PolarHBondContact O-N 3.07Å; S205-Q207 PolarHBondContact O-N 3.46Å; S205-Q207 WeakPolarHBondContact OG-CG 3.42Å; S205-Q207 PolarHBondContact OG-NE2 2.82Å; S205-Q207 VanDerWaalsContact OG-NE2 3.1Å
206	T	69.8	Low	78.2	Confident	9 Å²	9	21.4 Å²	21.4	6%	0.055	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.2	179	49.7	0	0	0	0	112.5	S202 I203 L254 L524	S202-T206 PolarHBondContact O-N 3.45Å; I203-T206 PolarHBondContact O-N 3.2Å; T206-L254 HydrophobicContact CG2-CD2 4.47Å; T206-L524 WeakPolarHBondContact O-CD2 3.35Å; T206-L524 WeakPolarHBondContact OG1-CD2 3.29Å
207	Q	69.1	Low	78.9	Confident	18 Å²	18	17.4 Å²	17.4	8%	0.084	12%	0.121	C	C	.	.			trans	-60.2	132.3	-178	-76.8	176.6	34.5	0	0	110.1	V190 S202 S205 C221	V190-Q207 HydrophobicContact CG1-CB 4.14Å; S202-Q207 PolarHBondContact O-N 2.68Å; S205-Q207 PolarHBondContact O-N 3.46Å; S205-Q207 WeakPolarHBondContact OG-CG 3.42Å; S205-Q207 PolarHBondContact OG-NE2 2.82Å; S205-Q207 VanDerWaalsContact OG-NE2 3.1Å; Q207-C221 WeakPolarHBondContact O-CB 3.3Å
208	P	71.8	Confident	79.2	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.006	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-63.9	149.1	177.6	26.5	-32.8	0	0	0	110.3	K470 H544	P208-K470 HydrophobicContact CG-CD 4.45Å; P208-K470 VanDerWaalsContact CG-CE 3.46Å; P208-K470 VanDerWaalsContact CG-NZ 3.34Å; P208-H544 WeakPolarHBondContact CB-CE1 3.44Å; P208-H544 VanDerWaalsContact CB-ND1 3.28Å; P208-H544 WeakPolarHBondContact CB-ND1 3.29Å
209	G	77.1	Confident	79.1	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.138	C	C	.	.			trans	-82.2	-165	177.7	0	0	0	0	0	112.9	Y189 G220 T515	Y189-G209 WeakPolarHBondContact O-CA 3.48Å; G209-G220 WeakPolarHBondContact CA-O 3.28Å; G209-G220 PolarHBondContact N-O 3.21Å; G209-T515 VanDerWaalsContact O-CG2 3.23Å; G209-T515 WeakPolarHBondContact O-CG2 3.44Å
210	I	78	Confident	78.7	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-130	-21	-176.3	-54.4	174.8	0	0	0	111.2	D191 S302 N457	D191-I210 HydrophobicContact CB-CD1 3.94Å; D191-I210 HydrophobicContact CB-CG1 3.92Å; I210-S302 WeakPolarHBondContact O-CB 3.4Å; I210-N457 HydrophobicContact CD1-CB 4.18Å; I210-N457 WeakPolarHBondContact CD1-ND2 2.99Å
211	I	81.3	Confident	78.4	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-84.4	126.6	-179.1	-61.9	-38.2	0	0	0	111	N187 Q188 Y189 A217 Q301	N187-I211 WeakPolarHBondContact O-CG1 3.28Å; Q188-I211 PolarHBondContact NE2-O 3.43Å; Q188-I211 VanDerWaalsContact NE2-O 3.15Å; Y189-I211 HydrophobicContact CD2-CD1 3.5Å; Y189-I211 VanDerWaalsContact CD2-CD1 3.5Å; Y189-I211 HydrophobicContact CD2-CG1 3.4Å; Y189-I211 VanDerWaalsContact CD2-CG1 3.4Å; Y189-I211 HydrophobicContact CE2-CD1 3.46Å; Y189-I211 VanDerWaalsContact CE2-CD1 3.46Å; Y189-I211 HydrophobicContact CE2-CG1 3.38Å; I211-A217 HydrophobicContact CB-CB 3.94Å; I211-A217 HydrophobicContact CG2-CB 3.63Å; I211-Q301 HydrophobicContact CD1-CG 3.94Å; I211-Q301 HydrophobicContact CG2-CG 4.03Å
212	G	81	Confident	78.5	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.			trans	-78.8	178.2	178.9	0	0	0	0	0	113.4	S214 G215 Q301	G212-S214 PolarHBondContact O-N 2.95Å; G212-G215 PolarHBondContact O-N 3.12Å; G212-Q301 PolarHBondContact N-O 3.34Å
213	P	79.2	Confident	78.8	Confident	58 Å²	58	20.1 Å²	20.1	38%	0.377	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.7	-174.5	-14.2	23.5	0	0	0	114.3	G215 I297 C516 L541	P213-G215 VanDerWaalsContact C-N 3.25Å; P213-I297 HydrophobicContact CG-CG2 4.14Å; P213-C516 HydrophobicContact CB-CB 4.31Å; P213-C516 HydrophobicContact CG-CB 4.32Å; P213-L541 HydrophobicContact CG-CD2 3.29Å
214	S	81	Confident	78.9	Confident	55 Å²	55	20.8 Å²	20.8	39%	0.385	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.6	-179.3	-41.1	0	0	0	0	112	G212 I297 T298 N300	G212-S214 PolarHBondContact O-N 2.95Å; S214-I297 PolarHBondContact OG-O 3.01Å; S214-T298 WeakPolarHBondContact OG-CA 3.34Å; S214-T298 PolarHBondContact OG-O 2.98Å; S214-N300 WeakPolarHBondContact CB-O 3.32Å
215	G	75.5	Confident	79.4	Confident	11 Å²	11	19.3 Å²	19.3	11%	0.113	12%	0.117	C	C	.	.	S	Bend	trans	-77.3	164.1	164.3	0	0	0	0	0	111.4	G212 P213 A217	G212-G215 PolarHBondContact O-N 3.12Å; P213-G215 VanDerWaalsContact C-N 3.25Å; G215-A217 PolarHBondContact O-N 3.39Å
216	S	81.6	Confident	80.3	Confident	54 Å²	54	17.6 Å²	17.6	38%	0.378	11%	0.105	S	C	.	.	S	Bend	trans	-84.7	16.9	178	64.8	0	0	0	0	113.7	N187 R365	N187-S216 PolarHBondContact ND2-O 3.08Å; N187-S216 PolarHBondContact ND2-OG 2.93Å; N187-S216 PolarHBondContact OD1-OG 3.13Å; S216-R365 VanDerWaalsContact OG-CZ 3.28Å; S216-R365 PolarHBondContact OG-NH1 3.37Å; S216-R365 PolarHBondContact OG-NH2 3.19Å; S216-R365 VanDerWaalsContact OG-NH2 3.11Å
217	A	83.5	Confident	81.4	Confident	15 Å²	15	17.7 Å²	17.7	12%	0.124	11%	0.105	C	C	.	.			trans	-68.6	144.5	175.4	0	0	0	0	0	110.3	N187 Q188 I211 G215 G219 E225	N187-A217 HydrophobicContact CB-CB 4.12Å; Q188-A217 HydrophobicContact CB-CB 4.12Å; I211-A217 HydrophobicContact CB-CB 3.94Å; I211-A217 HydrophobicContact CG2-CB 3.63Å; G215-A217 PolarHBondContact O-N 3.39Å; A217-G219 VanDerWaalsContact C-N 3.31Å; A217-G219 PolarHBondContact O-N 3.16Å; A217-E225 WeakPolarHBondContact CA-OE1 3.47Å
218	Y	82	Confident	82.6	Confident	100 Å²	100	16.9 Å²	16.9	39%	0.392	10%	0.101	S	C	.	.	S	Bend	trans	-77.7	-19.3	-176	-149.6	-105.3	0	0	0	113.5	E225 R266	Y218-E225 PolarHBondContact N-OE1 2.86Å; Y218-R266 VanDerWaalsContact CE2-NH1 3.31Å
219	G	81.8	Confident	83.6	Confident	2 Å²	2	16.9 Å²	16.9	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	-172.2	-178.9	-179.8	0	0	0	0	0	112.1	Q188 A217 C221 D224 C516	Q188-G219 PolarHBondContact NE2-O 3.35Å; A217-G219 VanDerWaalsContact C-N 3.31Å; A217-G219 PolarHBondContact O-N 3.16Å; G219-C221 VanDerWaalsContact C-N 3.25Å; G219-C221 PolarHBondContact O-N 2.63Å; G219-D224 WeakPolarHBondContact CA-OD2 3.41Å; G219-C516 WeakPolarHBondContact CA-SG 3.23Å; G219-C516 PolarHBondContact O-SG 3.08Å; G219-C516 VanDerWaalsContact O-SG 3.4Å
220	G	79.9	Confident	84.5	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	-74	-4.2	-170.5	0	0	0	0	0	116.7	G209 D224 T515 C516 G517	G209-G220 WeakPolarHBondContact CA-O 3.28Å; G209-G220 PolarHBondContact N-O 3.21Å; G220-D224 PolarHBondContact N-OD2 3Å; G220-T515 PolarHBondContact O-OG1 3.32Å; G220-C516 WeakPolarHBondContact CA-O 3.31Å; G220-C516 PolarHBondContact N-O 3.46Å; G220-C516 PolarHBondContact N-SG 3.38Å; G220-C516 VanDerWaalsContact N-SG 3.41Å; G220-G517 PolarHBondContact N-O 3.49Å
221	C	80.9	Confident	85.3	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-147	161.5	-176.6	62.2	0	0	0	0	112	Q188 Q207 G219 T223 D224 T518	Q188-C221 VanDerWaalsContact CG-C 3.49Å; Q207-C221 WeakPolarHBondContact O-CB 3.3Å; G219-C221 VanDerWaalsContact C-N 3.25Å; G219-C221 PolarHBondContact O-N 2.63Å; C221-T223 PolarHBondContact O-N 3.32Å; C221-T223 VanDerWaalsContact O-N 3.1Å; C221-T223 PolarHBondContact SG-OG1 3.02Å; C221-D224 PolarHBondContact N-OD2 3.12Å; C221-D224 WeakPolarHBondContact O-CB 3.49Å; C221-D224 PolarHBondContact O-N 3.38Å; C221-D224 PolarHBondContact SG-OD2 3.16Å; C221-T518 PolarHBondContact SG-OG1 3.28Å
222	L	82.9	Confident	86	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.031	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.3	-27.3	-176.1	-176.9	64	0	0	0	112.7	I186 Q188 V190 I199 I203 D224 E225 L265	I186-L222 HydrophobicContact CG2-CD1 3.89Å; Q188-L222 WeakPolarHBondContact O-CD1 3.46Å; V190-L222 HydrophobicContact CG2-CB 4.17Å; V190-L222 HydrophobicContact CG2-CD2 3.36Å; V190-L222 HydrophobicContact CG2-CG 4.27Å; I199-L222 HydrophobicContact CD1-CD2 4.48Å; I199-L222 HydrophobicContact CG2-CD2 4.13Å; I203-L222 HydrophobicContact CD1-CD2 4.27Å; I203-L222 HydrophobicContact CG1-CD2 3.71Å; I203-L222 HydrophobicContact CG1-CG 3.93Å; L222-D224 PolarHBondContact O-N 2.95Å; L222-E225 HydrophobicContact CD1-CB 4.47Å; L222-E225 WeakPolarHBondContact O-CB 2.84Å; L222-E225 PolarHBondContact O-N 3.22Å; L222-E225 VanDerWaalsContact O-N 3.08Å; L222-L265 HydrophobicContact CD1-CD1 4.24Å
223	T	84.7	Confident	86.6	Confident	5 Å²	5	20.3 Å²	20.3	3%	0.031	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-61.9	-27.2	177.5	59.3	0	0	0	0	112.8	I203 C221 E225 V226 V251 N520	I203-T223 HydrophobicContact CB-CG2 4.28Å; I203-T223 HydrophobicContact CG2-CG2 3.69Å; I203-T223 WeakPolarHBondContact O-CG2 3.36Å; C221-T223 PolarHBondContact O-N 3.32Å; C221-T223 VanDerWaalsContact O-N 3.1Å; C221-T223 PolarHBondContact SG-OG1 3.02Å; T223-E225 PolarHBondContact O-N 3.25Å; T223-V226 WeakPolarHBondContact O-CB 3.48Å; T223-V226 WeakPolarHBondContact O-CG2 3.41Å; T223-V226 PolarHBondContact O-N 3.09Å; T223-V251 HydrophobicContact CG2-CB 4.26Å; T223-V251 HydrophobicContact CG2-CG2 4.49Å; T223-N520 PolarHBondContact OG1-ND2 2.94Å
224	D	85.4	Confident	87.2	Confident	14 Å²	14	21 Å²	21	8%	0.075	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-72	-14.9	179	-65.6	-55.1	0	0	0	112.3	G219 G220 C221 L222 T518 N519	G219-D224 WeakPolarHBondContact CA-OD2 3.41Å; G220-D224 PolarHBondContact N-OD2 3Å; C221-D224 PolarHBondContact N-OD2 3.12Å; C221-D224 WeakPolarHBondContact O-CB 3.49Å; C221-D224 PolarHBondContact O-N 3.38Å; C221-D224 PolarHBondContact SG-OD2 3.16Å; L222-D224 PolarHBondContact O-N 2.95Å; D224-T518 VanDerWaalsContact OD2-CB 3.29Å; D224-T518 WeakPolarHBondContact OD2-CB 3.19Å; D224-T518 PolarHBondContact OD2-OG1 3.36Å; D224-N519 PolarHBondContact OD1-ND2 3.31Å
225	E	89	Confident	87.9	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.009	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-87.9	-4.7	173.9	-61.1	-62.4	159.7	0	0	113.1	I186 Q188 A217 Y218 L222 T223 I227 L265 R266	I186-E225 HydrophobicContact CG2-CB 4.08Å; I186-E225 HydrophobicContact CG2-CG 3.95Å; Q188-E225 HydrophobicContact CB-CG 3.7Å; A217-E225 WeakPolarHBondContact CA-OE1 3.47Å; Y218-E225 PolarHBondContact N-OE1 2.86Å; L222-E225 HydrophobicContact CD1-CB 4.47Å; L222-E225 WeakPolarHBondContact O-CB 2.84Å; L222-E225 PolarHBondContact O-N 3.22Å; L222-E225 VanDerWaalsContact O-N 3.08Å; T223-E225 PolarHBondContact O-N 3.25Å; E225-I227 PolarHBondContact O-N 3.09Å; E225-L265 WeakPolarHBondContact O-CA 3.42Å; E225-R266 PolarHBondContact O-N 3.37Å
226	V	91.5	Very high	88.8	Confident	12 Å²	12	24 Å²	24	7%	0.073	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.4	-179.9	-179.3	0	0	0	0	110.5	I203 T223 A228 I229 I247 V251 L265	I203-V226 HydrophobicContact CD1-CG2 4.05Å; I203-V226 HydrophobicContact CG1-CG2 4.5Å; I203-V226 HydrophobicContact CG2-CG2 4.1Å; T223-V226 WeakPolarHBondContact O-CB 3.48Å; T223-V226 WeakPolarHBondContact O-CG2 3.41Å; T223-V226 PolarHBondContact O-N 3.09Å; V226-A228 WeakPolarHBondContact CG1-O 3.17Å; V226-I229 HydrophobicContact CG1-CB 4.41Å; V226-I247 HydrophobicContact CB-CG2 4.16Å; V226-I247 HydrophobicContact CG1-CG2 3.81Å; V226-V251 HydrophobicContact CB-CG1 4.47Å; V226-V251 HydrophobicContact CG1-CG1 4.3Å; V226-V251 HydrophobicContact CG2-CG1 4.38Å; V226-L265 HydrophobicContact CB-CD2 4.32Å; V226-L265 HydrophobicContact CG2-CD2 3.61Å
227	I	92.2	Very high	89.5	Confident	11 Å²	11	24.7 Å²	24.7	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-15.8	177.1	64.6	167.7	0	0	0	113.6	I152 I161 E225 I247 T264 R266	I152-I227 HydrophobicContact CB-CD1 4.45Å; I152-I227 HydrophobicContact CG1-CD1 4.27Å; I161-I227 HydrophobicContact CB-CD1 4.21Å; I161-I227 HydrophobicContact CG2-CD1 3.71Å; I161-I227 HydrophobicContact CG2-CG2 4.4Å; E225-I227 PolarHBondContact O-N 3.09Å; I227-I247 VanDerWaalsContact C-CD1 3.49Å; I227-I247 WeakPolarHBondContact O-CD1 3.12Å; I227-T264 HydrophobicContact CD1-CG2 3.78Å; I227-T264 HydrophobicContact CG1-CG2 3.67Å; I227-T264 WeakPolarHBondContact CG1-O 3.02Å; I227-T264 PolarHBondContact N-O 3.31Å; I227-R266 HydrophobicContact CG2-CB 4.14Å
228	A	93.9	Very high	90.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.9	168.7	0	0	0	0	0	110.4	I152 V226 Y241 T264	I152-A228 HydrophobicContact CD1-CB 4.18Å; I152-A228 HydrophobicContact CG1-CB 4.17Å; I152-A228 HydrophobicContact CG2-CB 4.26Å; V226-A228 WeakPolarHBondContact CG1-O 3.17Å; A228-Y241 CarbonylContact C-O 3.52Å; A228-Y241 VanDerWaalsContact CA-O 3.28Å; A228-Y241 WeakPolarHBondContact CA-O 3.32Å; A228-T264 PolarHBondContact N-O 2.99Å; A228-T264 PolarHBondContact O-N 3.26Å
229	I	93.9	Very high	90.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.9	174.4	-174.7	166.7	0	0	0	110	V226 I231 Y241 A250 V251 V260 V263	V226-I229 HydrophobicContact CG1-CB 4.41Å; I229-I231 HydrophobicContact CD1-CD1 4.32Å; I229-I231 HydrophobicContact CD1-CG1 4.39Å; I229-I231 HydrophobicContact CG1-CD1 4.43Å; I229-I231 HydrophobicContact CG1-CG1 4.07Å; I229-Y241 HydrophobicContact CG2-CD2 4.17Å; I229-Y241 HydrophobicContact CG2-CG 4.46Å; I229-Y241 PolarHBondContact N-O 3.27Å; I229-Y241 PolarHBondContact O-N 2.83Å; I229-A250 HydrophobicContact CG2-CB 3.74Å; I229-V251 HydrophobicContact CD1-CG1 4.22Å; I229-V260 HydrophobicContact CD1-CG1 3.91Å; I229-V260 HydrophobicContact CD1-CG2 3.85Å; I229-V260 HydrophobicContact CG1-CG1 3.91Å; I229-V260 HydrophobicContact CG1-CG2 4.46Å; I229-V263 HydrophobicContact CB-CG1 4.49Å; I229-V263 HydrophobicContact CD1-CG1 4Å; I229-V263 HydrophobicContact CG1-CG1 3.94Å
230	R	94.8	Very high	91.4	Very high	53 Å²	53	28 Å²	28	20%	0.2	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.2	176.4	-60.3	-165.6	-66	171.3	0.8	110.6	L238 I239 E240 Y261 D262	R230-L238 HydrophobicContact CB-CD1 3.84Å; R230-L238 HydrophobicContact CB-CG 4.21Å; R230-I239 CarbonylContact C-O 3.46Å; R230-I239 VanDerWaalsContact CA-O 3.27Å; R230-I239 WeakPolarHBondContact CA-O 3.27Å; R230-E240 HydrophobicContact CG-CB 3.9Å; R230-E240 HydrophobicContact CG-CG 3.91Å; R230-Y261 PolarHBondContact O-N 2.95Å; R230-D262 IonicContact CZ-OD1 3.42Å; R230-D262 IonicContact CZ-OD2 2.8Å; R230-D262 PolarHBondContact N-O 2.99Å; R230-D262 IonicContact NE-OD1 2.98Å; R230-D262 PolarHBondContact NE-OD1 3.4Å; R230-D262 IonicContact NE-OD2 2.69Å; R230-D262 PolarHBondContact NE-OD2 2.7Å; R230-D262 IonicContact NH2-OD1 3.64Å; R230-D262 IonicContact NH2-OD2 2.98Å; R230-D262 PolarHBondContact NH2-OD2 2.57Å
231	I	95.6	Very high	91.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.3	-174.8	-58.1	-178.6	0	0	0	109.2	I229 N233 I239 Y241 A250 L257 V259 V260	I229-I231 HydrophobicContact CD1-CD1 4.32Å; I229-I231 HydrophobicContact CD1-CG1 4.39Å; I229-I231 HydrophobicContact CG1-CD1 4.43Å; I229-I231 HydrophobicContact CG1-CG1 4.07Å; I231-N233 PolarHBondContact O-N 3.19Å; I231-I239 PolarHBondContact N-O 2.96Å; I231-I239 PolarHBondContact O-N 3.46Å; I231-Y241 HydrophobicContact CB-CE2 4.13Å; I231-Y241 HydrophobicContact CD1-CD2 4.2Å; I231-Y241 HydrophobicContact CD1-CE2 3.93Å; I231-Y241 HydrophobicContact CG1-CD2 4.34Å; I231-Y241 HydrophobicContact CG1-CE2 4.14Å; I231-A250 HydrophobicContact CD1-CB 4.07Å; I231-L257 HydrophobicContact CD1-CB 4.18Å; I231-L257 HydrophobicContact CD1-CD1 4.46Å; I231-V259 CarbonylContact C-O 3.57Å; I231-V259 WeakPolarHBondContact CA-O 3.39Å; I231-V260 HydrophobicContact CD1-CG2 4.43Å; I231-V260 HydrophobicContact CG1-CG2 4.17Å
232	V	96.2	Very high	92.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	110.8	168.1	-165.1	0	0	0	0	108.5	Y97 I100 I104 D237 L238 G258 V259	Y97-V232 HydrophobicContact CD2-CG2 3.85Å; Y97-V232 HydrophobicContact CE2-CG1 4.11Å; Y97-V232 HydrophobicContact CE2-CG2 3.91Å; I100-V232 HydrophobicContact CG2-CB 4.09Å; I100-V232 HydrophobicContact CG2-CG1 4.21Å; I100-V232 HydrophobicContact CG2-CG2 3.91Å; I104-V232 HydrophobicContact CD1-CB 3.77Å; I104-V232 HydrophobicContact CD1-CG1 3.44Å; I104-V232 VanDerWaalsContact CD1-CG1 3.44Å; V232-D237 WeakPolarHBondContact CA-O 3.19Å; V232-L238 HydrophobicContact CG2-CD1 3.91Å; V232-G258 WeakPolarHBondContact O-CA 3.42Å; V232-V259 HydrophobicContact CB-CB 4.43Å; V232-V259 PolarHBondContact N-O 2.93Å; V232-V259 PolarHBondContact O-N 3Å; V232-V259 VanDerWaalsContact O-N 3.13Å
233	N	93.8	Very high	92.6	Very high	23 Å²	23	31.7 Å²	31.7	12%	0.123	16%	0.156	C	C	.	.			trans	-76.8	-178.3	-176.8	74.1	7	0	0	0	112.2	I104 I231 Y235 G236 D237 I239	I104-N233 WeakPolarHBondContact CG2-O 3.29Å; I231-N233 PolarHBondContact O-N 3.19Å; N233-Y235 PolarHBondContact O-N 3.23Å; N233-Y235 VanDerWaalsContact O-N 3.14Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.4Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.38Å; N233-Y235 PolarHBondContact OD1-N 2.83Å; N233-G236 PolarHBondContact O-N 3.47Å; N233-G236 PolarHBondContact OD1-N 3.4Å; N233-D237 PolarHBondContact N-O 2.79Å; N233-D237 PolarHBondContact OD1-N 3.36Å; N233-D237 PolarHBondContact OD1-O 3.22Å; N233-I239 HydrophobicContact CB-CD1 4.03Å; N233-I239 VanDerWaalsContact ND2-CD1 3.28Å; N233-I239 WeakPolarHBondContact ND2-CD1 3.25Å
234	C	91.9	Very high	92.5	Very high	72 Å²	72	36.6 Å²	36.6	49%	0.486	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.5	178.6	66.5	0	0	0	0	115.3	R108 G236	R108-C234 WeakPolarHBondContact CD-O 3.47Å; C234-G236 VanDerWaalsContact C-N 3.31Å
235	Y	95	Very high	92.4	Very high	131 Å²	131	43.7 Å²	43.7	51%	0.514	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6	172.9	-61.2	-91.8	0	0	0	112.2	R105 N233 D237	R105-Y235 VanDerWaalsContact CG-O 3.26Å; R105-Y235 WeakPolarHBondContact CG-O 3.37Å; R105-Y235 PolarHBondContact NE-O 2.89Å; N233-Y235 PolarHBondContact O-N 3.23Å; N233-Y235 VanDerWaalsContact O-N 3.14Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.4Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.38Å; N233-Y235 PolarHBondContact OD1-N 2.83Å; Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 WeakPolarHBondContact CB-OD2 3.48Å
236	G	94.5	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	77.6	18	-171.6	0	0	0	0	0	112.7	Y97 S101 N233 C234	Y97-G236 PolarHBondContact OH-O 3.19Å; S101-G236 VanDerWaalsContact CB-O 3.29Å; S101-G236 WeakPolarHBondContact CB-O 3.27Å; S101-G236 PolarHBondContact OG-O 3.06Å; N233-G236 PolarHBondContact O-N 3.47Å; N233-G236 PolarHBondContact OD1-N 3.4Å; C234-G236 VanDerWaalsContact C-N 3.31Å
237	D	97	Very high	92.2	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.364	23%	0.226	S	C	.	.			trans	-98.4	138.8	-179.6	-55.5	-32.7	0	0	0	110.1	R105 V232 N233 Y235 I239	R105-D237 IonicContact NH2-OD1 2.82Å; R105-D237 PolarHBondContact NH2-OD1 2.88Å; V232-D237 WeakPolarHBondContact CA-O 3.19Å; N233-D237 PolarHBondContact N-O 2.79Å; N233-D237 PolarHBondContact OD1-N 3.36Å; N233-D237 PolarHBondContact OD1-O 3.22Å; Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 WeakPolarHBondContact CB-OD2 3.48Å; D237-I239 PolarHBondContact O-N 3.32Å
238	L	96.4	Very high	91.6	Very high	54 Å²	54	49.9 Å²	49.9	28%	0.283	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.8	177.4	-170.2	66.2	0	0	0	110.5	Y97 R230 V232 Y261	Y97-L238 HydrophobicContact CD2-CB 4.41Å; Y97-L238 HydrophobicContact CD2-CD1 4.5Å; Y97-L238 HydrophobicContact CE2-CB 3.7Å; Y97-L238 HydrophobicContact CE2-CD1 4.45Å; Y97-L238 PolarHBondContact OH-N 3.36Å; R230-L238 HydrophobicContact CB-CD1 3.84Å; R230-L238 HydrophobicContact CB-CG 4.21Å; V232-L238 HydrophobicContact CG2-CD1 3.91Å; L238-Y261 HydrophobicContact CD1-CD1 3.8Å; L238-Y261 HydrophobicContact CD1-CG 4.02Å; L238-Y261 HydrophobicContact CD2-CD1 3.91Å; L238-Y261 HydrophobicContact CD2-CE1 4.27Å
239	I	95.1	Very high	91.1	Very high	60 Å²	60	52.8 Å²	52.8	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.1	178.7	-59.2	-177.6	0	0	0	109.5	R230 I231 N233 D237 Y241	R230-I239 CarbonylContact C-O 3.46Å; R230-I239 VanDerWaalsContact CA-O 3.27Å; R230-I239 WeakPolarHBondContact CA-O 3.27Å; I231-I239 PolarHBondContact N-O 2.96Å; I231-I239 PolarHBondContact O-N 3.46Å; N233-I239 HydrophobicContact CB-CD1 4.03Å; N233-I239 VanDerWaalsContact ND2-CD1 3.28Å; N233-I239 WeakPolarHBondContact ND2-CD1 3.25Å; D237-I239 PolarHBondContact O-N 3.32Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.42Å; I239-Y241 HydrophobicContact CG2-CE1 4.07Å; I239-Y241 HydrophobicContact CG2-CE2 3.89Å
240	E	93.8	Very high	90.7	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.4	173.1	-175.4	-171.8	110.5	0	0	111.8	K155 R230 S242	K155-E240 PolarHBondContact NZ-O 3.43Å; R230-E240 HydrophobicContact CG-CB 3.9Å; R230-E240 HydrophobicContact CG-CG 3.91Å; E240-S242 PolarHBondContact OE1-OG 2.89Å
241	Y	92.4	Very high	90	Very high	46 Å²	46	50.4 Å²	50.4	18%	0.18	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.8	170	-55.8	-81.5	0	0	0	109	A228 I229 I231 I239 E246 A250	A228-Y241 CarbonylContact C-O 3.52Å; A228-Y241 VanDerWaalsContact CA-O 3.28Å; A228-Y241 WeakPolarHBondContact CA-O 3.32Å; I229-Y241 HydrophobicContact CG2-CD2 4.17Å; I229-Y241 HydrophobicContact CG2-CG 4.46Å; I229-Y241 PolarHBondContact N-O 3.27Å; I229-Y241 PolarHBondContact O-N 2.83Å; I231-Y241 HydrophobicContact CB-CE2 4.13Å; I231-Y241 HydrophobicContact CD1-CD2 4.2Å; I231-Y241 HydrophobicContact CD1-CE2 3.93Å; I231-Y241 HydrophobicContact CG1-CD2 4.34Å; I231-Y241 HydrophobicContact CG1-CE2 4.14Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.42Å; I239-Y241 HydrophobicContact CG2-CE1 4.07Å; I239-Y241 HydrophobicContact CG2-CE2 3.89Å; Y241-E246 HydrophobicContact CD1-CB 3.94Å; Y241-E246 HydrophobicContact CD1-CG 4.48Å; Y241-A250 HydrophobicContact CD2-CB 4.11Å; Y241-A250 HydrophobicContact CG-CB 4.23Å
242	S	90.5	Very high	89	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.035	26%	0.26	C	S	.	.			trans	-135.2	3.3	-177.5	49.6	0	0	0	0	113.3	E240	E240-S242 PolarHBondContact OE1-OG 2.89Å
243	N	87.5	Confident	87.9	Confident	34 Å²	34	52.3 Å²	52.3	18%	0.182	27%	0.265	C	S	.	.	S	Bend	trans	-88.3	135.1	169	177.8	-47.3	0	0	0	109.2	T156 K245 E246 I247	T156-N243 WeakPolarHBondContact CG2-ND2 3.42Å; N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 2.94Å; N243-K245 PolarHBondContact OD1-N 3.49Å; N243-E246 HydrophobicContact CB-CB 4.04Å; N243-E246 HydrophobicContact CB-CG 3.85Å; N243-E246 CarbonylContact O-C 3.53Å; N243-E246 WeakPolarHBondContact O-CA 2.85Å; N243-E246 WeakPolarHBondContact O-CB 3.42Å; N243-E246 PolarHBondContact O-N 2.9Å; N243-I247 VanDerWaalsContact O-CG1 3.27Å; N243-I247 WeakPolarHBondContact O-CG1 3.3Å; N243-I247 PolarHBondContact O-N 2.95Å
244	E	83.1	Confident	86.9	Confident	109 Å²	109	55.7 Å²	55.7	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-49.7	-44.6	-179	-170.6	175.3	-170.2	0	0	113.7	I247 M248	E244-I247 PolarHBondContact O-N 2.9Å; E244-M248 WeakPolarHBondContact O-CG 3.15Å; E244-M248 PolarHBondContact O-N 3.17Å
245	K	83.2	Confident	86.2	Confident	163 Å²	163	53.2 Å²	53.2	71%	0.709	27%	0.269	S	S	*	.	H	α-helix	trans	-68.8	-37.6	178	-68	-172.6	177.9	-175.7	0	112.7	N243 M248 A249	N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 2.94Å; N243-K245 PolarHBondContact OD1-N 3.49Å; K245-M248 HydrophobicContact CG-CE 4.28Å; K245-A249 PolarHBondContact O-N 3.35Å; K245-A249 VanDerWaalsContact O-N 3.09Å
246	E	88	Confident	85.6	Confident	81 Å²	81	52.3 Å²	52.3	38%	0.379	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-41.6	176.8	-67.8	177.5	171.3	0	0	111.2	Y241 N243 A249 A250	Y241-E246 HydrophobicContact CD1-CB 3.94Å; Y241-E246 HydrophobicContact CD1-CG 4.48Å; N243-E246 HydrophobicContact CB-CB 4.04Å; N243-E246 HydrophobicContact CB-CG 3.85Å; N243-E246 CarbonylContact O-C 3.53Å; N243-E246 WeakPolarHBondContact O-CA 2.85Å; N243-E246 WeakPolarHBondContact O-CB 3.42Å; N243-E246 PolarHBondContact O-N 2.9Å; E246-A249 PolarHBondContact O-N 3.47Å; E246-A250 VanDerWaalsContact O-CB 3.22Å; E246-A250 WeakPolarHBondContact O-CB 3.23Å; E246-A250 PolarHBondContact O-N 2.93Å
247	I	87.8	Confident	85.2	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-50.9	176	-66.6	160.6	0	0	0	108.8	V226 I227 N243 E244 A249 A250 V251	V226-I247 HydrophobicContact CB-CG2 4.16Å; V226-I247 HydrophobicContact CG1-CG2 3.81Å; I227-I247 VanDerWaalsContact C-CD1 3.49Å; I227-I247 WeakPolarHBondContact O-CD1 3.12Å; N243-I247 VanDerWaalsContact O-CG1 3.27Å; N243-I247 WeakPolarHBondContact O-CG1 3.3Å; N243-I247 PolarHBondContact O-N 2.95Å; E244-I247 PolarHBondContact O-N 2.9Å; I247-A249 VanDerWaalsContact C-N 3.33Å; I247-A249 PolarHBondContact O-N 3.06Å; I247-A250 CarbonylContact O-C 3.48Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 PolarHBondContact O-N 3.39Å; I247-V251 HydrophobicContact CG2-CG1 4.24Å; I247-V251 WeakPolarHBondContact O-CG2 2.92Å; I247-V251 PolarHBondContact O-N 3.42Å
248	M	80	Confident	84.8	Confident	62 Å²	62	54 Å²	54	31%	0.305	29%	0.287	S	S	.	.	H	α-helix	trans	-52	-53.1	176	-76.4	-166.9	-60	0	0	110.5	E244 K245 A250 V251 S252 N519	E244-M248 WeakPolarHBondContact O-CG 3.15Å; E244-M248 PolarHBondContact O-N 3.17Å; K245-M248 HydrophobicContact CG-CE 4.28Å; M248-A250 VanDerWaalsContact C-N 3.27Å; M248-A250 PolarHBondContact O-N 2.74Å; M248-V251 WeakPolarHBondContact O-CG2 3.33Å; M248-V251 PolarHBondContact O-N 3.18Å; M248-S252 WeakPolarHBondContact O-CB 3.12Å; M248-S252 PolarHBondContact O-N 2.86Å; M248-S252 PolarHBondContact O-OG 2.8Å; M248-N519 HydrophobicContact SD-CB 3.71Å
249	A	81.8	Confident	84.6	Confident	62 Å²	62	51.5 Å²	51.5	51%	0.512	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-34.7	177.8	0	0	0	0	0	113.5	K245 E246 I247	K245-A249 PolarHBondContact O-N 3.35Å; K245-A249 VanDerWaalsContact O-N 3.09Å; E246-A249 PolarHBondContact O-N 3.47Å; I247-A249 VanDerWaalsContact C-N 3.33Å; I247-A249 PolarHBondContact O-N 3.06Å
250	A	85.4	Confident	84.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-77.2	-35.3	-178.3	0	0	0	0	0	113.9	I229 I231 Y241 E246 I247 M248 N253 L257	I229-A250 HydrophobicContact CG2-CB 3.74Å; I231-A250 HydrophobicContact CD1-CB 4.07Å; Y241-A250 HydrophobicContact CD2-CB 4.11Å; Y241-A250 HydrophobicContact CG-CB 4.23Å; E246-A250 VanDerWaalsContact O-CB 3.22Å; E246-A250 WeakPolarHBondContact O-CB 3.23Å; E246-A250 PolarHBondContact O-N 2.93Å; I247-A250 CarbonylContact O-C 3.48Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 PolarHBondContact O-N 3.39Å; M248-A250 VanDerWaalsContact C-N 3.27Å; M248-A250 PolarHBondContact O-N 2.74Å; A250-N253 PolarHBondContact O-ND2 2.97Å; A250-N253 PolarHBondContact O-OD1 3.12Å; A250-L257 HydrophobicContact CB-CD1 4.12Å
251	V	81.1	Confident	84.6	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-79.1	-27.4	173.8	-60.2	0	0	0	0	111.4	I203 T223 V226 I229 I247 M248 N253 N520	I203-V251 HydrophobicContact CG2-CG1 4.24Å; T223-V251 HydrophobicContact CG2-CB 4.26Å; T223-V251 HydrophobicContact CG2-CG2 4.49Å; V226-V251 HydrophobicContact CB-CG1 4.47Å; V226-V251 HydrophobicContact CG1-CG1 4.3Å; V226-V251 HydrophobicContact CG2-CG1 4.38Å; I229-V251 HydrophobicContact CD1-CG1 4.22Å; I247-V251 HydrophobicContact CG2-CG1 4.24Å; I247-V251 WeakPolarHBondContact O-CG2 2.92Å; I247-V251 PolarHBondContact O-N 3.42Å; M248-V251 WeakPolarHBondContact O-CG2 3.33Å; M248-V251 PolarHBondContact O-N 3.18Å; V251-N253 PolarHBondContact O-N 2.92Å; V251-N520 VanDerWaalsContact CG2-ND2 3.33Å; V251-N520 WeakPolarHBondContact CG2-ND2 3.49Å
252	S	74.1	Confident	84.8	Confident	23 Å²	23	44.5 Å²	44.5	16%	0.161	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.8	-179.8	-67	0	0	0	0	115.2	M248 N520 L523	M248-S252 WeakPolarHBondContact O-CB 3.12Å; M248-S252 PolarHBondContact O-N 2.86Å; M248-S252 PolarHBondContact O-OG 2.8Å; S252-N520 PolarHBondContact OG-OD1 2.92Å; S252-N520 VanDerWaalsContact OG-OD1 3.12Å; S252-L523 WeakPolarHBondContact O-CD2 3.25Å; S252-L523 WeakPolarHBondContact OG-CD1 3.23Å
253	N	72.7	Confident	85	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.107	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.7	-171.9	69.3	35	0	0	0	114.4	A250 V251 G255 L256 L257	A250-N253 PolarHBondContact O-ND2 2.97Å; A250-N253 PolarHBondContact O-OD1 3.12Å; V251-N253 PolarHBondContact O-N 2.92Å; N253-G255 PolarHBondContact O-N 3.34Å; N253-G255 VanDerWaalsContact O-N 3.14Å; N253-G255 VanDerWaalsContact OD1-CA 3.25Å; N253-G255 WeakPolarHBondContact OD1-CA 3.21Å; N253-G255 PolarHBondContact OD1-N 3.09Å; N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 WeakPolarHBondContact O-CB 3.45Å; N253-L256 WeakPolarHBondContact O-CD1 3.14Å; N253-L256 WeakPolarHBondContact O-CG 3.44Å; N253-L256 PolarHBondContact O-N 3.29Å; N253-L256 PolarHBondContact OD1-N 2.77Å; N253-L256 VanDerWaalsContact OD1-N 3.13Å; N253-L257 HydrophobicContact CB-CD1 4.49Å; N253-L257 HydrophobicContact CB-CG 4.1Å; N253-L257 WeakPolarHBondContact ND2-CB 3.41Å; N253-L257 WeakPolarHBondContact ND2-CD1 3.41Å; N253-L257 WeakPolarHBondContact ND2-CG 3.03Å
254	L	73	Confident	85.4	Confident	93 Å²	93	42.8 Å²	42.8	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.8	-177.7	-54	177.2	0	0	0	113.8	L204 T206	L204-L254 VanDerWaalsContact O-CD2 3.29Å; L204-L254 WeakPolarHBondContact O-CD2 3.33Å; T206-L254 HydrophobicContact CG2-CD2 4.47Å
255	G	78.6	Confident	85.9	Confident	20 Å²	20	37.6 Å²	37.6	21%	0.206	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	8.5	-177.1	0	0	0	0	0	115.4	N253	N253-G255 PolarHBondContact O-N 3.34Å; N253-G255 VanDerWaalsContact O-N 3.14Å; N253-G255 VanDerWaalsContact OD1-CA 3.25Å; N253-G255 WeakPolarHBondContact OD1-CA 3.21Å; N253-G255 PolarHBondContact OD1-N 3.09Å
256	L	81.9	Confident	86.3	Confident	113 Å²	113	33.1 Å²	33.1	59%	0.592	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-22	-175.2	-66.8	171.4	0	0	0	114.8	N253 G258	N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 WeakPolarHBondContact O-CB 3.45Å; N253-L256 WeakPolarHBondContact O-CD1 3.14Å; N253-L256 WeakPolarHBondContact O-CG 3.44Å; N253-L256 PolarHBondContact O-N 3.29Å; N253-L256 PolarHBondContact OD1-N 2.77Å; N253-L256 VanDerWaalsContact OD1-N 3.13Å; L256-G258 VanDerWaalsContact C-N 3.25Å; L256-G258 PolarHBondContact O-N 2.81Å
257	L	85.5	Confident	86.4	Confident	80 Å²	80	31.5 Å²	31.5	42%	0.419	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.5	176.6	-74	175.3	0	0	0	112.9	I231 A250 N253	I231-L257 HydrophobicContact CD1-CB 4.18Å; I231-L257 HydrophobicContact CD1-CD1 4.46Å; A250-L257 HydrophobicContact CB-CD1 4.12Å; N253-L257 HydrophobicContact CB-CD1 4.49Å; N253-L257 HydrophobicContact CB-CG 4.1Å; N253-L257 WeakPolarHBondContact ND2-CB 3.41Å; N253-L257 WeakPolarHBondContact ND2-CD1 3.41Å; N253-L257 WeakPolarHBondContact ND2-CG 3.03Å
258	G	89.8	Confident	86.4	Confident	23 Å²	23	32.7 Å²	32.7	24%	0.237	18%	0.184	C	C	.	.	S	Bend	trans	150.3	-165.1	-178.7	0	0	0	0	0	112.6	V232 L256 V260	V232-G258 WeakPolarHBondContact O-CA 3.42Å; L256-G258 VanDerWaalsContact C-N 3.25Å; L256-G258 PolarHBondContact O-N 2.81Å; G258-V260 PolarHBondContact O-N 2.97Å
259	V	92.1	Very high	86.5	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115	179.4	-179.3	0	0	0	0	109.1	I100 I104 I114 A116 I136 I231 V232 Y261	I100-V259 HydrophobicContact CD1-CG1 4.44Å; I100-V259 HydrophobicContact CG2-CB 4.16Å; I100-V259 HydrophobicContact CG2-CG1 4.15Å; I100-V259 HydrophobicContact CG2-CG2 4.33Å; I104-V259 HydrophobicContact CD1-CB 4.47Å; I104-V259 HydrophobicContact CD1-CG2 3.98Å; I114-V259 HydrophobicContact CG2-CG2 3.97Å; A116-V259 HydrophobicContact CB-CB 4.38Å; A116-V259 HydrophobicContact CB-CG1 3.86Å; A116-V259 HydrophobicContact CB-CG2 4.12Å; I136-V259 HydrophobicContact CD1-CG2 3.93Å; I231-V259 CarbonylContact C-O 3.57Å; I231-V259 WeakPolarHBondContact CA-O 3.39Å; V232-V259 HydrophobicContact CB-CB 4.43Å; V232-V259 PolarHBondContact N-O 2.93Å; V232-V259 PolarHBondContact O-N 3Å; V232-V259 VanDerWaalsContact O-N 3.13Å; V259-Y261 PolarHBondContact O-N 2.6Å
260	V	93.6	Very high	86.4	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	117.3	171.5	179.7	0	0	0	0	108.5	S168 V200 L204 I229 I231 G258 V263	S168-V260 VanDerWaalsContact CB-O 3.27Å; S168-V260 WeakPolarHBondContact CB-O 3.36Å; S168-V260 PolarHBondContact OG-O 3.14Å; V200-V260 HydrophobicContact CG1-CB 3.7Å; V200-V260 HydrophobicContact CG1-CG1 3.61Å; V200-V260 HydrophobicContact CG1-CG2 4.36Å; V200-V260 HydrophobicContact CG2-CG1 4.12Å; L204-V260 HydrophobicContact CD1-CB 4.4Å; L204-V260 HydrophobicContact CD1-CG2 3.79Å; L204-V260 HydrophobicContact CD2-CG2 3.99Å; L204-V260 HydrophobicContact CG-CG2 4.29Å; I229-V260 HydrophobicContact CD1-CG1 3.91Å; I229-V260 HydrophobicContact CD1-CG2 3.85Å; I229-V260 HydrophobicContact CG1-CG1 3.91Å; I229-V260 HydrophobicContact CG1-CG2 4.46Å; I231-V260 HydrophobicContact CD1-CG2 4.43Å; I231-V260 HydrophobicContact CG1-CG2 4.17Å; G258-V260 PolarHBondContact O-N 2.97Å; V260-V263 HydrophobicContact CG1-CG1 3.89Å
261	Y	95.4	Very high	85.8	Confident	24 Å²	24	34.1 Å²	34.1	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-45.8	179.8	177.3	-117.3	0	0	0	110.7	I100 D143 L167 S168 R230 L238 V259	I100-Y261 HydrophobicContact CD1-CD2 4.04Å; D143-Y261 VanDerWaalsContact CB-OH 3.29Å; D143-Y261 WeakPolarHBondContact CB-OH 3.44Å; D143-Y261 VanDerWaalsContact CG-OH 3.28Å; D143-Y261 WeakPolarHBondContact OD2-CE2 3.46Å; D143-Y261 PolarHBondContact OD2-OH 2.89Å; L167-Y261 HydrophobicContact CD1-CD1 4.5Å; L167-Y261 HydrophobicContact CD1-CD2 4.11Å; L167-Y261 HydrophobicContact CD1-CE1 4.05Å; L167-Y261 HydrophobicContact CD1-CE2 3.63Å; L167-Y261 HydrophobicContact CD1-CG 4.5Å; L167-Y261 WeakPolarHBondContact CD1-O 3.38Å; S168-Y261 VanDerWaalsContact CB-O 3.27Å; S168-Y261 WeakPolarHBondContact CB-O 3.45Å; S168-Y261 PolarHBondContact N-O 3.44Å; S168-Y261 PolarHBondContact OG-O 2.83Å; R230-Y261 PolarHBondContact O-N 2.95Å; L238-Y261 HydrophobicContact CD1-CD1 3.8Å; L238-Y261 HydrophobicContact CD1-CG 4.02Å; L238-Y261 HydrophobicContact CD2-CD1 3.91Å; L238-Y261 HydrophobicContact CD2-CE1 4.27Å; V259-Y261 PolarHBondContact O-N 2.6Å
262	D	95.4	Very high	85.3	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.6	173	57.1	81.6	0	0	0	112.3	K165 L166 L167 R230	K165-D262 HydrophobicContact CG-CB 4.38Å; L166-D262 WeakPolarHBondContact O-CA 3.35Å; L166-D262 WeakPolarHBondContact O-CB 3.4Å; L167-D262 HydrophobicContact CD1-CB 4.41Å; R230-D262 IonicContact CZ-OD1 3.42Å; R230-D262 IonicContact CZ-OD2 2.8Å; R230-D262 PolarHBondContact N-O 2.99Å; R230-D262 IonicContact NE-OD1 2.98Å; R230-D262 PolarHBondContact NE-OD1 3.4Å; R230-D262 IonicContact NE-OD2 2.69Å; R230-D262 PolarHBondContact NE-OD2 2.7Å; R230-D262 IonicContact NH2-OD1 3.64Å; R230-D262 IonicContact NH2-OD2 2.98Å; R230-D262 PolarHBondContact NH2-OD2 2.57Å
263	V	95	Very high	85.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.3	176	-67.3	0	0	0	0	109.3	K165 L166 V200 I203 I229 V260	K165-V263 CarbonylContact C-O 3.52Å; K165-V263 WeakPolarHBondContact CA-O 3.38Å; L166-V263 HydrophobicContact CB-CG2 4.09Å; L166-V263 PolarHBondContact N-O 3.14Å; L166-V263 PolarHBondContact O-N 2.93Å; V200-V263 HydrophobicContact CG2-CB 4.48Å; V200-V263 HydrophobicContact CG2-CG1 3.9Å; V200-V263 HydrophobicContact CG2-CG2 3.83Å; I203-V263 HydrophobicContact CD1-CB 4.23Å; I203-V263 HydrophobicContact CD1-CG1 4.12Å; I203-V263 HydrophobicContact CD1-CG2 3.82Å; I229-V263 HydrophobicContact CB-CG1 4.49Å; I229-V263 HydrophobicContact CD1-CG1 4Å; I229-V263 HydrophobicContact CG1-CG1 3.94Å; V260-V263 HydrophobicContact CG1-CG1 3.89Å
264	T	95.8	Very high	85.4	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.7	169.9	-52.4	0	0	0	0	108.8	V150 I152 L164 I227 A228	V150-T264 HydrophobicContact CG2-CG2 3.53Å; I152-T264 HydrophobicContact CG1-CG2 3.96Å; L164-T264 WeakPolarHBondContact O-CA 3.44Å; I227-T264 HydrophobicContact CD1-CG2 3.78Å; I227-T264 HydrophobicContact CG1-CG2 3.67Å; I227-T264 WeakPolarHBondContact CG1-O 3.02Å; I227-T264 PolarHBondContact N-O 3.31Å; A228-T264 PolarHBondContact N-O 2.99Å; A228-T264 PolarHBondContact O-N 3.26Å
265	L	94.4	Very high	85.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.2	179.9	-60.3	-176	0	0	0	111.1	G163 L164 L166 I186 I199 I203 L222 E225 V226	G163-L265 CarbonylContact C-O 3.57Å; G163-L265 VanDerWaalsContact CA-O 3.23Å; G163-L265 WeakPolarHBondContact CA-O 3.24Å; L164-L265 PolarHBondContact N-O 3.46Å; L164-L265 PolarHBondContact O-N 3.05Å; L166-L265 HydrophobicContact CD1-CD1 3.57Å; L166-L265 HydrophobicContact CD1-CG 4.08Å; I186-L265 HydrophobicContact CD1-CB 4.13Å; I186-L265 HydrophobicContact CD1-CD1 3.53Å; I186-L265 HydrophobicContact CD1-CG 4.48Å; I186-L265 HydrophobicContact CG1-CB 4.24Å; I186-L265 HydrophobicContact CG1-CD1 4.35Å; I199-L265 HydrophobicContact CG2-CD1 4.05Å; I203-L265 HydrophobicContact CD1-CD2 4.03Å; L222-L265 HydrophobicContact CD1-CD1 4.24Å; E225-L265 WeakPolarHBondContact O-CA 3.42Å; V226-L265 HydrophobicContact CB-CD2 4.32Å; V226-L265 HydrophobicContact CG2-CD2 3.61Å
266	R	91.7	Very high	85.8	Confident	70 Å²	70	32.1 Å²	32.1	26%	0.264	17%	0.171	S	C	.	.			trans	-72.9	143.2	167.4	-170.6	174.9	-61.7	165.9	10.5	109.9	I186 Y218 E225 I227	I186-R266 WeakPolarHBondContact CG1-O 3.49Å; Y218-R266 VanDerWaalsContact CE2-NH1 3.31Å; E225-R266 PolarHBondContact O-N 3.37Å; I227-R266 HydrophobicContact CG2-CB 4.14Å
267	Y	90.3	Very high	85.9	Confident	46 Å²	46	26.9 Å²	26.9	18%	0.18	14%	0.143	C	C	.	.			trans	-131.1	161.8	173.1	70.1	-91	0	0	0	110.8	F149 Q162 L164 I184 E185	F149-Y267 HydrophobicContact CD1-CD1 4.49Å; F149-Y267 AromaticContact CD1-CE1 3.68Å; F149-Y267 HydrophobicContact CD1-CE1 3.68Å; F149-Y267 HydrophobicContact CD1-CE2 4.47Å; F149-Y267 AromaticContact CD1-CZ 3.67Å; F149-Y267 HydrophobicContact CE1-CD1 4.43Å; F149-Y267 AromaticContact CE1-CE1 3.9Å; F149-Y267 HydrophobicContact CE1-CE1 3.9Å; F149-Y267 HydrophobicContact CE1-CE2 4.05Å; F149-Y267 AromaticContact CE1-CZ 3.69Å; Q162-Y267 HydrophobicContact CB-CE1 4.24Å; Q162-Y267 PolarHBondContact OE1-OH 2.64Å; L164-Y267 HydrophobicContact CB-CD1 4.05Å; I184-Y267 HydrophobicContact CB-CD2 3.8Å; I184-Y267 HydrophobicContact CB-CG 4.4Å; I184-Y267 HydrophobicContact CD1-CD2 4.2Å; I184-Y267 HydrophobicContact CD1-CG 4.09Å; I184-Y267 HydrophobicContact CG2-CD2 3.49Å; I184-Y267 VanDerWaalsContact CG2-CD2 3.49Å; I184-Y267 HydrophobicContact CG2-CE2 3.72Å; I184-Y267 HydrophobicContact CG2-CG 4.45Å; E185-Y267 CarbonylContact O-C 3.54Å; E185-Y267 VanDerWaalsContact O-CA 3.3Å; E185-Y267 WeakPolarHBondContact O-CA 3.47Å
268	T	86.3	Confident	86.1	Confident	37 Å²	37	27.3 Å²	27.3	23%	0.227	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	166.9	172.2	49.6	0	0	0	0	109.7	I184 E185 N187	I184-T268 CarbonylContact C-O 3.56Å; I184-T268 VanDerWaalsContact CA-O 3.24Å; I184-T268 WeakPolarHBondContact CA-O 3.48Å; I184-T268 WeakPolarHBondContact CB-O 2.85Å; E185-T268 PolarHBondContact N-O 3.36Å; E185-T268 PolarHBondContact O-N 3.4Å; E185-T268 PolarHBondContact O-OG1 2.71Å; N187-T268 PolarHBondContact OD1-OG1 3Å; N187-T268 VanDerWaalsContact OD1-OG1 3.06Å
269	P	83.2	Confident	86.2	Confident	100 Å²	100	27.8 Å²	27.8	65%	0.649	14%	0.138	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	143.9	167.8	-24	35.2	0	0	0	111.2
270	I	78.9	Confident	86.3	Confident	27 Å²	27	30.3 Å²	30.3	14%	0.138	15%	0.148	C	C	.	.			trans	-61.9	143.1	178.6	-159.7	164.4	0	0	0	111.3	N183 E185 T452	N183-I270 HydrophobicContact CB-CG2 4.01Å; N183-I270 PolarHBondContact O-N 3.2Å; E185-I270 HydrophobicContact CB-CG1 4.46Å; I270-T452 HydrophobicContact CD1-CG2 3.54Å; I270-T452 HydrophobicContact CG1-CG2 4.2Å
271	T	72.6	Confident	86.4	Confident	27 Å²	27	33.7 Å²	33.7	17%	0.166	16%	0.162	C	C	.	.			trans	-123.2	144.4	-178.4	62.4	0	0	0	0	112.4	E185 R365	E185-T271 PolarHBondContact OE1-OG1 2.7Å; E185-T271 PolarHBondContact OE2-N 3.1Å; E185-T271 PolarHBondContact OE2-OG1 3.26Å; T271-R365 PolarHBondContact OG1-NE 3.28Å
272	L	72	Confident	86.3	Confident	18 Å²	18	32.5 Å²	32.5	9%	0.094	16%	0.158	C	C	.	.			trans	-78.5	141.6	168.7	-64.9	-174.6	0	0	0	110.3	R365 L366 Y371 Y451	L272-R365 WeakPolarHBondContact O-CA 3.23Å; L272-L366 HydrophobicContact CB-CB 4.19Å; L272-L366 HydrophobicContact CB-CD1 3.87Å; L272-L366 HydrophobicContact CB-CG 4.47Å; L272-L366 HydrophobicContact CD1-CD1 4.29Å; L272-L366 PolarHBondContact O-N 3.05Å; L272-Y371 HydrophobicContact CD1-CD2 3.2Å; L272-Y371 HydrophobicContact CD1-CE2 3.38Å; L272-Y371 HydrophobicContact CD1-CG 4.35Å; L272-Y371 HydrophobicContact CD2-CE2 4.03Å; L272-Y371 HydrophobicContact CG-CD2 3.54Å; L272-Y371 HydrophobicContact CG-CE2 3.45Å; L272-Y371 VanDerWaalsContact CG-CE2 3.45Å; L272-Y451 HydrophobicContact CD2-CD1 3.7Å; L272-Y451 HydrophobicContact CD2-CE1 4.4Å; L272-Y451 HydrophobicContact CD2-CG 4.35Å; L272-Y451 WeakPolarHBondContact CD2-O 3.29Å
273	T	72.6	Confident	86.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	-176.4	-62.7	0	0	0	0	110.5	T363 Q450 P453 L456	T273-T363 HydrophobicContact CG2-CG2 4.09Å; T273-Q450 PolarHBondContact N-O 3.19Å; T273-Q450 VanDerWaalsContact N-O 3.16Å; T273-Q450 PolarHBondContact O-N 2.85Å; T273-Q450 VanDerWaalsContact O-O 3.09Å; T273-P453 WeakPolarHBondContact OG1-CG 3.46Å; T273-L456 HydrophobicContact CG2-CD1 4.39Å
274	K	76.2	Confident	86.1	Confident	72 Å²	72	37.6 Å²	37.6	31%	0.313	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.5	169.7	-174	-180	-179.5	-176	0	108.8	N276 T363 K364 L366 T447	K274-N276 WeakPolarHBondContact CE-OD1 3.4Å; K274-T363 CarbonylContact O-C 3.6Å; K274-T363 VanDerWaalsContact O-CA 3.29Å; K274-T363 WeakPolarHBondContact O-CA 3.48Å; K274-K364 PolarHBondContact N-O 3.42Å; K274-K364 PolarHBondContact O-N 3.5Å; K274-L366 HydrophobicContact CB-CD2 4.26Å; K274-L366 HydrophobicContact CB-CG 4.32Å; K274-T447 VanDerWaalsContact CE-CB 3.47Å
275	V	76.9	Confident	86	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.9	176.4	-163.8	0	0	0	0	108.1	Y277 R361 T362 T363 T447 I448 Q450 L456	V275-Y277 HydrophobicContact CB-CE2 4.12Å; V275-Y277 HydrophobicContact CG1-CD2 4.44Å; V275-Y277 HydrophobicContact CG1-CE1 4.35Å; V275-Y277 HydrophobicContact CG1-CE2 3.67Å; V275-R361 HydrophobicContact CG1-CG 3.83Å; V275-T362 CarbonylContact C-O 3.57Å; V275-T362 WeakPolarHBondContact CA-O 3.48Å; V275-T363 HydrophobicContact CG1-CG2 4.28Å; V275-T447 CarbonylContact O-C 3.54Å; V275-T447 VanDerWaalsContact O-CA 3.23Å; V275-T447 WeakPolarHBondContact O-CA 3.25Å; V275-I448 PolarHBondContact N-O 3.04Å; V275-I448 PolarHBondContact O-N 3.14Å; V275-Q450 HydrophobicContact CG2-CB 4.23Å; V275-Q450 HydrophobicContact CG2-CG 3.89Å; V275-L456 HydrophobicContact CB-CD2 4.28Å; V275-L456 HydrophobicContact CG1-CD2 3.83Å; V275-L456 HydrophobicContact CG2-CD2 3.43Å; V275-L456 VanDerWaalsContact CG2-CD2 3.43Å; V275-L456 HydrophobicContact CG2-CG 4.44Å
276	N	82	Confident	85.9	Confident	27 Å²	27	38.3 Å²	38.3	14%	0.144	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.4	175.5	-43.7	-64.5	0	0	0	109.8	K274 R361 T362 P446 T447	K274-N276 WeakPolarHBondContact CE-OD1 3.4Å; N276-R361 CarbonylContact O-C 3.48Å; N276-R361 WeakPolarHBondContact O-CA 3.43Å; N276-T362 PolarHBondContact N-O 3.33Å; N276-T362 PolarHBondContact O-N 2.9Å; N276-P446 CarbonylContact C-O 3.05Å; N276-P446 WeakPolarHBondContact CA-O 3.34Å; N276-T447 HydrophobicContact CB-CG2 4.14Å; N276-T447 WeakPolarHBondContact OD1-CG2 3.34Å
277	Y	84.5	Confident	85.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.5	-179.1	-61.4	-88.4	0	0	0	108.1	V275 L359 R361 Q404 V406 Y442 P446 I448	V275-Y277 HydrophobicContact CB-CE2 4.12Å; V275-Y277 HydrophobicContact CG1-CD2 4.44Å; V275-Y277 HydrophobicContact CG1-CE1 4.35Å; V275-Y277 HydrophobicContact CG1-CE2 3.67Å; Y277-L359 HydrophobicContact CD1-CD1 3.96Å; Y277-L359 HydrophobicContact CD1-CD2 4.09Å; Y277-L359 HydrophobicContact CD1-CG 4.46Å; Y277-L359 HydrophobicContact CG-CD1 4.4Å; Y277-R361 HydrophobicContact CD1-CB 4.31Å; Y277-R361 HydrophobicContact CD1-CG 4.09Å; Y277-R361 HydrophobicContact CE1-CB 4.4Å; Y277-R361 VanDerWaalsContact CE1-CD 3.45Å; Y277-R361 HydrophobicContact CE1-CG 3.81Å; Y277-Q404 PolarHBondContact OH-OE1 3.28Å; Y277-V406 HydrophobicContact CE1-CG2 4.03Å; Y277-V406 WeakPolarHBondContact OH-CG2 3.49Å; Y277-Y442 AromaticContact CD1-CD1 3.97Å; Y277-Y442 HydrophobicContact CD1-CD1 3.97Å; Y277-Y442 HydrophobicContact CD1-CD2 4.43Å; Y277-Y442 HydrophobicContact CD1-CE1 4.27Å; Y277-Y442 HydrophobicContact CD1-CG 4.07Å; Y277-Y442 AromaticContact CD2-CD1 3.9Å; Y277-Y442 HydrophobicContact CD2-CD1 3.9Å; Y277-Y442 HydrophobicContact CD2-CE1 4.48Å; Y277-Y442 HydrophobicContact CD2-CG 4.49Å; Y277-Y442 HydrophobicContact CE1-CD1 4Å; Y277-Y442 AromaticContact CE1-CE1 3.85Å; Y277-Y442 HydrophobicContact CE1-CE1 3.85Å; Y277-Y442 HydrophobicContact CE1-CG 4.46Å; Y277-Y442 AromaticContact CE2-CD1 3.98Å; Y277-Y442 HydrophobicContact CE2-CD1 3.98Å; Y277-Y442 HydrophobicContact CE2-CE1 4.12Å; Y277-Y442 AromaticContact CG-CD1 3.92Å; Y277-Y442 HydrophobicContact CG-CD1 3.92Å; Y277-Y442 HydrophobicContact CG-CG 4.08Å; Y277-Y442 AromaticContact CZ-CE1 3.77Å; Y277-P446 VanDerWaalsContact CD2-O 3.28Å; Y277-P446 WeakPolarHBondContact CD2-O 3.43Å; Y277-P446 PolarHBondContact N-O 3.04Å; Y277-P446 WeakPolarHBondContact O-CB 3.41Å; Y277-I448 HydrophobicContact CD2-CD1 4.13Å; Y277-I448 HydrophobicContact CE2-CD1 3.56Å
278	Q	89.7	Confident	85.5	Confident	90 Å²	90	39.3 Å²	39.3	42%	0.421	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.6	176.9	-71.7	178.2	-32.3	0	0	109.7	Y280 L360	Q278-Y280 HydrophobicContact CB-CD2 4.18Å; Q278-Y280 HydrophobicContact CB-CE2 3.48Å; Q278-Y280 VanDerWaalsContact CB-CE2 3.48Å; Q278-Y280 HydrophobicContact CG-CE2 4.47Å; Q278-Y280 PolarHBondContact OE1-OH 3.45Å; Q278-L360 PolarHBondContact N-O 3.24Å; Q278-L360 PolarHBondContact O-N 2.95Å
279	F	91.6	Very high	85.5	Confident	32 Å²	32	45.4 Å²	45.4	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.3	176	-70	-97.3	0	0	0	109.6	L358 L359 H435 L438 K439	F279-L358 VanDerWaalsContact CA-O 3.3Å; F279-L358 WeakPolarHBondContact CA-O 3.21Å; F279-L359 HydrophobicContact CD1-CB 4.22Å; F279-L359 HydrophobicContact CD2-CD1 4.34Å; F279-L359 HydrophobicContact CE1-CB 3.83Å; F279-L359 HydrophobicContact CE1-CD1 4.44Å; F279-L359 HydrophobicContact CE2-CD1 3.96Å; F279-L359 HydrophobicContact CZ-CB 4.14Å; F279-L359 HydrophobicContact CZ-CD1 4Å; F279-L359 HydrophobicContact CZ-CD2 4.47Å; F279-L359 HydrophobicContact CZ-CG 4.43Å; F279-H435 AromaticContact CD1-NE2 3.76Å; F279-H435 AromaticContact CE1-NE2 3.8Å; F279-L438 HydrophobicContact CZ-CB 4.28Å; F279-K439 HydrophobicContact CD2-CG 4.43Å; F279-K439 HydrophobicContact CE1-CB 4.22Å; F279-K439 HydrophobicContact CE1-CG 4.49Å; F279-K439 HydrophobicContact CE2-CB 4.43Å; F279-K439 HydrophobicContact CE2-CG 4.32Å; F279-K439 VanDerWaalsContact CZ-CA 3.49Å; F279-K439 HydrophobicContact CZ-CB 4.05Å; F279-K439 HydrophobicContact CZ-CG 4.36Å
280	Y	94.2	Very high	85.8	Confident	56 Å²	56	43.9 Å²	43.9	22%	0.22	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.3	178.3	-70	-76.3	0	0	0	109.5	Q278 I292 E357 L358 L360	Q278-Y280 HydrophobicContact CB-CD2 4.18Å; Q278-Y280 HydrophobicContact CB-CE2 3.48Å; Q278-Y280 VanDerWaalsContact CB-CE2 3.48Å; Q278-Y280 HydrophobicContact CG-CE2 4.47Å; Q278-Y280 PolarHBondContact OE1-OH 3.45Å; Y280-I292 HydrophobicContact CD1-CD1 3.94Å; Y280-I292 HydrophobicContact CD1-CG2 4.38Å; Y280-I292 HydrophobicContact CD2-CG2 4.35Å; Y280-I292 HydrophobicContact CE1-CD1 3.85Å; Y280-I292 HydrophobicContact CE1-CG1 4.46Å; Y280-I292 HydrophobicContact CE1-CG2 4.02Å; Y280-I292 HydrophobicContact CE2-CG2 3.98Å; Y280-E357 CarbonylContact O-C 3.53Å; Y280-E357 WeakPolarHBondContact O-CA 3.43Å; Y280-L358 PolarHBondContact N-O 3.43Å; Y280-L358 WeakPolarHBondContact O-CG 3.47Å; Y280-L358 PolarHBondContact O-N 2.99Å; Y280-L360 HydrophobicContact CD2-CB 3.95Å; Y280-L360 HydrophobicContact CD2-CD2 4.08Å; Y280-L360 HydrophobicContact CE2-CB 4.23Å; Y280-L360 HydrophobicContact CE2-CD2 3.81Å
281	K	94.8	Very high	86.4	Confident	75 Å²	75	45.5 Å²	45.5	33%	0.326	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	153.6	165.4	-67.2	179.1	170.5	-170.7	0	110.8	S283 D284 L285 E355 D356 E357	K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.46Å; K281-D284 HydrophobicContact CB-CB 4.47Å; K281-D284 PolarHBondContact O-N 2.96Å; K281-L285 PolarHBondContact O-N 3.15Å; K281-E355 WeakPolarHBondContact CD-OE2 3.42Å; K281-E355 IonicContact NZ-OE2 3.36Å; K281-E355 PolarHBondContact NZ-OE2 3.27Å; K281-D356 WeakPolarHBondContact CA-O 3.28Å; K281-E357 HydrophobicContact CG-CG 4.18Å
282	W	93.6	Very high	87.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-45.2	170.3	-87.1	118.9	0	0	0	111.9	D284 L285 L286 I305 Y307 E354 D356 L358 I486 L490 L510 I512	W282-D284 VanDerWaalsContact C-N 3.29Å; W282-D284 PolarHBondContact O-N 3.29Å; W282-L285 HydrophobicContact CE3-CD2 4.39Å; W282-L285 HydrophobicContact CZ3-CD2 4.12Å; W282-L285 PolarHBondContact O-N 2.85Å; W282-L286 HydrophobicContact CB-CD1 4.47Å; W282-L286 HydrophobicContact CE3-CD1 3.88Å; W282-L286 HydrophobicContact CE3-CD2 4.1Å; W282-L286 HydrophobicContact CE3-CG 3.84Å; W282-L286 HydrophobicContact CZ3-CD2 4.15Å; W282-L286 HydrophobicContact CZ3-CG 4.4Å; W282-L286 WeakPolarHBondContact O-CB 3.31Å; W282-L286 WeakPolarHBondContact O-CG 2.9Å; W282-L286 PolarHBondContact O-N 2.84Å; W282-I305 HydrophobicContact CH2-CG2 4.09Å; W282-I305 HydrophobicContact CZ2-CG2 4.45Å; W282-Y307 AromaticContact CD1-CD2 3.96Å; W282-Y307 AromaticContact CD1-CE2 3.8Å; W282-Y307 HydrophobicContact CZ2-CD1 4.33Å; W282-Y307 HydrophobicContact CZ2-CD2 4.45Å; W282-Y307 AromaticContact CZ2-CG 3.97Å; W282-Y307 HydrophobicContact CZ2-CG 3.97Å; W282-Y307 AromaticContact NE1-CD1 3.88Å; W282-Y307 AromaticContact NE1-CD2 3.14Å; W282-Y307 AromaticContact NE1-CE1 3.97Å; W282-Y307 AromaticContact NE1-CE2 3.29Å; W282-Y307 VanDerWaalsContact NE1-CE2 3.29Å; W282-Y307 AromaticContact NE1-CG 3.45Å; W282-Y307 AromaticContact NE1-CZ 3.68Å; W282-E354 WeakPolarHBondContact CB-O 3.35Å; W282-D356 PolarHBondContact N-O 3.02Å; W282-D356 VanDerWaalsContact N-O 3.08Å; W282-L358 HydrophobicContact CD2-CD2 3.29Å; W282-L358 VanDerWaalsContact CE2-CD2 3.49Å; W282-L358 HydrophobicContact CE3-CD2 3.42Å; W282-L358 VanDerWaalsContact CE3-CD2 3.42Å; W282-L358 HydrophobicContact CG-CD2 3.8Å; W282-L358 HydrophobicContact CH2-CD2 3.95Å; W282-L358 HydrophobicContact CZ2-CD2 3.83Å; W282-L358 HydrophobicContact CZ3-CD2 3.75Å; W282-I486 HydrophobicContact CE3-CG2 3.94Å; W282-I486 HydrophobicContact CH2-CG2 3.98Å; W282-I486 HydrophobicContact CZ3-CG1 4.48Å; W282-I486 HydrophobicContact CZ3-CG2 3.65Å; W282-L490 HydrophobicContact CD2-CD1 4.24Å; W282-L490 HydrophobicContact CG-CD1 4.13Å; W282-L510 HydrophobicContact CH2-CD1 4.14Å; W282-L510 HydrophobicContact CZ2-CD1 3.95Å; W282-L510 HydrophobicContact CZ2-CD2 4.23Å; W282-L510 HydrophobicContact CZ2-CG 4.47Å; W282-I512 HydrophobicContact CH2-CD1 3.97Å
283	S	93.5	Very high	88.3	Confident	38 Å²	38	45.4 Å²	45.4	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-56.9	-40.1	178.7	53.5	0	0	0	0	112.9	K281 N287 E354 E355	K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.46Å; S283-N287 WeakPolarHBondContact O-CB 3.17Å; S283-N287 PolarHBondContact O-N 2.95Å; S283-E354 PolarHBondContact N-O 2.82Å; S283-E354 PolarHBondContact OG-O 3.19Å; S283-E355 WeakPolarHBondContact CB-OE1 3.37Å; S283-E355 PolarHBondContact OG-OE1 3Å
284	D	94.2	Very high	89.2	Confident	70 Å²	70	48 Å²	48	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-72.4	-41.1	176.5	-68.6	-38.1	0	0	0	112.8	K281 W282 N290 I292	K281-D284 HydrophobicContact CB-CB 4.47Å; K281-D284 PolarHBondContact O-N 2.96Å; W282-D284 VanDerWaalsContact C-N 3.29Å; W282-D284 PolarHBondContact O-N 3.29Å; D284-N290 PolarHBondContact O-ND2 2.84Å; D284-I292 HydrophobicContact CB-CD1 4.43Å
285	L	93.3	Very high	90	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-71.7	-37.5	-176.5	-166.4	78.7	0	0	0	112.4	K281 W282 I292 L293 I305 L358 L360	K281-L285 PolarHBondContact O-N 3.15Å; W282-L285 HydrophobicContact CE3-CD2 4.39Å; W282-L285 HydrophobicContact CZ3-CD2 4.12Å; W282-L285 PolarHBondContact O-N 2.85Å; L285-I292 HydrophobicContact CD1-CB 4.4Å; L285-I292 HydrophobicContact CD1-CG2 3.82Å; L285-L293 HydrophobicContact CD1-CB 4.11Å; L285-L293 HydrophobicContact CG-CB 4.28Å; L285-I305 HydrophobicContact CD2-CD1 3.7Å; L285-I305 HydrophobicContact CD2-CG1 4.27Å; L285-L358 HydrophobicContact CB-CD2 4.43Å; L285-L358 HydrophobicContact CD2-CD1 3.78Å; L285-L358 HydrophobicContact CD2-CD2 3.74Å; L285-L358 HydrophobicContact CD2-CG 4.41Å; L285-L360 HydrophobicContact CD1-CD2 4.42Å
286	L	92.1	Very high	90.7	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-82.1	-17.6	-178.9	-65.5	176	0	0	0	113.1	W282 I288 F482 T483 I486	W282-L286 HydrophobicContact CB-CD1 4.47Å; W282-L286 HydrophobicContact CE3-CD1 3.88Å; W282-L286 HydrophobicContact CE3-CD2 4.1Å; W282-L286 HydrophobicContact CE3-CG 3.84Å; W282-L286 HydrophobicContact CZ3-CD2 4.15Å; W282-L286 HydrophobicContact CZ3-CG 4.4Å; W282-L286 WeakPolarHBondContact O-CB 3.31Å; W282-L286 WeakPolarHBondContact O-CG 2.9Å; W282-L286 PolarHBondContact O-N 2.84Å; L286-I288 PolarHBondContact O-N 2.98Å; L286-I288 VanDerWaalsContact O-N 3.1Å; L286-F482 HydrophobicContact CD2-CE1 4.3Å; L286-T483 HydrophobicContact CB-CG2 4.16Å; L286-T483 HydrophobicContact CD2-CG2 4.37Å; L286-I486 HydrophobicContact CD1-CB 4.4Å; L286-I486 HydrophobicContact CD1-CG2 3.8Å; L286-I486 HydrophobicContact CD2-CB 3.97Å; L286-I486 HydrophobicContact CD2-CG1 4.24Å; L286-I486 HydrophobicContact CD2-CG2 3.96Å; L286-I486 HydrophobicContact CG-CG2 4.47Å
287	N	90.8	Very high	91.1	Very high	67 Å²	67	48.2 Å²	48.2	36%	0.358	24%	0.241	S	C	.	.			trans	-69.6	106.9	173.9	-174.3	-6.7	0	0	0	110.4	S283 E289 N290	S283-N287 WeakPolarHBondContact O-CB 3.17Å; S283-N287 PolarHBondContact O-N 2.95Å; N287-E289 PolarHBondContact O-N 3.43Å; N287-E289 VanDerWaalsContact O-N 3.16Å; N287-E289 WeakPolarHBondContact OD1-CB 3.41Å; N287-E289 PolarHBondContact OD1-N 3.38Å; N287-E289 VanDerWaalsContact OD1-N 3.07Å; N287-N290 WeakPolarHBondContact O-CB 3.16Å; N287-N290 PolarHBondContact O-N 3.05Å
288	I	82.9	Confident	91.2	Very high	69 Å²	69	51.9 Å²	51.9	35%	0.354	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.8	-30.1	-177.3	-58.3	175.2	0	0	0	111.4	L286 N290 N291 N480	L286-I288 PolarHBondContact O-N 2.98Å; L286-I288 VanDerWaalsContact O-N 3.1Å; I288-N290 VanDerWaalsContact C-N 3.26Å; I288-N290 PolarHBondContact O-N 3.25Å; I288-N291 PolarHBondContact O-N 3.19Å; I288-N291 PolarHBondContact O-OD1 3.17Å; I288-N480 VanDerWaalsContact CD1-OD1 3.23Å; I288-N480 WeakPolarHBondContact CD1-OD1 3.23Å
289	E	87	Confident	91.1	Very high	166 Å²	166	51.5 Å²	51.5	78%	0.776	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.4	-30	179	-60.7	-172	166.4	0	0	112.7	N287 N291	N287-E289 PolarHBondContact O-N 3.43Å; N287-E289 VanDerWaalsContact O-N 3.16Å; N287-E289 WeakPolarHBondContact OD1-CB 3.41Å; N287-E289 PolarHBondContact OD1-N 3.38Å; N287-E289 VanDerWaalsContact OD1-N 3.07Å; E289-N291 PolarHBondContact O-N 3.12Å; E289-N291 PolarHBondContact O-ND2 2.8Å; E289-N291 VanDerWaalsContact O-ND2 3.17Å
290	N	89.5	Confident	90.9	Very high	67 Å²	67	50.7 Å²	50.7	36%	0.358	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-72.2	-19.7	179.6	-71	-17	0	0	0	112.5	D284 N287 I288 I292	D284-N290 PolarHBondContact O-ND2 2.84Å; N287-N290 WeakPolarHBondContact O-CB 3.16Å; N287-N290 PolarHBondContact O-N 3.05Å; I288-N290 VanDerWaalsContact C-N 3.26Å; I288-N290 PolarHBondContact O-N 3.25Å; N290-I292 HydrophobicContact CB-CD1 3.92Å; N290-I292 HydrophobicContact CB-CG1 4.01Å; N290-I292 PolarHBondContact O-N 2.89Å
291	N	89.8	Confident	90.5	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	26%	0.256	S	S	.	.			trans	53.2	8.8	-178.2	-68.7	-69.2	0	0	0	116.3	I288 E289 L293 K294 D295	I288-N291 PolarHBondContact O-N 3.19Å; I288-N291 PolarHBondContact O-OD1 3.17Å; E289-N291 PolarHBondContact O-N 3.12Å; E289-N291 PolarHBondContact O-ND2 2.8Å; E289-N291 VanDerWaalsContact O-ND2 3.17Å; N291-L293 PolarHBondContact O-N 3.24Å; N291-K294 PolarHBondContact O-N 2.89Å; N291-D295 WeakPolarHBondContact O-CB 3.08Å; N291-D295 PolarHBondContact O-N 2.92Å
292	I	93.4	Very high	90	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.19	24%	0.243	C	C	.	.	H	α-helix	trans	-54.7	-53.6	-173.8	-64.6	163.5	0	0	0	111.5	Y280 D284 L285 N290 A296 L360	Y280-I292 HydrophobicContact CD1-CD1 3.94Å; Y280-I292 HydrophobicContact CD1-CG2 4.38Å; Y280-I292 HydrophobicContact CD2-CG2 4.35Å; Y280-I292 HydrophobicContact CE1-CD1 3.85Å; Y280-I292 HydrophobicContact CE1-CG1 4.46Å; Y280-I292 HydrophobicContact CE1-CG2 4.02Å; Y280-I292 HydrophobicContact CE2-CG2 3.98Å; D284-I292 HydrophobicContact CB-CD1 4.43Å; L285-I292 HydrophobicContact CD1-CB 4.4Å; L285-I292 HydrophobicContact CD1-CG2 3.82Å; N290-I292 HydrophobicContact CB-CD1 3.92Å; N290-I292 HydrophobicContact CB-CG1 4.01Å; N290-I292 PolarHBondContact O-N 2.89Å; I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 3.3Å; I292-L360 HydrophobicContact CG2-CD2 4.34Å
293	L	92.3	Very high	89.8	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-36.5	-177.4	-175.1	57.3	0	0	0	112.1	L285 N291 A296 I297 I303 I305 L360 L479 F482 F514	L285-L293 HydrophobicContact CD1-CB 4.11Å; L285-L293 HydrophobicContact CG-CB 4.28Å; N291-L293 PolarHBondContact O-N 3.24Å; L293-A296 PolarHBondContact O-N 3.13Å; L293-I297 HydrophobicContact CD1-CD1 4.2Å; L293-I297 HydrophobicContact CD1-CG1 4.38Å; L293-I297 HydrophobicContact CG-CD1 4.03Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.41Å; L293-I303 HydrophobicContact CD1-CG2 4.25Å; L293-I305 HydrophobicContact CD1-CD1 4.14Å; L293-I305 HydrophobicContact CD2-CD1 4.42Å; L293-L360 HydrophobicContact CD1-CD1 4.4Å; L293-L479 HydrophobicContact CB-CD1 4.08Å; L293-L479 HydrophobicContact CD2-CD1 3.93Å; L293-L479 HydrophobicContact CG-CD1 3.79Å; L293-F482 HydrophobicContact CD2-CD1 3.94Å; L293-F482 HydrophobicContact CD2-CE1 3.49Å; L293-F482 VanDerWaalsContact CD2-CE1 3.49Å; L293-F482 HydrophobicContact CD2-CZ 4.31Å; L293-F514 HydrophobicContact CD1-CE2 3.92Å; L293-F514 HydrophobicContact CD1-CZ 4.32Å; L293-F514 HydrophobicContact CD2-CE2 4.31Å; L293-F514 HydrophobicContact CD2-CZ 3.92Å; L293-F514 HydrophobicContact CG-CZ 4.47Å
294	K	91.5	Very high	89.4	Confident	55 Å²	55	43.6 Å²	43.6	24%	0.239	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-46	177.5	-170.5	-179.8	-174.2	177.5	0	111.2	N291 A296 I297 T298 E478 L479	N291-K294 PolarHBondContact O-N 2.89Å; K294-A296 VanDerWaalsContact C-N 3.33Å; K294-I297 PolarHBondContact O-N 3.45Å; K294-T298 WeakPolarHBondContact O-CB 3.49Å; K294-T298 VanDerWaalsContact O-CG2 3.28Å; K294-T298 WeakPolarHBondContact O-CG2 3.49Å; K294-T298 PolarHBondContact O-N 3.23Å; K294-T298 PolarHBondContact O-OG1 3.15Å; K294-E478 IonicContact NZ-OE1 3.93Å; K294-E478 PolarHBondContact NZ-OE1 2.99Å; K294-E478 IonicContact NZ-OE2 2.72Å; K294-E478 PolarHBondContact NZ-OE2 3.17Å; K294-L479 HydrophobicContact CB-CD1 4.32Å
295	D	91.9	Very high	89.2	Confident	88 Å²	88	40.2 Å²	40.2	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-40.8	175.3	-73.3	-7.1	0	0	0	110.8	N291 I297 T298 T299	N291-D295 WeakPolarHBondContact O-CB 3.08Å; N291-D295 PolarHBondContact O-N 2.92Å; D295-I297 PolarHBondContact O-N 2.78Å; D295-T298 WeakPolarHBondContact CA-OG1 3.27Å; D295-T298 PolarHBondContact O-N 3.1Å; D295-T298 PolarHBondContact O-OG1 3.2Å; D295-T299 WeakPolarHBondContact O-CB 3.18Å; D295-T299 WeakPolarHBondContact O-CG2 3.42Å; D295-T299 PolarHBondContact O-N 2.9Å; D295-T299 VanDerWaalsContact O-N 3.07Å; D295-T299 PolarHBondContact O-OG1 2.77Å
296	A	91.7	Very high	88.8	Confident	8 Å²	8	40.2 Å²	40.2	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-47.3	175.6	0	0	0	0	0	111.5	I292 L293 K294 T298 N300 I303 L360 T362	I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 3.3Å; L293-A296 PolarHBondContact O-N 3.13Å; K294-A296 VanDerWaalsContact C-N 3.33Å; A296-T298 PolarHBondContact O-N 3.23Å; A296-N300 WeakPolarHBondContact CA-ND2 3.33Å; A296-N300 VanDerWaalsContact O-CB 3.27Å; A296-N300 WeakPolarHBondContact O-CB 3.12Å; A296-N300 PolarHBondContact O-N 2.77Å; A296-N300 VanDerWaalsContact O-N 3.1Å; A296-N300 PolarHBondContact O-ND2 2.93Å; A296-I303 HydrophobicContact CB-CG2 4.45Å; A296-L360 HydrophobicContact CB-CD2 4.18Å; A296-T362 HydrophobicContact CB-CG2 4.15Å
297	I	90	Very high	88.6	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-179.8	-70.7	169.3	0	0	0	112.1	P213 S214 L293 K294 D295 I303 L479 F514 L541	P213-I297 HydrophobicContact CG-CG2 4.14Å; S214-I297 PolarHBondContact OG-O 3.01Å; L293-I297 HydrophobicContact CD1-CD1 4.2Å; L293-I297 HydrophobicContact CD1-CG1 4.38Å; L293-I297 HydrophobicContact CG-CD1 4.03Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.41Å; K294-I297 PolarHBondContact O-N 3.45Å; D295-I297 PolarHBondContact O-N 2.78Å; I297-I303 HydrophobicContact CB-CD1 4.39Å; I297-I303 HydrophobicContact CG1-CD1 4.22Å; I297-I303 HydrophobicContact CG1-CG1 4.19Å; I297-L479 HydrophobicContact CD1-CD1 4.03Å; I297-L479 HydrophobicContact CD1-CD2 3.92Å; I297-F514 HydrophobicContact CD1-CB 4.35Å; I297-F514 HydrophobicContact CD1-CD1 3.65Å; I297-F514 HydrophobicContact CD1-CD2 4.15Å; I297-F514 HydrophobicContact CD1-CE1 3.88Å; I297-F514 HydrophobicContact CD1-CE2 4.37Å; I297-F514 HydrophobicContact CD1-CG 3.78Å; I297-F514 HydrophobicContact CD1-CZ 4.23Å; I297-F514 HydrophobicContact CG1-CB 4.3Å; I297-F514 HydrophobicContact CG1-CD1 4.47Å; I297-F514 HydrophobicContact CG1-CD2 4.37Å; I297-F514 HydrophobicContact CG1-CG 4.13Å; I297-L541 HydrophobicContact CD1-CD1 4.47Å; I297-L541 HydrophobicContact CG2-CD1 4.13Å; I297-L541 HydrophobicContact CG2-CD2 3.62Å
298	T	87.6	Confident	88.2	Confident	80 Å²	80	37.1 Å²	37.1	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-82	-14.1	-175.1	53.9	0	0	0	0	114.6	S214 K294 D295 A296	S214-T298 WeakPolarHBondContact OG-CA 3.34Å; S214-T298 PolarHBondContact OG-O 2.98Å; K294-T298 WeakPolarHBondContact O-CB 3.49Å; K294-T298 VanDerWaalsContact O-CG2 3.28Å; K294-T298 WeakPolarHBondContact O-CG2 3.49Å; K294-T298 PolarHBondContact O-N 3.23Å; K294-T298 PolarHBondContact O-OG1 3.15Å; D295-T298 WeakPolarHBondContact CA-OG1 3.27Å; D295-T298 PolarHBondContact O-N 3.1Å; D295-T298 PolarHBondContact O-OG1 3.2Å; A296-T298 PolarHBondContact O-N 3.23Å
299	T	88.4	Confident	88.4	Confident	82 Å²	82	33.9 Å²	33.9	50%	0.503	18%	0.18	S	C	.	.	H	α-helix	trans	-117.6	-19.9	-175.7	62.8	0	0	0	0	114.5	D295	D295-T299 WeakPolarHBondContact O-CB 3.18Å; D295-T299 WeakPolarHBondContact O-CG2 3.42Å; D295-T299 PolarHBondContact O-N 2.9Å; D295-T299 VanDerWaalsContact O-N 3.07Å; D295-T299 PolarHBondContact O-OG1 2.77Å
300	N	87.4	Confident	88.3	Confident	15 Å²	15	26.1 Å²	26.1	8%	0.08	14%	0.144	C	C	.	.			trans	-108.4	146.8	-175	-61.4	-72.5	0	0	0	111.9	S214 A296 I303 T362 T363	S214-N300 WeakPolarHBondContact CB-O 3.32Å; A296-N300 WeakPolarHBondContact CA-ND2 3.33Å; A296-N300 VanDerWaalsContact O-CB 3.27Å; A296-N300 WeakPolarHBondContact O-CB 3.12Å; A296-N300 PolarHBondContact O-N 2.77Å; A296-N300 VanDerWaalsContact O-N 3.1Å; A296-N300 PolarHBondContact O-ND2 2.93Å; N300-I303 HydrophobicContact CB-CD1 4.49Å; N300-I303 HydrophobicContact CB-CG1 4.33Å; N300-T362 HydrophobicContact CB-CG2 4.35Å; N300-T363 CarbonylContact C-O 3.43Å; N300-T363 WeakPolarHBondContact CA-O 3.46Å; N300-T363 VanDerWaalsContact CB-O 3.25Å; N300-T363 WeakPolarHBondContact CB-O 3.3Å
301	Q	85.4	Confident	88.3	Confident	7 Å²	7	24 Å²	24	3%	0.033	13%	0.132	C	C	.	.	S	Bend	trans	-65.8	-44.8	179.8	-179	-169.8	-8.1	0	0	111.3	I211 G212 T363	I211-Q301 HydrophobicContact CD1-CG 3.94Å; I211-Q301 HydrophobicContact CG2-CG 4.03Å; G212-Q301 PolarHBondContact N-O 3.34Å; Q301-T363 PolarHBondContact N-O 3.41Å
302	S	84.2	Confident	88.3	Confident	7 Å²	7	22.7 Å²	22.7	5%	0.049	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.1	171.7	74.1	0	0	0	0	111.2	I210 T362 T363	I210-S302 WeakPolarHBondContact O-CB 3.4Å; S302-T362 WeakPolarHBondContact O-CA 3.44Å; S302-T363 WeakPolarHBondContact CB-OG1 3.44Å; S302-T363 PolarHBondContact N-OG1 3.4Å; S302-T363 PolarHBondContact O-N 3.38Å; S302-T363 WeakPolarHBondContact OG-CB 3.15Å; S302-T363 WeakPolarHBondContact OG-CG2 3.5Å; S302-T363 PolarHBondContact OG-OG1 3.08Å
303	I	88.1	Confident	88	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126	-177.3	-53.6	88	0	0	0	107	L293 A296 I297 N300 L360 F514	L293-I303 HydrophobicContact CD1-CG2 4.25Å; A296-I303 HydrophobicContact CB-CG2 4.45Å; I297-I303 HydrophobicContact CB-CD1 4.39Å; I297-I303 HydrophobicContact CG1-CD1 4.22Å; I297-I303 HydrophobicContact CG1-CG1 4.19Å; N300-I303 HydrophobicContact CB-CD1 4.49Å; N300-I303 HydrophobicContact CB-CG1 4.33Å; I303-L360 HydrophobicContact CG2-CD1 3.83Å; I303-F514 HydrophobicContact CB-CD2 4.28Å; I303-F514 HydrophobicContact CG2-CD2 4.07Å; I303-F514 PolarHBondContact O-N 3.14Å
304	E	86.1	Confident	87.5	Confident	5 Å²	5	28 Å²	28	2%	0.023	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.5	176.3	-176.3	180	-108.7	0	0	110.2	I306 R361 R511 I512 Q513	E304-I306 HydrophobicContact CG-CG1 4.17Å; E304-R361 HydrophobicContact CB-CB 4.35Å; E304-R361 VanDerWaalsContact CD-NH2 3.33Å; E304-R361 PolarHBondContact N-O 2.92Å; E304-R361 PolarHBondContact O-N 3.15Å; E304-R361 IonicContact OE1-NH2 2.65Å; E304-R361 PolarHBondContact OE1-NH2 3.39Å; E304-R361 IonicContact OE2-CZ 3.37Å; E304-R361 IonicContact OE2-NE 3.85Å; E304-R361 PolarHBondContact OE2-NE 3.26Å; E304-R361 IonicContact OE2-NH2 3.77Å; E304-R361 PolarHBondContact OE2-NH2 2.86Å; E304-R511 HydrophobicContact CG-CG 4.14Å; E304-R511 IonicContact OE1-CZ 3.28Å; E304-R511 IonicContact OE1-NE 3.52Å; E304-R511 PolarHBondContact OE1-NE 3.16Å; E304-R511 IonicContact OE1-NH2 3.74Å; E304-R511 PolarHBondContact OE1-NH2 2.96Å; E304-I512 CarbonylContact C-O 3.13Å; E304-I512 VanDerWaalsContact CA-O 3.25Å; E304-I512 WeakPolarHBondContact CA-O 3.49Å; E304-Q513 HydrophobicContact CB-CG 4.33Å; E304-Q513 HydrophobicContact CG-CG 4.02Å; E304-Q513 PolarHBondContact OE1-NE2 2.99Å
305	I	89.5	Confident	86.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.5	171.6	-62.9	164.6	0	0	0	107.8	W282 L285 L293 L358 L359 L360 F482 R511 I512 F514	W282-I305 HydrophobicContact CH2-CG2 4.09Å; W282-I305 HydrophobicContact CZ2-CG2 4.45Å; L285-I305 HydrophobicContact CD2-CD1 3.7Å; L285-I305 HydrophobicContact CD2-CG1 4.27Å; L293-I305 HydrophobicContact CD1-CD1 4.14Å; L293-I305 HydrophobicContact CD2-CD1 4.42Å; I305-L358 HydrophobicContact CG2-CB 4.32Å; I305-L358 HydrophobicContact CG2-CD1 3.86Å; I305-L358 HydrophobicContact CG2-CD2 4.31Å; I305-L358 HydrophobicContact CG2-CG 4.37Å; I305-L359 WeakPolarHBondContact CA-O 3.35Å; I305-L360 HydrophobicContact CG1-CD1 3.82Å; I305-F482 HydrophobicContact CD1-CZ 4.41Å; I305-R511 CarbonylContact O-C 3.59Å; I305-R511 VanDerWaalsContact O-CA 3.29Å; I305-R511 WeakPolarHBondContact O-CA 3.26Å; I305-I512 HydrophobicContact CB-CB 4.09Å; I305-I512 HydrophobicContact CB-CG1 4.49Å; I305-I512 HydrophobicContact CD1-CB 4.38Å; I305-I512 HydrophobicContact CD1-CD1 4.29Å; I305-I512 PolarHBondContact N-O 3.37Å; I305-I512 PolarHBondContact O-N 3.25Å; I305-F514 HydrophobicContact CD1-CE2 3.89Å; I305-F514 HydrophobicContact CD1-CZ 4.49Å
306	I	84.8	Confident	85.8	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.4	178.2	-58.7	-174.7	0	0	0	106.5	E304 L359 V406 L408 L438	E304-I306 HydrophobicContact CG-CG1 4.17Å; I306-L359 HydrophobicContact CB-CB 4.06Å; I306-L359 HydrophobicContact CB-CD2 4.41Å; I306-L359 HydrophobicContact CB-CG 4.39Å; I306-L359 HydrophobicContact CD1-CD2 3.97Å; I306-L359 HydrophobicContact CD1-CG 4.5Å; I306-L359 HydrophobicContact CG2-CB 4.48Å; I306-L359 PolarHBondContact N-O 3.47Å; I306-L359 PolarHBondContact O-N 3.39Å; I306-V406 HydrophobicContact CD1-CG1 3.57Å; I306-L408 HydrophobicContact CB-CD1 4.21Å; I306-L408 HydrophobicContact CB-CD2 4.06Å; I306-L408 HydrophobicContact CB-CG 4.37Å; I306-L408 HydrophobicContact CD1-CD1 3.72Å; I306-L408 HydrophobicContact CD1-CG 4.35Å; I306-L408 HydrophobicContact CG1-CD1 3.55Å; I306-L408 HydrophobicContact CG1-CD2 4.34Å; I306-L408 HydrophobicContact CG1-CG 4.21Å; I306-L408 HydrophobicContact CG2-CD1 4.05Å; I306-L408 HydrophobicContact CG2-CD2 3.4Å; I306-L408 HydrophobicContact CG2-CG 3.69Å; I306-L438 HydrophobicContact CG2-CD1 4.34Å
307	Y	87.2	Confident	84.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.7	-179.9	164.8	-110.2	0	0	0	111.1	W282 P309 I353 D356 L358 L490 L493 G509 L510	W282-Y307 AromaticContact CD1-CD2 3.96Å; W282-Y307 AromaticContact CD1-CE2 3.8Å; W282-Y307 HydrophobicContact CZ2-CD1 4.33Å; W282-Y307 HydrophobicContact CZ2-CD2 4.45Å; W282-Y307 AromaticContact CZ2-CG 3.97Å; W282-Y307 HydrophobicContact CZ2-CG 3.97Å; W282-Y307 AromaticContact NE1-CD1 3.88Å; W282-Y307 AromaticContact NE1-CD2 3.14Å; W282-Y307 AromaticContact NE1-CE1 3.97Å; W282-Y307 AromaticContact NE1-CE2 3.29Å; W282-Y307 VanDerWaalsContact NE1-CE2 3.29Å; W282-Y307 AromaticContact NE1-CG 3.45Å; W282-Y307 AromaticContact NE1-CZ 3.68Å; Y307-P309 HydrophobicContact CE1-CB 4.16Å; Y307-P309 WeakPolarHBondContact OH-CA 3.29Å; Y307-P309 VanDerWaalsContact OH-CB 3.29Å; Y307-P309 WeakPolarHBondContact OH-CB 3.47Å; Y307-I353 WeakPolarHBondContact OH-CG1 3.49Å; Y307-D356 HydrophobicContact CE2-CB 3.57Å; Y307-D356 PolarHBondContact OH-OD2 2.9Å; Y307-L358 HydrophobicContact CD2-CB 4.33Å; Y307-L490 HydrophobicContact CE1-CD2 4.24Å; Y307-L493 HydrophobicContact CE1-CD1 4.44Å; Y307-G509 CarbonylContact O-C 3.6Å; Y307-G509 WeakPolarHBondContact O-CA 3.36Å; Y307-L510 HydrophobicContact CD1-CD2 3.48Å; Y307-L510 VanDerWaalsContact CD1-CD2 3.48Å; Y307-L510 HydrophobicContact CD1-CG 3.65Å; Y307-L510 HydrophobicContact CE1-CD2 4.12Å; Y307-L510 HydrophobicContact CG-CD2 4.36Å; Y307-L510 HydrophobicContact CG-CG 4.22Å; Y307-L510 PolarHBondContact N-O 2.92Å; Y307-L510 PolarHBondContact O-N 2.82Å
308	L	84.4	Confident	82	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.068	20%	0.203	C	C	.	.			trans	-128.4	124.3	172.7	-63.9	176.5	0	0	0	107.7	N311 L431 A434 H435 L438	L308-N311 PolarHBondContact O-ND2 2.96Å; L308-L431 HydrophobicContact CD2-CD2 4.44Å; L308-A434 HydrophobicContact CD1-CB 3.92Å; L308-H435 HydrophobicContact CB-CB 4.22Å; L308-H435 HydrophobicContact CD1-CB 4.26Å; L308-L438 HydrophobicContact CD1-CD1 3.65Å
309	P	85.6	Confident	79.7	Confident	2 Å²	2	37 Å²	37	1%	0.013	21%	0.212	C	C	.	.	S	Bend	trans	-74.9	174.4	-172.9	28.9	-34.4	0	0	0	113.6	Y307 N311 W351 D356 L431 L508	Y307-P309 HydrophobicContact CE1-CB 4.16Å; Y307-P309 WeakPolarHBondContact OH-CA 3.29Å; Y307-P309 VanDerWaalsContact OH-CB 3.29Å; Y307-P309 WeakPolarHBondContact OH-CB 3.47Å; P309-N311 PolarHBondContact O-N 2.85Å; P309-W351 HydrophobicContact CB-CH2 4.43Å; P309-W351 HydrophobicContact CB-CZ2 3.68Å; P309-D356 WeakPolarHBondContact CA-OD2 3.5Å; P309-L431 HydrophobicContact CG-CD1 3.73Å; P309-L508 HydrophobicContact CG-CB 3.59Å
310	Y	86.4	Confident	77	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.012	23%	0.228	C	C	.	.	S	Bend	trans	69.3	9.3	175.2	-50.1	-75.9	0	0	0	115.4	S312 C313 L348 W351 D356 P428 L431 A497 Y504 L508	Y310-S312 VanDerWaalsContact C-N 3.27Å; Y310-S312 PolarHBondContact O-N 2.86Å; Y310-C313 WeakPolarHBondContact O-CB 3.39Å; Y310-C313 PolarHBondContact O-N 3.04Å; Y310-L348 HydrophobicContact CD1-CD2 4.27Å; Y310-L348 HydrophobicContact CE1-CD2 4.36Å; Y310-W351 AromaticContact CD1-CD2 3.51Å; Y310-W351 HydrophobicContact CD1-CD2 3.51Å; Y310-W351 AromaticContact CD1-CE2 3.65Å; Y310-W351 AromaticContact CD1-CE3 3.73Å; Y310-W351 HydrophobicContact CD1-CE3 3.73Å; Y310-W351 AromaticContact CD1-CG 3.98Å; Y310-W351 HydrophobicContact CD1-CG 3.98Å; Y310-W351 HydrophobicContact CD1-CH2 4.19Å; Y310-W351 HydrophobicContact CD1-CZ2 4.01Å; Y310-W351 HydrophobicContact CD1-CZ3 4.08Å; Y310-W351 AromaticContact CE1-CD2 3.68Å; Y310-W351 HydrophobicContact CE1-CD2 3.68Å; Y310-W351 AromaticContact CE1-CE2 3.94Å; Y310-W351 AromaticContact CE1-CE3 3.38Å; Y310-W351 HydrophobicContact CE1-CE3 3.38Å; Y310-W351 AromaticContact CE1-CH2 3.64Å; Y310-W351 HydrophobicContact CE1-CH2 3.64Å; Y310-W351 AromaticContact CE1-CZ2 3.93Å; Y310-W351 HydrophobicContact CE1-CZ2 3.93Å; Y310-W351 AromaticContact CE1-CZ3 3.36Å; Y310-W351 HydrophobicContact CE1-CZ3 3.36Å; Y310-W351 HydrophobicContact CG-CZ2 4.48Å; Y310-W351 AromaticContact CZ-CH2 3.88Å; Y310-W351 AromaticContact CZ-CZ3 3.93Å; Y310-D356 PolarHBondContact N-OD2 2.86Å; Y310-P428 HydrophobicContact CD1-CB 3.93Å; Y310-P428 HydrophobicContact CD2-CB 3.89Å; Y310-P428 HydrophobicContact CD2-CG 4.49Å; Y310-P428 HydrophobicContact CE1-CB 4.12Å; Y310-P428 HydrophobicContact CE1-CG 4.19Å; Y310-P428 HydrophobicContact CE2-CB 4.09Å; Y310-P428 HydrophobicContact CE2-CG 4.19Å; Y310-P428 HydrophobicContact CG-CB 3.79Å; Y310-L431 HydrophobicContact CD2-CB 4.28Å; Y310-L431 HydrophobicContact CD2-CD1 4.08Å; Y310-L431 HydrophobicContact CE2-CD1 4Å; Y310-A497 WeakPolarHBondContact OH-CB 3.29Å; Y310-Y504 WeakPolarHBondContact OH-CE1 3.38Å; Y310-L508 HydrophobicContact CE2-CD1 3.95Å; Y310-L508 WeakPolarHBondContact OH-CD1 3.45Å
311	N	87.8	Confident	74.3	Confident	21 Å²	21	47 Å²	47	11%	0.112	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16	-178.1	70.6	64.8	0	0	0	112.7	L308 P309 D356 E357 H435	L308-N311 PolarHBondContact O-ND2 2.96Å; P309-N311 PolarHBondContact O-N 2.85Å; N311-D356 PolarHBondContact N-OD1 2.83Å; N311-D356 WeakPolarHBondContact OD1-CA 3.14Å; N311-E357 PolarHBondContact ND2-O 3.22Å; N311-E357 PolarHBondContact OD1-N 3.06Å; N311-H435 HydrophobicContact CB-CB 4Å; N311-H435 WeakPolarHBondContact CB-ND1 3.48Å
312	S	90.3	Very high	71.7	Confident	35 Å²	35	54.1 Å²	54.1	25%	0.245	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-17	169.9	93	0	0	0	0	113.6	Y310 N352 D356	Y310-S312 VanDerWaalsContact C-N 3.27Å; Y310-S312 PolarHBondContact O-N 2.86Å; S312-N352 PolarHBondContact OG-N 3.28Å; S312-N352 PolarHBondContact OG-O 3.48Å; S312-D356 VanDerWaalsContact CB-OD1 3.22Å; S312-D356 WeakPolarHBondContact CB-OD1 3.4Å; S312-D356 PolarHBondContact N-OD1 2.96Å; S312-D356 PolarHBondContact OG-OD1 3.35Å
313	C	86.6	Confident	69.1	Low	4 Å²	4	61.1 Å²	61.1	3%	0.027	34%	0.338	C	S	.	.	S	Bend	trans	-62.4	142.2	-176.3	-68.1	0	0	0	0	111.2	Y310 M346 W351 K432	Y310-C313 WeakPolarHBondContact O-CB 3.39Å; Y310-C313 PolarHBondContact O-N 3.04Å; C313-M346 HydrophobicContact CB-CE 3.28Å; C313-W351 WeakPolarHBondContact SG-CB 3.42Å; C313-W351 VanDerWaalsContact SG-CD1 3.59Å; C313-W351 VanDerWaalsContact SG-CG 3.5Å; C313-K432 PolarHBondContact O-NZ 3.3Å
314	R	82.1	Confident	66.5	Low	150 Å²	150	68.5 Å²	68.5	57%	0.566	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.7	171.5	-63	179.7	-179.1	-173.7	-0.6	110.7	D347 S350	R314-D347 HydrophobicContact CB-CB 4.42Å; R314-D347 PolarHBondContact O-N 3.44Å; R314-S350 PolarHBondContact N-OG 2.84Å
315	T	76.3	Confident	63.8	Low	46 Å²	46	75.9 Å²	75.9	28%	0.282	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.4	169.7	-47.9	0	0	0	0	108.2	H341 K432	T315-H341 WeakPolarHBondContact CG2-O 3.38Å; T315-K432 PolarHBondContact OG1-NZ 2.78Å
316	L	72.2	Confident	61.2	Low	91 Å²	91	81.4 Å²	81.4	48%	0.476	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.4	174.9	-63.9	162.4	0	0	0	108.2	S318 G344 L345 D347	L316-S318 PolarHBondContact O-N 2.8Å; L316-G344 WeakPolarHBondContact O-CA 3.42Å; L316-L345 HydrophobicContact CB-CB 4.49Å; L316-L345 WeakPolarHBondContact CB-O 3.33Å; L316-L345 PolarHBondContact N-O 3.13Å; L316-L345 PolarHBondContact O-N 3.25Å; L316-D347 HydrophobicContact CD1-CB 4.03Å; L316-D347 HydrophobicContact CG-CB 4.15Å
317	S	58.4	Low	58.5	Low	69 Å²	69	87.8 Å²	87.8	48%	0.483	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-73.5	124.7	171.8	47.8	0	0	0	0	109.5	T319	S317-T319 PolarHBondContact O-N 2.65Å
318	S	42.6	Very low	55.8	Low	109 Å²	109	95.2 Å²	95.2	76%	0.762	53%	0.53	S	S	*	.			trans	-75.8	73.5	169.3	59.3	0	0	0	0	109.6	L316 N320	L316-S318 PolarHBondContact O-N 2.8Å; S318-N320 VanDerWaalsContact C-N 3.34Å; S318-N320 PolarHBondContact O-N 2.81Å; S318-N320 VanDerWaalsContact O-N 3.16Å
319	T	39.3	Very low	53.4	Low	113 Å²	113	97.3 Å²	97.3	69%	0.693	55%	0.549	S	S	*	.			trans	-79.9	91.2	162.3	45.4	0	0	0	0	108.1	S317 D321	S317-T319 PolarHBondContact O-N 2.65Å; T319-D321 PolarHBondContact O-N 2.8Å
320	N	31.5	Very low	51	Low	157 Å²	157	103.4 Å²	103.4	84%	0.84	59%	0.586	S	S	*	*			trans	-61.1	94.6	150.7	-87.8	-20	0	0	0	106.8	S318	S318-N320 VanDerWaalsContact C-N 3.34Å; S318-N320 PolarHBondContact O-N 2.81Å; S318-N320 VanDerWaalsContact O-N 3.16Å
321	D	31.7	Very low	48.4	Very low	150 Å²	150	108.6 Å²	108.6	80%	0.802	62%	0.618	S	S	*	*			trans	-148.6	119.2	151.9	-91.5	-34.7	0	0	0	109.7	T319 N323	T319-D321 PolarHBondContact O-N 2.8Å; D321-N323 PolarHBondContact O-N 2.88Å; D321-N323 VanDerWaalsContact O-N 3.1Å
322	N	29.9	Very low	46.1	Very low	155 Å²	155	113.3 Å²	113.3	83%	0.829	64%	0.643	S	S	*	*			trans	-54	111	166.8	-65.9	-57.6	0	0	0	108.8
323	N	30.8	Very low	43.2	Very low	154 Å²	154	118.2 Å²	118.2	82%	0.824	67%	0.666	S	S	*	*			trans	169.2	140.3	131.6	-81.1	-27.8	0	0	0	110.2	D321	D321-N323 PolarHBondContact O-N 2.88Å; D321-N323 VanDerWaalsContact O-N 3.1Å
324	D	32.9	Very low	40.6	Very low	155 Å²	155	121.5 Å²	121.5	83%	0.829	70%	0.701	S	S	*	*			trans	-43.5	130.8	-178.4	-62.5	-57.9	0	0	0	114.9
325	I	30.4	Very low	38	Very low	161 Å²	161	120.8 Å²	120.8	83%	0.826	71%	0.708	S	S	*	*			trans	174.2	146.4	141.6	-85.2	150.9	0	0	0	107.8
326	P	33.1	Very low	35.9	Very low	115 Å²	115	126.9 Å²	126.9	75%	0.747	74%	0.739	S	S	*	*			trans	-70.4	142.2	-164.1	-1.9	17.9	0	0	0	112.4	D328	P326-D328 PolarHBondContact O-N 2.87Å; P326-D328 VanDerWaalsContact O-N 3.08Å
327	T	29.7	Very low	34.4	Very low	140 Å²	140	125.1 Å²	125.1	86%	0.859	73%	0.732	S	S	*	*			trans	-59.9	100.9	178.2	46.8	0	0	0	0	112.4
328	D	29.8	Very low	33.4	Very low	157 Å²	157	128 Å²	128	84%	0.84	74%	0.742	S	S	*	*			trans	-81.1	119.9	156.7	-83.3	-26.7	0	0	0	108.7	P326 V330	P326-D328 PolarHBondContact O-N 2.87Å; P326-D328 VanDerWaalsContact O-N 3.08Å; D328-V330 PolarHBondContact O-N 3.39Å
329	A	33.7	Very low	33.3	Very low	56 Å²	56	128.3 Å²	128.3	46%	0.463	74%	0.735	S	S	.	*			trans	-62.4	125.3	175.6	0	0	0	0	0	109.9	V331	A329-V331 PolarHBondContact O-N 2.86Å; A329-V331 VanDerWaalsContact O-N 3.09Å
330	V	35	Very low	33.5	Very low	131 Å²	131	128.7 Å²	128.7	79%	0.794	73%	0.733	S	S	*	*			trans	-66.1	111	171.5	-180	0	0	0	0	107.9	D328 D332	D328-V330 PolarHBondContact O-N 3.39Å; V330-D332 PolarHBondContact O-N 3.31Å
331	V	33.4	Very low	34.2	Very low	112 Å²	112	127 Å²	127	68%	0.679	72%	0.72	S	S	*	*			trans	-75.8	114.7	167.2	-177.3	0	0	0	0	106.5	A329 N333	A329-V331 PolarHBondContact O-N 2.86Å; A329-V331 VanDerWaalsContact O-N 3.09Å; V331-N333 PolarHBondContact O-N 3.12Å
332	D	37.8	Very low	35.3	Very low	120 Å²	120	120.8 Å²	120.8	64%	0.642	69%	0.686	S	S	*	*			trans	-68.3	90.5	-176	-158	1.9	0	0	0	110.2	V330 G334	V330-D332 PolarHBondContact O-N 3.31Å; D332-G334 VanDerWaalsContact C-N 3.28Å; D332-G334 PolarHBondContact O-N 2.72Å; D332-G334 VanDerWaalsContact O-N 3.08Å
333	N	29.4	Very low	36.4	Very low	137 Å²	137	118.5 Å²	118.5	73%	0.733	67%	0.674	S	S	*	*			trans	-82.9	72.2	177.5	-87.2	-21.3	0	0	0	110.2	V331 N335	V331-N333 PolarHBondContact O-N 3.12Å; N333-N335 PolarHBondContact O-N 2.95Å
334	G	32.1	Very low	37.7	Very low	73 Å²	73	111.8 Å²	111.8	75%	0.753	64%	0.642	S	S	*	*	S	Bend	trans	51.3	4.4	144.9	0	0	0	0	0	121.5	D332	D332-G334 VanDerWaalsContact C-N 3.28Å; D332-G334 PolarHBondContact O-N 2.72Å; D332-G334 VanDerWaalsContact O-N 3.08Å
335	N	28.8	Very low	39.4	Very low	135 Å²	135	111 Å²	111	72%	0.722	64%	0.637	S	S	*	*	S	Bend	trans	-127.8	116.1	-174.8	-71.8	-21.6	0	0	0	110.3	N333	N333-N335 PolarHBondContact O-N 2.95Å
336	D	32.5	Very low	41.7	Very low	174 Å²	174	104.7 Å²	104.7	93%	0.93	60%	0.604	S	S	*	*			trans	42.1	78.3	161	-60.3	-24.4	0	0	0	115.8
337	V	38.9	Very low	44	Very low	55 Å²	55	101.3 Å²	101.3	33%	0.333	58%	0.58	S	S	.	*			trans	-107.8	116.9	169.5	-169.5	0	0	0	0	109	H341	V337-H341 HydrophobicContact CG1-CB 3.52Å
338	D	38.3	Very low	46.5	Very low	128 Å²	128	98.2 Å²	98.2	68%	0.684	56%	0.558	S	S	*	*			trans	-44.5	137.3	170.3	-112.8	-26.1	0	0	0	111.1	N340 H341	D338-N340 PolarHBondContact O-N 3.5Å; D338-H341 PolarHBondContact O-N 3.05Å; D338-H341 VanDerWaalsContact O-N 3.1Å
339	D	41	Very low	49.1	Very low	116 Å²	116	99.8 Å²	99.8	62%	0.62	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-48.3	-20	179.3	-82.9	-38.8	0	0	0	113.9	H341	D339-H341 VanDerWaalsContact C-N 3.29Å; D339-H341 PolarHBondContact O-N 2.94Å
340	N	42.1	Very low	51.5	Low	122 Å²	122	98.7 Å²	98.7	65%	0.652	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-70.1	-13.4	-179.5	-67.6	-29.7	0	0	0	115	D338	D338-N340 PolarHBondContact O-N 3.5Å
341	H	47.9	Very low	54.1	Low	120 Å²	120	93.2 Å²	93.2	56%	0.556	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-85.6	-13.1	-176.5	-105.9	-48.7	0	0	0	115.1	T315 V337 D338 D339 D343	T315-H341 WeakPolarHBondContact CG2-O 3.38Å; V337-H341 HydrophobicContact CG1-CB 3.52Å; D338-H341 PolarHBondContact O-N 3.05Å; D338-H341 VanDerWaalsContact O-N 3.1Å; D339-H341 VanDerWaalsContact C-N 3.29Å; D339-H341 PolarHBondContact O-N 2.94Å; H341-D343 PolarHBondContact O-N 3.26Å
342	I	53.4	Low	56.8	Low	20 Å²	20	91.4 Å²	91.4	10%	0.103	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-79	-5.5	175.1	-58	176.8	0	0	0	111	G344 K429 R433 H436	I342-G344 VanDerWaalsContact C-N 3.27Å; I342-G344 PolarHBondContact O-N 2.91Å; I342-K429 HydrophobicContact CG2-CG 4.35Å; I342-K429 VanDerWaalsContact O-CE 3.23Å; I342-K429 WeakPolarHBondContact O-CE 3.3Å; I342-R433 HydrophobicContact CG2-CB 4.2Å; I342-H436 HydrophobicContact CD1-CB 3.77Å
343	D	53.8	Low	59.3	Low	107 Å²	107	86.3 Å²	86.3	57%	0.572	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-75.9	-7.1	180	-90.3	-23.2	0	0	0	115.9	H341 K429	H341-D343 PolarHBondContact O-N 3.26Å; D343-K429 PolarHBondContact O-NZ 3Å; D343-K429 WeakPolarHBondContact OD1-CE 3.32Å; D343-K429 IonicContact OD1-NZ 2.81Å; D343-K429 PolarHBondContact OD1-NZ 3.37Å
344	G	58.8	Low	62.2	Low	14 Å²	14	83.4 Å²	83.4	14%	0.144	46%	0.455	C	S	.	.	S	Bend	trans	-69.2	164.8	176.1	0	0	0	0	0	114.5	L316 I342 M346	L316-G344 WeakPolarHBondContact O-CA 3.42Å; I342-G344 VanDerWaalsContact C-N 3.27Å; I342-G344 PolarHBondContact O-N 2.91Å; G344-M346 PolarHBondContact O-N 3.28Å
345	L	68.6	Low	65.1	Low	139 Å²	139	83.1 Å²	83.1	73%	0.728	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.6	177	-133.1	106.9	0	0	0	109.4	L316	L316-L345 HydrophobicContact CB-CB 4.49Å; L316-L345 WeakPolarHBondContact CB-O 3.33Å; L316-L345 PolarHBondContact N-O 3.13Å; L316-L345 PolarHBondContact O-N 3.25Å
346	M	77.3	Confident	68.1	Low	27 Å²	27	76.7 Å²	76.7	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129	177.9	-69.5	-148	74.6	0	0	111.1	C313 G344 L348 P428 K429 K432	C313-M346 HydrophobicContact CB-CE 3.28Å; G344-M346 PolarHBondContact O-N 3.28Å; M346-L348 HydrophobicContact CB-CD2 4.39Å; M346-L348 PolarHBondContact O-N 2.98Å; M346-L348 VanDerWaalsContact O-N 3.16Å; M346-P428 HydrophobicContact SD-CB 4.11Å; M346-K429 HydrophobicContact CG-CB 4.28Å; M346-K429 WeakPolarHBondContact SD-CA 3.26Å; M346-K429 HydrophobicContact SD-CB 3.99Å; M346-K429 PolarHBondContact SD-N 3.38Å; M346-K432 HydrophobicContact CE-CB 4.19Å; M346-K432 HydrophobicContact CE-CD 3.3Å; M346-K432 HydrophobicContact CE-CG 4.35Å; M346-K432 HydrophobicContact SD-CB 4.41Å; M346-K432 HydrophobicContact SD-CD 4.33Å
347	D	82.7	Confident	71	Confident	45 Å²	45	70.7 Å²	70.7	24%	0.241	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	86.9	170	-179	9.4	0	0	0	109.9	R314 L316 Q349 S350	R314-D347 HydrophobicContact CB-CB 4.42Å; R314-D347 PolarHBondContact O-N 3.44Å; L316-D347 HydrophobicContact CD1-CB 4.03Å; L316-D347 HydrophobicContact CG-CB 4.15Å; D347-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; D347-Q349 PolarHBondContact OD1-N 3.14Å; D347-Q349 VanDerWaalsContact OD1-N 3.13Å; D347-S350 WeakPolarHBondContact O-CB 3.29Å; D347-S350 PolarHBondContact O-N 2.93Å; D347-S350 VanDerWaalsContact O-N 3.1Å; D347-S350 PolarHBondContact O-OG 3.13Å; D347-S350 PolarHBondContact OD1-N 3.12Å; D347-S350 WeakPolarHBondContact OD2-CB 3.48Å
348	L	81.6	Confident	73.5	Confident	75 Å²	75	68.1 Å²	68.1	39%	0.393	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-63	-23.4	178.9	-62.4	176.2	0	0	0	112.9	Y310 M346 S350 W351 P428	Y310-L348 HydrophobicContact CD1-CD2 4.27Å; Y310-L348 HydrophobicContact CE1-CD2 4.36Å; M346-L348 HydrophobicContact CB-CD2 4.39Å; M346-L348 PolarHBondContact O-N 2.98Å; M346-L348 VanDerWaalsContact O-N 3.16Å; L348-S350 PolarHBondContact O-N 3.48Å; L348-W351 VanDerWaalsContact O-CB 3.32Å; L348-W351 WeakPolarHBondContact O-CB 3.48Å; L348-W351 PolarHBondContact O-N 3.11Å; L348-P428 HydrophobicContact CD2-CB 3.69Å; L348-P428 HydrophobicContact CD2-CG 3.86Å
349	Q	83.5	Confident	75.9	Confident	190 Å²	190	62.1 Å²	62.1	89%	0.888	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-71.4	-21.5	176.8	-61.6	-171.6	-8.3	0	0	112.3	D347 W351	D347-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.45Å; D347-Q349 PolarHBondContact OD1-N 3.14Å; D347-Q349 VanDerWaalsContact OD1-N 3.13Å; Q349-W351 VanDerWaalsContact C-N 3.29Å
350	S	85.6	Confident	78.3	Confident	32 Å²	32	56.7 Å²	56.7	22%	0.224	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-83	-4.1	174.8	73.7	0	0	0	0	113.9	R314 D347 L348 N352	R314-S350 PolarHBondContact N-OG 2.84Å; D347-S350 WeakPolarHBondContact O-CB 3.29Å; D347-S350 PolarHBondContact O-N 2.93Å; D347-S350 VanDerWaalsContact O-N 3.1Å; D347-S350 PolarHBondContact O-OG 3.13Å; D347-S350 PolarHBondContact OD1-N 3.12Å; D347-S350 WeakPolarHBondContact OD2-CB 3.48Å; L348-S350 PolarHBondContact O-N 3.48Å; S350-N352 PolarHBondContact O-N 3.17Å
351	W	89.5	Confident	80.3	Confident	17 Å²	17	51.2 Å²	51.2	6%	0.064	26%	0.26	C	S	.	.			trans	-66.4	126.1	-180	-170.8	27.1	0	0	0	110.5	P309 Y310 C313 L348 Q349 I353 D356 A497	P309-W351 HydrophobicContact CB-CH2 4.43Å; P309-W351 HydrophobicContact CB-CZ2 3.68Å; Y310-W351 AromaticContact CD1-CD2 3.51Å; Y310-W351 HydrophobicContact CD1-CD2 3.51Å; Y310-W351 AromaticContact CD1-CE2 3.65Å; Y310-W351 AromaticContact CD1-CE3 3.73Å; Y310-W351 HydrophobicContact CD1-CE3 3.73Å; Y310-W351 AromaticContact CD1-CG 3.98Å; Y310-W351 HydrophobicContact CD1-CG 3.98Å; Y310-W351 HydrophobicContact CD1-CH2 4.19Å; Y310-W351 HydrophobicContact CD1-CZ2 4.01Å; Y310-W351 HydrophobicContact CD1-CZ3 4.08Å; Y310-W351 AromaticContact CE1-CD2 3.68Å; Y310-W351 HydrophobicContact CE1-CD2 3.68Å; Y310-W351 AromaticContact CE1-CE2 3.94Å; Y310-W351 AromaticContact CE1-CE3 3.38Å; Y310-W351 HydrophobicContact CE1-CE3 3.38Å; Y310-W351 AromaticContact CE1-CH2 3.64Å; Y310-W351 HydrophobicContact CE1-CH2 3.64Å; Y310-W351 AromaticContact CE1-CZ2 3.93Å; Y310-W351 HydrophobicContact CE1-CZ2 3.93Å; Y310-W351 AromaticContact CE1-CZ3 3.36Å; Y310-W351 HydrophobicContact CE1-CZ3 3.36Å; Y310-W351 HydrophobicContact CG-CZ2 4.48Å; Y310-W351 AromaticContact CZ-CH2 3.88Å; Y310-W351 AromaticContact CZ-CZ3 3.93Å; C313-W351 WeakPolarHBondContact SG-CB 3.42Å; C313-W351 VanDerWaalsContact SG-CD1 3.59Å; C313-W351 VanDerWaalsContact SG-CG 3.5Å; L348-W351 VanDerWaalsContact O-CB 3.32Å; L348-W351 WeakPolarHBondContact O-CB 3.48Å; L348-W351 PolarHBondContact O-N 3.11Å; Q349-W351 VanDerWaalsContact C-N 3.29Å; W351-I353 HydrophobicContact CH2-CD1 4.09Å; W351-I353 HydrophobicContact CH2-CG1 4.43Å; W351-I353 HydrophobicContact CZ2-CB 4.1Å; W351-I353 HydrophobicContact CZ2-CD1 3.83Å; W351-I353 HydrophobicContact CZ2-CG1 3.72Å; W351-D356 PolarHBondContact NE1-OD1 3.34Å; W351-D356 PolarHBondContact NE1-OD2 3.4Å; W351-A497 HydrophobicContact CH2-CB 3.93Å; W351-A497 HydrophobicContact CZ3-CB 3.52Å
352	N	89.7	Confident	82.2	Confident	74 Å²	74	45.9 Å²	45.9	40%	0.396	24%	0.235	S	C	.	.			trans	-126.8	107.5	167.7	179.6	-4.8	0	0	0	107.8	S312 S350 E354 E355 D356	S312-N352 PolarHBondContact OG-N 3.28Å; S312-N352 PolarHBondContact OG-O 3.48Å; S350-N352 PolarHBondContact O-N 3.17Å; N352-E354 PolarHBondContact O-N 3.01Å; N352-E354 PolarHBondContact OD1-N 3.45Å; N352-E354 VanDerWaalsContact OD1-N 3.13Å; N352-E355 HydrophobicContact CB-CB 4.09Å; N352-E355 HydrophobicContact CB-CG 4.22Å; N352-E355 WeakPolarHBondContact ND2-CG 3.43Å; N352-E355 PolarHBondContact O-N 3.19Å; N352-D356 PolarHBondContact O-N 2.8Å
353	I	89.8	Confident	83.5	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.067	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.1	-174.6	-157.6	172.5	0	0	0	113.2	Y307 W351 E355 D356 L490 L493 H494	Y307-I353 WeakPolarHBondContact OH-CG1 3.49Å; W351-I353 HydrophobicContact CH2-CD1 4.09Å; W351-I353 HydrophobicContact CH2-CG1 4.43Å; W351-I353 HydrophobicContact CZ2-CB 4.1Å; W351-I353 HydrophobicContact CZ2-CD1 3.83Å; W351-I353 HydrophobicContact CZ2-CG1 3.72Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-D356 PolarHBondContact O-N 3.04Å; I353-L490 HydrophobicContact CD1-CB 4.05Å; I353-L490 HydrophobicContact CD1-CD2 3.94Å; I353-L490 WeakPolarHBondContact CD1-O 3.48Å; I353-L490 HydrophobicContact CG1-CD2 4.15Å; I353-L490 HydrophobicContact CG2-CB 4.24Å; I353-L493 HydrophobicContact CD1-CB 4.15Å; I353-H494 HydrophobicContact CD1-CB 4.35Å
354	E	89.5	Confident	84.9	Confident	76 Å²	76	45.5 Å²	45.5	36%	0.355	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-78.2	-18.5	177.5	-61.7	-168.5	151.4	0	0	112.9	W282 S283 N352 H487	W282-E354 WeakPolarHBondContact CB-O 3.35Å; S283-E354 PolarHBondContact N-O 2.82Å; S283-E354 PolarHBondContact OG-O 3.19Å; N352-E354 PolarHBondContact O-N 3.01Å; N352-E354 PolarHBondContact OD1-N 3.45Å; N352-E354 VanDerWaalsContact OD1-N 3.13Å; E354-H487 IonicContact OE1-CE1 2.65Å; E354-H487 PolarHBondContact OE1-CE1 3.36Å; E354-H487 VanDerWaalsContact OE1-CE1 3.25Å; E354-H487 IonicContact OE1-ND1 2.57Å; E354-H487 PolarHBondContact OE1-ND1 2.89Å
355	E	93	Very high	85.7	Confident	67 Å²	67	48.2 Å²	48.2	31%	0.313	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-96.4	-2.5	176.1	-68.5	-63.9	124.6	0	0	112.8	K281 S283 N352 I353	K281-E355 WeakPolarHBondContact CD-OE2 3.42Å; K281-E355 IonicContact NZ-OE2 3.36Å; K281-E355 PolarHBondContact NZ-OE2 3.27Å; S283-E355 WeakPolarHBondContact CB-OE1 3.37Å; S283-E355 PolarHBondContact OG-OE1 3Å; N352-E355 HydrophobicContact CB-CB 4.09Å; N352-E355 HydrophobicContact CB-CG 4.22Å; N352-E355 WeakPolarHBondContact ND2-CG 3.43Å; N352-E355 PolarHBondContact O-N 3.19Å; I353-E355 VanDerWaalsContact C-N 3.31Å
356	D	92.9	Very high	85.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.			trans	-63.2	139.5	168.9	-78.4	-26.2	0	0	0	110.1	K281 W282 Y307 P309 Y310 N311 S312 W351 N352 I353	K281-D356 WeakPolarHBondContact CA-O 3.28Å; W282-D356 PolarHBondContact N-O 3.02Å; W282-D356 VanDerWaalsContact N-O 3.08Å; Y307-D356 HydrophobicContact CE2-CB 3.57Å; Y307-D356 PolarHBondContact OH-OD2 2.9Å; P309-D356 WeakPolarHBondContact CA-OD2 3.5Å; Y310-D356 PolarHBondContact N-OD2 2.86Å; N311-D356 PolarHBondContact N-OD1 2.83Å; N311-D356 WeakPolarHBondContact OD1-CA 3.14Å; S312-D356 VanDerWaalsContact CB-OD1 3.22Å; S312-D356 WeakPolarHBondContact CB-OD1 3.4Å; S312-D356 PolarHBondContact N-OD1 2.96Å; S312-D356 PolarHBondContact OG-OD1 3.35Å; W351-D356 PolarHBondContact NE1-OD1 3.34Å; W351-D356 PolarHBondContact NE1-OD2 3.4Å; N352-D356 PolarHBondContact O-N 2.8Å; I353-D356 PolarHBondContact O-N 3.04Å
357	E	93.2	Very high	85.1	Confident	48 Å²	48	45 Å²	45	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	149.7	168.2	-67.1	-179.1	153.4	0	0	111.6	Y280 K281 N311 H435 K439	Y280-E357 CarbonylContact O-C 3.53Å; Y280-E357 WeakPolarHBondContact O-CA 3.43Å; K281-E357 HydrophobicContact CG-CG 4.18Å; N311-E357 PolarHBondContact ND2-O 3.22Å; N311-E357 PolarHBondContact OD1-N 3.06Å; E357-H435 IonicContact OE2-CE1 3.27Å; E357-H435 PolarHBondContact OE2-CE1 3.3Å; E357-H435 IonicContact OE2-NE2 2.72Å; E357-K439 IonicContact OE1-NZ 2.97Å; E357-K439 PolarHBondContact OE1-NZ 3.34Å; E357-K439 IonicContact OE2-NZ 2.68Å; E357-K439 PolarHBondContact OE2-NZ 2.93Å
358	L	92.1	Very high	83.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.8	172.9	61.2	89.1	0	0	0	109.1	F279 Y280 W282 L285 I305 Y307 L360	F279-L358 VanDerWaalsContact CA-O 3.3Å; F279-L358 WeakPolarHBondContact CA-O 3.21Å; Y280-L358 PolarHBondContact N-O 3.43Å; Y280-L358 WeakPolarHBondContact O-CG 3.47Å; Y280-L358 PolarHBondContact O-N 2.99Å; W282-L358 HydrophobicContact CD2-CD2 3.29Å; W282-L358 VanDerWaalsContact CE2-CD2 3.49Å; W282-L358 HydrophobicContact CE3-CD2 3.42Å; W282-L358 VanDerWaalsContact CE3-CD2 3.42Å; W282-L358 HydrophobicContact CG-CD2 3.8Å; W282-L358 HydrophobicContact CH2-CD2 3.95Å; W282-L358 HydrophobicContact CZ2-CD2 3.83Å; W282-L358 HydrophobicContact CZ3-CD2 3.75Å; L285-L358 HydrophobicContact CB-CD2 4.43Å; L285-L358 HydrophobicContact CD2-CD1 3.78Å; L285-L358 HydrophobicContact CD2-CD2 3.74Å; L285-L358 HydrophobicContact CD2-CG 4.41Å; I305-L358 HydrophobicContact CG2-CB 4.32Å; I305-L358 HydrophobicContact CG2-CD1 3.86Å; I305-L358 HydrophobicContact CG2-CD2 4.31Å; I305-L358 HydrophobicContact CG2-CG 4.37Å; Y307-L358 HydrophobicContact CD2-CB 4.33Å; L358-L360 HydrophobicContact CD1-CB 4.45Å
359	L	88.3	Confident	81.7	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.9	173	167.7	63	0	0	0	109.8	Y277 F279 I305 I306 Y442	Y277-L359 HydrophobicContact CD1-CD1 3.96Å; Y277-L359 HydrophobicContact CD1-CD2 4.09Å; Y277-L359 HydrophobicContact CD1-CG 4.46Å; Y277-L359 HydrophobicContact CG-CD1 4.4Å; F279-L359 HydrophobicContact CD1-CB 4.22Å; F279-L359 HydrophobicContact CD2-CD1 4.34Å; F279-L359 HydrophobicContact CE1-CB 3.83Å; F279-L359 HydrophobicContact CE1-CD1 4.44Å; F279-L359 HydrophobicContact CE2-CD1 3.96Å; F279-L359 HydrophobicContact CZ-CB 4.14Å; F279-L359 HydrophobicContact CZ-CD1 4Å; F279-L359 HydrophobicContact CZ-CD2 4.47Å; F279-L359 HydrophobicContact CZ-CG 4.43Å; I305-L359 WeakPolarHBondContact CA-O 3.35Å; I306-L359 HydrophobicContact CB-CB 4.06Å; I306-L359 HydrophobicContact CB-CD2 4.41Å; I306-L359 HydrophobicContact CB-CG 4.39Å; I306-L359 HydrophobicContact CD1-CD2 3.97Å; I306-L359 HydrophobicContact CD1-CG 4.5Å; I306-L359 HydrophobicContact CG2-CB 4.48Å; I306-L359 PolarHBondContact N-O 3.47Å; I306-L359 PolarHBondContact O-N 3.39Å; L359-Y442 HydrophobicContact CD2-CD2 4.29Å
360	L	90.4	Very high	80	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110	167.3	-174.6	68.3	0	0	0	109.1	Q278 Y280 L285 I292 L293 A296 I303 I305 L358 T362	Q278-L360 PolarHBondContact N-O 3.24Å; Q278-L360 PolarHBondContact O-N 2.95Å; Y280-L360 HydrophobicContact CD2-CB 3.95Å; Y280-L360 HydrophobicContact CD2-CD2 4.08Å; Y280-L360 HydrophobicContact CE2-CB 4.23Å; Y280-L360 HydrophobicContact CE2-CD2 3.81Å; L285-L360 HydrophobicContact CD1-CD2 4.42Å; I292-L360 HydrophobicContact CG2-CD2 4.34Å; L293-L360 HydrophobicContact CD1-CD1 4.4Å; A296-L360 HydrophobicContact CB-CD2 4.18Å; I303-L360 HydrophobicContact CG2-CD1 3.83Å; I305-L360 HydrophobicContact CG1-CD1 3.82Å; L358-L360 HydrophobicContact CD1-CB 4.45Å; L360-T362 HydrophobicContact CD2-CG2 4.38Å; L360-T362 HydrophobicContact CG-CG2 4.13Å
361	R	85.7	Confident	78	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.9	172.7	-176.1	171.6	75.4	148	1.5	109.1	V275 N276 Y277 E304 L456	V275-R361 HydrophobicContact CG1-CG 3.83Å; N276-R361 CarbonylContact O-C 3.48Å; N276-R361 WeakPolarHBondContact O-CA 3.43Å; Y277-R361 HydrophobicContact CD1-CB 4.31Å; Y277-R361 HydrophobicContact CD1-CG 4.09Å; Y277-R361 HydrophobicContact CE1-CB 4.4Å; Y277-R361 VanDerWaalsContact CE1-CD 3.45Å; Y277-R361 HydrophobicContact CE1-CG 3.81Å; E304-R361 HydrophobicContact CB-CB 4.35Å; E304-R361 VanDerWaalsContact CD-NH2 3.33Å; E304-R361 PolarHBondContact N-O 2.92Å; E304-R361 PolarHBondContact O-N 3.15Å; E304-R361 IonicContact OE1-NH2 2.65Å; E304-R361 PolarHBondContact OE1-NH2 3.39Å; E304-R361 IonicContact OE2-CZ 3.37Å; E304-R361 IonicContact OE2-NE 3.85Å; E304-R361 PolarHBondContact OE2-NE 3.26Å; E304-R361 IonicContact OE2-NH2 3.77Å; E304-R361 PolarHBondContact OE2-NH2 2.86Å; R361-L456 PolarHBondContact NH1-O 3.1Å; R361-L456 PolarHBondContact NH2-O 2.96Å
362	T	86.6	Confident	75.7	Confident	7 Å²	7	51 Å²	51	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.3	176.5	57.9	0	0	0	0	111.1	V275 N276 A296 N300 S302 L360	V275-T362 CarbonylContact C-O 3.57Å; V275-T362 WeakPolarHBondContact CA-O 3.48Å; N276-T362 PolarHBondContact N-O 3.33Å; N276-T362 PolarHBondContact O-N 2.9Å; A296-T362 HydrophobicContact CB-CG2 4.15Å; N300-T362 HydrophobicContact CB-CG2 4.35Å; S302-T362 WeakPolarHBondContact O-CA 3.44Å; L360-T362 HydrophobicContact CD2-CG2 4.38Å; L360-T362 HydrophobicContact CG-CG2 4.13Å
363	T	81.7	Confident	73.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	176.7	68	0	0	0	0	112.1	T273 K274 V275 N300 Q301 S302 L456	T273-T363 HydrophobicContact CG2-CG2 4.09Å; K274-T363 CarbonylContact O-C 3.6Å; K274-T363 VanDerWaalsContact O-CA 3.29Å; K274-T363 WeakPolarHBondContact O-CA 3.48Å; V275-T363 HydrophobicContact CG1-CG2 4.28Å; N300-T363 CarbonylContact C-O 3.43Å; N300-T363 WeakPolarHBondContact CA-O 3.46Å; N300-T363 VanDerWaalsContact CB-O 3.25Å; N300-T363 WeakPolarHBondContact CB-O 3.3Å; Q301-T363 PolarHBondContact N-O 3.41Å; S302-T363 WeakPolarHBondContact CB-OG1 3.44Å; S302-T363 PolarHBondContact N-OG1 3.4Å; S302-T363 PolarHBondContact O-N 3.38Å; S302-T363 WeakPolarHBondContact OG-CB 3.15Å; S302-T363 WeakPolarHBondContact OG-CG2 3.5Å; S302-T363 PolarHBondContact OG-OG1 3.08Å; T363-L456 HydrophobicContact CG2-CD1 3.61Å; T363-L456 HydrophobicContact CG2-CD2 3.94Å; T363-L456 HydrophobicContact CG2-CG 4.45Å
364	K	81.4	Confident	71.3	Confident	119 Å²	119	58 Å²	58	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.7	179.4	-169.6	172	-176.6	172	0	110.3	K274 L366	K274-K364 PolarHBondContact N-O 3.42Å; K274-K364 PolarHBondContact O-N 3.5Å; K364-L366 PolarHBondContact O-N 3.1Å
365	R	77.1	Confident	69.2	Low	71 Å²	71	56.9 Å²	56.9	27%	0.268	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	132.8	170.7	-73.1	-169.5	167.1	158.7	0.9	110.5	E185 N187 S216 T271 L272	E185-R365 IonicContact OE1-CZ 2.76Å; E185-R365 IonicContact OE1-NE 3.25Å; E185-R365 IonicContact OE1-NH2 3.86Å; E185-R365 PolarHBondContact OE1-NH2 2.99Å; N187-R365 PolarHBondContact OD1-NH2 3.38Å; S216-R365 VanDerWaalsContact OG-CZ 3.28Å; S216-R365 PolarHBondContact OG-NH1 3.37Å; S216-R365 PolarHBondContact OG-NH2 3.19Å; S216-R365 VanDerWaalsContact OG-NH2 3.11Å; T271-R365 PolarHBondContact OG1-NE 3.28Å; L272-R365 WeakPolarHBondContact O-CA 3.23Å
366	L	70.7	Confident	66.7	Low	34 Å²	34	57.3 Å²	57.3	18%	0.178	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-79.2	131.4	169	-68.4	169	0	0	0	108.7	L272 K274 K364 I370 I449	L272-L366 HydrophobicContact CB-CB 4.19Å; L272-L366 HydrophobicContact CB-CD1 3.87Å; L272-L366 HydrophobicContact CB-CG 4.47Å; L272-L366 HydrophobicContact CD1-CD1 4.29Å; L272-L366 PolarHBondContact O-N 3.05Å; K274-L366 HydrophobicContact CB-CD2 4.26Å; K274-L366 HydrophobicContact CB-CG 4.32Å; K364-L366 PolarHBondContact O-N 3.1Å; L366-I370 HydrophobicContact CD2-CG2 4.33Å; L366-I449 HydrophobicContact CD1-CG2 4.05Å
367	S	62.3	Low	64.3	Low	64 Å²	64	61 Å²	61	45%	0.448	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.6	148.2	173.4	54.4	0	0	0	0	110.5	D369 I370	S367-D369 PolarHBondContact O-N 3.35Å; S367-I370 PolarHBondContact O-N 2.85Å
368	Q	50.2	Low	61.8	Low	133 Å²	133	62.5 Å²	62.5	62%	0.621	32%	0.316	S	S	*	.	H	α-helix	trans	-50.7	-34.8	-178.1	-141.8	77	16.4	0	0	113	I370 Y371	Q368-I370 VanDerWaalsContact C-N 3.27Å; Q368-I370 PolarHBondContact O-N 2.83Å; Q368-Y371 WeakPolarHBondContact O-CB 3.33Å; Q368-Y371 PolarHBondContact O-N 2.76Å; Q368-Y371 VanDerWaalsContact O-N 3.14Å
369	D	42.9	Very low	59.4	Low	132 Å²	132	66.5 Å²	66.5	71%	0.706	34%	0.337	S	S	*	.	H	α-helix	trans	-68.7	-21.3	-178.7	-57.4	-31.5	0	0	0	114.3	S367	S367-D369 PolarHBondContact O-N 3.35Å
370	I	47.3	Very low	56.9	Low	73 Å²	73	76 Å²	76	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-86.4	-26.9	175.8	-60.3	174.1	0	0	0	110.3	L366 S367 Q368 D372 N373 Y374	L366-I370 HydrophobicContact CD2-CG2 4.33Å; S367-I370 PolarHBondContact O-N 2.85Å; Q368-I370 VanDerWaalsContact C-N 3.27Å; Q368-I370 PolarHBondContact O-N 2.83Å; I370-D372 PolarHBondContact O-N 2.97Å; I370-N373 PolarHBondContact O-N 2.81Å; I370-Y374 HydrophobicContact CG2-CD2 4.04Å; I370-Y374 HydrophobicContact CG2-CE2 4.41Å; I370-Y374 PolarHBondContact O-N 3.16Å
371	Y	44.2	Very low	54.3	Low	45 Å²	45	81.6 Å²	81.6	18%	0.176	40%	0.403	C	S	.	.	H	α-helix	trans	-56.9	-47.3	178.5	-169.9	-95.1	0	0	0	111.6	L272 Q368 N373 Y374 I375	L272-Y371 HydrophobicContact CD1-CD2 3.2Å; L272-Y371 HydrophobicContact CD1-CE2 3.38Å; L272-Y371 HydrophobicContact CD1-CG 4.35Å; L272-Y371 HydrophobicContact CD2-CE2 4.03Å; L272-Y371 HydrophobicContact CG-CD2 3.54Å; L272-Y371 HydrophobicContact CG-CE2 3.45Å; L272-Y371 VanDerWaalsContact CG-CE2 3.45Å; Q368-Y371 WeakPolarHBondContact O-CB 3.33Å; Q368-Y371 PolarHBondContact O-N 2.76Å; Q368-Y371 VanDerWaalsContact O-N 3.14Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 2.86Å; Y371-Y374 PolarHBondContact O-N 3.05Å; Y371-I375 HydrophobicContact CD1-CD1 3.65Å; Y371-I375 HydrophobicContact CE1-CD1 3.24Å; Y371-I375 HydrophobicContact CG-CD1 4.44Å; Y371-I375 PolarHBondContact O-N 3.47Å
372	D	39.8	Very low	52	Low	103 Å²	103	88 Å²	88	55%	0.551	44%	0.437	S	S	*	.	H	α-helix	trans	-67.2	-31.4	-178.2	-70.1	-13.7	0	0	0	113	I370 T376	I370-D372 PolarHBondContact O-N 2.97Å; D372-T376 PolarHBondContact O-N 2.87Å; D372-T376 PolarHBondContact O-OG1 3.15Å
373	N	42.5	Very low	49.4	Very low	111 Å²	111	91.3 Å²	91.3	59%	0.594	46%	0.461	S	S	*	.	H	α-helix	trans	-76.8	-30.9	178.6	-84.1	-30.9	0	0	0	113.3	I370 Y371 T376 V377	I370-N373 PolarHBondContact O-N 2.81Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 2.86Å; N373-T376 WeakPolarHBondContact CA-OG1 3.27Å; N373-T376 PolarHBondContact O-OG1 2.97Å; N373-V377 VanDerWaalsContact O-CG2 3.29Å; N373-V377 WeakPolarHBondContact O-CG2 3.22Å; N373-V377 PolarHBondContact O-N 3.19Å
374	Y	44.5	Very low	47	Very low	124 Å²	124	100.5 Å²	100.5	49%	0.486	50%	0.503	S	S	.	.	H	α-helix	trans	-75.6	-42.1	177.6	-105.1	-87.7	0	0	0	112	I370 Y371 T376 V377 D378 I449	I370-Y374 HydrophobicContact CG2-CD2 4.04Å; I370-Y374 HydrophobicContact CG2-CE2 4.41Å; I370-Y374 PolarHBondContact O-N 3.16Å; Y371-Y374 PolarHBondContact O-N 3.05Å; Y374-T376 VanDerWaalsContact C-N 3.26Å; Y374-T376 PolarHBondContact O-N 3.04Å; Y374-V377 PolarHBondContact O-N 2.79Å; Y374-V377 VanDerWaalsContact O-N 3.09Å; Y374-D378 PolarHBondContact O-N 2.81Å; Y374-D378 VanDerWaalsContact O-N 3.14Å; Y374-I449 HydrophobicContact CD1-CD1 4.15Å; Y374-I449 HydrophobicContact CE1-CD1 3.59Å; Y374-I449 HydrophobicContact CE2-CD1 4.07Å
375	I	46.1	Very low	44.7	Very low	51 Å²	51	99.8 Å²	99.8	26%	0.262	51%	0.513	S	S	.	.	H	α-helix	trans	-58.7	-40.6	175.9	-69.1	174.9	0	0	0	110.9	Y371 V377 I379 I396	Y371-I375 HydrophobicContact CD1-CD1 3.65Å; Y371-I375 HydrophobicContact CE1-CD1 3.24Å; Y371-I375 HydrophobicContact CG-CD1 4.44Å; Y371-I375 PolarHBondContact O-N 3.47Å; I375-V377 VanDerWaalsContact C-N 3.3Å; I375-V377 PolarHBondContact O-N 3Å; I375-I379 HydrophobicContact CG2-CD1 3.49Å; I375-I379 VanDerWaalsContact CG2-CD1 3.49Å; I375-I379 HydrophobicContact CG2-CG1 4.34Å; I375-I379 WeakPolarHBondContact O-CB 3.39Å; I375-I379 WeakPolarHBondContact O-CD1 3.25Å; I375-I379 WeakPolarHBondContact O-CG1 3.4Å; I375-I379 PolarHBondContact O-N 3.47Å; I375-I379 VanDerWaalsContact O-N 3.14Å; I375-I396 HydrophobicContact CD1-CD1 3.87Å
376	T	41.7	Very low	42.4	Very low	76 Å²	76	103.8 Å²	103.8	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-69.5	-22.6	178.5	39.9	0	0	0	0	114.3	D372 N373 Y374	D372-T376 PolarHBondContact O-N 2.87Å; D372-T376 PolarHBondContact O-OG1 3.15Å; N373-T376 WeakPolarHBondContact CA-OG1 3.27Å; N373-T376 PolarHBondContact O-OG1 2.97Å; Y374-T376 VanDerWaalsContact C-N 3.26Å; Y374-T376 PolarHBondContact O-N 3.04Å
377	V	41.9	Very low	40.5	Very low	79 Å²	79	108.9 Å²	108.9	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-84.8	-42.9	178.4	173.6	0	0	0	0	111.7	N373 Y374 I375 R380 N381	N373-V377 VanDerWaalsContact O-CG2 3.29Å; N373-V377 WeakPolarHBondContact O-CG2 3.22Å; N373-V377 PolarHBondContact O-N 3.19Å; Y374-V377 PolarHBondContact O-N 2.79Å; Y374-V377 VanDerWaalsContact O-N 3.09Å; I375-V377 VanDerWaalsContact C-N 3.3Å; I375-V377 PolarHBondContact O-N 3Å; V377-R380 PolarHBondContact O-N 3.4Å; V377-N381 PolarHBondContact O-N 3.22Å; V377-N381 VanDerWaalsContact O-N 3.14Å
378	D	40.9	Very low	38.9	Very low	78 Å²	78	112.4 Å²	112.4	42%	0.417	58%	0.581	S	S	.	*	H	α-helix	trans	-73.1	-33.7	179	-77.3	-29	0	0	0	112.7	Y374 R380 N381 N382	Y374-D378 PolarHBondContact O-N 2.81Å; Y374-D378 VanDerWaalsContact O-N 3.14Å; D378-R380 VanDerWaalsContact C-N 3.29Å; D378-R380 PolarHBondContact O-N 3.33Å; D378-N381 PolarHBondContact O-N 2.88Å; D378-N382 PolarHBondContact O-N 3.2Å; D378-N382 VanDerWaalsContact O-N 3.14Å
379	I	41.1	Very low	37.9	Very low	84 Å²	84	112.6 Å²	112.6	43%	0.431	59%	0.585	S	S	.	*	H	α-helix	trans	-64.5	-35.1	171.5	-66.6	172.9	0	0	0	111	I375 S383	I375-I379 HydrophobicContact CG2-CD1 3.49Å; I375-I379 VanDerWaalsContact CG2-CD1 3.49Å; I375-I379 HydrophobicContact CG2-CG1 4.34Å; I375-I379 WeakPolarHBondContact O-CB 3.39Å; I375-I379 WeakPolarHBondContact O-CD1 3.25Å; I375-I379 WeakPolarHBondContact O-CG1 3.4Å; I375-I379 PolarHBondContact O-N 3.47Å; I375-I379 VanDerWaalsContact O-N 3.14Å; I379-S383 WeakPolarHBondContact O-CB 3.15Å; I379-S383 PolarHBondContact O-N 2.99Å; I379-S383 PolarHBondContact O-OG 2.72Å
380	R	35	Very low	37.1	Very low	201 Å²	201	112.9 Å²	112.9	76%	0.758	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-38.9	175.4	-93.7	-178.5	-179.6	167.3	3.7	112.5	V377 D378 S383	V377-R380 PolarHBondContact O-N 3.4Å; D378-R380 VanDerWaalsContact C-N 3.29Å; D378-R380 PolarHBondContact O-N 3.33Å; R380-S383 PolarHBondContact O-OG 2.82Å
381	N	36.9	Very low	36.3	Very low	122 Å²	122	116.5 Å²	116.5	65%	0.652	61%	0.607	S	S	*	*	H	α-helix	trans	-77.6	-21.9	-177.3	-70.4	-21.7	0	0	0	114	V377 D378	V377-N381 PolarHBondContact O-N 3.22Å; V377-N381 VanDerWaalsContact O-N 3.14Å; D378-N381 PolarHBondContact O-N 2.88Å
382	N	36.7	Very low	35.5	Very low	140 Å²	140	121.1 Å²	121.1	75%	0.749	64%	0.635	S	S	*	*	H	α-helix	trans	-97.7	2.1	176	-82.7	-19.3	0	0	0	114.8	D378 H384	D378-N382 PolarHBondContact O-N 3.2Å; D378-N382 VanDerWaalsContact O-N 3.14Å; N382-H384 PolarHBondContact O-N 2.8Å
383	S	32.6	Very low	35.1	Very low	77 Å²	77	122.8 Å²	122.8	54%	0.538	64%	0.644	S	S	.	*			trans	-83.5	50.4	-179.4	59.4	0	0	0	0	114.1	I379 R380	I379-S383 WeakPolarHBondContact O-CB 3.15Å; I379-S383 PolarHBondContact O-N 2.99Å; I379-S383 PolarHBondContact O-OG 2.72Å; R380-S383 PolarHBondContact O-OG 2.82Å
384	H	32.1	Very low	34.6	Very low	193 Å²	193	123 Å²	123	89%	0.894	65%	0.651	S	S	*	*			trans	-123.9	49.4	164.4	-89.5	4	0	0	0	111.8	N382	N382-H384 PolarHBondContact O-N 2.8Å
385	S	31.7	Very low	34	Very low	104 Å²	104	120.3 Å²	120.3	73%	0.727	65%	0.65	S	S	*	*	S	Bend	trans	-159.4	104	155.5	60	0	0	0	0	113
386	N	29.5	Very low	33.6	Very low	155 Å²	155	120.7 Å²	120.7	83%	0.829	65%	0.652	S	S	*	*			trans	34.1	112.3	149.2	-69.9	-16.8	0	0	0	122.7
387	N	29.7	Very low	33.2	Very low	141 Å²	141	122.1 Å²	122.1	75%	0.754	66%	0.664	S	S	*	*				25	111.7	128.5	-63.9	-11.4	0	0	0	120.8
388	N	29	Very low	33.2	Very low	138 Å²	138	121 Å²	121	74%	0.738	65%	0.652	S	S	*	*				157	121.4	107.6	-89.9	-22.4	0	0	0	112.8
389	I	29.3	Very low	33.1	Very low	138 Å²	138	120.2 Å²	120.2	71%	0.708	65%	0.647	S	S	*	*			trans	55	101.9	135	-52.5	167.4	0	0	0	118.4
390	N	25.8	Very low	33.1	Very low	138 Å²	138	118.5 Å²	118.5	74%	0.738	64%	0.643	S	S	*	*				164.2	153.4	114.6	-96.3	-20.5	0	0	0	112.7
391	D	30.4	Very low	33.3	Very low	148 Å²	148	114.1 Å²	114.1	79%	0.791	63%	0.634	S	S	*	*	S	Bend	trans	-34.6	147.3	178.1	-63	-53.5	0	0	0	117.8
392	N	28.7	Very low	33.4	Very low	143 Å²	143	109.3 Å²	109.3	77%	0.765	61%	0.61	S	S	*	*	S	Bend	trans	81.5	98.9	-166.9	-57	-29.8	0	0	0	112.2	P394	N392-P394 WeakPolarHBondContact O-CD 3.42Å; N392-P394 VanDerWaalsContact O-CG 3.22Å; N392-P394 WeakPolarHBondContact O-CG 3.25Å
393	D	31	Very low	33.6	Very low	138 Å²	138	107.2 Å²	107.2	74%	0.738	60%	0.596	S	S	*	*			trans	-60.9	102.9	171.9	-164.6	-10.5	0	0	0	109.3	S395	D393-S395 VanDerWaalsContact C-N 3.32Å; D393-S395 WeakPolarHBondContact OD1-CB 3.44Å; D393-S395 PolarHBondContact OD1-N 3.33Å; D393-S395 PolarHBondContact OD1-OG 3.05Å
394	P	32.3	Very low	34	Very low	115 Å²	115	105.9 Å²	105.9	75%	0.747	58%	0.581	S	S	*	*			trans	-100	20.9	-174.7	28.1	-7.3	0	0	0	110.2	N392	N392-P394 WeakPolarHBondContact O-CD 3.42Å; N392-P394 VanDerWaalsContact O-CG 3.22Å; N392-P394 WeakPolarHBondContact O-CG 3.25Å
395	S	31.3	Very low	34.3	Very low	68 Å²	68	99.5 Å²	99.5	48%	0.476	55%	0.55	S	S	.	*			trans	-90.3	0.3	-169.8	67.7	0	0	0	0	114.9	D393 C397	D393-S395 VanDerWaalsContact C-N 3.32Å; D393-S395 WeakPolarHBondContact OD1-CB 3.44Å; D393-S395 PolarHBondContact OD1-N 3.33Å; D393-S395 PolarHBondContact OD1-OG 3.05Å; S395-C397 PolarHBondContact O-N 3.24Å
396	I	37.2	Very low	34.5	Very low	59 Å²	59	95.1 Å²	95.1	30%	0.303	52%	0.519	S	S	.	.			trans	-98.5	84.8	165.8	-52	175.7	0	0	0	107.6	I375 Y398	I375-I396 HydrophobicContact CD1-CD1 3.87Å; I396-Y398 VanDerWaalsContact C-N 3.26Å; I396-Y398 HydrophobicContact CB-CE2 4.37Å; I396-Y398 HydrophobicContact CG2-CD1 3.96Å; I396-Y398 HydrophobicContact CG2-CD2 4.12Å; I396-Y398 HydrophobicContact CG2-CE1 3.69Å; I396-Y398 HydrophobicContact CG2-CE2 3.89Å; I396-Y398 HydrophobicContact CG2-CG 4.17Å; I396-Y398 PolarHBondContact O-N 2.77Å
397	C	33.3	Very low	34.9	Very low	105 Å²	105	89.4 Å²	89.4	71%	0.709	49%	0.486	S	S	*	.			trans	-69	93.5	164.1	-158	0	0	0	0	106.4	S395 D399	S395-C397 PolarHBondContact O-N 3.24Å; C397-D399 PolarHBondContact O-N 2.97Å
398	Y	42.7	Very low	35.2	Very low	57 Å²	57	84 Å²	84	22%	0.224	46%	0.457	C	S	.	.			trans	-63.4	97.4	165.8	-65.1	-76.1	0	0	0	106.2	I180 N183 I396 S400	I180-Y398 HydrophobicContact CG2-CD2 4.43Å; I180-Y398 HydrophobicContact CG2-CG 4.16Å; N183-Y398 VanDerWaalsContact OD1-CE2 3.31Å; N183-Y398 WeakPolarHBondContact OD1-CE2 3.02Å; N183-Y398 VanDerWaalsContact OD1-CZ 3.29Å; N183-Y398 PolarHBondContact OD1-OH 2.87Å; I396-Y398 VanDerWaalsContact C-N 3.26Å; I396-Y398 HydrophobicContact CB-CE2 4.37Å; I396-Y398 HydrophobicContact CG2-CD1 3.96Å; I396-Y398 HydrophobicContact CG2-CD2 4.12Å; I396-Y398 HydrophobicContact CG2-CE1 3.69Å; I396-Y398 HydrophobicContact CG2-CE2 3.89Å; I396-Y398 HydrophobicContact CG2-CG 4.17Å; I396-Y398 PolarHBondContact O-N 2.77Å; Y398-S400 VanDerWaalsContact C-N 3.29Å; Y398-S400 PolarHBondContact O-N 3.28Å
399	D	39.5	Very low	35.6	Very low	61 Å²	61	78.8 Å²	78.8	33%	0.326	43%	0.429	S	S	.	.			trans	-64.2	99.6	175.6	-147.8	-3.7	0	0	0	106.4	C397 D401 Q403	C397-D399 PolarHBondContact O-N 2.97Å; D399-D401 PolarHBondContact O-N 3.34Å; D399-Q403 HydrophobicContact CB-CG 4.37Å; D399-Q403 PolarHBondContact OD2-NE2 2.93Å
400	S	39.4	Very low	35.9	Very low	48 Å²	48	73 Å²	73	34%	0.336	40%	0.4	S	S	.	.			trans	-68.4	-16	175.5	55.4	0	0	0	0	111	Y398 P402	Y398-S400 VanDerWaalsContact C-N 3.29Å; Y398-S400 PolarHBondContact O-N 3.28Å; S400-P402 WeakPolarHBondContact O-CD 3.3Å
401	D	39.4	Very low	36.3	Very low	108 Å²	108	70 Å²	70	58%	0.578	38%	0.381	S	S	*	.	S	Bend	trans	-72.3	125.2	175.2	-71.8	-16.3	0	0	0	108.5	D399 Q403	D399-D401 PolarHBondContact O-N 3.34Å; D401-Q403 VanDerWaalsContact C-N 3.35Å; D401-Q403 PolarHBondContact O-N 3.35Å
402	P	40	Very low	36.4	Very low	21 Å²	21	67.6 Å²	67.6	14%	0.136	37%	0.372	C	S	.	.			trans	-50.7	101.3	163.3	23	-38.6	0	0	0	110.9	S400 Q404 F405 A455 S458	S400-P402 WeakPolarHBondContact O-CD 3.3Å; P402-Q404 PolarHBondContact O-N 3.32Å; P402-Q404 VanDerWaalsContact O-N 3.17Å; P402-F405 HydrophobicContact CB-CD1 4.24Å; P402-F405 HydrophobicContact CB-CD2 4.31Å; P402-F405 HydrophobicContact CB-CE1 3.94Å; P402-F405 HydrophobicContact CB-CE2 4.07Å; P402-F405 HydrophobicContact CB-CG 4.4Å; P402-F405 HydrophobicContact CB-CZ 3.9Å; P402-F405 HydrophobicContact CG-CD1 4.16Å; P402-F405 HydrophobicContact CG-CD2 4.25Å; P402-F405 HydrophobicContact CG-CE1 3.38Å; P402-F405 HydrophobicContact CG-CE2 3.52Å; P402-F405 HydrophobicContact CG-CZ 3.04Å; P402-A455 HydrophobicContact CB-CB 4.48Å; P402-S458 WeakPolarHBondContact CB-OG 3.45Å; P402-S458 VanDerWaalsContact CG-OG 3.3Å; P402-S458 WeakPolarHBondContact CG-OG 3.16Å
403	Q	39.9	Very low	36.8	Very low	97 Å²	97	63.5 Å²	63.5	45%	0.453	35%	0.347	S	S	.	.	S	Bend	trans	-64.9	-22.6	178.7	-69.7	-171.4	-11.2	0	0	111.4	D399 D401	D399-Q403 HydrophobicContact CB-CG 4.37Å; D399-Q403 PolarHBondContact OD2-NE2 2.93Å; D401-Q403 VanDerWaalsContact C-N 3.35Å; D401-Q403 PolarHBondContact O-N 3.35Å
404	Q	42.4	Very low	37.5	Very low	48 Å²	48	57.8 Å²	57.8	22%	0.224	32%	0.321	C	S	.	.			trans	-146.5	97.8	177.8	-60.1	-178.5	-17.9	0	0	112	Y277 P402 V406 I448	Y277-Q404 PolarHBondContact OH-OE1 3.28Å; P402-Q404 PolarHBondContact O-N 3.32Å; P402-Q404 VanDerWaalsContact O-N 3.17Å; Q404-V406 PolarHBondContact O-N 3.31Å; Q404-I448 VanDerWaalsContact NE2-CD1 3.29Å
405	F	38.6	Very low	38.3	Very low	59 Å²	59	53 Å²	53	26%	0.259	29%	0.29	S	S	.	.			trans	-68.6	111.9	159	-57.7	-90.5	0	0	0	109.6	P402 Y407 S458 F459 G460	P402-F405 HydrophobicContact CB-CD1 4.24Å; P402-F405 HydrophobicContact CB-CD2 4.31Å; P402-F405 HydrophobicContact CB-CE1 3.94Å; P402-F405 HydrophobicContact CB-CE2 4.07Å; P402-F405 HydrophobicContact CB-CG 4.4Å; P402-F405 HydrophobicContact CB-CZ 3.9Å; P402-F405 HydrophobicContact CG-CD1 4.16Å; P402-F405 HydrophobicContact CG-CD2 4.25Å; P402-F405 HydrophobicContact CG-CE1 3.38Å; P402-F405 HydrophobicContact CG-CE2 3.52Å; P402-F405 HydrophobicContact CG-CZ 3.04Å; F405-Y407 HydrophobicContact CB-CD2 3.44Å; F405-Y407 VanDerWaalsContact CB-CD2 3.44Å; F405-Y407 HydrophobicContact CB-CE1 4.11Å; F405-Y407 HydrophobicContact CB-CE2 2.86Å; F405-Y407 HydrophobicContact CB-CG 4.25Å; F405-Y407 WeakPolarHBondContact CB-OH 3.38Å; F405-Y407 HydrophobicContact CD1-CE1 4.23Å; F405-Y407 HydrophobicContact CD1-CE2 4.29Å; F405-Y407 AromaticContact CD1-CZ 3.76Å; F405-Y407 HydrophobicContact CD2-CE2 4.29Å; F405-Y407 WeakPolarHBondContact CD2-OH 3.46Å; F405-Y407 HydrophobicContact CG-CE1 4.37Å; F405-Y407 AromaticContact CG-CE2 3.65Å; F405-Y407 HydrophobicContact CG-CE2 3.65Å; F405-Y407 AromaticContact CG-CZ 3.5Å; F405-Y407 VanDerWaalsContact CG-OH 3.22Å; F405-Y407 WeakPolarHBondContact CG-OH 3.49Å; F405-Y407 WeakPolarHBondContact O-CD2 3.31Å; F405-Y407 PolarHBondContact O-N 3.37Å; F405-S458 WeakPolarHBondContact CD1-O 3.3Å; F405-S458 VanDerWaalsContact CE1-CB 3.46Å; F405-F459 WeakPolarHBondContact CE1-O 3.03Å; F405-G460 VanDerWaalsContact CD1-CA 3.47Å
406	V	34.2	Very low	39.5	Very low	12 Å²	12	51.2 Å²	51.2	7%	0.073	28%	0.277	C	S	.	.			trans	-93.9	87.4	166.4	-173.4	0	0	0	0	106.2	Y277 I306 Q404	Y277-V406 HydrophobicContact CE1-CG2 4.03Å; Y277-V406 WeakPolarHBondContact OH-CG2 3.49Å; I306-V406 HydrophobicContact CD1-CG1 3.57Å; Q404-V406 PolarHBondContact O-N 3.31Å
407	Y	38.7	Very low	40.5	Very low	35 Å²	35	49.3 Å²	49.3	14%	0.137	27%	0.269	C	S	.	.			trans	-84.1	124.2	177.2	-42.8	-116.9	0	0	0	108.7	F405 L409 D410 F413 G460	F405-Y407 HydrophobicContact CB-CD2 3.44Å; F405-Y407 VanDerWaalsContact CB-CD2 3.44Å; F405-Y407 HydrophobicContact CB-CE1 4.11Å; F405-Y407 HydrophobicContact CB-CE2 2.86Å; F405-Y407 HydrophobicContact CB-CG 4.25Å; F405-Y407 WeakPolarHBondContact CB-OH 3.38Å; F405-Y407 HydrophobicContact CD1-CE1 4.23Å; F405-Y407 HydrophobicContact CD1-CE2 4.29Å; F405-Y407 AromaticContact CD1-CZ 3.76Å; F405-Y407 HydrophobicContact CD2-CE2 4.29Å; F405-Y407 WeakPolarHBondContact CD2-OH 3.46Å; F405-Y407 HydrophobicContact CG-CE1 4.37Å; F405-Y407 AromaticContact CG-CE2 3.65Å; F405-Y407 HydrophobicContact CG-CE2 3.65Å; F405-Y407 AromaticContact CG-CZ 3.5Å; F405-Y407 VanDerWaalsContact CG-OH 3.22Å; F405-Y407 WeakPolarHBondContact CG-OH 3.49Å; F405-Y407 WeakPolarHBondContact O-CD2 3.31Å; F405-Y407 PolarHBondContact O-N 3.37Å; Y407-L409 PolarHBondContact O-N 3.33Å; Y407-D410 VanDerWaalsContact CB-CB 3.4Å; Y407-D410 VanDerWaalsContact CB-N 3.26Å; Y407-D410 HydrophobicContact CD1-CB 4.08Å; Y407-D410 HydrophobicContact CD2-CB 3.5Å; Y407-D410 VanDerWaalsContact CD2-CB 3.5Å; Y407-D410 WeakPolarHBondContact CD2-OD2 3.19Å; Y407-D410 WeakPolarHBondContact CE1-OD1 3.45Å; Y407-D410 HydrophobicContact CE2-CB 4.15Å; Y407-D410 WeakPolarHBondContact CE2-OD2 3.39Å; Y407-D410 HydrophobicContact CG-CB 3.45Å; Y407-D410 VanDerWaalsContact CG-CB 3.45Å; Y407-D410 VanDerWaalsContact CZ-OD2 3.25Å; Y407-F413 HydrophobicContact CD2-CD2 4.36Å; Y407-F413 HydrophobicContact CD2-CE2 4.38Å; Y407-F413 HydrophobicContact CE2-CE2 4.39Å; Y407-G460 WeakPolarHBondContact OH-CA 3.24Å; Y407-G460 PolarHBondContact OH-N 3.01Å
408	L	35.7	Very low	41.8	Very low	28 Å²	28	48.9 Å²	48.9	15%	0.147	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	107.7	155.7	-80.8	114.9	0	0	0	107.2	I306 R511	I306-L408 HydrophobicContact CB-CD1 4.21Å; I306-L408 HydrophobicContact CB-CD2 4.06Å; I306-L408 HydrophobicContact CB-CG 4.37Å; I306-L408 HydrophobicContact CD1-CD1 3.72Å; I306-L408 HydrophobicContact CD1-CG 4.35Å; I306-L408 HydrophobicContact CG1-CD1 3.55Å; I306-L408 HydrophobicContact CG1-CD2 4.34Å; I306-L408 HydrophobicContact CG1-CG 4.21Å; I306-L408 HydrophobicContact CG2-CD1 4.05Å; I306-L408 HydrophobicContact CG2-CD2 3.4Å; I306-L408 HydrophobicContact CG2-CG 3.69Å; L408-R511 HydrophobicContact CD1-CB 3.86Å; L408-R511 HydrophobicContact CD1-CG 3.74Å; L408-R511 HydrophobicContact CD2-CB 4.18Å
409	L	37.8	Very low	42.8	Very low	28 Å²	28	49.7 Å²	49.7	15%	0.147	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	58.4	-165.1	-61.3	165.1	0	0	0	113.8	Y407 N507 M548 L550	Y407-L409 PolarHBondContact O-N 3.33Å; L409-N507 HydrophobicContact CD1-CB 3.98Å; L409-N507 WeakPolarHBondContact CD1-ND2 3.38Å; L409-N507 WeakPolarHBondContact CD2-ND2 3.29Å; L409-N507 WeakPolarHBondContact CG-ND2 3.26Å; L409-M548 HydrophobicContact CD1-CB 3.49Å; L409-M548 VanDerWaalsContact CD1-CB 3.49Å; L409-M548 HydrophobicContact CD1-CG 3.99Å; L409-L550 HydrophobicContact CD1-CD2 3.87Å; L409-L550 HydrophobicContact CD2-CD2 4.21Å
410	D	35.7	Very low	44	Very low	16 Å²	16	47 Å²	47	9%	0.086	25%	0.249	C	C	.	.			trans	-67.2	136.3	154.1	-147.7	-13.2	0	0	0	108	Y407 V412 F413 G414	Y407-D410 VanDerWaalsContact CB-CB 3.4Å; Y407-D410 VanDerWaalsContact CB-N 3.26Å; Y407-D410 HydrophobicContact CD1-CB 4.08Å; Y407-D410 HydrophobicContact CD2-CB 3.5Å; Y407-D410 VanDerWaalsContact CD2-CB 3.5Å; Y407-D410 WeakPolarHBondContact CD2-OD2 3.19Å; Y407-D410 WeakPolarHBondContact CE1-OD1 3.45Å; Y407-D410 HydrophobicContact CE2-CB 4.15Å; Y407-D410 WeakPolarHBondContact CE2-OD2 3.39Å; Y407-D410 HydrophobicContact CG-CB 3.45Å; Y407-D410 VanDerWaalsContact CG-CB 3.45Å; Y407-D410 VanDerWaalsContact CZ-OD2 3.25Å; D410-V412 HydrophobicContact CB-CB 4.12Å; D410-V412 PolarHBondContact O-N 3.26Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.31Å; D410-V412 PolarHBondContact OD1-N 3.46Å; D410-V412 WeakPolarHBondContact OD2-CB 3.34Å; D410-V412 VanDerWaalsContact OD2-CG2 3.23Å; D410-V412 WeakPolarHBondContact OD2-CG2 3.42Å; D410-F413 HydrophobicContact CB-CB 4.27Å; D410-F413 HydrophobicContact CB-CD2 3.81Å; D410-F413 HydrophobicContact CB-CG 4.39Å; D410-F413 PolarHBondContact O-N 3.08Å; D410-F413 VanDerWaalsContact O-N 3.17Å; D410-F413 WeakPolarHBondContact OD2-CD2 3.38Å; D410-F413 WeakPolarHBondContact OD2-CE2 3.46Å; D410-G414 PolarHBondContact O-N 3.21Å
411	Q	33.5	Very low	45	Very low	75 Å²	75	48.7 Å²	48.7	35%	0.35	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-7.4	160.2	-77.6	-177.2	-17.9	0	0	112.2
412	V	33.3	Very low	46.3	Very low	99 Å²	99	50.7 Å²	50.7	60%	0.6	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-21.4	176.5	-166.4	0	0	0	0	113.3	D410	D410-V412 HydrophobicContact CB-CB 4.12Å; D410-V412 PolarHBondContact O-N 3.26Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.31Å; D410-V412 PolarHBondContact OD1-N 3.46Å; D410-V412 WeakPolarHBondContact OD2-CB 3.34Å; D410-V412 VanDerWaalsContact OD2-CG2 3.23Å; D410-V412 WeakPolarHBondContact OD2-CG2 3.42Å
413	F	37	Very low	47.8	Very low	56 Å²	56	54.1 Å²	54.1	25%	0.246	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-20.5	-171.8	-53.9	-55.3	0	0	0	115.2	Y407 D410 Y437 K441	Y407-F413 HydrophobicContact CD2-CD2 4.36Å; Y407-F413 HydrophobicContact CD2-CE2 4.38Å; Y407-F413 HydrophobicContact CE2-CE2 4.39Å; D410-F413 HydrophobicContact CB-CB 4.27Å; D410-F413 HydrophobicContact CB-CD2 3.81Å; D410-F413 HydrophobicContact CB-CG 4.39Å; D410-F413 PolarHBondContact O-N 3.08Å; D410-F413 VanDerWaalsContact O-N 3.17Å; D410-F413 WeakPolarHBondContact OD2-CD2 3.38Å; D410-F413 WeakPolarHBondContact OD2-CE2 3.46Å; F413-Y437 HydrophobicContact CB-CD1 3.95Å; F413-Y437 HydrophobicContact CB-CE1 3.76Å; F413-Y437 HydrophobicContact CD1-CD1 4.05Å; F413-Y437 AromaticContact CD1-CE1 3.07Å; F413-Y437 HydrophobicContact CD1-CE1 3.07Å; F413-Y437 HydrophobicContact CD1-CE2 4.33Å; F413-Y437 AromaticContact CD1-CZ 3.26Å; F413-Y437 WeakPolarHBondContact CD1-OH 3.43Å; F413-Y437 AromaticContact CE1-CE1 3.82Å; F413-Y437 HydrophobicContact CE1-CE1 3.82Å; F413-Y437 AromaticContact CE1-CZ 3.67Å; F413-Y437 WeakPolarHBondContact CE1-OH 3.31Å; F413-Y437 HydrophobicContact CG-CD1 4.28Å; F413-Y437 AromaticContact CG-CE1 3.58Å; F413-Y437 HydrophobicContact CG-CE1 3.58Å; F413-K441 VanDerWaalsContact CE2-NZ 3.27Å
414	G	45.2	Very low	49.1	Very low	18 Å²	18	52.1 Å²	52.1	19%	0.186	27%	0.269	C	S	.	.	S	Bend	trans	-94	166.2	164.8	0	0	0	0	0	110.6	D410	D410-G414 PolarHBondContact O-N 3.21Å
415	P	48.8	Very low	50.6	Low	14 Å²	14	56.9 Å²	56.9	9%	0.091	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-53	143.8	165	26.4	-37.3	0	0	0	109.9	S417 L420 L430	P415-S417 PolarHBondContact O-N 3.33Å; P415-L420 HydrophobicContact CB-CD1 4.3Å; P415-L420 HydrophobicContact CB-CD2 4.31Å; P415-L420 HydrophobicContact CB-CG 4Å; P415-L420 HydrophobicContact CG-CD1 3.69Å; P415-L420 HydrophobicContact CG-CD2 3.92Å; P415-L420 HydrophobicContact CG-CG 3.81Å; P415-L430 HydrophobicContact CB-CB 3.77Å; P415-L430 HydrophobicContact CB-CD1 3.95Å; P415-L430 HydrophobicContact CB-CD2 4.07Å; P415-L430 HydrophobicContact CB-CG 4.13Å; P415-L430 HydrophobicContact CG-CB 3.83Å
416	S	56.7	Low	52.5	Low	31 Å²	31	57.1 Å²	57.1	22%	0.217	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.3	173.3	84.1	0	0	0	0	108.3	E418 E419 L420	S416-E418 PolarHBondContact O-N 3.43Å; S416-E418 PolarHBondContact OG-N 3.43Å; S416-E419 PolarHBondContact O-N 2.97Å; S416-E419 PolarHBondContact OG-N 2.78Å; S416-L420 PolarHBondContact O-N 3.14Å
417	S	58	Low	54.5	Low	19 Å²	19	56.6 Å²	56.6	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-50.6	-38.7	173	33.8	0	0	0	0	110.7	P415 L420 I421 E464	P415-S417 PolarHBondContact O-N 3.33Å; S417-L420 PolarHBondContact O-N 3.12Å; S417-I421 WeakPolarHBondContact O-CD1 3.31Å; S417-I421 WeakPolarHBondContact O-CG1 3.38Å; S417-I421 PolarHBondContact O-N 2.85Å; S417-I421 VanDerWaalsContact O-N 3.11Å; S417-E464 PolarHBondContact OG-OE2 3.23Å
418	E	61.8	Low	56.5	Low	96 Å²	96	55.2 Å²	55.2	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-45.8	176.4	-59.1	161.8	160.6	0	0	111.9	S416 L420 I421 E422	S416-E418 PolarHBondContact O-N 3.43Å; S416-E418 PolarHBondContact OG-N 3.43Å; E418-L420 VanDerWaalsContact C-N 3.31Å; E418-L420 PolarHBondContact O-N 2.99Å; E418-I421 PolarHBondContact O-N 3.17Å; E418-I421 VanDerWaalsContact O-N 3.13Å; E418-E422 WeakPolarHBondContact O-CB 3.45Å; E418-E422 WeakPolarHBondContact O-CG 3.42Å; E418-E422 PolarHBondContact O-N 3.04Å
419	E	63.6	Low	58.6	Low	75 Å²	75	56.3 Å²	56.3	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-35.1	-178.7	-161.1	177	-170.1	0	0	112.2	S416 Q423 L430	S416-E419 PolarHBondContact O-N 2.97Å; S416-E419 PolarHBondContact OG-N 2.78Å; E419-Q423 PolarHBondContact O-N 3.45Å; E419-Q423 VanDerWaalsContact O-N 3.12Å; E419-L430 HydrophobicContact CB-CD1 4.44Å; E419-L430 HydrophobicContact CG-CD1 3.96Å; E419-L430 HydrophobicContact CG-CD2 4.38Å
420	L	63.8	Low	60.5	Low	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-34.4	174.8	-69	167.4	0	0	0	112.9	P415 S416 S417 E418 T427 L430 L550	P415-L420 HydrophobicContact CB-CD1 4.3Å; P415-L420 HydrophobicContact CB-CD2 4.31Å; P415-L420 HydrophobicContact CB-CG 4Å; P415-L420 HydrophobicContact CG-CD1 3.69Å; P415-L420 HydrophobicContact CG-CD2 3.92Å; P415-L420 HydrophobicContact CG-CG 3.81Å; S416-L420 PolarHBondContact O-N 3.14Å; S417-L420 PolarHBondContact O-N 3.12Å; E418-L420 VanDerWaalsContact C-N 3.31Å; E418-L420 PolarHBondContact O-N 2.99Å; L420-T427 HydrophobicContact CD2-CG2 3.79Å; L420-L430 HydrophobicContact CD2-CB 4.18Å; L420-L430 HydrophobicContact CD2-CD1 3.79Å; L420-L430 HydrophobicContact CG-CD1 4.33Å; L420-L550 HydrophobicContact CB-CD1 4.4Å; L420-L550 HydrophobicContact CD1-CD1 3.74Å; L420-L550 HydrophobicContact CD1-CD2 3.39Å; L420-L550 HydrophobicContact CD1-CG 4.05Å
421	I	61.2	Low	62.6	Low	83 Å²	83	55 Å²	55	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-74.7	-45	178.1	-64.2	163.1	0	0	0	110.5	S417 E418 L550	S417-I421 WeakPolarHBondContact O-CD1 3.31Å; S417-I421 WeakPolarHBondContact O-CG1 3.38Å; S417-I421 PolarHBondContact O-N 2.85Å; S417-I421 VanDerWaalsContact O-N 3.11Å; E418-I421 PolarHBondContact O-N 3.17Å; E418-I421 VanDerWaalsContact O-N 3.13Å; I421-L550 WeakPolarHBondContact CD1-O 3.3Å; I421-L550 WeakPolarHBondContact CG1-O 3.47Å
422	E	66.6	Low	65	Low	150 Å²	150	52.8 Å²	52.8	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-72.7	-32.1	-175.3	-71.5	-179.5	-177.6	0	0	112.3	E418	E418-E422 WeakPolarHBondContact O-CB 3.45Å; E418-E422 WeakPolarHBondContact O-CG 3.42Å; E418-E422 PolarHBondContact O-N 3.04Å
423	Q	71.1	Confident	67.2	Low	92 Å²	92	54.7 Å²	54.7	43%	0.43	27%	0.274	S	S	.	.			trans	-131.4	69	-176.8	-59.7	-177.3	0.6	0	0	110.9	E419 D425 N426	E419-Q423 PolarHBondContact O-N 3.45Å; E419-Q423 VanDerWaalsContact O-N 3.12Å; Q423-D425 PolarHBondContact O-N 2.74Å; Q423-D425 VanDerWaalsContact O-N 3.14Å; Q423-N426 HydrophobicContact CB-CB 4.12Å; Q423-N426 WeakPolarHBondContact O-CB 3.44Å; Q423-N426 PolarHBondContact O-N 3.43Å; Q423-N426 PolarHBondContact OE1-ND2 3.06Å
424	P	67.6	Low	69.1	Low	56 Å²	56	52.4 Å²	52.4	36%	0.364	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.1	-176.6	21.7	-32.5	0	0	0	112.5	N426 T427 Y504	P424-N426 PolarHBondContact O-N 3.24Å; P424-T427 WeakPolarHBondContact O-CB 3.46Å; P424-T427 PolarHBondContact O-N 3.14Å; P424-T427 PolarHBondContact O-OG1 3.01Å; P424-Y504 HydrophobicContact CB-CD2 4.04Å; P424-Y504 WeakPolarHBondContact O-CD2 3.34Å; P424-Y504 WeakPolarHBondContact O-CE2 3.24Å
425	D	74.3	Confident	70.9	Confident	147 Å²	147	52.2 Å²	52.2	79%	0.786	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.7	177.7	-61.8	-24.7	0	0	0	113.2	Q423 T427	Q423-D425 PolarHBondContact O-N 2.74Å; Q423-D425 VanDerWaalsContact O-N 3.14Å; D425-T427 VanDerWaalsContact C-N 3.35Å
426	N	77.6	Confident	72.5	Confident	65 Å²	65	54 Å²	54	35%	0.348	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-85.9	-6.7	177.3	-77	-20.2	0	0	0	113.1	Q423 P424 K429 L430	Q423-N426 HydrophobicContact CB-CB 4.12Å; Q423-N426 WeakPolarHBondContact O-CB 3.44Å; Q423-N426 PolarHBondContact O-N 3.43Å; Q423-N426 PolarHBondContact OE1-ND2 3.06Å; P424-N426 PolarHBondContact O-N 3.24Å; N426-K429 WeakPolarHBondContact O-CB 3.38Å; N426-K429 PolarHBondContact O-N 3.19Å; N426-L430 HydrophobicContact CB-CD1 4.2Å; N426-L430 HydrophobicContact CB-CG 4.39Å; N426-L430 WeakPolarHBondContact O-CG 3.33Å; N426-L430 PolarHBondContact O-N 2.99Å
427	T	76.2	Confident	73.6	Confident	1 Å²	1	57 Å²	57	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-49.2	-48.3	-177.9	-61.8	0	0	0	0	113.5	L420 P424 D425 K429 L430 L431 Y504	L420-T427 HydrophobicContact CD2-CG2 3.79Å; P424-T427 WeakPolarHBondContact O-CB 3.46Å; P424-T427 PolarHBondContact O-N 3.14Å; P424-T427 PolarHBondContact O-OG1 3.01Å; D425-T427 VanDerWaalsContact C-N 3.35Å; T427-K429 VanDerWaalsContact C-N 3.33Å; T427-K429 PolarHBondContact O-N 3.35Å; T427-L430 PolarHBondContact O-N 3.47Å; T427-L431 HydrophobicContact CG2-CD1 3.69Å; T427-L431 HydrophobicContact CG2-CG 4.23Å; T427-L431 WeakPolarHBondContact O-CG 3.49Å; T427-L431 PolarHBondContact O-N 3.18Å; T427-Y504 HydrophobicContact CG2-CD1 3.75Å; T427-Y504 HydrophobicContact CG2-CE1 4.23Å; T427-Y504 HydrophobicContact CG2-CG 3.93Å
428	P	81	Confident	74.4	Confident	5 Å²	5	57 Å²	57	3%	0.032	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-41.9	179.8	-25.7	36.6	0	0	0	113.3	Y310 M346 L348 L431 K432	Y310-P428 HydrophobicContact CD1-CB 3.93Å; Y310-P428 HydrophobicContact CD2-CB 3.89Å; Y310-P428 HydrophobicContact CD2-CG 4.49Å; Y310-P428 HydrophobicContact CE1-CB 4.12Å; Y310-P428 HydrophobicContact CE1-CG 4.19Å; Y310-P428 HydrophobicContact CE2-CB 4.09Å; Y310-P428 HydrophobicContact CE2-CG 4.19Å; Y310-P428 HydrophobicContact CG-CB 3.79Å; M346-P428 HydrophobicContact SD-CB 4.11Å; L348-P428 HydrophobicContact CD2-CB 3.69Å; L348-P428 HydrophobicContact CD2-CG 3.86Å; P428-L431 PolarHBondContact O-N 3.42Å; P428-K432 WeakPolarHBondContact O-CB 3.03Å; P428-K432 PolarHBondContact O-N 2.91Å
429	K	80.2	Confident	75.3	Confident	52 Å²	52	55.8 Å²	55.8	23%	0.226	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-43.4	179.2	-179.1	177.8	169.1	179.4	0	111.4	I342 D343 M346 N426 T427 K432 R433	I342-K429 HydrophobicContact CG2-CG 4.35Å; I342-K429 VanDerWaalsContact O-CE 3.23Å; I342-K429 WeakPolarHBondContact O-CE 3.3Å; D343-K429 PolarHBondContact O-NZ 3Å; D343-K429 WeakPolarHBondContact OD1-CE 3.32Å; D343-K429 IonicContact OD1-NZ 2.81Å; D343-K429 PolarHBondContact OD1-NZ 3.37Å; M346-K429 HydrophobicContact CG-CB 4.28Å; M346-K429 WeakPolarHBondContact SD-CA 3.26Å; M346-K429 HydrophobicContact SD-CB 3.99Å; M346-K429 PolarHBondContact SD-N 3.38Å; N426-K429 WeakPolarHBondContact O-CB 3.38Å; N426-K429 PolarHBondContact O-N 3.19Å; T427-K429 VanDerWaalsContact C-N 3.33Å; T427-K429 PolarHBondContact O-N 3.35Å; K429-K432 PolarHBondContact O-N 3.14Å; K429-R433 WeakPolarHBondContact O-CB 3.45Å; K429-R433 PolarHBondContact O-N 3.21Å
430	L	77.7	Confident	76.1	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-42.8	178.5	-68.6	172.5	0	0	0	111.9	P415 E419 L420 N426 T427 R433 A434	P415-L430 HydrophobicContact CB-CB 3.77Å; P415-L430 HydrophobicContact CB-CD1 3.95Å; P415-L430 HydrophobicContact CB-CD2 4.07Å; P415-L430 HydrophobicContact CB-CG 4.13Å; P415-L430 HydrophobicContact CG-CB 3.83Å; E419-L430 HydrophobicContact CB-CD1 4.44Å; E419-L430 HydrophobicContact CG-CD1 3.96Å; E419-L430 HydrophobicContact CG-CD2 4.38Å; L420-L430 HydrophobicContact CD2-CB 4.18Å; L420-L430 HydrophobicContact CD2-CD1 3.79Å; L420-L430 HydrophobicContact CG-CD1 4.33Å; N426-L430 HydrophobicContact CB-CD1 4.2Å; N426-L430 HydrophobicContact CB-CG 4.39Å; N426-L430 WeakPolarHBondContact O-CG 3.33Å; N426-L430 PolarHBondContact O-N 2.99Å; T427-L430 PolarHBondContact O-N 3.47Å; L430-R433 PolarHBondContact O-N 2.95Å; L430-A434 WeakPolarHBondContact O-CB 3.39Å; L430-A434 PolarHBondContact O-N 2.95Å
431	L	79.3	Confident	76.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-41.1	177.9	-68.2	174.7	0	0	0	112.3	L308 P309 Y310 T427 P428 R433 A434 H435	L308-L431 HydrophobicContact CD2-CD2 4.44Å; P309-L431 HydrophobicContact CG-CD1 3.73Å; Y310-L431 HydrophobicContact CD2-CB 4.28Å; Y310-L431 HydrophobicContact CD2-CD1 4.08Å; Y310-L431 HydrophobicContact CE2-CD1 4Å; T427-L431 HydrophobicContact CG2-CD1 3.69Å; T427-L431 HydrophobicContact CG2-CG 4.23Å; T427-L431 WeakPolarHBondContact O-CG 3.49Å; T427-L431 PolarHBondContact O-N 3.18Å; P428-L431 PolarHBondContact O-N 3.42Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 3.24Å; L431-A434 PolarHBondContact O-N 2.93Å; L431-H435 PolarHBondContact O-N 3.3Å
432	K	83.6	Confident	77.2	Confident	28 Å²	28	55.5 Å²	55.5	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-42.6	173.2	-180	171.4	-178.4	-178.9	0	111.8	C313 T315 M346 P428 K429 H435 H436	C313-K432 PolarHBondContact O-NZ 3.3Å; T315-K432 PolarHBondContact OG1-NZ 2.78Å; M346-K432 HydrophobicContact CE-CB 4.19Å; M346-K432 HydrophobicContact CE-CD 3.3Å; M346-K432 HydrophobicContact CE-CG 4.35Å; M346-K432 HydrophobicContact SD-CB 4.41Å; M346-K432 HydrophobicContact SD-CD 4.33Å; P428-K432 WeakPolarHBondContact O-CB 3.03Å; P428-K432 PolarHBondContact O-N 2.91Å; K429-K432 PolarHBondContact O-N 3.14Å; K432-H435 PolarHBondContact O-N 3.14Å; K432-H436 PolarHBondContact O-N 3.34Å
433	R	79.3	Confident	77.6	Confident	140 Å²	140	51 Å²	51	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-43.2	176.7	-175.2	178	169.8	-168.2	-3.1	111.7	I342 K429 L430 L431 H435 H436 Y437	I342-R433 HydrophobicContact CG2-CB 4.2Å; K429-R433 WeakPolarHBondContact O-CB 3.45Å; K429-R433 PolarHBondContact O-N 3.21Å; L430-R433 PolarHBondContact O-N 2.95Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 3.24Å; R433-H435 VanDerWaalsContact C-N 3.34Å; R433-H435 PolarHBondContact O-N 3.08Å; R433-H436 PolarHBondContact O-N 2.82Å; R433-Y437 PolarHBondContact O-N 3.01Å
434	A	76.8	Confident	77.5	Confident	8 Å²	8	52.5 Å²	52.5	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-41.9	175.5	0	0	0	0	0	111.9	L308 L430 L431 Y437 L438	L308-A434 HydrophobicContact CD1-CB 3.92Å; L430-A434 WeakPolarHBondContact O-CB 3.39Å; L430-A434 PolarHBondContact O-N 2.95Å; L431-A434 PolarHBondContact O-N 2.93Å; A434-Y437 PolarHBondContact O-N 3.42Å; A434-L438 WeakPolarHBondContact O-CG 3.42Å; A434-L438 PolarHBondContact O-N 2.98Å; A434-L438 VanDerWaalsContact O-N 3.08Å
435	H	83	Confident	77.5	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.06	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-47.7	173.3	176	-91.4	0	0	0	112.1	F279 L308 N311 E357 L431 K432 R433 Y437 L438 K439	F279-H435 AromaticContact CD1-NE2 3.76Å; F279-H435 AromaticContact CE1-NE2 3.8Å; L308-H435 HydrophobicContact CB-CB 4.22Å; L308-H435 HydrophobicContact CD1-CB 4.26Å; N311-H435 HydrophobicContact CB-CB 4Å; N311-H435 WeakPolarHBondContact CB-ND1 3.48Å; E357-H435 IonicContact OE2-CE1 3.27Å; E357-H435 PolarHBondContact OE2-CE1 3.3Å; E357-H435 IonicContact OE2-NE2 2.72Å; L431-H435 PolarHBondContact O-N 3.3Å; K432-H435 PolarHBondContact O-N 3.14Å; R433-H435 VanDerWaalsContact C-N 3.34Å; R433-H435 PolarHBondContact O-N 3.08Å; H435-Y437 VanDerWaalsContact C-N 3.29Å; H435-Y437 PolarHBondContact O-N 3.23Å; H435-L438 WeakPolarHBondContact O-CB 3.44Å; H435-L438 PolarHBondContact O-N 2.9Å; H435-L438 VanDerWaalsContact O-N 3.14Å; H435-K439 PolarHBondContact O-N 3.04Å
436	H	82.8	Confident	77.2	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.236	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-44.7	177.8	-178.3	79	0	0	0	111.5	I342 K432 R433 L438 K439 C440	I342-H436 HydrophobicContact CD1-CB 3.77Å; K432-H436 PolarHBondContact O-N 3.34Å; R433-H436 PolarHBondContact O-N 2.82Å; H436-L438 PolarHBondContact O-N 3.11Å; H436-K439 WeakPolarHBondContact O-CB 3.23Å; H436-K439 PolarHBondContact O-N 2.87Å; H436-K439 VanDerWaalsContact O-N 3.13Å; H436-C440 PolarHBondContact NE2-SG 3.26Å; H436-C440 VanDerWaalsContact NE2-SG 3.35Å; H436-C440 PolarHBondContact O-N 2.91Å; H436-C440 PolarHBondContact O-SG 2.84Å
437	Y	79.3	Confident	76.3	Confident	95 Å²	95	52.9 Å²	52.9	37%	0.373	27%	0.266	S	S	.	.	H	α-helix	trans	-57	-46.2	175.3	178.4	-90.5	0	0	0	112.5	F413 R433 A434 H435 K439 C440 K441	F413-Y437 HydrophobicContact CB-CD1 3.95Å; F413-Y437 HydrophobicContact CB-CE1 3.76Å; F413-Y437 HydrophobicContact CD1-CD1 4.05Å; F413-Y437 AromaticContact CD1-CE1 3.07Å; F413-Y437 HydrophobicContact CD1-CE1 3.07Å; F413-Y437 HydrophobicContact CD1-CE2 4.33Å; F413-Y437 AromaticContact CD1-CZ 3.26Å; F413-Y437 WeakPolarHBondContact CD1-OH 3.43Å; F413-Y437 AromaticContact CE1-CE1 3.82Å; F413-Y437 HydrophobicContact CE1-CE1 3.82Å; F413-Y437 AromaticContact CE1-CZ 3.67Å; F413-Y437 WeakPolarHBondContact CE1-OH 3.31Å; F413-Y437 HydrophobicContact CG-CD1 4.28Å; F413-Y437 AromaticContact CG-CE1 3.58Å; F413-Y437 HydrophobicContact CG-CE1 3.58Å; R433-Y437 PolarHBondContact O-N 3.01Å; A434-Y437 PolarHBondContact O-N 3.42Å; H435-Y437 VanDerWaalsContact C-N 3.29Å; H435-Y437 PolarHBondContact O-N 3.23Å; Y437-K439 VanDerWaalsContact C-N 3.31Å; Y437-K439 PolarHBondContact O-N 3.34Å; Y437-C440 PolarHBondContact O-N 3.34Å; Y437-K441 HydrophobicContact CE1-CB 4.39Å; Y437-K441 HydrophobicContact CE1-CD 3.73Å; Y437-K441 WeakPolarHBondContact O-CB 3.26Å; Y437-K441 PolarHBondContact O-N 2.69Å
438	L	75.8	Confident	75.8	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-44.4	175.8	-68.3	174.9	0	0	0	111.2	F279 I306 L308 A434 H435 H436 K441 Y442	F279-L438 HydrophobicContact CZ-CB 4.28Å; I306-L438 HydrophobicContact CG2-CD1 4.34Å; L308-L438 HydrophobicContact CD1-CD1 3.65Å; A434-L438 WeakPolarHBondContact O-CG 3.42Å; A434-L438 PolarHBondContact O-N 2.98Å; A434-L438 VanDerWaalsContact O-N 3.08Å; H435-L438 WeakPolarHBondContact O-CB 3.44Å; H435-L438 PolarHBondContact O-N 2.9Å; H435-L438 VanDerWaalsContact O-N 3.14Å; H436-L438 PolarHBondContact O-N 3.11Å; L438-K441 PolarHBondContact O-N 2.81Å; L438-Y442 HydrophobicContact CB-CD2 4.47Å; L438-Y442 HydrophobicContact CD2-CD2 4.46Å; L438-Y442 HydrophobicContact CD2-CE2 3.83Å; L438-Y442 WeakPolarHBondContact O-CD2 3.15Å; L438-Y442 PolarHBondContact O-N 3.06Å
439	K	81.7	Confident	74.6	Confident	70 Å²	70	56.5 Å²	56.5	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-47.6	179.4	-163	171.3	-173.7	168	0	111.2	F279 E357 H435 H436 Y437 K441 Y442 C443	F279-K439 HydrophobicContact CD2-CG 4.43Å; F279-K439 HydrophobicContact CE1-CB 4.22Å; F279-K439 HydrophobicContact CE1-CG 4.49Å; F279-K439 HydrophobicContact CE2-CB 4.43Å; F279-K439 HydrophobicContact CE2-CG 4.32Å; F279-K439 VanDerWaalsContact CZ-CA 3.49Å; F279-K439 HydrophobicContact CZ-CB 4.05Å; F279-K439 HydrophobicContact CZ-CG 4.36Å; E357-K439 IonicContact OE1-NZ 2.97Å; E357-K439 PolarHBondContact OE1-NZ 3.34Å; E357-K439 IonicContact OE2-NZ 2.68Å; E357-K439 PolarHBondContact OE2-NZ 2.93Å; H435-K439 PolarHBondContact O-N 3.04Å; H436-K439 WeakPolarHBondContact O-CB 3.23Å; H436-K439 PolarHBondContact O-N 2.87Å; H436-K439 VanDerWaalsContact O-N 3.13Å; Y437-K439 VanDerWaalsContact C-N 3.31Å; Y437-K439 PolarHBondContact O-N 3.34Å; K439-K441 VanDerWaalsContact C-N 3.31Å; K439-K441 PolarHBondContact O-N 2.69Å; K439-Y442 PolarHBondContact O-N 2.93Å; K439-C443 WeakPolarHBondContact O-CA 3.34Å; K439-C443 VanDerWaalsContact O-CB 3.26Å; K439-C443 WeakPolarHBondContact O-CB 3.41Å; K439-C443 PolarHBondContact O-N 2.81Å
440	C	78.9	Confident	73.6	Confident	76 Å²	76	54.1 Å²	54.1	51%	0.514	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-30.5	177.8	-68	0	0	0	0	113.4	H436 Y437 C443	H436-C440 PolarHBondContact NE2-SG 3.26Å; H436-C440 VanDerWaalsContact NE2-SG 3.35Å; H436-C440 PolarHBondContact O-N 2.91Å; H436-C440 PolarHBondContact O-SG 2.84Å; Y437-C440 PolarHBondContact O-N 3.34Å; C440-C443 CarbonylContact C-O 3.56Å
441	K	74.8	Confident	72.3	Confident	78 Å²	78	57.1 Å²	57.1	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-73.9	-39.8	178.2	-173.8	172.6	-177.4	177.5	0	112.5	F413 Y437 L438 K439	F413-K441 VanDerWaalsContact CE2-NZ 3.27Å; Y437-K441 HydrophobicContact CE1-CB 4.39Å; Y437-K441 HydrophobicContact CE1-CD 3.73Å; Y437-K441 WeakPolarHBondContact O-CB 3.26Å; Y437-K441 PolarHBondContact O-N 2.69Å; L438-K441 PolarHBondContact O-N 2.81Å; K439-K441 VanDerWaalsContact C-N 3.31Å; K439-K441 PolarHBondContact O-N 2.69Å
442	Y	73.8	Confident	71.2	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-102.5	-19.6	-172.4	-61.2	-65	0	0	0	114	Y277 L359 L438 K439 K445 P446 I448	Y277-Y442 AromaticContact CD1-CD1 3.97Å; Y277-Y442 HydrophobicContact CD1-CD1 3.97Å; Y277-Y442 HydrophobicContact CD1-CD2 4.43Å; Y277-Y442 HydrophobicContact CD1-CE1 4.27Å; Y277-Y442 HydrophobicContact CD1-CG 4.07Å; Y277-Y442 AromaticContact CD2-CD1 3.9Å; Y277-Y442 HydrophobicContact CD2-CD1 3.9Å; Y277-Y442 HydrophobicContact CD2-CE1 4.48Å; Y277-Y442 HydrophobicContact CD2-CG 4.49Å; Y277-Y442 HydrophobicContact CE1-CD1 4Å; Y277-Y442 AromaticContact CE1-CE1 3.85Å; Y277-Y442 HydrophobicContact CE1-CE1 3.85Å; Y277-Y442 HydrophobicContact CE1-CG 4.46Å; Y277-Y442 AromaticContact CE2-CD1 3.98Å; Y277-Y442 HydrophobicContact CE2-CD1 3.98Å; Y277-Y442 HydrophobicContact CE2-CE1 4.12Å; Y277-Y442 AromaticContact CG-CD1 3.92Å; Y277-Y442 HydrophobicContact CG-CD1 3.92Å; Y277-Y442 HydrophobicContact CG-CG 4.08Å; Y277-Y442 AromaticContact CZ-CE1 3.77Å; L359-Y442 HydrophobicContact CD2-CD2 4.29Å; L438-Y442 HydrophobicContact CB-CD2 4.47Å; L438-Y442 HydrophobicContact CD2-CD2 4.46Å; L438-Y442 HydrophobicContact CD2-CE2 3.83Å; L438-Y442 WeakPolarHBondContact O-CD2 3.15Å; L438-Y442 PolarHBondContact O-N 3.06Å; K439-Y442 PolarHBondContact O-N 2.93Å; Y442-K445 CarbonylContact O-C 3.52Å; Y442-K445 PolarHBondContact O-N 2.84Å; Y442-P446 WeakPolarHBondContact O-CA 3.36Å; Y442-I448 HydrophobicContact CD1-CD1 4.32Å; Y442-I448 HydrophobicContact CE1-CD1 4.45Å
443	C	74.1	Confident	69.5	Low	55 Å²	55	56 Å²	56	37%	0.372	28%	0.28	S	S	.	.	S	Bend	trans	-102.8	125.2	164.1	-69.8	0	0	0	0	108.3	K439 C440	K439-C443 WeakPolarHBondContact O-CA 3.34Å; K439-C443 VanDerWaalsContact O-CB 3.26Å; K439-C443 WeakPolarHBondContact O-CB 3.41Å; K439-C443 PolarHBondContact O-N 2.81Å; C440-C443 CarbonylContact C-O 3.56Å
444	P	70.1	Confident	68	Low	123 Å²	123	50.4 Å²	50.4	80%	0.799	26%	0.259	S	S	*	.	S	Bend	cis	-104.2	5.5	25.2	37.7	-36.8	0	0	0	115.8	P446	P444-P446 WeakPolarHBondContact O-CD 3.41Å
445	K	68.2	Low	66.5	Low	167 Å²	167	50.4 Å²	50.4	73%	0.726	26%	0.259	S	S	*	.			trans	-107.4	73.8	177.6	-69	-175.6	-177.1	177.1	0	110.6	Y442 T447	Y442-K445 CarbonylContact O-C 3.52Å; Y442-K445 PolarHBondContact O-N 2.84Å; K445-T447 PolarHBondContact O-N 2.65Å
446	P	66.5	Low	64.9	Low	49 Å²	49	50.1 Å²	50.1	32%	0.318	26%	0.258	S	S	.	.			trans	-70.4	0.3	-172.8	29.5	-37.3	0	0	0	113.5	N276 Y277 Y442 P444	N276-P446 CarbonylContact C-O 3.05Å; N276-P446 WeakPolarHBondContact CA-O 3.34Å; Y277-P446 VanDerWaalsContact CD2-O 3.28Å; Y277-P446 WeakPolarHBondContact CD2-O 3.43Å; Y277-P446 PolarHBondContact N-O 3.04Å; Y277-P446 WeakPolarHBondContact O-CB 3.41Å; Y442-P446 WeakPolarHBondContact O-CA 3.36Å; P444-P446 WeakPolarHBondContact O-CD 3.41Å
447	T	59.3	Low	63.1	Low	61 Å²	61	48.7 Å²	48.7	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.6	-176.1	64.7	0	0	0	0	111.3	K274 V275 N276 K445	K274-T447 VanDerWaalsContact CE-CB 3.47Å; V275-T447 CarbonylContact O-C 3.54Å; V275-T447 VanDerWaalsContact O-CA 3.23Å; V275-T447 WeakPolarHBondContact O-CA 3.25Å; N276-T447 HydrophobicContact CB-CG2 4.14Å; N276-T447 WeakPolarHBondContact OD1-CG2 3.34Å; K445-T447 PolarHBondContact O-N 2.65Å
448	I	66.6	Low	61.2	Low	34 Å²	34	45.1 Å²	45.1	17%	0.174	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.3	173.1	-68.2	118.1	0	0	0	108.2	V275 Y277 Q404 Y442 Q450	V275-I448 PolarHBondContact N-O 3.04Å; V275-I448 PolarHBondContact O-N 3.14Å; Y277-I448 HydrophobicContact CD2-CD1 4.13Å; Y277-I448 HydrophobicContact CE2-CD1 3.56Å; Q404-I448 VanDerWaalsContact NE2-CD1 3.29Å; Y442-I448 HydrophobicContact CD1-CD1 4.32Å; Y442-I448 HydrophobicContact CE1-CD1 4.45Å; I448-Q450 HydrophobicContact CG2-CG 4.18Å
449	I	55.4	Low	59.6	Low	47 Å²	47	45.5 Å²	45.5	24%	0.241	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.6	170.8	-61.3	174.3	0	0	0	106.7	L366 Y374	L366-I449 HydrophobicContact CD1-CG2 4.05Å; Y374-I449 HydrophobicContact CD1-CD1 4.15Å; Y374-I449 HydrophobicContact CE1-CD1 3.59Å; Y374-I449 HydrophobicContact CE2-CD1 4.07Å
450	Q	59.6	Low	57.5	Low	2 Å²	2	42.4 Å²	42.4	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.4	173.6	-70.7	-171.3	-2.9	0	0	109.8	T273 V275 I448 T452 L456	T273-Q450 PolarHBondContact N-O 3.19Å; T273-Q450 VanDerWaalsContact N-O 3.16Å; T273-Q450 PolarHBondContact O-N 2.85Å; T273-Q450 VanDerWaalsContact O-O 3.09Å; V275-Q450 HydrophobicContact CG2-CB 4.23Å; V275-Q450 HydrophobicContact CG2-CG 3.89Å; I448-Q450 HydrophobicContact CG2-CG 4.18Å; Q450-T452 PolarHBondContact O-N 2.82Å; Q450-L456 VanDerWaalsContact OE1-CG 3.27Å
451	Y	50.3	Low	55.6	Low	79 Å²	79	47.3 Å²	47.3	31%	0.31	24%	0.243	S	C	.	.	S	Bend	trans	-67.3	-23.3	-175.5	-76.5	-83.3	0	0	0	113.1	L272	L272-Y451 HydrophobicContact CD2-CD1 3.7Å; L272-Y451 HydrophobicContact CD2-CE1 4.4Å; L272-Y451 HydrophobicContact CD2-CG 4.35Å; L272-Y451 WeakPolarHBondContact CD2-O 3.29Å
452	T	54.6	Low	54.2	Low	4 Å²	4	45.4 Å²	45.4	3%	0.025	23%	0.234	C	C	.	.			trans	-151.8	149.3	177.5	71.6	0	0	0	0	111.7	I270 Q450 W454 A455	I270-T452 HydrophobicContact CD1-CG2 3.54Å; I270-T452 HydrophobicContact CG1-CG2 4.2Å; Q450-T452 PolarHBondContact O-N 2.82Å; T452-W454 PolarHBondContact O-N 3.06Å; T452-W454 VanDerWaalsContact O-N 3.15Å; T452-W454 PolarHBondContact OG1-N 2.85Å; T452-A455 PolarHBondContact O-N 3.38Å
453	P	48.7	Very low	52.9	Low	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.7	-19.8	170.4	-27.5	36	0	0	0	114.8	Y189 T273 A455 L456	Y189-P453 HydrophobicContact CD2-CB 4.21Å; Y189-P453 HydrophobicContact CE1-CB 4.18Å; Y189-P453 HydrophobicContact CE2-CB 3.35Å; Y189-P453 HydrophobicContact CE2-CG 4.11Å; Y189-P453 WeakPolarHBondContact OH-CB 3.18Å; Y189-P453 VanDerWaalsContact OH-CG 3.29Å; Y189-P453 WeakPolarHBondContact OH-CG 3.1Å; T273-P453 WeakPolarHBondContact OG1-CG 3.46Å; P453-A455 VanDerWaalsContact C-N 3.34Å; P453-L456 HydrophobicContact CB-CD1 4.24Å; P453-L456 VanDerWaalsContact O-CB 3.26Å; P453-L456 WeakPolarHBondContact O-CB 3.44Å; P453-L456 PolarHBondContact O-N 2.69Å
454	W	47.6	Very low	51.6	Low	24 Å²	24	52.4 Å²	52.4	9%	0.091	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-67.9	-34.4	179.6	-42.5	102.8	0	0	0	112.3	I176 Q179 E185 I186 Y189 T452 L456 N457 S458	I176-W454 HydrophobicContact CD1-CB 4.46Å; I176-W454 HydrophobicContact CD1-CE3 4.41Å; I176-W454 HydrophobicContact CG1-CB 4.36Å; I176-W454 HydrophobicContact CG1-CD2 4.2Å; I176-W454 HydrophobicContact CG1-CE3 3.81Å; I176-W454 HydrophobicContact CG1-CG 4.4Å; I176-W454 HydrophobicContact CG1-CZ3 4.48Å; I176-W454 HydrophobicContact CG2-CB 4.17Å; I176-W454 HydrophobicContact CG2-CG 4.37Å; Q179-W454 HydrophobicContact CG-CZ2 4.46Å; E185-W454 HydrophobicContact CB-CZ2 3.76Å; I186-W454 HydrophobicContact CB-CH2 4.09Å; Y189-W454 HydrophobicContact CD1-CD2 4.08Å; Y189-W454 AromaticContact CD1-CE3 3.56Å; Y189-W454 HydrophobicContact CD1-CE3 3.56Å; Y189-W454 AromaticContact CD1-CH2 3.51Å; Y189-W454 HydrophobicContact CD1-CH2 3.51Å; Y189-W454 HydrophobicContact CD1-CZ2 4.04Å; Y189-W454 AromaticContact CD1-CZ3 3.29Å; Y189-W454 HydrophobicContact CD1-CZ3 3.29Å; Y189-W454 AromaticContact CE1-CD2 3.87Å; Y189-W454 HydrophobicContact CE1-CD2 3.87Å; Y189-W454 AromaticContact CE1-CE2 3.69Å; Y189-W454 AromaticContact CE1-CE3 3.81Å; Y189-W454 HydrophobicContact CE1-CE3 3.81Å; Y189-W454 AromaticContact CE1-CH2 3.32Å; Y189-W454 HydrophobicContact CE1-CH2 3.32Å; Y189-W454 AromaticContact CE1-CZ2 3.4Å; Y189-W454 HydrophobicContact CE1-CZ2 3.4Å; Y189-W454 AromaticContact CE1-CZ3 3.59Å; Y189-W454 HydrophobicContact CE1-CZ3 3.59Å; T452-W454 PolarHBondContact O-N 3.06Å; T452-W454 VanDerWaalsContact O-N 3.15Å; T452-W454 PolarHBondContact OG1-N 2.85Å; W454-L456 PolarHBondContact O-N 2.78Å; W454-N457 PolarHBondContact O-N 3.29Å; W454-S458 PolarHBondContact O-N 2.67Å; W454-S458 PolarHBondContact O-OG 3.35Å
455	A	46.1	Very low	50.5	Low	7 Å²	7	47.4 Å²	47.4	6%	0.058	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.6	176.3	0	0	0	0	0	112.8	P402 T452 P453 N457	P402-A455 HydrophobicContact CB-CB 4.48Å; T452-A455 PolarHBondContact O-N 3.38Å; P453-A455 VanDerWaalsContact C-N 3.34Å; A455-N457 VanDerWaalsContact C-N 3.26Å; A455-N457 PolarHBondContact O-N 2.76Å
456	L	48.8	Very low	50.1	Low	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-67.1	-26.8	179.6	-72.7	162.7	0	0	0	113.9	T273 V275 R361 T363 Q450 P453 W454	T273-L456 HydrophobicContact CG2-CD1 4.39Å; V275-L456 HydrophobicContact CB-CD2 4.28Å; V275-L456 HydrophobicContact CG1-CD2 3.83Å; V275-L456 HydrophobicContact CG2-CD2 3.43Å; V275-L456 VanDerWaalsContact CG2-CD2 3.43Å; V275-L456 HydrophobicContact CG2-CG 4.44Å; R361-L456 PolarHBondContact NH1-O 3.1Å; R361-L456 PolarHBondContact NH2-O 2.96Å; T363-L456 HydrophobicContact CG2-CD1 3.61Å; T363-L456 HydrophobicContact CG2-CD2 3.94Å; T363-L456 HydrophobicContact CG2-CG 4.45Å; Q450-L456 VanDerWaalsContact OE1-CG 3.27Å; P453-L456 HydrophobicContact CB-CD1 4.24Å; P453-L456 VanDerWaalsContact O-CB 3.26Å; P453-L456 WeakPolarHBondContact O-CB 3.44Å; P453-L456 PolarHBondContact O-N 2.69Å; W454-L456 PolarHBondContact O-N 2.78Å
457	N	46.1	Very low	50.1	Low	21 Å²	21	39.1 Å²	39.1	11%	0.112	19%	0.186	C	C	.	.	S	Bend	trans	-126.3	7	-167.8	-62.2	-48.5	0	0	0	113.2	I210 W454 A455 F459	I210-N457 HydrophobicContact CD1-CB 4.18Å; I210-N457 WeakPolarHBondContact CD1-ND2 2.99Å; W454-N457 PolarHBondContact O-N 3.29Å; A455-N457 VanDerWaalsContact C-N 3.26Å; A455-N457 PolarHBondContact O-N 2.76Å; N457-F459 VanDerWaalsContact O-CD2 3.25Å; N457-F459 WeakPolarHBondContact O-CD2 3.09Å; N457-F459 PolarHBondContact O-N 3.48Å
458	S	39	Very low	50.6	Low	20 Å²	20	36.5 Å²	36.5	14%	0.14	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-62.3	117.1	161.3	-45.8	0	0	0	0	104.4	P402 F405 W454	P402-S458 WeakPolarHBondContact CB-OG 3.45Å; P402-S458 VanDerWaalsContact CG-OG 3.3Å; P402-S458 WeakPolarHBondContact CG-OG 3.16Å; F405-S458 WeakPolarHBondContact CD1-O 3.3Å; F405-S458 VanDerWaalsContact CE1-CB 3.46Å; W454-S458 PolarHBondContact O-N 2.67Å; W454-S458 PolarHBondContact O-OG 3.35Å
459	F	41.6	Very low	50.9	Low	28 Å²	28	35 Å²	35	12%	0.123	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-82.1	133.5	159.4	-62.1	-88	0	0	0	104.6	T192 Y193 F405 N457 F462	T192-F459 WeakPolarHBondContact O-CD2 3.06Å; T192-F459 VanDerWaalsContact O-CE2 3.27Å; T192-F459 WeakPolarHBondContact O-CE2 2.94Å; Y193-F459 HydrophobicContact CD1-CD1 4.12Å; Y193-F459 HydrophobicContact CD1-CD2 4.14Å; Y193-F459 AromaticContact CD1-CE1 3.86Å; Y193-F459 HydrophobicContact CD1-CE1 3.86Å; Y193-F459 AromaticContact CD1-CE2 3.88Å; Y193-F459 HydrophobicContact CD1-CE2 3.88Å; Y193-F459 HydrophobicContact CD1-CG 4.24Å; Y193-F459 AromaticContact CD1-CZ 3.73Å; Y193-F459 HydrophobicContact CD1-CZ 3.73Å; Y193-F459 AromaticContact CE1-CE1 3.86Å; Y193-F459 HydrophobicContact CE1-CE1 3.86Å; Y193-F459 HydrophobicContact CE1-CE2 4.21Å; Y193-F459 AromaticContact CE1-CZ 3.66Å; Y193-F459 HydrophobicContact CE1-CZ 3.66Å; F405-F459 WeakPolarHBondContact CE1-O 3.03Å; N457-F459 VanDerWaalsContact O-CD2 3.25Å; N457-F459 WeakPolarHBondContact O-CD2 3.09Å; N457-F459 PolarHBondContact O-N 3.48Å; F459-F462 HydrophobicContact CB-CD2 4.26Å; F459-F462 HydrophobicContact CB-CE2 3.42Å; F459-F462 VanDerWaalsContact CB-CE2 3.42Å; F459-F462 HydrophobicContact CB-CZ 3.91Å; F459-F462 AromaticContact CD1-CE2 3.98Å; F459-F462 HydrophobicContact CD1-CE2 3.98Å; F459-F462 AromaticContact CD1-CZ 3.7Å; F459-F462 HydrophobicContact CD1-CZ 3.7Å; F459-F462 AromaticContact CG-CE2 3.77Å; F459-F462 HydrophobicContact CG-CE2 3.77Å; F459-F462 AromaticContact CG-CZ 4Å; F459-F462 HydrophobicContact CG-CZ 4Å
460	G	37.5	Very low	52	Low	5 Å²	5	33.2 Å²	33.2	5%	0.052	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-63.5	162.3	172	0	0	0	0	0	107.4	F405 Y407 F462	F405-G460 VanDerWaalsContact CD1-CA 3.47Å; Y407-G460 WeakPolarHBondContact OH-CA 3.24Å; Y407-G460 PolarHBondContact OH-N 3.01Å; G460-F462 PolarHBondContact O-N 2.7Å
461	K	40.1	Very low	53	Low	179 Å²	179	33.2 Å²	33.2	78%	0.778	15%	0.153	S	C	*	.			trans	-50.8	107.8	180	-68.5	-179.2	176.4	-176.9	0	109.3	K463	K461-K463 PolarHBondContact O-N 3.28Å; K461-K463 VanDerWaalsContact O-N 3.15Å
462	F	45.4	Very low	54.5	Low	37 Å²	37	29.4 Å²	29.4	16%	0.162	14%	0.138	C	C	.	.			trans	-59.9	119.2	167.6	-72.6	-75.3	0	0	0	107	Y193 F459 G460 L466 H586	Y193-F462 AromaticContact CD1-CE2 3.88Å; Y193-F462 HydrophobicContact CD1-CE2 3.88Å; Y193-F462 AromaticContact CD1-CZ 3.94Å; Y193-F462 HydrophobicContact CD1-CZ 3.94Å; Y193-F462 HydrophobicContact CG-CE2 4.28Å; F459-F462 HydrophobicContact CB-CD2 4.26Å; F459-F462 HydrophobicContact CB-CE2 3.42Å; F459-F462 VanDerWaalsContact CB-CE2 3.42Å; F459-F462 HydrophobicContact CB-CZ 3.91Å; F459-F462 AromaticContact CD1-CE2 3.98Å; F459-F462 HydrophobicContact CD1-CE2 3.98Å; F459-F462 AromaticContact CD1-CZ 3.7Å; F459-F462 HydrophobicContact CD1-CZ 3.7Å; F459-F462 AromaticContact CG-CE2 3.77Å; F459-F462 HydrophobicContact CG-CE2 3.77Å; F459-F462 AromaticContact CG-CZ 4Å; F459-F462 HydrophobicContact CG-CZ 4Å; G460-F462 PolarHBondContact O-N 2.7Å; F462-L466 HydrophobicContact CD1-CD1 3.41Å; F462-L466 VanDerWaalsContact CD1-CD1 3.41Å; F462-L466 HydrophobicContact CE1-CD1 3.38Å; F462-L466 HydrophobicContact CG-CD1 4.44Å; F462-L466 HydrophobicContact CZ-CD1 4.41Å; F462-H586 AromaticContact CD2-NE2 3.84Å
463	K	44.6	Very low	56	Low	158 Å²	158	29.3 Å²	29.3	69%	0.687	14%	0.137	S	C	*	.	S	Bend	trans	-73.6	-20.8	174.9	-73.9	-177.5	178	175.3	0	111.7	K461	K461-K463 PolarHBondContact O-N 3.28Å; K461-K463 VanDerWaalsContact O-N 3.15Å
464	E	46.9	Very low	57.6	Low	48 Å²	48	29.6 Å²	29.6	22%	0.224	14%	0.139	C	C	.	.	S	Bend	trans	-137.9	145.8	-174.3	-54.9	-160.8	135.4	0	0	112.2	S417 L466 K588	S417-E464 PolarHBondContact OG-OE2 3.23Å; E464-L466 PolarHBondContact O-N 2.88Å; E464-K588 IonicContact OE1-NZ 3.54Å
465	P	48.6	Very low	59.3	Low	18 Å²	18	28.5 Å²	28.5	12%	0.117	13%	0.134	C	C	.	.			trans	-60.9	132.4	171.3	-25.3	37.8	0	0	0	111.5	N553 E584 W585 H586	P465-N553 WeakPolarHBondContact CB-ND2 3.39Å; P465-N553 WeakPolarHBondContact CB-OD1 3.45Å; P465-N553 WeakPolarHBondContact CD-ND2 3.45Å; P465-N553 WeakPolarHBondContact CG-ND2 3.35Å; P465-E584 WeakPolarHBondContact CB-O 3.47Å; P465-W585 HydrophobicContact CB-CE3 4.46Å; P465-H586 WeakPolarHBondContact CG-O 3.36Å
466	L	59.1	Low	61	Low	27 Å²	27	29.4 Å²	29.4	14%	0.141	14%	0.138	C	C	.	.			trans	-110.8	136.3	177.4	-71.3	163.4	0	0	0	109.8	F462 E464 I468 M548	F462-L466 HydrophobicContact CD1-CD1 3.41Å; F462-L466 VanDerWaalsContact CD1-CD1 3.41Å; F462-L466 HydrophobicContact CE1-CD1 3.38Å; F462-L466 HydrophobicContact CG-CD1 4.44Å; F462-L466 HydrophobicContact CZ-CD1 4.41Å; E464-L466 PolarHBondContact O-N 2.88Å; L466-I468 HydrophobicContact CB-CG1 4.48Å; L466-M548 HydrophobicContact CB-CE 3.86Å; L466-M548 HydrophobicContact CD1-CE 3.48Å; L466-M548 VanDerWaalsContact CD1-CE 3.48Å; L466-M548 HydrophobicContact CD2-CE 4.46Å; L466-M548 HydrophobicContact CG-CE 4.13Å
467	R	65.9	Low	62.5	Low	15 Å²	15	31.9 Å²	31.9	6%	0.057	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.9	168	-54.6	-176.1	-164.2	-155.8	3.8	108.1	G549 G552 G554 W559 T583	R467-G549 PolarHBondContact O-N 3.01Å; R467-G552 PolarHBondContact NE-O 2.68Å; R467-G552 PolarHBondContact NH2-O 3.4Å; R467-G554 PolarHBondContact NH1-O 2.98Å; R467-G554 PolarHBondContact NH2-O 3.44Å; R467-W559 HydrophobicContact CB-CD2 4.3Å; R467-W559 HydrophobicContact CB-CE3 4.41Å; R467-W559 HydrophobicContact CB-CH2 3.62Å; R467-W559 HydrophobicContact CB-CZ2 3.52Å; R467-W559 HydrophobicContact CB-CZ3 4.1Å; R467-W559 VanDerWaalsContact CD-CE2 3.48Å; R467-W559 HydrophobicContact CG-CZ2 4.43Å; R467-T583 HydrophobicContact CG-CG2 4.48Å
468	I	69.5	Low	64.4	Low	7 Å²	7	35.2 Å²	35.2	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.5	-178.9	-53.7	-177.5	0	0	0	108.9	Y193 L466 T546 F547 M548 K582	Y193-I468 HydrophobicContact CD1-CD1 4.24Å; Y193-I468 HydrophobicContact CD2-CD1 3.77Å; Y193-I468 HydrophobicContact CE1-CD1 3.93Å; Y193-I468 HydrophobicContact CE2-CD1 3.43Å; Y193-I468 VanDerWaalsContact CE2-CD1 3.43Å; Y193-I468 HydrophobicContact CG-CD1 4.16Å; L466-I468 HydrophobicContact CB-CG1 4.48Å; I468-T546 HydrophobicContact CG2-CG2 3.42Å; I468-T546 VanDerWaalsContact CG2-CG2 3.42Å; I468-F547 WeakPolarHBondContact CA-O 3.16Å; I468-M548 HydrophobicContact CD1-CE 4.1Å; I468-M548 HydrophobicContact CD1-SD 3.95Å; I468-M548 HydrophobicContact CG1-CE 4.09Å; I468-M548 HydrophobicContact CG1-SD 3.81Å; I468-M548 HydrophobicContact CG2-SD 4.27Å; I468-K582 WeakPolarHBondContact CB-O 2.97Å; I468-K582 PolarHBondContact N-O 3.35Å; I468-K582 VanDerWaalsContact O-O 3.08Å
469	L	74.1	Confident	66.8	Low	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.1	166.3	-66.6	163.5	0	0	0	107.9	F471 T546 F547 W559 A563 I566 W581	L469-F471 HydrophobicContact CB-CE2 3.9Å; L469-T546 WeakPolarHBondContact O-CA 3.38Å; L469-F547 HydrophobicContact CB-CB 4.2Å; L469-F547 HydrophobicContact CB-CD2 4.27Å; L469-F547 PolarHBondContact N-O 3.48Å; L469-F547 PolarHBondContact O-N 2.88Å; L469-W559 HydrophobicContact CD1-CH2 3.67Å; L469-W559 HydrophobicContact CD1-CZ2 4Å; L469-W559 HydrophobicContact CD1-CZ3 4.24Å; L469-W559 HydrophobicContact CD2-CH2 4.47Å; L469-W559 HydrophobicContact CD2-CZ2 4.15Å; L469-W559 HydrophobicContact CG-CH2 3.58Å; L469-W559 HydrophobicContact CG-CZ2 3.74Å; L469-A563 HydrophobicContact CD1-CB 3.62Å; L469-A563 HydrophobicContact CD2-CB 4.11Å; L469-A563 HydrophobicContact CG-CB 4.39Å; L469-I566 HydrophobicContact CD1-CD1 4.38Å; L469-W581 HydrophobicContact CD2-CD2 3.89Å; L469-W581 HydrophobicContact CD2-CE3 3.96Å; L469-W581 HydrophobicContact CD2-CH2 3.47Å; L469-W581 VanDerWaalsContact CD2-CH2 3.47Å; L469-W581 HydrophobicContact CD2-CZ2 3.25Å; L469-W581 HydrophobicContact CD2-CZ3 3.79Å
470	K	77.5	Confident	68.9	Low	11 Å²	11	37 Å²	37	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.9	176.3	-169.2	168.3	-174.7	169.6	0	109.2	D191 P208 I545 Q580	D191-K470 IonicContact OD2-NZ 2.68Å; D191-K470 PolarHBondContact OD2-NZ 3.06Å; P208-K470 HydrophobicContact CG-CD 4.45Å; P208-K470 VanDerWaalsContact CG-CE 3.46Å; P208-K470 VanDerWaalsContact CG-NZ 3.34Å; K470-I545 CarbonylContact C-O 3.59Å; K470-I545 WeakPolarHBondContact CA-O 3.34Å; K470-Q580 HydrophobicContact CB-CB 4.26Å; K470-Q580 WeakPolarHBondContact CB-O 3.39Å; K470-Q580 PolarHBondContact N-O 2.97Å; K470-Q580 CarbonylContact O-C 3.45Å; K470-Q580 WeakPolarHBondContact O-CA 3.45Å; K470-Q580 PolarHBondContact O-N 3.35Å
471	F	81	Confident	71.3	Confident	1 Å²	1	42 Å²	42	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.5	174.5	-60.7	-93.7	0	0	0	107.9	L469 H544 I545 F547 I566 N567 M570 M578 P579	L469-F471 HydrophobicContact CB-CE2 3.9Å; F471-H544 CarbonylContact O-C 3.58Å; F471-H544 WeakPolarHBondContact O-CA 3.39Å; F471-I545 PolarHBondContact N-O 2.84Å; F471-I545 PolarHBondContact O-N 3.01Å; F471-F547 AromaticContact CD2-CD2 3.91Å; F471-F547 HydrophobicContact CD2-CD2 3.91Å; F471-F547 AromaticContact CD2-CE2 3.68Å; F471-F547 HydrophobicContact CD2-CE2 3.68Å; F471-F547 AromaticContact CE2-CD2 3.77Å; F471-F547 HydrophobicContact CE2-CD2 3.77Å; F471-F547 AromaticContact CE2-CE2 3.71Å; F471-F547 HydrophobicContact CE2-CE2 3.71Å; F471-I566 HydrophobicContact CE2-CG2 3.72Å; F471-I566 HydrophobicContact CZ-CG2 3.75Å; F471-N567 WeakPolarHBondContact CE1-OD1 3.37Å; F471-N567 WeakPolarHBondContact CZ-OD1 3.47Å; F471-M570 HydrophobicContact CB-CE 3.55Å; F471-M570 HydrophobicContact CD1-CB 3.89Å; F471-M570 HydrophobicContact CD1-CE 3.87Å; F471-M570 HydrophobicContact CD1-CG 4.03Å; F471-M570 HydrophobicContact CD2-CE 3.68Å; F471-M570 HydrophobicContact CE1-CB 3.69Å; F471-M570 HydrophobicContact CE1-CE 4.49Å; F471-M570 HydrophobicContact CE1-CG 3.8Å; F471-M570 HydrophobicContact CE2-CE 4.32Å; F471-M570 HydrophobicContact CE2-CG 4.32Å; F471-M570 HydrophobicContact CG-CE 3.42Å; F471-M570 VanDerWaalsContact CG-CE 3.42Å; F471-M570 HydrophobicContact CG-CG 4.39Å; F471-M570 HydrophobicContact CZ-CB 4.33Å; F471-M570 HydrophobicContact CZ-CG 3.96Å; F471-M578 WeakPolarHBondContact CA-O 3.47Å; F471-P579 HydrophobicContact CD1-CB 3.86Å; F471-P579 HydrophobicContact CE1-CB 3.7Å
472	T	82	Confident	73.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.5	169	-61.6	0	0	0	0	108.2	V526 L542 A543 H544 C577 M578	T472-V526 HydrophobicContact CG2-CG1 4.18Å; T472-V526 HydrophobicContact CG2-CG2 3.85Å; T472-L542 HydrophobicContact CG2-CB 4.21Å; T472-L542 HydrophobicContact CG2-CD2 4.25Å; T472-A543 WeakPolarHBondContact CA-O 3.23Å; T472-H544 VanDerWaalsContact CG2-CE1 3.42Å; T472-H544 WeakPolarHBondContact CG2-CE1 3.2Å; T472-H544 VanDerWaalsContact CG2-ND1 3.26Å; T472-H544 WeakPolarHBondContact CG2-ND1 2.85Å; T472-H544 PolarHBondContact OG1-ND1 2.99Å; T472-C577 CarbonylContact O-C 3.51Å; T472-C577 WeakPolarHBondContact O-CA 3.26Å; T472-M578 PolarHBondContact N-O 3.42Å; T472-M578 PolarHBondContact O-N 3.14Å
473	M	85.2	Confident	75.9	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.4	172.2	67.5	170.9	-68	0	0	111.1	R481 A485 L542 A543 I545 I574 T576 C577	M473-R481 HydrophobicContact CE-CB 4.36Å; M473-A485 HydrophobicContact CE-CB 3.72Å; M473-A485 HydrophobicContact SD-CB 3.42Å; M473-A485 WeakPolarHBondContact SD-CB 3.36Å; M473-L542 WeakPolarHBondContact O-CA 3.3Å; M473-A543 HydrophobicContact CG-CB 3.92Å; M473-A543 PolarHBondContact N-O 3.47Å; M473-A543 PolarHBondContact O-N 3.48Å; M473-I545 HydrophobicContact CG-CD1 4.28Å; M473-I545 HydrophobicContact SD-CD1 4.14Å; M473-I574 HydrophobicContact CB-CG2 4.37Å; M473-I574 HydrophobicContact CE-CG2 4.01Å; M473-I574 HydrophobicContact SD-CG2 4.14Å; M473-T576 WeakPolarHBondContact CA-O 3.11Å; M473-C577 HydrophobicContact CB-CB 4.17Å
474	E	82.5	Confident	78	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.2	171.1	-165.3	173.5	98.4	0	0	109.7	V526 G527 L528 L540 L541 L542 T576	E474-V526 HydrophobicContact CB-CG1 3.97Å; E474-G527 WeakPolarHBondContact OE2-CA 3.27Å; E474-L528 HydrophobicContact CG-CD1 4.37Å; E474-L528 WeakPolarHBondContact OE1-CB 3.38Å; E474-L528 WeakPolarHBondContact OE1-CD1 3.37Å; E474-L528 VanDerWaalsContact OE1-CG 3.31Å; E474-L528 WeakPolarHBondContact OE1-CG 3.25Å; E474-L528 PolarHBondContact OE1-N 3.33Å; E474-L540 HydrophobicContact CG-CB 3.97Å; E474-L540 HydrophobicContact CG-CD1 4.18Å; E474-L540 WeakPolarHBondContact OE1-CD1 3.34Å; E474-L541 WeakPolarHBondContact CA-O 3.41Å; E474-L542 HydrophobicContact CB-CD2 4.03Å; E474-L542 HydrophobicContact CG-CD2 4.15Å; E474-T576 PolarHBondContact O-OG1 3.01Å
475	T	83.8	Confident	80.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.9	179.1	-171.6	0	0	0	0	111.8	L479 F482 L541	T475-L479 HydrophobicContact CG2-CD2 3.93Å; T475-F482 HydrophobicContact CG2-CB 4.22Å; T475-F482 WeakPolarHBondContact OG1-CB 3.48Å; T475-F482 PolarHBondContact OG1-N 2.88Å; T475-L541 HydrophobicContact CG2-CB 3.53Å; T475-L541 HydrophobicContact CG2-CD1 4.42Å; T475-L541 PolarHBondContact N-O 2.98Å; T475-L541 PolarHBondContact O-N 3.36Å
476	D	81.8	Confident	82.3	Confident	26 Å²	26	27.9 Å²	27.9	14%	0.139	14%	0.139	C	C	.	.			trans	-69.3	156	172.7	57.5	-74.7	0	0	0	111.8	E478 L479 N480 R481	D476-E478 PolarHBondContact O-N 3.31Å; D476-E478 VanDerWaalsContact O-N 3.14Å; D476-E478 WeakPolarHBondContact OD2-CA 3.37Å; D476-E478 WeakPolarHBondContact OD2-CB 2.82Å; D476-E478 PolarHBondContact OD2-N 3.32Å; D476-L479 WeakPolarHBondContact O-CA 3.48Å; D476-L479 PolarHBondContact O-N 3.47Å; D476-L479 PolarHBondContact OD2-N 3.29Å; D476-L479 VanDerWaalsContact OD2-N 3.14Å; D476-N480 PolarHBondContact OD1-N 3.47Å; D476-N480 PolarHBondContact OD2-N 3.48Å; D476-N480 PolarHBondContact OD2-ND2 3.15Å; D476-R481 WeakPolarHBondContact OD1-CB 3.12Å; D476-R481 WeakPolarHBondContact OD1-CG 3.45Å; D476-R481 PolarHBondContact OD1-N 2.79Å
477	P	81.1	Confident	83.9	Confident	59 Å²	59	29.7 Å²	29.7	38%	0.383	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.4	176.6	-25.2	34.9	0	0	0	114.7	L479	P477-L479 VanDerWaalsContact C-N 3.32Å
478	E	85.6	Confident	85.2	Confident	91 Å²	91	30.2 Å²	30.2	43%	0.425	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.4	176.8	-60.2	-59	137.1	0	0	112.5	K294 D476 N480	K294-E478 IonicContact NZ-OE1 3.93Å; K294-E478 PolarHBondContact NZ-OE1 2.99Å; K294-E478 IonicContact NZ-OE2 2.72Å; K294-E478 PolarHBondContact NZ-OE2 3.17Å; D476-E478 PolarHBondContact O-N 3.31Å; D476-E478 VanDerWaalsContact O-N 3.14Å; D476-E478 WeakPolarHBondContact OD2-CA 3.37Å; D476-E478 WeakPolarHBondContact OD2-CB 2.82Å; D476-E478 PolarHBondContact OD2-N 3.32Å; E478-N480 WeakPolarHBondContact CB-ND2 3.42Å; E478-N480 PolarHBondContact O-N 3.39Å; E478-N480 VanDerWaalsContact O-N 3.13Å
479	L	88.5	Confident	86.2	Confident	10 Å²	10	30 Å²	30	5%	0.052	15%	0.151	C	C	.	.			trans	60.6	14.9	176.2	-56.4	172.9	0	0	0	115.4	L293 K294 I297 T475 D476 P477 R481 F482 T483 F514 L541	L293-L479 HydrophobicContact CB-CD1 4.08Å; L293-L479 HydrophobicContact CD2-CD1 3.93Å; L293-L479 HydrophobicContact CG-CD1 3.79Å; K294-L479 HydrophobicContact CB-CD1 4.32Å; I297-L479 HydrophobicContact CD1-CD1 4.03Å; I297-L479 HydrophobicContact CD1-CD2 3.92Å; T475-L479 HydrophobicContact CG2-CD2 3.93Å; D476-L479 WeakPolarHBondContact O-CA 3.48Å; D476-L479 PolarHBondContact O-N 3.47Å; D476-L479 PolarHBondContact OD2-N 3.29Å; D476-L479 VanDerWaalsContact OD2-N 3.14Å; P477-L479 VanDerWaalsContact C-N 3.32Å; L479-R481 PolarHBondContact O-N 3.35Å; L479-F482 HydrophobicContact CB-CB 4.35Å; L479-F482 HydrophobicContact CD2-CB 4.4Å; L479-F482 WeakPolarHBondContact O-CB 3.43Å; L479-F482 PolarHBondContact O-N 2.7Å; L479-T483 PolarHBondContact O-N 2.96Å; L479-T483 PolarHBondContact O-OG1 2.95Å; L479-F514 HydrophobicContact CD2-CE1 4.37Å; L479-L541 HydrophobicContact CD2-CD1 3.91Å
480	N	87.2	Confident	87	Confident	76 Å²	76	30 Å²	30	41%	0.406	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-45	-177.7	-65.5	-73.8	0	0	0	111.9	I288 D476 E478 T483 L484	I288-N480 VanDerWaalsContact CD1-OD1 3.23Å; I288-N480 WeakPolarHBondContact CD1-OD1 3.23Å; D476-N480 PolarHBondContact OD1-N 3.47Å; D476-N480 PolarHBondContact OD2-N 3.48Å; D476-N480 PolarHBondContact OD2-ND2 3.15Å; E478-N480 WeakPolarHBondContact CB-ND2 3.42Å; E478-N480 PolarHBondContact O-N 3.39Å; E478-N480 VanDerWaalsContact O-N 3.13Å; N480-T483 PolarHBondContact O-N 3.17Å; N480-L484 WeakPolarHBondContact O-CG 3.46Å; N480-L484 PolarHBondContact O-N 3.38Å
481	R	85.9	Confident	87.7	Confident	111 Å²	111	33.7 Å²	33.7	42%	0.419	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-38.7	177.8	-72.2	-170.9	176.5	120.4	-5.9	112.2	M473 D476 L479 L484 A485	M473-R481 HydrophobicContact CE-CB 4.36Å; D476-R481 WeakPolarHBondContact OD1-CB 3.12Å; D476-R481 WeakPolarHBondContact OD1-CG 3.45Å; D476-R481 PolarHBondContact OD1-N 2.79Å; L479-R481 PolarHBondContact O-N 3.35Å; R481-L484 PolarHBondContact O-N 2.76Å; R481-A485 WeakPolarHBondContact O-CB 2.64Å; R481-A485 PolarHBondContact O-N 2.83Å
482	F	90.5	Very high	88.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-48.7	175.1	175	-99.8	0	0	0	110.9	L286 L293 I305 T475 L479 L484 A485 I486 I512 F514 A543	L286-F482 HydrophobicContact CD2-CE1 4.3Å; L293-F482 HydrophobicContact CD2-CD1 3.94Å; L293-F482 HydrophobicContact CD2-CE1 3.49Å; L293-F482 VanDerWaalsContact CD2-CE1 3.49Å; L293-F482 HydrophobicContact CD2-CZ 4.31Å; I305-F482 HydrophobicContact CD1-CZ 4.41Å; T475-F482 HydrophobicContact CG2-CB 4.22Å; T475-F482 WeakPolarHBondContact OG1-CB 3.48Å; T475-F482 PolarHBondContact OG1-N 2.88Å; L479-F482 HydrophobicContact CB-CB 4.35Å; L479-F482 HydrophobicContact CD2-CB 4.4Å; L479-F482 WeakPolarHBondContact O-CB 3.43Å; L479-F482 PolarHBondContact O-N 2.7Å; F482-L484 PolarHBondContact O-N 3.13Å; F482-A485 WeakPolarHBondContact O-CB 3.13Å; F482-A485 PolarHBondContact O-N 3.25Å; F482-A485 VanDerWaalsContact O-N 3.1Å; F482-I486 HydrophobicContact CD1-CG1 4.18Å; F482-I486 HydrophobicContact CD2-CD1 4.46Å; F482-I486 HydrophobicContact CD2-CG1 4.22Å; F482-I486 HydrophobicContact CE1-CD1 4.4Å; F482-I486 HydrophobicContact CE1-CG1 3.65Å; F482-I486 HydrophobicContact CE2-CD1 3.67Å; F482-I486 HydrophobicContact CE2-CG1 3.7Å; F482-I486 HydrophobicContact CG-CG1 4.43Å; F482-I486 HydrophobicContact CZ-CD1 3.63Å; F482-I486 HydrophobicContact CZ-CG1 3.39Å; F482-I486 WeakPolarHBondContact O-CG1 3.48Å; F482-I486 PolarHBondContact O-N 3.34Å; F482-I512 HydrophobicContact CE2-CD1 4.04Å; F482-I512 HydrophobicContact CE2-CG2 3.96Å; F482-I512 HydrophobicContact CZ-CD1 3.79Å; F482-I512 HydrophobicContact CZ-CG2 4.32Å; F482-F514 HydrophobicContact CD1-CZ 4.31Å; F482-F514 HydrophobicContact CD2-CE1 4Å; F482-F514 AromaticContact CD2-CZ 4Å; F482-F514 HydrophobicContact CD2-CZ 4Å; F482-F514 AromaticContact CE1-CZ 3.92Å; F482-F514 HydrophobicContact CE1-CZ 3.92Å; F482-F514 HydrophobicContact CE2-CE1 4.01Å; F482-F514 AromaticContact CE2-CZ 3.57Å; F482-F514 HydrophobicContact CE2-CZ 3.57Å; F482-F514 HydrophobicContact CG-CE1 4.32Å; F482-F514 HydrophobicContact CG-CZ 4.34Å; F482-F514 HydrophobicContact CZ-CE1 4.35Å; F482-F514 HydrophobicContact CZ-CE2 4.39Å; F482-F514 AromaticContact CZ-CZ 3.53Å; F482-F514 HydrophobicContact CZ-CZ 3.53Å; F482-A543 HydrophobicContact CD2-CB 3.83Å; F482-A543 HydrophobicContact CE2-CB 4.03Å
483	T	91.9	Very high	88.4	Confident	20 Å²	20	34.2 Å²	34.2	12%	0.123	17%	0.174	C	C	.	.	H	α-helix	trans	-57.4	-47.2	178.6	-62.1	0	0	0	0	112	L286 L479 N480 A485 I486 H487	L286-T483 HydrophobicContact CB-CG2 4.16Å; L286-T483 HydrophobicContact CD2-CG2 4.37Å; L479-T483 PolarHBondContact O-N 2.96Å; L479-T483 PolarHBondContact O-OG1 2.95Å; N480-T483 PolarHBondContact O-N 3.17Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.89Å; T483-I486 PolarHBondContact O-N 2.93Å; T483-H487 PolarHBondContact O-CD2 2.66Å; T483-H487 PolarHBondContact O-N 3Å; T483-H487 VanDerWaalsContact O-N 3.08Å
484	L	90.1	Very high	88.5	Confident	119 Å²	119	37.5 Å²	37.5	62%	0.623	19%	0.189	S	C	*	.	H	α-helix	trans	-60.2	-40.3	176.1	-71.3	167.5	0	0	0	112.9	N480 R481 F482 T488	N480-L484 WeakPolarHBondContact O-CG 3.46Å; N480-L484 PolarHBondContact O-N 3.38Å; R481-L484 PolarHBondContact O-N 2.76Å; F482-L484 PolarHBondContact O-N 3.13Å; L484-T488 PolarHBondContact O-N 3.21Å; L484-T488 VanDerWaalsContact O-N 3.15Å; L484-T488 PolarHBondContact O-OG1 3.18Å
485	A	91.2	Very high	88.7	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-40.8	177.3	0	0	0	0	0	111.7	M473 R481 F482 T483 T488 I489 I574	M473-A485 HydrophobicContact CE-CB 3.72Å; M473-A485 HydrophobicContact SD-CB 3.42Å; M473-A485 WeakPolarHBondContact SD-CB 3.36Å; R481-A485 WeakPolarHBondContact O-CB 2.64Å; R481-A485 PolarHBondContact O-N 2.83Å; F482-A485 WeakPolarHBondContact O-CB 3.13Å; F482-A485 PolarHBondContact O-N 3.25Å; F482-A485 VanDerWaalsContact O-N 3.1Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.89Å; A485-T488 WeakPolarHBondContact O-CB 3.44Å; A485-T488 PolarHBondContact O-N 3.13Å; A485-I489 WeakPolarHBondContact O-CD1 3.22Å; A485-I489 VanDerWaalsContact O-CG1 3.31Å; A485-I489 WeakPolarHBondContact O-CG1 3.46Å; A485-I489 PolarHBondContact O-N 3.32Å; A485-I574 HydrophobicContact CB-CD1 3.74Å; A485-I574 HydrophobicContact CB-CG1 4.01Å; A485-I574 HydrophobicContact CB-CG2 4.18Å
486	I	93.3	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-46	177.4	-64.1	-54.8	0	0	0	111.8	W282 L286 F482 T483 T488 I489 L490 I512	W282-I486 HydrophobicContact CE3-CG2 3.94Å; W282-I486 HydrophobicContact CH2-CG2 3.98Å; W282-I486 HydrophobicContact CZ3-CG1 4.48Å; W282-I486 HydrophobicContact CZ3-CG2 3.65Å; L286-I486 HydrophobicContact CD1-CB 4.4Å; L286-I486 HydrophobicContact CD1-CG2 3.8Å; L286-I486 HydrophobicContact CD2-CB 3.97Å; L286-I486 HydrophobicContact CD2-CG1 4.24Å; L286-I486 HydrophobicContact CD2-CG2 3.96Å; L286-I486 HydrophobicContact CG-CG2 4.47Å; F482-I486 HydrophobicContact CD1-CG1 4.18Å; F482-I486 HydrophobicContact CD2-CD1 4.46Å; F482-I486 HydrophobicContact CD2-CG1 4.22Å; F482-I486 HydrophobicContact CE1-CD1 4.4Å; F482-I486 HydrophobicContact CE1-CG1 3.65Å; F482-I486 HydrophobicContact CE2-CD1 3.67Å; F482-I486 HydrophobicContact CE2-CG1 3.7Å; F482-I486 HydrophobicContact CG-CG1 4.43Å; F482-I486 HydrophobicContact CZ-CD1 3.63Å; F482-I486 HydrophobicContact CZ-CG1 3.39Å; F482-I486 WeakPolarHBondContact O-CG1 3.48Å; F482-I486 PolarHBondContact O-N 3.34Å; T483-I486 PolarHBondContact O-N 2.93Å; I486-T488 PolarHBondContact O-N 3.44Å; I486-I489 HydrophobicContact CD1-CD1 4.15Å; I486-I489 PolarHBondContact O-N 3.18Å; I486-L490 HydrophobicContact CG2-CD1 3.89Å; I486-L490 HydrophobicContact CG2-CG 3.95Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.46Å; I486-I512 HydrophobicContact CD1-CD1 3.49Å; I486-I512 VanDerWaalsContact CD1-CD1 3.49Å
487	H	93.2	Very high	88.8	Confident	65 Å²	65	41.3 Å²	41.3	30%	0.301	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-41.1	174.2	-71	-69.1	0	0	0	111.4	E354 T483 I489 L490 D491	E354-H487 IonicContact OE1-CE1 2.65Å; E354-H487 PolarHBondContact OE1-CE1 3.36Å; E354-H487 VanDerWaalsContact OE1-CE1 3.25Å; E354-H487 IonicContact OE1-ND1 2.57Å; E354-H487 PolarHBondContact OE1-ND1 2.89Å; T483-H487 PolarHBondContact O-CD2 2.66Å; T483-H487 PolarHBondContact O-N 3Å; T483-H487 VanDerWaalsContact O-N 3.08Å; H487-I489 VanDerWaalsContact C-N 3.32Å; H487-I489 PolarHBondContact O-N 3.08Å; H487-L490 PolarHBondContact O-N 3.39Å; H487-D491 WeakPolarHBondContact O-CB 3.45Å; H487-D491 VanDerWaalsContact O-CG 3.28Å; H487-D491 PolarHBondContact O-N 3.5Å
488	T	92.6	Very high	88.8	Confident	26 Å²	26	42.4 Å²	42.4	16%	0.16	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-38.3	175.6	-58.3	0	0	0	0	112.7	L484 A485 I486 I492 T569 K573	L484-T488 PolarHBondContact O-N 3.21Å; L484-T488 VanDerWaalsContact O-N 3.15Å; L484-T488 PolarHBondContact O-OG1 3.18Å; A485-T488 WeakPolarHBondContact O-CB 3.44Å; A485-T488 PolarHBondContact O-N 3.13Å; I486-T488 PolarHBondContact O-N 3.44Å; T488-I492 WeakPolarHBondContact O-CD1 3.33Å; T488-I492 VanDerWaalsContact O-CG1 3.31Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 2.92Å; T488-T569 HydrophobicContact CG2-CG2 4Å; T488-K573 HydrophobicContact CG2-CB 3.89Å; T488-K573 HydrophobicContact CG2-CD 3.65Å; T488-K573 HydrophobicContact CG2-CG 4.42Å
489	I	91.5	Very high	88.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-70.9	-47.5	178.3	-71.6	158.7	0	0	0	110.8	A485 I486 H487 D491 I492 L493 L510 I545 F547 M570 I574	A485-I489 WeakPolarHBondContact O-CD1 3.22Å; A485-I489 VanDerWaalsContact O-CG1 3.31Å; A485-I489 WeakPolarHBondContact O-CG1 3.46Å; A485-I489 PolarHBondContact O-N 3.32Å; I486-I489 HydrophobicContact CD1-CD1 4.15Å; I486-I489 PolarHBondContact O-N 3.18Å; H487-I489 VanDerWaalsContact C-N 3.32Å; H487-I489 PolarHBondContact O-N 3.08Å; I489-D491 VanDerWaalsContact C-N 3.26Å; I489-D491 PolarHBondContact O-N 3.1Å; I489-I492 WeakPolarHBondContact O-CB 3.46Å; I489-I492 PolarHBondContact O-N 3.33Å; I489-L493 HydrophobicContact CG2-CD1 3.98Å; I489-L493 HydrophobicContact CG2-CG 4.35Å; I489-L493 WeakPolarHBondContact O-CG 3.46Å; I489-L493 PolarHBondContact O-N 3.24Å; I489-L510 HydrophobicContact CG2-CD2 4.26Å; I489-I545 HydrophobicContact CD1-CD1 3.74Å; I489-I545 HydrophobicContact CD1-CG2 4.33Å; I489-F547 HydrophobicContact CG2-CE1 3.99Å; I489-F547 HydrophobicContact CG2-CZ 3.76Å; I489-M570 HydrophobicContact CD1-CE 3.89Å; I489-M570 HydrophobicContact CD1-SD 3.89Å; I489-M570 HydrophobicContact CG1-CE 4.2Å; I489-M570 HydrophobicContact CG1-SD 3.57Å; I489-M570 VanDerWaalsContact CG1-SD 3.57Å; I489-I574 HydrophobicContact CD1-CD1 4.41Å; I489-I574 HydrophobicContact CG1-CD1 4.42Å
490	L	91.5	Very high	87.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-40.1	177.4	-65.1	-177.7	0	0	0	110.9	W282 Y307 I353 I486 H487 I492 L493 H494 L510	W282-L490 HydrophobicContact CD2-CD1 4.24Å; W282-L490 HydrophobicContact CG-CD1 4.13Å; Y307-L490 HydrophobicContact CE1-CD2 4.24Å; I353-L490 HydrophobicContact CD1-CB 4.05Å; I353-L490 HydrophobicContact CD1-CD2 3.94Å; I353-L490 WeakPolarHBondContact CD1-O 3.48Å; I353-L490 HydrophobicContact CG1-CD2 4.15Å; I353-L490 HydrophobicContact CG2-CB 4.24Å; I486-L490 HydrophobicContact CG2-CD1 3.89Å; I486-L490 HydrophobicContact CG2-CG 3.95Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.46Å; H487-L490 PolarHBondContact O-N 3.39Å; L490-I492 VanDerWaalsContact C-N 3.33Å; L490-I492 PolarHBondContact O-N 3.07Å; L490-L493 HydrophobicContact CD2-CD1 4.4Å; L490-L493 PolarHBondContact O-N 2.95Å; L490-H494 VanDerWaalsContact O-CB 3.32Å; L490-H494 WeakPolarHBondContact O-CB 3.4Å; L490-H494 PolarHBondContact O-N 2.94Å; L490-L510 HydrophobicContact CD2-CD2 4.45Å
491	D	90.8	Very high	86.6	Confident	89 Å²	89	52.5 Å²	52.5	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-39.9	173.6	-78.8	-13.3	0	0	0	113.2	H487 I489 K495	H487-D491 WeakPolarHBondContact O-CB 3.45Å; H487-D491 VanDerWaalsContact O-CG 3.28Å; H487-D491 PolarHBondContact O-N 3.5Å; I489-D491 VanDerWaalsContact C-N 3.26Å; I489-D491 PolarHBondContact O-N 3.1Å; D491-K495 VanDerWaalsContact O-CG 3.3Å; D491-K495 WeakPolarHBondContact O-CG 3.35Å; D491-K495 PolarHBondContact O-N 2.72Å; D491-K495 VanDerWaalsContact O-N 3.1Å
492	I	89.7	Confident	86	Confident	10 Å²	10	50 Å²	50	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-44.7	178.1	-62.1	157.1	0	0	0	110	T488 I489 L490 H494 K495 L496 I566 T569	T488-I492 WeakPolarHBondContact O-CD1 3.33Å; T488-I492 VanDerWaalsContact O-CG1 3.31Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 2.92Å; I489-I492 WeakPolarHBondContact O-CB 3.46Å; I489-I492 PolarHBondContact O-N 3.33Å; L490-I492 VanDerWaalsContact C-N 3.33Å; L490-I492 PolarHBondContact O-N 3.07Å; I492-H494 VanDerWaalsContact C-N 3.29Å; I492-H494 PolarHBondContact O-N 3.21Å; I492-K495 WeakPolarHBondContact O-CB 3.44Å; I492-K495 PolarHBondContact O-N 3.19Å; I492-K495 VanDerWaalsContact O-N 3.15Å; I492-L496 HydrophobicContact CG2-CD1 4.04Å; I492-L496 HydrophobicContact CG2-CG 4.36Å; I492-L496 WeakPolarHBondContact O-CG 3.5Å; I492-L496 PolarHBondContact O-N 3.49Å; I492-I566 HydrophobicContact CG2-CG1 3.95Å; I492-T569 VanDerWaalsContact CD1-CB 3.41Å; I492-T569 HydrophobicContact CD1-CG2 3.36Å; I492-T569 HydrophobicContact CG1-CG2 3.75Å
493	L	87.6	Confident	85.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-42.2	178.9	-66	174.9	0	0	0	110.9	Y307 I353 I489 L490 K495 L496 A497 L508 L510 F547	Y307-L493 HydrophobicContact CE1-CD1 4.44Å; I353-L493 HydrophobicContact CD1-CB 4.15Å; I489-L493 HydrophobicContact CG2-CD1 3.98Å; I489-L493 HydrophobicContact CG2-CG 4.35Å; I489-L493 WeakPolarHBondContact O-CG 3.46Å; I489-L493 PolarHBondContact O-N 3.24Å; L490-L493 HydrophobicContact CD2-CD1 4.4Å; L490-L493 PolarHBondContact O-N 2.95Å; L493-K495 VanDerWaalsContact C-N 3.31Å; L493-K495 PolarHBondContact O-N 2.76Å; L493-L496 PolarHBondContact O-N 2.88Å; L493-A497 WeakPolarHBondContact O-CB 3.36Å; L493-A497 PolarHBondContact O-N 2.75Å; L493-L508 HydrophobicContact CB-CD2 4.45Å; L493-L508 WeakPolarHBondContact CD1-O 3.37Å; L493-L508 HydrophobicContact CD2-CB 4.47Å; L493-L508 HydrophobicContact CD2-CD2 3.81Å; L493-L510 HydrophobicContact CD1-CD2 3.81Å; L493-F547 HydrophobicContact CD1-CE1 4.46Å; L493-F547 HydrophobicContact CD2-CD1 4.43Å; L493-F547 HydrophobicContact CD2-CE1 4.09Å
494	H	87.5	Confident	84.3	Confident	70 Å²	70	51.2 Å²	51.2	32%	0.324	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-36	175.3	-169.9	-84.5	0	0	0	112.4	I353 L490 I492 N498	I353-H494 HydrophobicContact CD1-CB 4.35Å; L490-H494 VanDerWaalsContact O-CB 3.32Å; L490-H494 WeakPolarHBondContact O-CB 3.4Å; L490-H494 PolarHBondContact O-N 2.94Å; I492-H494 VanDerWaalsContact C-N 3.29Å; I492-H494 PolarHBondContact O-N 3.21Å; H494-N498 PolarHBondContact CE1-ND2 3.43Å; H494-N498 PolarHBondContact ND1-ND2 3.19Å; H494-N498 PolarHBondContact NE2-ND2 2.64Å; H494-N498 VanDerWaalsContact NE2-ND2 3.19Å; H494-N498 WeakPolarHBondContact O-CB 3.25Å; H494-N498 PolarHBondContact O-N 2.97Å; H494-N498 VanDerWaalsContact O-N 3.16Å; H494-N498 PolarHBondContact O-ND2 3.01Å
495	K	86.7	Confident	83.3	Confident	105 Å²	105	45.7 Å²	45.7	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-68.7	-48	173.7	-74.4	172.2	-175.7	-178.9	0	112.2	D491 I492 L493 A497 N498 D499	D491-K495 VanDerWaalsContact O-CG 3.3Å; D491-K495 WeakPolarHBondContact O-CG 3.35Å; D491-K495 PolarHBondContact O-N 2.72Å; D491-K495 VanDerWaalsContact O-N 3.1Å; I492-K495 WeakPolarHBondContact O-CB 3.44Å; I492-K495 PolarHBondContact O-N 3.19Å; I492-K495 VanDerWaalsContact O-N 3.15Å; L493-K495 VanDerWaalsContact C-N 3.31Å; L493-K495 PolarHBondContact O-N 2.76Å; K495-A497 PolarHBondContact O-N 2.79Å; K495-A497 VanDerWaalsContact O-N 3.13Å; K495-N498 PolarHBondContact O-N 2.76Å; K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 2.92Å
496	L	84.5	Confident	82.2	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-32.2	177.2	-72	170.6	0	0	0	112.2	I492 L493 P502 N503 L508 A562 Q565 I566	I492-L496 HydrophobicContact CG2-CD1 4.04Å; I492-L496 HydrophobicContact CG2-CG 4.36Å; I492-L496 WeakPolarHBondContact O-CG 3.5Å; I492-L496 PolarHBondContact O-N 3.49Å; L493-L496 PolarHBondContact O-N 2.88Å; L496-P502 WeakPolarHBondContact O-CA 3.12Å; L496-N503 HydrophobicContact CD2-CB 4.13Å; L496-N503 PolarHBondContact O-N 2.93Å; L496-L508 HydrophobicContact CB-CD2 3.95Å; L496-L508 HydrophobicContact CD1-CD2 4.35Å; L496-A562 HydrophobicContact CD2-CB 4.14Å; L496-Q565 VanDerWaalsContact CD2-OE1 3.28Å; L496-I566 HydrophobicContact CD1-CD1 4.06Å; L496-I566 HydrophobicContact CD1-CG1 4.14Å
497	A	83.2	Confident	81.1	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-79	-29.7	176.9	0	0	0	0	0	115	Y310 W351 L493 K495 L508	Y310-A497 WeakPolarHBondContact OH-CB 3.29Å; W351-A497 HydrophobicContact CH2-CB 3.93Å; W351-A497 HydrophobicContact CZ3-CB 3.52Å; L493-A497 WeakPolarHBondContact O-CB 3.36Å; L493-A497 PolarHBondContact O-N 2.75Å; K495-A497 PolarHBondContact O-N 2.79Å; K495-A497 VanDerWaalsContact O-N 3.13Å; A497-L508 HydrophobicContact CB-CD1 3.93Å
498	N	81.8	Confident	80.2	Confident	82 Å²	82	42.7 Å²	42.7	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-119.5	1.3	-168.7	-67.7	-59.2	0	0	0	114.8	H494 K495	H494-N498 PolarHBondContact CE1-ND2 3.43Å; H494-N498 PolarHBondContact ND1-ND2 3.19Å; H494-N498 PolarHBondContact NE2-ND2 2.64Å; H494-N498 VanDerWaalsContact NE2-ND2 3.19Å; H494-N498 WeakPolarHBondContact O-CB 3.25Å; H494-N498 PolarHBondContact O-N 2.97Å; H494-N498 VanDerWaalsContact O-N 3.16Å; H494-N498 PolarHBondContact O-ND2 3.01Å; K495-N498 PolarHBondContact O-N 2.76Å
499	D	76.1	Confident	79.5	Confident	75 Å²	75	41.6 Å²	41.6	40%	0.401	22%	0.217	S	C	.	.	S	Bend	trans	-62.3	160.3	171.1	-80.1	-11.5	0	0	0	110.6	K495 L501 P502	K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 2.92Å; D499-L501 CarbonylContact O-C 3.59Å; D499-L501 PolarHBondContact O-N 3.47Å; D499-P502 WeakPolarHBondContact O-CD 3.46Å
500	D	69	Low	79.1	Confident	174 Å²	174	41.6 Å²	41.6	93%	0.93	22%	0.217	S	C	*	.	S	Bend	trans	-52.4	-27.9	-177.4	-67.1	-34.2	0	0	0	113.4
501	L	70.7	Confident	78.6	Confident	141 Å²	141	42.1 Å²	42.1	74%	0.738	22%	0.219	S	C	*	.	S	Bend	trans	-123	101.5	166.3	-123.9	95	0	0	0	108.7	D499 N503	D499-L501 CarbonylContact O-C 3.59Å; D499-L501 PolarHBondContact O-N 3.47Å; L501-N503 PolarHBondContact O-N 3.1Å
502	P	72.9	Confident	78.5	Confident	59 Å²	59	37.9 Å²	37.9	38%	0.383	20%	0.196	S	C	.	.			trans	-57.2	133.6	177	-25	33.8	0	0	0	111.2	L496 D499 Y504	L496-P502 WeakPolarHBondContact O-CA 3.12Å; D499-P502 WeakPolarHBondContact O-CD 3.46Å; P502-Y504 HydrophobicContact CB-CD2 4.27Å; P502-Y504 HydrophobicContact CB-CE1 4.33Å; P502-Y504 HydrophobicContact CB-CE2 3.54Å
503	N	73.4	Confident	78.3	Confident	16 Å²	16	37.4 Å²	37.4	9%	0.086	19%	0.194	C	C	.	.			trans	-113	90.4	-177.6	-170.7	-16.6	0	0	0	111.1	L496 L501 S505 L558	L496-N503 HydrophobicContact CD2-CB 4.13Å; L496-N503 PolarHBondContact O-N 2.93Å; L501-N503 PolarHBondContact O-N 3.1Å; N503-S505 VanDerWaalsContact C-N 3.29Å; N503-S505 PolarHBondContact O-N 3.26Å; N503-S505 VanDerWaalsContact OD1-CB 3.24Å; N503-S505 WeakPolarHBondContact OD1-CB 3.49Å; N503-S505 PolarHBondContact OD1-N 3.16Å; N503-S505 VanDerWaalsContact OD1-N 3.14Å; N503-S505 PolarHBondContact OD1-OG 2.77Å; N503-L558 PolarHBondContact ND2-O 3.13Å
504	Y	73.6	Confident	78.3	Confident	29 Å²	29	37.3 Å²	37.3	11%	0.114	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	19.1	176.9	-54.2	-59.3	0	0	0	113.7	Y310 P424 T427 P502 V506 L508 L550	Y310-Y504 WeakPolarHBondContact OH-CE1 3.38Å; P424-Y504 HydrophobicContact CB-CD2 4.04Å; P424-Y504 WeakPolarHBondContact O-CD2 3.34Å; P424-Y504 WeakPolarHBondContact O-CE2 3.24Å; T427-Y504 HydrophobicContact CG2-CD1 3.75Å; T427-Y504 HydrophobicContact CG2-CE1 4.23Å; T427-Y504 HydrophobicContact CG2-CG 3.93Å; P502-Y504 HydrophobicContact CB-CD2 4.27Å; P502-Y504 HydrophobicContact CB-CE1 4.33Å; P502-Y504 HydrophobicContact CB-CE2 3.54Å; Y504-V506 PolarHBondContact O-N 3.04Å; Y504-L508 HydrophobicContact CD1-CD1 3.79Å; Y504-L508 HydrophobicContact CD1-CG 4.44Å; Y504-L508 HydrophobicContact CE1-CD1 3.8Å; Y504-L550 VanDerWaalsContact O-CD1 3.25Å; Y504-L550 WeakPolarHBondContact O-CD1 3.2Å
505	S	68.4	Low	78.2	Confident	3 Å²	3	34 Å²	34	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.5	177.6	63.8	0	0	0	0	113.5	N503 L550 L558 W559 A562	N503-S505 VanDerWaalsContact C-N 3.29Å; N503-S505 PolarHBondContact O-N 3.26Å; N503-S505 VanDerWaalsContact OD1-CB 3.24Å; N503-S505 WeakPolarHBondContact OD1-CB 3.49Å; N503-S505 PolarHBondContact OD1-N 3.16Å; N503-S505 VanDerWaalsContact OD1-N 3.14Å; N503-S505 PolarHBondContact OD1-OG 2.77Å; S505-L550 PolarHBondContact O-N 3.28Å; S505-L558 PolarHBondContact OG-O 3.42Å; S505-W559 VanDerWaalsContact OG-CA 3.26Å; S505-W559 WeakPolarHBondContact OG-CA 3.16Å; S505-W559 PolarHBondContact OG-N 3.26Å; S505-A562 WeakPolarHBondContact OG-CB 2.88Å
506	V	68.1	Low	77.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-107.5	134.7	170.4	-175.3	0	0	0	0	107	Y504 L508 F547 W559 A562 I566	Y504-V506 PolarHBondContact O-N 3.04Å; V506-L508 PolarHBondContact O-N 3.45Å; V506-L508 VanDerWaalsContact O-N 3.12Å; V506-F547 HydrophobicContact CG1-CB 3.82Å; V506-W559 HydrophobicContact CB-CZ3 4.36Å; V506-W559 HydrophobicContact CG1-CZ3 4.46Å; V506-W559 HydrophobicContact CG2-CE3 3.73Å; V506-W559 HydrophobicContact CG2-CZ3 3.62Å; V506-A562 HydrophobicContact CG2-CB 3.51Å; V506-I566 HydrophobicContact CB-CD1 4.45Å; V506-I566 HydrophobicContact CG1-CD1 4.07Å; V506-I566 HydrophobicContact CG2-CD1 4.15Å
507	N	69.4	Low	77.6	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.16	C	C	.	.			trans	-60.4	119.3	168.5	-174	-4.8	0	0	0	107.1	L409 G509 M548 L550	L409-N507 HydrophobicContact CD1-CB 3.98Å; L409-N507 WeakPolarHBondContact CD1-ND2 3.38Å; L409-N507 WeakPolarHBondContact CD2-ND2 3.29Å; L409-N507 WeakPolarHBondContact CG-ND2 3.26Å; N507-G509 PolarHBondContact O-N 2.81Å; N507-G509 PolarHBondContact OD1-N 2.82Å; N507-M548 HydrophobicContact CB-CB 4.14Å; N507-M548 WeakPolarHBondContact CB-O 3.22Å; N507-M548 PolarHBondContact N-O 2.88Å; N507-L550 HydrophobicContact CB-CD1 4.01Å; N507-L550 HydrophobicContact CB-CD2 3.76Å; N507-L550 HydrophobicContact CB-CG 3.81Å
508	L	75.1	Confident	77.1	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-69	-10.4	178.3	-63.9	177.1	0	0	0	112.1	P309 Y310 L493 L496 A497 Y504 V506	P309-L508 HydrophobicContact CG-CB 3.59Å; Y310-L508 HydrophobicContact CE2-CD1 3.95Å; Y310-L508 WeakPolarHBondContact OH-CD1 3.45Å; L493-L508 HydrophobicContact CB-CD2 4.45Å; L493-L508 WeakPolarHBondContact CD1-O 3.37Å; L493-L508 HydrophobicContact CD2-CB 4.47Å; L493-L508 HydrophobicContact CD2-CD2 3.81Å; L496-L508 HydrophobicContact CB-CD2 3.95Å; L496-L508 HydrophobicContact CD1-CD2 4.35Å; A497-L508 HydrophobicContact CB-CD1 3.93Å; Y504-L508 HydrophobicContact CD1-CD1 3.79Å; Y504-L508 HydrophobicContact CD1-CG 4.44Å; Y504-L508 HydrophobicContact CE1-CD1 3.8Å; V506-L508 PolarHBondContact O-N 3.45Å; V506-L508 VanDerWaalsContact O-N 3.12Å
509	G	78.5	Confident	76.4	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.031	15%	0.149	C	C	.	.			trans	-70	158.4	164.8	0	0	0	0	0	113.1	Y307 N507	Y307-G509 CarbonylContact O-C 3.6Å; Y307-G509 WeakPolarHBondContact O-CA 3.36Å; N507-G509 PolarHBondContact O-N 2.81Å; N507-G509 PolarHBondContact OD1-N 2.82Å
510	L	81.9	Confident	75.8	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.7	-178.9	62.8	94.6	0	0	0	111.5	W282 Y307 I489 L490 L493 I512 F547	W282-L510 HydrophobicContact CH2-CD1 4.14Å; W282-L510 HydrophobicContact CZ2-CD1 3.95Å; W282-L510 HydrophobicContact CZ2-CD2 4.23Å; W282-L510 HydrophobicContact CZ2-CG 4.47Å; Y307-L510 HydrophobicContact CD1-CD2 3.48Å; Y307-L510 VanDerWaalsContact CD1-CD2 3.48Å; Y307-L510 HydrophobicContact CD1-CG 3.65Å; Y307-L510 HydrophobicContact CE1-CD2 4.12Å; Y307-L510 HydrophobicContact CG-CD2 4.36Å; Y307-L510 HydrophobicContact CG-CG 4.22Å; Y307-L510 PolarHBondContact N-O 2.92Å; Y307-L510 PolarHBondContact O-N 2.82Å; I489-L510 HydrophobicContact CG2-CD2 4.26Å; L490-L510 HydrophobicContact CD2-CD2 4.45Å; L493-L510 HydrophobicContact CD1-CD2 3.81Å; L510-I512 HydrophobicContact CD1-CD1 3.46Å; L510-I512 VanDerWaalsContact CD1-CD1 3.46Å; L510-I512 HydrophobicContact CD1-CG1 3.39Å; L510-F547 HydrophobicContact CB-CD1 4.47Å; L510-F547 HydrophobicContact CB-CE1 4.35Å
511	R	82.4	Confident	75.3	Confident	12 Å²	12	16 Å²	16	5%	0.045	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	170.7	178.1	-169.9	-179.1	-142.7	17.7	108.9	D191 E304 I305 L408 Q513 I545 T546	D191-R511 IonicContact OD1-CZ 3.26Å; D191-R511 VanDerWaalsContact OD1-CZ 3.27Å; D191-R511 IonicContact OD1-NH1 3.79Å; D191-R511 PolarHBondContact OD1-NH1 3.04Å; D191-R511 IonicContact OD1-NH2 3.21Å; D191-R511 PolarHBondContact OD1-NH2 3.44Å; D191-R511 IonicContact OD2-CZ 2.7Å; D191-R511 IonicContact OD2-NH1 2.7Å; D191-R511 PolarHBondContact OD2-NH1 3.1Å; E304-R511 HydrophobicContact CG-CG 4.14Å; E304-R511 IonicContact OE1-CZ 3.28Å; E304-R511 IonicContact OE1-NE 3.52Å; E304-R511 PolarHBondContact OE1-NE 3.16Å; E304-R511 IonicContact OE1-NH2 3.74Å; E304-R511 PolarHBondContact OE1-NH2 2.96Å; I305-R511 CarbonylContact O-C 3.59Å; I305-R511 VanDerWaalsContact O-CA 3.29Å; I305-R511 WeakPolarHBondContact O-CA 3.26Å; L408-R511 HydrophobicContact CD1-CB 3.86Å; L408-R511 HydrophobicContact CD1-CG 3.74Å; L408-R511 HydrophobicContact CD2-CB 4.18Å; R511-Q513 VanDerWaalsContact CZ-CD 3.47Å; R511-I545 CarbonylContact O-C 3.47Å; R511-I545 WeakPolarHBondContact O-CA 3.5Å; R511-T546 PolarHBondContact N-O 2.91Å; R511-T546 PolarHBondContact O-N 3.44Å
512	I	87	Confident	74.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132	174.9	-48.2	173.7	0	0	0	109.2	W282 E304 I305 F482 I486 L510 F514 A543 H544 I545	W282-I512 HydrophobicContact CH2-CD1 3.97Å; E304-I512 CarbonylContact C-O 3.13Å; E304-I512 VanDerWaalsContact CA-O 3.25Å; E304-I512 WeakPolarHBondContact CA-O 3.49Å; I305-I512 HydrophobicContact CB-CB 4.09Å; I305-I512 HydrophobicContact CB-CG1 4.49Å; I305-I512 HydrophobicContact CD1-CB 4.38Å; I305-I512 HydrophobicContact CD1-CD1 4.29Å; I305-I512 PolarHBondContact N-O 3.37Å; I305-I512 PolarHBondContact O-N 3.25Å; F482-I512 HydrophobicContact CE2-CD1 4.04Å; F482-I512 HydrophobicContact CE2-CG2 3.96Å; F482-I512 HydrophobicContact CZ-CD1 3.79Å; F482-I512 HydrophobicContact CZ-CG2 4.32Å; I486-I512 HydrophobicContact CD1-CD1 3.49Å; I486-I512 VanDerWaalsContact CD1-CD1 3.49Å; L510-I512 HydrophobicContact CD1-CD1 3.46Å; L510-I512 VanDerWaalsContact CD1-CD1 3.46Å; L510-I512 HydrophobicContact CD1-CG1 3.39Å; I512-F514 HydrophobicContact CG2-CD2 4.49Å; I512-F514 HydrophobicContact CG2-CE2 3.9Å; I512-F514 HydrophobicContact CG2-CZ 4.06Å; I512-A543 HydrophobicContact CG2-CB 4.33Å; I512-H544 CarbonylContact C-O 3.59Å; I512-H544 VanDerWaalsContact CA-O 3.26Å; I512-H544 WeakPolarHBondContact CA-O 3.35Å; I512-I545 HydrophobicContact CG1-CG1 4.23Å; I512-I545 HydrophobicContact CG2-CG1 4.28Å
513	Q	86.4	Confident	73.7	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.7	171.3	-64.2	-175.4	-41	0	0	110.7	E304 R511 A543 H544	E304-Q513 HydrophobicContact CB-CG 4.33Å; E304-Q513 HydrophobicContact CG-CG 4.02Å; E304-Q513 PolarHBondContact OE1-NE2 2.99Å; R511-Q513 VanDerWaalsContact CZ-CD 3.47Å; Q513-A543 WeakPolarHBondContact O-CA 3.48Å; Q513-H544 HydrophobicContact CB-CB 4.43Å; Q513-H544 PolarHBondContact N-O 2.75Å; Q513-H544 PolarHBondContact O-N 2.95Å
514	F	87.5	Confident	72.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.4	176.7	-67.1	-89.7	0	0	0	111.2	L293 I297 I303 I305 L479 F482 I512 L542 A543	L293-F514 HydrophobicContact CD1-CE2 3.92Å; L293-F514 HydrophobicContact CD1-CZ 4.32Å; L293-F514 HydrophobicContact CD2-CE2 4.31Å; L293-F514 HydrophobicContact CD2-CZ 3.92Å; L293-F514 HydrophobicContact CG-CZ 4.47Å; I297-F514 HydrophobicContact CD1-CB 4.35Å; I297-F514 HydrophobicContact CD1-CD1 3.65Å; I297-F514 HydrophobicContact CD1-CD2 4.15Å; I297-F514 HydrophobicContact CD1-CE1 3.88Å; I297-F514 HydrophobicContact CD1-CE2 4.37Å; I297-F514 HydrophobicContact CD1-CG 3.78Å; I297-F514 HydrophobicContact CD1-CZ 4.23Å; I297-F514 HydrophobicContact CG1-CB 4.3Å; I297-F514 HydrophobicContact CG1-CD1 4.47Å; I297-F514 HydrophobicContact CG1-CD2 4.37Å; I297-F514 HydrophobicContact CG1-CG 4.13Å; I303-F514 HydrophobicContact CB-CD2 4.28Å; I303-F514 HydrophobicContact CG2-CD2 4.07Å; I303-F514 PolarHBondContact O-N 3.14Å; I305-F514 HydrophobicContact CD1-CE2 3.89Å; I305-F514 HydrophobicContact CD1-CZ 4.49Å; L479-F514 HydrophobicContact CD2-CE1 4.37Å; F482-F514 HydrophobicContact CD1-CZ 4.31Å; F482-F514 HydrophobicContact CD2-CE1 4Å; F482-F514 AromaticContact CD2-CZ 4Å; F482-F514 HydrophobicContact CD2-CZ 4Å; F482-F514 AromaticContact CE1-CZ 3.92Å; F482-F514 HydrophobicContact CE1-CZ 3.92Å; F482-F514 HydrophobicContact CE2-CE1 4.01Å; F482-F514 AromaticContact CE2-CZ 3.57Å; F482-F514 HydrophobicContact CE2-CZ 3.57Å; F482-F514 HydrophobicContact CG-CE1 4.32Å; F482-F514 HydrophobicContact CG-CZ 4.34Å; F482-F514 HydrophobicContact CZ-CE1 4.35Å; F482-F514 HydrophobicContact CZ-CE2 4.39Å; F482-F514 AromaticContact CZ-CZ 3.53Å; F482-F514 HydrophobicContact CZ-CZ 3.53Å; I512-F514 HydrophobicContact CG2-CD2 4.49Å; I512-F514 HydrophobicContact CG2-CE2 3.9Å; I512-F514 HydrophobicContact CG2-CZ 4.06Å; F514-L542 WeakPolarHBondContact CA-O 3.43Å; F514-A543 HydrophobicContact CD1-CB 4.16Å; F514-A543 HydrophobicContact CE1-CB 3.84Å; F514-A543 HydrophobicContact CZ-CB 4.49Å
515	T	85.2	Confident	72.1	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	167.2	170.2	69.1	0	0	0	0	110.6	G209 G220 L542 H544	G209-T515 VanDerWaalsContact O-CG2 3.23Å; G209-T515 WeakPolarHBondContact O-CG2 3.44Å; G220-T515 PolarHBondContact O-OG1 3.32Å; T515-L542 PolarHBondContact N-O 2.97Å; T515-L542 PolarHBondContact O-N 2.68Å; T515-H544 WeakPolarHBondContact CG2-NE2 3.44Å; T515-H544 PolarHBondContact OG1-NE2 2.81Å
516	C	81.3	Confident	71.7	Confident	9 Å²	9	15.9 Å²	15.9	6%	0.061	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	162.9	168	42.1	0	0	0	0	111.3	P213 G219 G220	P213-C516 HydrophobicContact CB-CB 4.31Å; P213-C516 HydrophobicContact CG-CB 4.32Å; G219-C516 WeakPolarHBondContact CA-SG 3.23Å; G219-C516 PolarHBondContact O-SG 3.08Å; G219-C516 VanDerWaalsContact O-SG 3.4Å; G220-C516 WeakPolarHBondContact CA-O 3.31Å; G220-C516 PolarHBondContact N-O 3.46Å; G220-C516 PolarHBondContact N-SG 3.38Å; G220-C516 VanDerWaalsContact N-SG 3.41Å
517	G	77.7	Confident	71.1	Confident	2 Å²	2	17 Å²	17	2%	0.021	10%	0.103	C	C	.	.			trans	-54.9	149	170.2	0	0	0	0	0	111.4	G220 L540	G220-G517 PolarHBondContact N-O 3.49Å; G517-L540 PolarHBondContact N-O 2.85Å
518	T	72.6	Confident	70.5	Confident	5 Å²	5	18 Å²	18	3%	0.031	11%	0.108	C	C	.	.			trans	-110.5	145.9	175.2	170.5	0	0	0	0	110.7	C221 D224 N520 G521 L524 L542	C221-T518 PolarHBondContact SG-OG1 3.28Å; D224-T518 VanDerWaalsContact OD2-CB 3.29Å; D224-T518 WeakPolarHBondContact OD2-CB 3.19Å; D224-T518 PolarHBondContact OD2-OG1 3.36Å; T518-N520 PolarHBondContact O-N 2.94Å; T518-N520 PolarHBondContact OG1-N 3.41Å; T518-G521 VanDerWaalsContact CG2-N 3.3Å; T518-G521 PolarHBondContact O-N 3.36Å; T518-G521 VanDerWaalsContact O-N 3.09Å; T518-L524 HydrophobicContact CG2-CD1 4.21Å; T518-L542 HydrophobicContact CG2-CD1 3.68Å
519	N	67.1	Low	69.3	Low	44 Å²	44	27.6 Å²	27.6	24%	0.235	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28	170.1	-61.3	-45.4	0	0	0	111.6	D224 M248 K538	D224-N519 PolarHBondContact OD1-ND2 3.31Å; M248-N519 HydrophobicContact SD-CB 3.71Å; N519-K538 WeakPolarHBondContact OD1-CE 3.37Å
520	N	62.7	Low	67.8	Low	5 Å²	5	30.6 Å²	30.6	3%	0.027	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	10.1	179.1	-63	-24.5	0	0	0	112.9	T223 V251 S252 T518 H522 L523 L524	T223-N520 PolarHBondContact OG1-ND2 2.94Å; V251-N520 VanDerWaalsContact CG2-ND2 3.33Å; V251-N520 WeakPolarHBondContact CG2-ND2 3.49Å; S252-N520 PolarHBondContact OG-OD1 2.92Å; S252-N520 VanDerWaalsContact OG-OD1 3.12Å; T518-N520 PolarHBondContact O-N 2.94Å; T518-N520 PolarHBondContact OG1-N 3.41Å; N520-H522 PolarHBondContact O-N 3.41Å; N520-H522 VanDerWaalsContact O-N 3.09Å; N520-L523 HydrophobicContact CB-CD1 3.98Å; N520-L523 WeakPolarHBondContact O-CB 3.14Å; N520-L523 PolarHBondContact O-N 3.04Å; N520-L524 PolarHBondContact O-N 2.89Å
521	G	58.7	Low	65.8	Low	1 Å²	1	38.5 Å²	38.5	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.3	-179.7	0	0	0	0	0	112.9	T518 L523 L524 G525 V526	T518-G521 VanDerWaalsContact CG2-N 3.3Å; T518-G521 PolarHBondContact O-N 3.36Å; T518-G521 VanDerWaalsContact O-N 3.09Å; G521-L523 VanDerWaalsContact C-N 3.27Å; G521-L523 PolarHBondContact O-N 2.96Å; G521-L524 CarbonylContact O-C 3.56Å; G521-L524 WeakPolarHBondContact O-CB 2.98Å; G521-L524 PolarHBondContact O-N 2.77Å; G521-G525 PolarHBondContact O-N 3.49Å; G521-G525 VanDerWaalsContact O-N 3.16Å; G521-V526 CarbonylContact C-O 3.57Å; G521-V526 PolarHBondContact O-N 3.34Å
522	H	57.4	Low	63.9	Low	125 Å²	125	43.6 Å²	43.6	58%	0.579	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-36.7	172.7	-66.8	-78.2	0	0	0	114.3	N520 G525 R537	N520-H522 PolarHBondContact O-N 3.41Å; N520-H522 VanDerWaalsContact O-N 3.09Å; H522-G525 WeakPolarHBondContact O-CA 3.18Å; H522-G525 PolarHBondContact O-N 2.65Å; H522-G525 VanDerWaalsContact O-N 3.12Å; H522-R537 PolarHBondContact CD2-NH1 3.07Å; H522-R537 PolarHBondContact CE1-NH1 3.45Å; H522-R537 PolarHBondContact CE1-NH2 3.21Å; H522-R537 PolarHBondContact ND1-NH1 3.16Å; H522-R537 VanDerWaalsContact ND1-NH1 3.19Å; H522-R537 PolarHBondContact ND1-NH2 3.1Å; H522-R537 PolarHBondContact NE2-NE 3.34Å; H522-R537 PolarHBondContact NE2-NH1 3.32Å
523	L	53.7	Low	61.9	Low	71 Å²	71	50 Å²	50	37%	0.372	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-30.7	-178.4	-70	134.3	0	0	0	112.6	S252 N520 G521 G525	S252-L523 WeakPolarHBondContact O-CD2 3.25Å; S252-L523 WeakPolarHBondContact OG-CD1 3.23Å; N520-L523 HydrophobicContact CB-CD1 3.98Å; N520-L523 WeakPolarHBondContact O-CB 3.14Å; N520-L523 PolarHBondContact O-N 3.04Å; G521-L523 VanDerWaalsContact C-N 3.27Å; G521-L523 PolarHBondContact O-N 2.96Å; L523-G525 PolarHBondContact O-N 3.2Å; L523-G525 VanDerWaalsContact O-N 3.14Å
524	L	56.8	Low	59.8	Low	5 Å²	5	58.3 Å²	58.3	3%	0.026	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	3.4	162.2	-67.6	-175	0	0	0	111.9	T206 T518 N520 G521 V526 M578	T206-L524 WeakPolarHBondContact O-CD2 3.35Å; T206-L524 WeakPolarHBondContact OG1-CD2 3.29Å; T518-L524 HydrophobicContact CG2-CD1 4.21Å; N520-L524 PolarHBondContact O-N 2.89Å; G521-L524 CarbonylContact O-C 3.56Å; G521-L524 WeakPolarHBondContact O-CB 2.98Å; G521-L524 PolarHBondContact O-N 2.77Å; L524-V526 HydrophobicContact CB-CG2 3.5Å; L524-V526 VanDerWaalsContact CB-CG2 3.5Å; L524-V526 WeakPolarHBondContact O-CG2 3.32Å; L524-V526 PolarHBondContact O-N 2.82Å; L524-M578 WeakPolarHBondContact O-CB 3.48Å; L524-M578 VanDerWaalsContact O-CE 3.31Å; L524-M578 WeakPolarHBondContact O-CE 3.28Å; L524-M578 WeakPolarHBondContact O-CG 3.14Å
525	G	57	Low	58.1	Low	42 Å²	42	62.5 Å²	62.5	43%	0.433	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	24.2	-177	0	0	0	0	0	113.6	G521 H522 L523 M578	G521-G525 PolarHBondContact O-N 3.49Å; G521-G525 VanDerWaalsContact O-N 3.16Å; H522-G525 WeakPolarHBondContact O-CA 3.18Å; H522-G525 PolarHBondContact O-N 2.65Å; H522-G525 VanDerWaalsContact O-N 3.12Å; L523-G525 PolarHBondContact O-N 3.2Å; L523-G525 VanDerWaalsContact O-N 3.14Å; G525-M578 WeakPolarHBondContact CA-SD 3.36Å
526	V	59.8	Low	57	Low	2 Å²	2	67 Å²	67	1%	0.012	36%	0.363	C	S	.	.			trans	-100.7	129.4	174.8	-143.1	0	0	0	0	107	T472 E474 G521 L524 L542 T576 M578	T472-V526 HydrophobicContact CG2-CG1 4.18Å; T472-V526 HydrophobicContact CG2-CG2 3.85Å; E474-V526 HydrophobicContact CB-CG1 3.97Å; G521-V526 CarbonylContact C-O 3.57Å; G521-V526 PolarHBondContact O-N 3.34Å; L524-V526 HydrophobicContact CB-CG2 3.5Å; L524-V526 VanDerWaalsContact CB-CG2 3.5Å; L524-V526 WeakPolarHBondContact O-CG2 3.32Å; L524-V526 PolarHBondContact O-N 2.82Å; V526-L542 HydrophobicContact CB-CD2 4.47Å; V526-L542 HydrophobicContact CG1-CD2 4.15Å; V526-T576 WeakPolarHBondContact CG1-O 3.37Å; V526-M578 HydrophobicContact CG2-CB 4.13Å
527	G	55.7	Low	56.2	Low	23 Å²	23	69.4 Å²	69.4	24%	0.237	37%	0.372	C	S	.	.			trans	169.8	132.4	176.7	0	0	0	0	0	111.6	E474 E529	E474-G527 WeakPolarHBondContact OE2-CA 3.27Å; G527-E529 PolarHBondContact O-N 2.86Å
528	L	55.1	Low	55.5	Low	25 Å²	25	72.2 Å²	72.2	13%	0.131	38%	0.383	C	S	.	.			trans	-64.1	130.4	164.2	-70.6	161.5	0	0	0	109.7	E474 S530 L540 T576	E474-L528 HydrophobicContact CG-CD1 4.37Å; E474-L528 WeakPolarHBondContact OE1-CB 3.38Å; E474-L528 WeakPolarHBondContact OE1-CD1 3.37Å; E474-L528 VanDerWaalsContact OE1-CG 3.31Å; E474-L528 WeakPolarHBondContact OE1-CG 3.25Å; E474-L528 PolarHBondContact OE1-N 3.33Å; L528-S530 PolarHBondContact O-N 3.18Å; L528-L540 HydrophobicContact CD1-CD2 4.27Å; L528-T576 HydrophobicContact CD2-CG2 3.39Å; L528-T576 HydrophobicContact CG-CG2 3.9Å
529	E	49.9	Very low	55.4	Low	202 Å²	202	77.1 Å²	77.1	94%	0.944	41%	0.409	S	S	*	.			trans	-65	83.2	154.4	-78.5	-174.1	159.8	0	0	106.9	G527	G527-E529 PolarHBondContact O-N 2.86Å
530	S	46.9	Very low	55.9	Low	67 Å²	67	75.6 Å²	75.6	47%	0.469	40%	0.401	S	S	.	.			trans	-98.7	115.5	162	73.8	0	0	0	0	108.1	L528 E532	L528-S530 PolarHBondContact O-N 3.18Å; S530-E532 PolarHBondContact O-N 3.27Å; S530-E532 PolarHBondContact OG-O 2.86Å
531	D	41.5	Very low	57	Low	168 Å²	168	75.9 Å²	75.9	90%	0.898	40%	0.402	S	S	*	.	S	Bend	trans	-60.1	-7.3	167.6	-72.3	-32.9	0	0	0	112.9	P533	D531-P533 WeakPolarHBondContact O-CD 3.32Å
532	E	42.3	Very low	58.3	Low	119 Å²	119	76 Å²	76	56%	0.556	40%	0.403	S	S	*	.			trans	-91.3	108.5	174.3	-66.4	-155.7	158.5	0	0	111.6	S530 K534	S530-E532 PolarHBondContact O-N 3.27Å; S530-E532 PolarHBondContact OG-O 2.86Å; E532-K534 PolarHBondContact O-N 3.42Å
533	P	44	Very low	59.7	Low	133 Å²	133	70 Å²	70	86%	0.864	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	21.9	171.4	28.5	-35.4	0	0	0	113.5	D531	D531-P533 WeakPolarHBondContact O-CD 3.32Å
534	K	43.5	Very low	61.2	Low	176 Å²	176	66.6 Å²	66.6	77%	0.765	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-21.8	-166.6	-74.3	-175.3	179.1	174.8	0	115.8	E532 D536	E532-K534 PolarHBondContact O-N 3.42Å; K534-D536 PolarHBondContact O-N 3.01Å
535	L	52.2	Low	62.6	Low	89 Å²	89	66.4 Å²	66.4	47%	0.466	36%	0.356	S	S	.	.	S	Bend	trans	-78.2	111.8	170.3	-97.9	95.8	0	0	0	108.7	R537 L540	L535-R537 PolarHBondContact O-N 3.07Å; L535-L540 HydrophobicContact CD2-CD2 3.98Å
536	D	61.6	Low	63.7	Low	93 Å²	93	64.6 Å²	64.6	50%	0.497	34%	0.337	S	S	.	.			trans	-56.6	113	166.4	-167.8	-7.4	0	0	0	107.2	K534 K538 N539	K534-D536 PolarHBondContact O-N 3.01Å; D536-K538 PolarHBondContact O-N 2.95Å; D536-N539 WeakPolarHBondContact O-CB 3.32Å; D536-N539 PolarHBondContact O-N 2.65Å
537	R	63.8	Low	64.6	Low	61 Å²	61	64.6 Å²	64.6	23%	0.23	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-55.1	-23	-174.5	-76.5	-179.8	165.8	-130	-10	112.6	H522 L535 N539 L540	H522-R537 PolarHBondContact CD2-NH1 3.07Å; H522-R537 PolarHBondContact CE1-NH1 3.45Å; H522-R537 PolarHBondContact CE1-NH2 3.21Å; H522-R537 PolarHBondContact ND1-NH1 3.16Å; H522-R537 VanDerWaalsContact ND1-NH1 3.19Å; H522-R537 PolarHBondContact ND1-NH2 3.1Å; H522-R537 PolarHBondContact NE2-NE 3.34Å; H522-R537 PolarHBondContact NE2-NH1 3.32Å; L535-R537 PolarHBondContact O-N 3.07Å; R537-N539 PolarHBondContact O-N 2.72Å; R537-L540 HydrophobicContact CB-CD1 4.47Å; R537-L540 HydrophobicContact CG-CD1 4.29Å; R537-L540 WeakPolarHBondContact O-CB 3.46Å; R537-L540 PolarHBondContact O-N 3Å
538	K	63	Low	65.4	Low	61 Å²	61	64.2 Å²	64.2	27%	0.265	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23.1	172.8	-66.8	-175.5	176.9	-177.4	0	113.8	N519 D536 L540	N519-K538 WeakPolarHBondContact OD1-CE 3.37Å; D536-K538 PolarHBondContact O-N 2.95Å; K538-L540 VanDerWaalsContact C-N 3.32Å
539	N	71.5	Confident	66	Low	107 Å²	107	63.1 Å²	63.1	57%	0.572	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-84.3	-7.6	177.1	-64.4	-17.8	0	0	0	113.3	D536 R537	D536-N539 WeakPolarHBondContact O-CB 3.32Å; D536-N539 PolarHBondContact O-N 2.65Å; R537-N539 PolarHBondContact O-N 2.72Å
540	L	77.5	Confident	66.7	Low	12 Å²	12	53.7 Å²	53.7	6%	0.063	28%	0.279	C	S	.	.	S	Bend	trans	-83	159.6	175.9	-61.1	166.3	0	0	0	109.8	E474 G517 L528 L535 R537 K538	E474-L540 HydrophobicContact CG-CB 3.97Å; E474-L540 HydrophobicContact CG-CD1 4.18Å; E474-L540 WeakPolarHBondContact OE1-CD1 3.34Å; G517-L540 PolarHBondContact N-O 2.85Å; L528-L540 HydrophobicContact CD1-CD2 4.27Å; L535-L540 HydrophobicContact CD2-CD2 3.98Å; R537-L540 HydrophobicContact CB-CD1 4.47Å; R537-L540 HydrophobicContact CG-CD1 4.29Å; R537-L540 WeakPolarHBondContact O-CB 3.46Å; R537-L540 PolarHBondContact O-N 3Å; K538-L540 VanDerWaalsContact C-N 3.32Å
541	L	84.5	Confident	67.4	Low	12 Å²	12	51.4 Å²	51.4	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.5	177.3	-74.8	164.6	0	0	0	109.1	P213 I297 E474 T475 L479	P213-L541 HydrophobicContact CG-CD2 3.29Å; I297-L541 HydrophobicContact CD1-CD1 4.47Å; I297-L541 HydrophobicContact CG2-CD1 4.13Å; I297-L541 HydrophobicContact CG2-CD2 3.62Å; E474-L541 WeakPolarHBondContact CA-O 3.41Å; T475-L541 HydrophobicContact CG2-CB 3.53Å; T475-L541 HydrophobicContact CG2-CD1 4.42Å; T475-L541 PolarHBondContact N-O 2.98Å; T475-L541 PolarHBondContact O-N 3.36Å; L479-L541 HydrophobicContact CD2-CD1 3.91Å
542	L	85.9	Confident	68	Low	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.8	168.7	-61.4	176.7	0	0	0	109	T472 M473 E474 F514 T515 T518 V526	T472-L542 HydrophobicContact CG2-CB 4.21Å; T472-L542 HydrophobicContact CG2-CD2 4.25Å; M473-L542 WeakPolarHBondContact O-CA 3.3Å; E474-L542 HydrophobicContact CB-CD2 4.03Å; E474-L542 HydrophobicContact CG-CD2 4.15Å; F514-L542 WeakPolarHBondContact CA-O 3.43Å; T515-L542 PolarHBondContact N-O 2.97Å; T515-L542 PolarHBondContact O-N 2.68Å; T518-L542 HydrophobicContact CG2-CD1 3.68Å; V526-L542 HydrophobicContact CB-CD2 4.47Å; V526-L542 HydrophobicContact CG1-CD2 4.15Å
543	A	88.4	Confident	68.4	Low	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121	169.7	0	0	0	0	0	109	T472 M473 F482 I512 Q513 F514	T472-A543 WeakPolarHBondContact CA-O 3.23Å; M473-A543 HydrophobicContact CG-CB 3.92Å; M473-A543 PolarHBondContact N-O 3.47Å; M473-A543 PolarHBondContact O-N 3.48Å; F482-A543 HydrophobicContact CD2-CB 3.83Å; F482-A543 HydrophobicContact CE2-CB 4.03Å; I512-A543 HydrophobicContact CG2-CB 4.33Å; Q513-A543 WeakPolarHBondContact O-CA 3.48Å; F514-A543 HydrophobicContact CD1-CB 4.16Å; F514-A543 HydrophobicContact CE1-CB 3.84Å; F514-A543 HydrophobicContact CZ-CB 4.49Å
544	H	84.9	Confident	68.8	Low	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.8	178.3	-50.8	-65.7	0	0	0	109.3	P208 F471 T472 I512 Q513 T515	P208-H544 WeakPolarHBondContact CB-CE1 3.44Å; P208-H544 VanDerWaalsContact CB-ND1 3.28Å; P208-H544 WeakPolarHBondContact CB-ND1 3.29Å; F471-H544 CarbonylContact O-C 3.58Å; F471-H544 WeakPolarHBondContact O-CA 3.39Å; T472-H544 VanDerWaalsContact CG2-CE1 3.42Å; T472-H544 WeakPolarHBondContact CG2-CE1 3.2Å; T472-H544 VanDerWaalsContact CG2-ND1 3.26Å; T472-H544 WeakPolarHBondContact CG2-ND1 2.85Å; T472-H544 PolarHBondContact OG1-ND1 2.99Å; I512-H544 CarbonylContact C-O 3.59Å; I512-H544 VanDerWaalsContact CA-O 3.26Å; I512-H544 WeakPolarHBondContact CA-O 3.35Å; Q513-H544 HydrophobicContact CB-CB 4.43Å; Q513-H544 PolarHBondContact N-O 2.75Å; Q513-H544 PolarHBondContact O-N 2.95Å; T515-H544 WeakPolarHBondContact CG2-NE2 3.44Å; T515-H544 PolarHBondContact OG1-NE2 2.81Å
545	I	85.4	Confident	69.6	Low	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.4	-175.9	-58.5	152.2	0	0	0	108.2	K470 F471 M473 I489 R511 I512 F547 M570	K470-I545 CarbonylContact C-O 3.59Å; K470-I545 WeakPolarHBondContact CA-O 3.34Å; F471-I545 PolarHBondContact N-O 2.84Å; F471-I545 PolarHBondContact O-N 3.01Å; M473-I545 HydrophobicContact CG-CD1 4.28Å; M473-I545 HydrophobicContact SD-CD1 4.14Å; I489-I545 HydrophobicContact CD1-CD1 3.74Å; I489-I545 HydrophobicContact CD1-CG2 4.33Å; R511-I545 CarbonylContact O-C 3.47Å; R511-I545 WeakPolarHBondContact O-CA 3.5Å; I512-I545 HydrophobicContact CG1-CG1 4.23Å; I512-I545 HydrophobicContact CG2-CG1 4.28Å; I545-F547 HydrophobicContact CG2-CD2 4.49Å; I545-F547 HydrophobicContact CG2-CE2 3.75Å; I545-F547 HydrophobicContact CG2-CZ 3.9Å; I545-M570 HydrophobicContact CD1-CE 4.2Å
546	T	80.4	Confident	70.4	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	-176.1	-50.4	0	0	0	0	110.2	I468 L469 R511 M548	I468-T546 HydrophobicContact CG2-CG2 3.42Å; I468-T546 VanDerWaalsContact CG2-CG2 3.42Å; L469-T546 WeakPolarHBondContact O-CA 3.38Å; R511-T546 PolarHBondContact N-O 2.91Å; R511-T546 PolarHBondContact O-N 3.44Å; T546-M548 HydrophobicContact CG2-SD 4.36Å
547	F	78.5	Confident	70.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.9	168.6	-51.6	-91.9	0	0	0	109.5	I468 L469 F471 I489 L493 V506 L510 I545 I566 M570	I468-F547 WeakPolarHBondContact CA-O 3.16Å; L469-F547 HydrophobicContact CB-CB 4.2Å; L469-F547 HydrophobicContact CB-CD2 4.27Å; L469-F547 PolarHBondContact N-O 3.48Å; L469-F547 PolarHBondContact O-N 2.88Å; F471-F547 AromaticContact CD2-CD2 3.91Å; F471-F547 HydrophobicContact CD2-CD2 3.91Å; F471-F547 AromaticContact CD2-CE2 3.68Å; F471-F547 HydrophobicContact CD2-CE2 3.68Å; F471-F547 AromaticContact CE2-CD2 3.77Å; F471-F547 HydrophobicContact CE2-CD2 3.77Å; F471-F547 AromaticContact CE2-CE2 3.71Å; F471-F547 HydrophobicContact CE2-CE2 3.71Å; I489-F547 HydrophobicContact CG2-CE1 3.99Å; I489-F547 HydrophobicContact CG2-CZ 3.76Å; L493-F547 HydrophobicContact CD1-CE1 4.46Å; L493-F547 HydrophobicContact CD2-CD1 4.43Å; L493-F547 HydrophobicContact CD2-CE1 4.09Å; V506-F547 HydrophobicContact CG1-CB 3.82Å; L510-F547 HydrophobicContact CB-CD1 4.47Å; L510-F547 HydrophobicContact CB-CE1 4.35Å; I545-F547 HydrophobicContact CG2-CD2 4.49Å; I545-F547 HydrophobicContact CG2-CE2 3.75Å; I545-F547 HydrophobicContact CG2-CZ 3.9Å; F547-I566 HydrophobicContact CD2-CG2 4.42Å; F547-I566 HydrophobicContact CE2-CG2 4.04Å; F547-I566 HydrophobicContact CZ-CG2 4.37Å; F547-M570 HydrophobicContact CE2-CE 4.42Å
548	M	72.4	Confident	71.5	Confident	15 Å²	15	38 Å²	38	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.4	178.6	-61.4	-63.4	-69.6	0	0	109.5	L409 L466 I468 N507 T546	L409-M548 HydrophobicContact CD1-CB 3.49Å; L409-M548 VanDerWaalsContact CD1-CB 3.49Å; L409-M548 HydrophobicContact CD1-CG 3.99Å; L466-M548 HydrophobicContact CB-CE 3.86Å; L466-M548 HydrophobicContact CD1-CE 3.48Å; L466-M548 VanDerWaalsContact CD1-CE 3.48Å; L466-M548 HydrophobicContact CD2-CE 4.46Å; L466-M548 HydrophobicContact CG-CE 4.13Å; I468-M548 HydrophobicContact CD1-CE 4.1Å; I468-M548 HydrophobicContact CD1-SD 3.95Å; I468-M548 HydrophobicContact CG1-CE 4.09Å; I468-M548 HydrophobicContact CG1-SD 3.81Å; I468-M548 HydrophobicContact CG2-SD 4.27Å; N507-M548 HydrophobicContact CB-CB 4.14Å; N507-M548 WeakPolarHBondContact CB-O 3.22Å; N507-M548 PolarHBondContact N-O 2.88Å; T546-M548 HydrophobicContact CG2-SD 4.36Å
549	G	67.5	Low	72.1	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.01	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-83.2	139.9	170.9	0	0	0	0	0	111.1	R467	R467-G549 PolarHBondContact O-N 3.01Å
550	L	64.9	Low	72.4	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	20%	0.199	C	C	.	.			trans	-97.5	-15.4	178.6	-65	176.3	0	0	0	112.3	L409 L420 I421 Y504 S505 N507	L409-L550 HydrophobicContact CD1-CD2 3.87Å; L409-L550 HydrophobicContact CD2-CD2 4.21Å; L420-L550 HydrophobicContact CB-CD1 4.4Å; L420-L550 HydrophobicContact CD1-CD1 3.74Å; L420-L550 HydrophobicContact CD1-CD2 3.39Å; L420-L550 HydrophobicContact CD1-CG 4.05Å; I421-L550 WeakPolarHBondContact CD1-O 3.3Å; I421-L550 WeakPolarHBondContact CG1-O 3.47Å; Y504-L550 VanDerWaalsContact O-CD1 3.25Å; Y504-L550 WeakPolarHBondContact O-CD1 3.2Å; S505-L550 PolarHBondContact O-N 3.28Å; N507-L550 HydrophobicContact CB-CD1 4.01Å; N507-L550 HydrophobicContact CB-CD2 3.76Å; N507-L550 HydrophobicContact CB-CG 3.81Å
551	T	61	Low	72.6	Confident	18 Å²	18	37.4 Å²	37.4	11%	0.11	22%	0.215	C	C	.	.	S	Bend	trans	-86.3	142.3	-179.1	62.7	0	0	0	0	112.3	N556	T551-N556 WeakPolarHBondContact CG2-ND2 3.46Å
552	G	53.9	Low	72.5	Confident	42 Å²	42	36.9 Å²	36.9	43%	0.433	21%	0.212	S	C	.	.			trans	-57.5	174.7	172.7	0	0	0	0	0	114.4	R467	R467-G552 PolarHBondContact NE-O 2.68Å; R467-G552 PolarHBondContact NH2-O 3.4Å
553	N	52.4	Low	72.3	Confident	76 Å²	76	36.8 Å²	36.8	41%	0.406	21%	0.212	S	C	.	.	S	Bend	trans	-64.9	148.2	-173.8	-70.8	-30.5	0	0	0	114.7	P465 W585	P465-N553 WeakPolarHBondContact CB-ND2 3.39Å; P465-N553 WeakPolarHBondContact CB-OD1 3.45Å; P465-N553 WeakPolarHBondContact CD-ND2 3.45Å; P465-N553 WeakPolarHBondContact CG-ND2 3.35Å; N553-W585 HydrophobicContact CB-CE3 4.41Å; N553-W585 HydrophobicContact CB-CH2 3.68Å; N553-W585 HydrophobicContact CB-CZ3 3.43Å; N553-W585 VanDerWaalsContact CB-CZ3 3.43Å
554	G	51.9	Low	72	Confident	29 Å²	29	43.6 Å²	43.6	30%	0.299	24%	0.241	S	C	.	.	S	Bend	trans	116.4	-171.4	171.2	0	0	0	0	0	115	R467 N556	R467-G554 PolarHBondContact NH1-O 2.98Å; R467-G554 PolarHBondContact NH2-O 3.44Å; G554-N556 PolarHBondContact O-N 2.82Å
555	P	59.1	Low	72.1	Confident	120 Å²	120	46.8 Å²	46.8	78%	0.779	26%	0.256	S	S	*	.			trans	-65.9	118.6	170.5	24.2	-28.2	0	0	0	109.5
556	N	69.3	Low	72.1	Confident	44 Å²	44	46.9 Å²	46.9	24%	0.235	26%	0.257	C	S	.	.			trans	-129.6	119.5	173.6	-178.8	-62.4	0	0	0	108.2	T551 G554 L558 W559 N560	T551-N556 WeakPolarHBondContact CG2-ND2 3.46Å; G554-N556 PolarHBondContact O-N 2.82Å; N556-L558 WeakPolarHBondContact OD1-CB 3.46Å; N556-L558 PolarHBondContact OD1-N 3.13Å; N556-W559 HydrophobicContact CB-CB 4.03Å; N556-W559 PolarHBondContact O-N 3.04Å; N556-W559 PolarHBondContact OD1-N 3.42Å; N556-N560 WeakPolarHBondContact O-CB 3.41Å; N556-N560 PolarHBondContact O-N 3.39Å; N556-N560 PolarHBondContact O-ND2 3.45Å
557	K	73.7	Confident	72.2	Confident	163 Å²	163	48 Å²	48	71%	0.709	26%	0.263	S	S	*	.	H	α-helix	trans	-65.1	-44.3	-174.5	-171.8	179.2	176	-173.6	0	111.6	W559 N560 D561	K557-W559 PolarHBondContact O-N 2.97Å; K557-N560 PolarHBondContact O-N 3.35Å; K557-D561 WeakPolarHBondContact O-CB 3.35Å; K557-D561 VanDerWaalsContact O-CG 3.24Å; K557-D561 PolarHBondContact O-N 2.94Å
558	L	75.8	Confident	72.5	Confident	84 Å²	84	53.1 Å²	53.1	44%	0.44	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-45.8	178.5	-65.3	171.8	0	0	0	111.4	N503 S505 N556 D561 A562	N503-L558 PolarHBondContact ND2-O 3.13Å; S505-L558 PolarHBondContact OG-O 3.42Å; N556-L558 WeakPolarHBondContact OD1-CB 3.46Å; N556-L558 PolarHBondContact OD1-N 3.13Å; L558-D561 PolarHBondContact O-N 3.16Å; L558-A562 WeakPolarHBondContact O-CB 3.22Å; L558-A562 PolarHBondContact O-N 3.1Å
559	W	76.1	Confident	73.2	Confident	12 Å²	12	53.4 Å²	53.4	5%	0.045	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-49	174.3	168	-93.5	0	0	0	111.4	R467 L469 S505 V506 N556 K557 D561 A562 A563	R467-W559 HydrophobicContact CB-CD2 4.3Å; R467-W559 HydrophobicContact CB-CE3 4.41Å; R467-W559 HydrophobicContact CB-CH2 3.62Å; R467-W559 HydrophobicContact CB-CZ2 3.52Å; R467-W559 HydrophobicContact CB-CZ3 4.1Å; R467-W559 VanDerWaalsContact CD-CE2 3.48Å; R467-W559 HydrophobicContact CG-CZ2 4.43Å; L469-W559 HydrophobicContact CD1-CH2 3.67Å; L469-W559 HydrophobicContact CD1-CZ2 4Å; L469-W559 HydrophobicContact CD1-CZ3 4.24Å; L469-W559 HydrophobicContact CD2-CH2 4.47Å; L469-W559 HydrophobicContact CD2-CZ2 4.15Å; L469-W559 HydrophobicContact CG-CH2 3.58Å; L469-W559 HydrophobicContact CG-CZ2 3.74Å; S505-W559 VanDerWaalsContact OG-CA 3.26Å; S505-W559 WeakPolarHBondContact OG-CA 3.16Å; S505-W559 PolarHBondContact OG-N 3.26Å; V506-W559 HydrophobicContact CB-CZ3 4.36Å; V506-W559 HydrophobicContact CG1-CZ3 4.46Å; V506-W559 HydrophobicContact CG2-CE3 3.73Å; V506-W559 HydrophobicContact CG2-CZ3 3.62Å; N556-W559 HydrophobicContact CB-CB 4.03Å; N556-W559 PolarHBondContact O-N 3.04Å; N556-W559 PolarHBondContact OD1-N 3.42Å; K557-W559 PolarHBondContact O-N 2.97Å; W559-D561 VanDerWaalsContact C-N 3.26Å; W559-D561 PolarHBondContact O-N 3.33Å; W559-A562 PolarHBondContact O-N 2.92Å; W559-A563 HydrophobicContact CD2-CB 4.41Å; W559-A563 HydrophobicContact CZ2-CB 4.28Å; W559-A563 WeakPolarHBondContact O-CB 3.48Å; W559-A563 PolarHBondContact O-N 3.47Å
560	N	76.9	Confident	74	Confident	82 Å²	82	53.4 Å²	53.4	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-40.1	-178.4	-72.4	-19.8	0	0	0	111.1	N556 K557 K564	N556-N560 WeakPolarHBondContact O-CB 3.41Å; N556-N560 PolarHBondContact O-N 3.39Å; N556-N560 PolarHBondContact O-ND2 3.45Å; K557-N560 PolarHBondContact O-N 3.35Å; N560-K564 WeakPolarHBondContact O-CB 3.43Å; N560-K564 PolarHBondContact O-N 2.79Å
561	D	81.6	Confident	74.7	Confident	74 Å²	74	57.5 Å²	57.5	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-49.1	178.9	-69.5	-21.1	0	0	0	111.3	K557 L558 W559 K564 Q565	K557-D561 WeakPolarHBondContact O-CB 3.35Å; K557-D561 VanDerWaalsContact O-CG 3.24Å; K557-D561 PolarHBondContact O-N 2.94Å; L558-D561 PolarHBondContact O-N 3.16Å; W559-D561 VanDerWaalsContact C-N 3.26Å; W559-D561 PolarHBondContact O-N 3.33Å; D561-K564 PolarHBondContact O-N 2.64Å; D561-Q565 WeakPolarHBondContact O-CB 3.35Å; D561-Q565 PolarHBondContact O-N 3.17Å
562	A	82.6	Confident	75.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-48.4	177.3	0	0	0	0	0	111.8	L496 S505 V506 L558 W559 K564 Q565 I566	L496-A562 HydrophobicContact CD2-CB 4.14Å; S505-A562 WeakPolarHBondContact OG-CB 2.88Å; V506-A562 HydrophobicContact CG2-CB 3.51Å; L558-A562 WeakPolarHBondContact O-CB 3.22Å; L558-A562 PolarHBondContact O-N 3.1Å; W559-A562 PolarHBondContact O-N 2.92Å; A562-K564 VanDerWaalsContact C-N 3.29Å; A562-K564 PolarHBondContact O-N 3.37Å; A562-Q565 PolarHBondContact O-N 2.94Å; A562-I566 WeakPolarHBondContact O-CG1 3.35Å; A562-I566 PolarHBondContact O-N 2.97Å
563	A	80.8	Confident	77.2	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-38.6	178.8	0	0	0	0	0	111.9	L469 W559 N567 W581	L469-A563 HydrophobicContact CD1-CB 3.62Å; L469-A563 HydrophobicContact CD2-CB 4.11Å; L469-A563 HydrophobicContact CG-CB 4.39Å; W559-A563 HydrophobicContact CD2-CB 4.41Å; W559-A563 HydrophobicContact CZ2-CB 4.28Å; W559-A563 WeakPolarHBondContact O-CB 3.48Å; W559-A563 PolarHBondContact O-N 3.47Å; A563-N567 VanDerWaalsContact O-CB 3.23Å; A563-N567 WeakPolarHBondContact O-CB 3.39Å; A563-N567 PolarHBondContact O-N 2.97Å; A563-W581 HydrophobicContact CB-CH2 3.64Å; A563-W581 HydrophobicContact CB-CZ2 4.27Å
564	K	82.8	Confident	78.6	Confident	143 Å²	143	61.5 Å²	61.5	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-64.8	-44.3	174.4	-178.8	-178.2	-180	-174.4	0	111.4	N560 D561 A562 N567 L568	N560-K564 WeakPolarHBondContact O-CB 3.43Å; N560-K564 PolarHBondContact O-N 2.79Å; D561-K564 PolarHBondContact O-N 2.64Å; A562-K564 VanDerWaalsContact C-N 3.29Å; A562-K564 PolarHBondContact O-N 3.37Å; K564-N567 PolarHBondContact O-N 3.05Å; K564-L568 VanDerWaalsContact O-CB 3.25Å; K564-L568 WeakPolarHBondContact O-CB 3.44Å; K564-L568 PolarHBondContact O-N 3.27Å
565	Q	86.2	Confident	79.1	Confident	67 Å²	67	65.9 Å²	65.9	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-45	179.6	-170.6	176.5	7.6	0	0	111.8	L496 D561 A562 T569	L496-Q565 VanDerWaalsContact CD2-OE1 3.28Å; D561-Q565 WeakPolarHBondContact O-CB 3.35Å; D561-Q565 PolarHBondContact O-N 3.17Å; A562-Q565 PolarHBondContact O-N 2.94Å; Q565-T569 WeakPolarHBondContact O-CB 3.36Å; Q565-T569 PolarHBondContact O-N 3.43Å; Q565-T569 PolarHBondContact O-OG1 3.35Å
566	I	86.4	Confident	79.6	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-54.2	174.4	-65.1	168.1	0	0	0	109.3	L469 F471 I492 L496 V506 F547 A562 L568 T569 M570	L469-I566 HydrophobicContact CD1-CD1 4.38Å; F471-I566 HydrophobicContact CE2-CG2 3.72Å; F471-I566 HydrophobicContact CZ-CG2 3.75Å; I492-I566 HydrophobicContact CG2-CG1 3.95Å; L496-I566 HydrophobicContact CD1-CD1 4.06Å; L496-I566 HydrophobicContact CD1-CG1 4.14Å; V506-I566 HydrophobicContact CB-CD1 4.45Å; V506-I566 HydrophobicContact CG1-CD1 4.07Å; V506-I566 HydrophobicContact CG2-CD1 4.15Å; F547-I566 HydrophobicContact CD2-CG2 4.42Å; F547-I566 HydrophobicContact CE2-CG2 4.04Å; F547-I566 HydrophobicContact CZ-CG2 4.37Å; A562-I566 WeakPolarHBondContact O-CG1 3.35Å; A562-I566 PolarHBondContact O-N 2.97Å; I566-L568 VanDerWaalsContact C-N 3.35Å; I566-L568 PolarHBondContact O-N 3.38Å; I566-T569 PolarHBondContact O-N 3.08Å; I566-M570 HydrophobicContact CG2-CG 3.9Å; I566-M570 WeakPolarHBondContact O-CB 3.37Å; I566-M570 WeakPolarHBondContact O-CG 3.43Å; I566-M570 PolarHBondContact O-N 3.3Å
567	N	83.4	Confident	79.9	Confident	29 Å²	29	59.1 Å²	59.1	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-52.5	-51.1	178.5	-101.6	10.9	0	0	0	112.8	F471 A563 K564 T569 M570 L571 W581	F471-N567 WeakPolarHBondContact CE1-OD1 3.37Å; F471-N567 WeakPolarHBondContact CZ-OD1 3.47Å; A563-N567 VanDerWaalsContact O-CB 3.23Å; A563-N567 WeakPolarHBondContact O-CB 3.39Å; A563-N567 PolarHBondContact O-N 2.97Å; K564-N567 PolarHBondContact O-N 3.05Å; N567-T569 VanDerWaalsContact C-N 3.27Å; N567-T569 PolarHBondContact O-N 3.22Å; N567-M570 PolarHBondContact O-N 3.14Å; N567-L571 VanDerWaalsContact O-CB 3.32Å; N567-L571 WeakPolarHBondContact O-CB 3.18Å; N567-L571 VanDerWaalsContact O-CG 3.3Å; N567-L571 WeakPolarHBondContact O-CG 3.28Å; N567-L571 PolarHBondContact O-N 3.47Å; N567-W581 VanDerWaalsContact CG-CZ2 3.41Å; N567-W581 WeakPolarHBondContact ND2-CZ2 3.46Å; N567-W581 PolarHBondContact ND2-NE1 3.09Å; N567-W581 WeakPolarHBondContact OD1-CZ2 3.36Å; N567-W581 PolarHBondContact OD1-NE1 2.9Å; N567-W581 VanDerWaalsContact OD1-NE1 3.08Å
568	L	84.3	Confident	79.8	Confident	108 Å²	108	54.3 Å²	54.3	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-42.6	-175.5	-164.4	101.2	0	0	0	109.8	K564 I566 T572	K564-L568 VanDerWaalsContact O-CB 3.25Å; K564-L568 WeakPolarHBondContact O-CB 3.44Å; K564-L568 PolarHBondContact O-N 3.27Å; I566-L568 VanDerWaalsContact C-N 3.35Å; I566-L568 PolarHBondContact O-N 3.38Å; L568-T572 VanDerWaalsContact O-CB 3.29Å; L568-T572 WeakPolarHBondContact O-CB 3.49Å; L568-T572 WeakPolarHBondContact O-CG2 3.07Å; L568-T572 PolarHBondContact O-N 2.79Å; L568-T572 PolarHBondContact O-OG1 3.14Å
569	T	86.3	Confident	79.2	Confident	22 Å²	22	51.8 Å²	51.8	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-44.3	179.9	-49.2	0	0	0	0	111.5	T488 I492 Q565 I566 N567 L571 T572 K573	T488-T569 HydrophobicContact CG2-CG2 4Å; I492-T569 VanDerWaalsContact CD1-CB 3.41Å; I492-T569 HydrophobicContact CD1-CG2 3.36Å; I492-T569 HydrophobicContact CG1-CG2 3.75Å; Q565-T569 WeakPolarHBondContact O-CB 3.36Å; Q565-T569 PolarHBondContact O-N 3.43Å; Q565-T569 PolarHBondContact O-OG1 3.35Å; I566-T569 PolarHBondContact O-N 3.08Å; N567-T569 VanDerWaalsContact C-N 3.27Å; N567-T569 PolarHBondContact O-N 3.22Å; T569-L571 PolarHBondContact O-N 3.37Å; T569-T572 PolarHBondContact O-N 3.37Å; T569-T572 PolarHBondContact O-OG1 3.09Å; T569-K573 HydrophobicContact CG2-CB 4.4Å; T569-K573 HydrophobicContact CG2-CD 3.62Å; T569-K573 HydrophobicContact CG2-CG 3.98Å; T569-K573 VanDerWaalsContact O-CB 3.3Å; T569-K573 WeakPolarHBondContact O-CB 3.36Å; T569-K573 PolarHBondContact O-N 3.33Å
570	M	84.1	Confident	78.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-50.4	177	-65.6	-71	-87.3	0	0	110.2	F471 I489 I545 F547 I566 N567 T572 I574 C577	F471-M570 HydrophobicContact CB-CE 3.55Å; F471-M570 HydrophobicContact CD1-CB 3.89Å; F471-M570 HydrophobicContact CD1-CE 3.87Å; F471-M570 HydrophobicContact CD1-CG 4.03Å; F471-M570 HydrophobicContact CD2-CE 3.68Å; F471-M570 HydrophobicContact CE1-CB 3.69Å; F471-M570 HydrophobicContact CE1-CE 4.49Å; F471-M570 HydrophobicContact CE1-CG 3.8Å; F471-M570 HydrophobicContact CE2-CE 4.32Å; F471-M570 HydrophobicContact CE2-CG 4.32Å; F471-M570 HydrophobicContact CG-CE 3.42Å; F471-M570 VanDerWaalsContact CG-CE 3.42Å; F471-M570 HydrophobicContact CG-CG 4.39Å; F471-M570 HydrophobicContact CZ-CB 4.33Å; F471-M570 HydrophobicContact CZ-CG 3.96Å; I489-M570 HydrophobicContact CD1-CE 3.89Å; I489-M570 HydrophobicContact CD1-SD 3.89Å; I489-M570 HydrophobicContact CG1-CE 4.2Å; I489-M570 HydrophobicContact CG1-SD 3.57Å; I489-M570 VanDerWaalsContact CG1-SD 3.57Å; I545-M570 HydrophobicContact CD1-CE 4.2Å; F547-M570 HydrophobicContact CE2-CE 4.42Å; I566-M570 HydrophobicContact CG2-CG 3.9Å; I566-M570 WeakPolarHBondContact O-CB 3.37Å; I566-M570 WeakPolarHBondContact O-CG 3.43Å; I566-M570 PolarHBondContact O-N 3.3Å; N567-M570 PolarHBondContact O-N 3.14Å; M570-T572 VanDerWaalsContact C-N 3.35Å; M570-T572 PolarHBondContact O-N 3.3Å; M570-I574 HydrophobicContact CE-CD1 4.25Å; M570-I574 CarbonylContact O-C 3.52Å; M570-I574 WeakPolarHBondContact O-CA 3.11Å; M570-I574 WeakPolarHBondContact O-CB 3.23Å; M570-I574 PolarHBondContact O-N 3.36Å; M570-I574 VanDerWaalsContact O-O 3.11Å; M570-I574 HydrophobicContact SD-CD1 3.48Å; M570-I574 WeakPolarHBondContact SD-CD1 3.47Å; M570-C577 PolarHBondContact O-SG 3.29Å
571	L	80.5	Confident	77.2	Confident	90 Å²	90	53.3 Å²	53.3	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-30.3	-179.5	-72.6	172.5	0	0	0	114.2	N567 T569 P579	N567-L571 VanDerWaalsContact O-CB 3.32Å; N567-L571 WeakPolarHBondContact O-CB 3.18Å; N567-L571 VanDerWaalsContact O-CG 3.3Å; N567-L571 WeakPolarHBondContact O-CG 3.28Å; N567-L571 PolarHBondContact O-N 3.47Å; T569-L571 PolarHBondContact O-N 3.37Å; L571-P579 HydrophobicContact CD1-CG 4.45Å; L571-P579 HydrophobicContact CD2-CG 3.96Å; L571-P579 HydrophobicContact CG-CG 4.44Å
572	T	82.4	Confident	75.6	Confident	96 Å²	96	51 Å²	51	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-92.6	-33.5	-176.4	54.4	0	0	0	0	113.5	L568 T569 M570	L568-T572 VanDerWaalsContact O-CB 3.29Å; L568-T572 WeakPolarHBondContact O-CB 3.49Å; L568-T572 WeakPolarHBondContact O-CG2 3.07Å; L568-T572 PolarHBondContact O-N 2.79Å; L568-T572 PolarHBondContact O-OG1 3.14Å; T569-T572 PolarHBondContact O-N 3.37Å; T569-T572 PolarHBondContact O-OG1 3.09Å; M570-T572 VanDerWaalsContact C-N 3.35Å; M570-T572 PolarHBondContact O-N 3.3Å
573	K	84.9	Confident	73.6	Confident	117 Å²	117	53.1 Å²	53.1	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-102.8	-18.5	-175.3	-62.7	-165.4	179.2	-176.2	0	113.8	T488 T569 P575	T488-K573 HydrophobicContact CG2-CB 3.89Å; T488-K573 HydrophobicContact CG2-CD 3.65Å; T488-K573 HydrophobicContact CG2-CG 4.42Å; T569-K573 HydrophobicContact CG2-CB 4.4Å; T569-K573 HydrophobicContact CG2-CD 3.62Å; T569-K573 HydrophobicContact CG2-CG 3.98Å; T569-K573 VanDerWaalsContact O-CB 3.3Å; T569-K573 WeakPolarHBondContact O-CB 3.36Å; T569-K573 PolarHBondContact O-N 3.33Å; K573-P575 WeakPolarHBondContact O-CD 3.22Å
574	I	81	Confident	71.6	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.036	27%	0.274	C	S	.	.			trans	-120.4	87	178.8	-53.4	164.8	0	0	0	107.4	M473 A485 I489 M570 T576 C577	M473-I574 HydrophobicContact CB-CG2 4.37Å; M473-I574 HydrophobicContact CE-CG2 4.01Å; M473-I574 HydrophobicContact SD-CG2 4.14Å; A485-I574 HydrophobicContact CB-CD1 3.74Å; A485-I574 HydrophobicContact CB-CG1 4.01Å; A485-I574 HydrophobicContact CB-CG2 4.18Å; I489-I574 HydrophobicContact CD1-CD1 4.41Å; I489-I574 HydrophobicContact CG1-CD1 4.42Å; M570-I574 HydrophobicContact CE-CD1 4.25Å; M570-I574 CarbonylContact O-C 3.52Å; M570-I574 WeakPolarHBondContact O-CA 3.11Å; M570-I574 WeakPolarHBondContact O-CB 3.23Å; M570-I574 PolarHBondContact O-N 3.36Å; M570-I574 VanDerWaalsContact O-O 3.11Å; M570-I574 HydrophobicContact SD-CD1 3.48Å; M570-I574 WeakPolarHBondContact SD-CD1 3.47Å; I574-T576 PolarHBondContact O-N 3.1Å; I574-C577 HydrophobicContact CB-CB 4.04Å; I574-C577 HydrophobicContact CG2-CB 3.78Å; I574-C577 PolarHBondContact O-N 3.14Å
575	P	63.7	Low	69.2	Low	121 Å²	121	49.5 Å²	49.5	79%	0.786	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	-168.7	-22.2	31.8	0	0	0	114.1	K573	K573-P575 WeakPolarHBondContact O-CD 3.22Å
576	T	69.3	Low	66.7	Low	13 Å²	13	48.2 Å²	48.2	8%	0.08	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	9.9	-179.6	54.7	0	0	0	0	113.8	M473 E474 V526 L528 I574	M473-T576 WeakPolarHBondContact CA-O 3.11Å; E474-T576 PolarHBondContact O-OG1 3.01Å; V526-T576 WeakPolarHBondContact CG1-O 3.37Å; L528-T576 HydrophobicContact CD2-CG2 3.39Å; L528-T576 HydrophobicContact CG-CG2 3.9Å; I574-T576 PolarHBondContact O-N 3.1Å
577	C	74.3	Confident	64	Low	9 Å²	9	54.4 Å²	54.4	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.9	177	99.4	0	0	0	0	111.1	T472 M473 M570 I574	T472-C577 CarbonylContact O-C 3.51Å; T472-C577 WeakPolarHBondContact O-CA 3.26Å; M473-C577 HydrophobicContact CB-CB 4.17Å; M570-C577 PolarHBondContact O-SG 3.29Å; I574-C577 HydrophobicContact CB-CB 4.04Å; I574-C577 HydrophobicContact CG2-CB 3.78Å; I574-C577 PolarHBondContact O-N 3.14Å
578	M	72.8	Confident	61.5	Low	62 Å²	62	60 Å²	60	31%	0.305	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126	164.7	179.2	112.1	145	0	0	109.3	F471 T472 L524 G525 V526 Q580	F471-M578 WeakPolarHBondContact CA-O 3.47Å; T472-M578 PolarHBondContact N-O 3.42Å; T472-M578 PolarHBondContact O-N 3.14Å; L524-M578 WeakPolarHBondContact O-CB 3.48Å; L524-M578 VanDerWaalsContact O-CE 3.31Å; L524-M578 WeakPolarHBondContact O-CE 3.28Å; L524-M578 WeakPolarHBondContact O-CG 3.14Å; G525-M578 WeakPolarHBondContact CA-SD 3.36Å; V526-M578 HydrophobicContact CG2-CB 4.13Å; M578-Q580 PolarHBondContact O-N 3.32Å
579	P	63.8	Low	58.9	Low	32 Å²	32	61.8 Å²	61.8	21%	0.208	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.1	168.8	30.4	-33.1	0	0	0	110	F471 L571	F471-P579 HydrophobicContact CD1-CB 3.86Å; F471-P579 HydrophobicContact CE1-CB 3.7Å; L571-P579 HydrophobicContact CD1-CG 4.45Å; L571-P579 HydrophobicContact CD2-CG 3.96Å; L571-P579 HydrophobicContact CG-CG 4.44Å
580	Q	60.9	Low	56.1	Low	35 Å²	35	70.6 Å²	70.6	16%	0.164	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	95.7	164.5	-67.2	-178.5	-3	0	0	107.6	K470 M578 K582	K470-Q580 HydrophobicContact CB-CB 4.26Å; K470-Q580 WeakPolarHBondContact CB-O 3.39Å; K470-Q580 PolarHBondContact N-O 2.97Å; K470-Q580 CarbonylContact O-C 3.45Å; K470-Q580 WeakPolarHBondContact O-CA 3.45Å; K470-Q580 PolarHBondContact O-N 3.35Å; M578-Q580 PolarHBondContact O-N 3.32Å; Q580-K582 PolarHBondContact O-N 2.69Å
581	W	49.5	Very low	54.7	Low	90 Å²	90	74.1 Å²	74.1	34%	0.341	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118	173.9	-79.1	66	0	0	0	108.8	N124 L469 A563 N567	N124-W581 PolarHBondContact ND2-O 3.08Å; L469-W581 HydrophobicContact CD2-CD2 3.89Å; L469-W581 HydrophobicContact CD2-CE3 3.96Å; L469-W581 HydrophobicContact CD2-CH2 3.47Å; L469-W581 VanDerWaalsContact CD2-CH2 3.47Å; L469-W581 HydrophobicContact CD2-CZ2 3.25Å; L469-W581 HydrophobicContact CD2-CZ3 3.79Å; A563-W581 HydrophobicContact CB-CH2 3.64Å; A563-W581 HydrophobicContact CB-CZ2 4.27Å; N567-W581 VanDerWaalsContact CG-CZ2 3.41Å; N567-W581 WeakPolarHBondContact ND2-CZ2 3.46Å; N567-W581 PolarHBondContact ND2-NE1 3.09Å; N567-W581 WeakPolarHBondContact OD1-CZ2 3.36Å; N567-W581 PolarHBondContact OD1-NE1 2.9Å; N567-W581 VanDerWaalsContact OD1-NE1 3.08Å
582	K	47.9	Very low	53.3	Low	27 Å²	27	73.3 Å²	73.3	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	107.4	171.7	-153.7	-178.1	-169.4	-168.5	0	108.3	I468 Q580 E584	I468-K582 WeakPolarHBondContact CB-O 2.97Å; I468-K582 PolarHBondContact N-O 3.35Å; I468-K582 VanDerWaalsContact O-O 3.08Å; Q580-K582 PolarHBondContact O-N 2.69Å; K582-E584 HydrophobicContact CD-CG 3.97Å; K582-E584 VanDerWaalsContact CD-OE1 3.25Å; K582-E584 WeakPolarHBondContact CD-OE1 3.37Å; K582-E584 WeakPolarHBondContact CE-OE1 3.39Å; K582-E584 HydrophobicContact CG-CG 3.95Å; K582-E584 IonicContact NZ-OE1 2.67Å; K582-E584 PolarHBondContact NZ-OE1 3.46Å
583	T	40.3	Very low	51.7	Low	44 Å²	44	72 Å²	72	27%	0.27	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105	165.2	-32.7	0	0	0	0	106.4	R467 W585	R467-T583 HydrophobicContact CG-CG2 4.48Å; T583-W585 HydrophobicContact CG2-CZ2 4.39Å
584	E	38.7	Very low	49.7	Very low	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-90.4	125.2	175	-71	-160.4	-165.4	0	0	109.6	Y193 P465 K582 H586	Y193-E584 WeakPolarHBondContact CB-OE2 3.29Å; Y193-E584 WeakPolarHBondContact CD2-OE1 3.19Å; P465-E584 WeakPolarHBondContact CB-O 3.47Å; K582-E584 HydrophobicContact CD-CG 3.97Å; K582-E584 VanDerWaalsContact CD-OE1 3.25Å; K582-E584 WeakPolarHBondContact CD-OE1 3.37Å; K582-E584 WeakPolarHBondContact CE-OE1 3.39Å; K582-E584 HydrophobicContact CG-CG 3.95Å; K582-E584 IonicContact NZ-OE1 2.67Å; K582-E584 PolarHBondContact NZ-OE1 3.46Å; E584-H586 IonicContact OE2-CE1 2.54Å; E584-H586 PolarHBondContact OE2-CE1 3.14Å; E584-H586 IonicContact OE2-NE2 2.8Å
585	W	32.7	Very low	47.8	Very low	66 Å²	66	73.3 Å²	73.3	25%	0.25	39%	0.385	C	S	.	.			trans	-108	101.1	177.1	-65.2	78.2	0	0	0	107.6	T80 Y123 P465 N553 T583	T80-W585 HydrophobicContact CG2-CH2 4.46Å; T80-W585 HydrophobicContact CG2-CZ2 3.95Å; Y123-W585 HydrophobicContact CD2-CB 4.03Å; Y123-W585 AromaticContact CD2-CD1 3.13Å; Y123-W585 AromaticContact CD2-CG 3.65Å; Y123-W585 HydrophobicContact CD2-CG 3.65Å; Y123-W585 AromaticContact CD2-NE1 3.73Å; Y123-W585 HydrophobicContact CE2-CB 4.05Å; Y123-W585 AromaticContact CE2-CD1 3.63Å; Y123-W585 HydrophobicContact CE2-CD2 4.32Å; Y123-W585 AromaticContact CE2-CG 3.73Å; Y123-W585 HydrophobicContact CE2-CG 3.73Å; Y123-W585 AromaticContact CG-CD1 3.79Å; P465-W585 HydrophobicContact CB-CE3 4.46Å; N553-W585 HydrophobicContact CB-CE3 4.41Å; N553-W585 HydrophobicContact CB-CH2 3.68Å; N553-W585 HydrophobicContact CB-CZ3 3.43Å; N553-W585 VanDerWaalsContact CB-CZ3 3.43Å; T583-W585 HydrophobicContact CG2-CZ2 4.39Å
586	H	34.2	Very low	46.7	Very low	40 Å²	40	70.1 Å²	70.1	19%	0.185	36%	0.359	C	S	.	.			trans	-78.1	124.6	168.6	-56.8	-56.9	0	0	0	108.4	F462 P465 E584 K588	F462-H586 AromaticContact CD2-NE2 3.84Å; P465-H586 WeakPolarHBondContact CG-O 3.36Å; E584-H586 IonicContact OE2-CE1 2.54Å; E584-H586 PolarHBondContact OE2-CE1 3.14Å; E584-H586 IonicContact OE2-NE2 2.8Å; H586-K588 PolarHBondContact O-N 3.04Å; H586-K588 VanDerWaalsContact O-N 3.12Å
587	V	29.5	Very low	45.1	Very low	133 Å²	133	74.1 Å²	74.1	81%	0.806	38%	0.379	S	S	*	.			trans	-60.4	119	169.2	-177.7	0	0	0	0	106.5	Q589	V587-Q589 PolarHBondContact O-N 2.91Å
588	K	30.4	Very low	42.9	Very low	145 Å²	145	79.2 Å²	79.2	63%	0.63	40%	0.403	S	S	*	.			trans	-54.6	112	173.6	-133.7	175.8	-172.6	173.2	0	106.2	E464 H586 T590	E464-K588 IonicContact OE1-NZ 3.54Å; H586-K588 PolarHBondContact O-N 3.04Å; H586-K588 VanDerWaalsContact O-N 3.12Å; K588-T590 PolarHBondContact O-N 3.28Å
589	Q	28.9	Very low	40.4	Very low	146 Å²	146	80.6 Å²	80.6	68%	0.682	41%	0.411	S	S	*	.			trans	-65.5	105.3	171	-77.3	-174.1	-14.6	0	0	106	V587	V587-Q589 PolarHBondContact O-N 2.91Å
590	T	27.7	Very low	38.2	Very low	208 Å²	208	85 Å²	85	100%	1.276	43%	0.43	S	S	*	.			trans	-63.4	0	171.1	45.9	0	0	0	0	111.3	K588	K588-T590 PolarHBondContact O-N 3.28Å

Retrieved 590 of 590 residues in 279 ms (Link to these results)

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