A0A5K4F4L2_SCHMA Loading...

FAD-binding PCMH-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4L2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 650 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	31.1	Very low	30.2	Very low	232 Å²	232	144.5 Å²	144.5	100%	1.143	74%	0.741	S	S	*	*				0	5.6	0	-96.6	178.8	172.1	0	0	112.7
2	D	25	Very low	30.1	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	74%	0.737	S	S	*	*			trans	-114.7	28.8	-177.2	-61.9	-46	0	0	0	115.2
3	S	29.3	Very low	30.1	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	73%	0.734	S	S	*	*	S	Bend	trans	-121.2	6.9	-178.9	72.2	0	0	0	0	115.5
4	V	31.5	Very low	30.2	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	74%	0.735	S	S	*	*	S	Bend	trans	-106.5	-14.8	-175.3	-176.9	0	0	0	0	112.9
5	Y	28	Very low	30.1	Very low	204 Å²	204	143.9 Å²	143.9	80%	0.8	73%	0.733	S	S	*	*	S	Bend	trans	-87	-9.9	178.7	-87.1	-83	0	0	0	114.9	N7	Y5-N7 PolarHBondContact O-N 2.96Å
6	S	32.1	Very low	29.9	Very low	82 Å²	82	145.8 Å²	145.8	57%	0.573	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-15.5	-177.8	-170.5	0	0	0	0	114.8
7	N	32.2	Very low	29.6	Very low	117 Å²	117	146.1 Å²	146.1	63%	0.626	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-10.8	-175.2	-79.5	-6.4	0	0	0	114	Y5	Y5-N7 PolarHBondContact O-N 2.96Å
8	K	31.5	Very low	29.6	Very low	169 Å²	169	150.6 Å²	150.6	74%	0.735	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-34	179.6	-132.9	178.8	-179.2	-174.2	0	112.4
9	E	29	Very low	29.4	Very low	153 Å²	153	150 Å²	150	72%	0.715	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-12.5	177.7	-74.9	-177	157.2	0	0	114	N13	E9-N13 PolarHBondContact O-ND2 3.43Å
10	M	31.8	Very low	29.4	Very low	123 Å²	123	150.3 Å²	150.3	61%	0.606	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-18.9	172.4	-111.8	-173.9	-173.7	0	0	113.1	F14	M10-F14 WeakPolarHBondContact O-CD2 3.48Å
11	I	31.2	Very low	29.1	Very low	117 Å²	117	149.2 Å²	149.2	60%	0.6	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-29.3	-177.5	-65.6	173.5	0	0	0	111.3
12	D	28.8	Very low	28.9	Very low	129 Å²	129	146 Å²	146	69%	0.69	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-9.4	-178.9	-68.2	-23.5	0	0	0	113.8
13	N	30	Very low	28.8	Very low	131 Å²	131	141.7 Å²	141.7	70%	0.701	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	8.4	-179.9	-76.2	-38.3	0	0	0	114.5	E9	E9-N13 PolarHBondContact O-ND2 3.43Å
14	F	31.8	Very low	28.7	Very low	170 Å²	170	143.5 Å²	143.5	75%	0.746	74%	0.735	S	S	*	*	S	Bend	trans	-115.8	11.7	178.6	-89.4	-77.1	0	0	0	114.3	M10	M10-F14 WeakPolarHBondContact O-CD2 3.48Å
15	I	28.6	Very low	28.4	Very low	139 Å²	139	145.4 Å²	145.4	71%	0.713	74%	0.741	S	S	*	*			trans	-99.7	70.7	169.2	-50.9	177.3	0	0	0	107.4
16	E	26.8	Very low	28.2	Very low	173 Å²	173	142.1 Å²	142.1	81%	0.808	74%	0.737	S	S	*	*			trans	-85.5	105.6	158.6	-87.6	-174.9	165.6	0	0	107.7	Y18	E16-Y18 PolarHBondContact O-N 3.46Å
17	D	25.2	Very low	27.8	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	75%	0.753	S	S	*	*			trans	12	92.5	152.2	-60.9	-29.8	0	0	0	116.3
18	Y	29.4	Very low	27.4	Very low	227 Å²	227	142.9 Å²	142.9	89%	0.89	76%	0.756	S	S	*	*			trans	-91.9	96.1	155.4	-97.6	-92.3	0	0	0	108.6	E16 D20	E16-Y18 PolarHBondContact O-N 3.46Å; Y18-D20 PolarHBondContact O-N 3.42Å
19	D	25.8	Very low	27	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	76%	0.76	S	S	*	*			trans	-76.8	100.6	174.4	-144.8	-3.1	0	0	0	109	N21	D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.4Å
20	D	28.2	Very low	26.8	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	77%	0.768	S	S	*	*			trans	-78.3	78.1	173.2	-103.4	-12.7	0	0	0	109.2	Y18	Y18-D20 PolarHBondContact O-N 3.42Å
21	N	24.2	Very low	26.3	Very low	128 Å²	128	139.1 Å²	139.1	68%	0.684	78%	0.776	S	S	*	*			trans	-137.4	85.8	165.5	-92.4	-40.1	0	0	0	109.8	D19	D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.4Å
22	N	25.8	Very low	26.1	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	78%	0.777	S	S	*	*			trans	-153.6	110.7	146.3	-94.3	-34.8	0	0	0	109.5
23	G	24.7	Very low	26.1	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	77%	0.773	S	S	*	*			trans	-61.7	141	177.4	0	0	0	0	0	112
24	I	26.8	Very low	26.3	Very low	138 Å²	138	135.3 Å²	135.3	71%	0.708	77%	0.766	S	S	*	*			trans	-126.1	106.9	167.4	-64.4	177.5	0	0	0	106.5	D26	I24-D26 HydrophobicContact CG2-CB 4.24Å; I24-D26 WeakPolarHBondContact CG2-OD2 3.4Å
25	N	24.1	Very low	26.3	Very low	163 Å²	163	132.4 Å²	132.4	87%	0.872	76%	0.759	S	S	*	*			trans	-64.5	123.7	151.5	-85.2	-25.2	0	0	0	106.9
26	D	25.1	Very low	26.5	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	76%	0.761	S	S	*	*			trans	-143	93.9	158.8	-88	-33.7	0	0	0	109.7	I24 A28	I24-D26 HydrophobicContact CG2-CB 4.24Å; I24-D26 WeakPolarHBondContact CG2-OD2 3.4Å; D26-A28 PolarHBondContact O-N 3.04Å
27	S	22.2	Very low	27.1	Very low	129 Å²	129	129.8 Å²	129.8	90%	0.902	74%	0.743	S	S	*	*			trans	-80.4	94.7	150	57.3	0	0	0	0	107.2
28	A	24.2	Very low	27.6	Very low	85 Å²	85	129.6 Å²	129.6	70%	0.702	74%	0.737	S	S	*	*			trans	-123.9	112.8	168.9	0	0	0	0	0	108.8	D26	D26-A28 PolarHBondContact O-N 3.04Å
29	T	23.4	Very low	27.7	Very low	133 Å²	133	127.6 Å²	127.6	82%	0.816	74%	0.736	S	S	*	*			trans	-43.1	126.5	174.5	27.5	0	0	0	0	113.1	T31	T29-T31 PolarHBondContact O-N 3.45Å; T29-T31 VanDerWaalsContact O-N 3.09Å
30	A	23.8	Very low	28.3	Very low	106 Å²	106	128.4 Å²	128.4	88%	0.876	73%	0.733	S	S	*	*			trans	-61.7	106.3	172.1	0	0	0	0	0	110.6
31	T	22.7	Very low	28.8	Very low	127 Å²	127	127.2 Å²	127.2	78%	0.779	72%	0.722	S	S	*	*			trans	-110.5	124.3	155.6	14.9	0	0	0	0	106.1	T29 P33	T29-T31 PolarHBondContact O-N 3.45Å; T29-T31 VanDerWaalsContact O-N 3.09Å; T31-P33 WeakPolarHBondContact O-CD 3.29Å
32	T	25.9	Very low	29.3	Very low	99 Å²	99	130.7 Å²	130.7	61%	0.607	74%	0.735	S	S	*	*			trans	-66.1	121.3	-176.2	25.7	0	0	0	0	109.9	D34	T32-D34 PolarHBondContact O-N 3.46Å; T32-D34 VanDerWaalsContact O-N 3.17Å
33	P	29	Very low	29.7	Very low	96 Å²	96	131.3 Å²	131.3	62%	0.623	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-1.4	-177.7	-6.2	19.6	0	0	0	114.4	T31 D35	T31-P33 WeakPolarHBondContact O-CD 3.29Å; P33-D35 VanDerWaalsContact C-N 3.29Å; P33-D35 PolarHBondContact O-N 3.41Å
34	D	34.3	Very low	30.6	Very low	103 Å²	103	130.2 Å²	130.2	55%	0.551	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-20.5	-176.3	-77.7	-17.8	0	0	0	112.2	T32	T32-D34 PolarHBondContact O-N 3.46Å; T32-D34 VanDerWaalsContact O-N 3.17Å
35	D	32.2	Very low	31.2	Very low	109 Å²	109	132 Å²	132	58%	0.583	71%	0.71	S	S	*	*	S	Bend	trans	-87.7	-21.6	-176.6	-58.5	-38.5	0	0	0	113.3	P33 E37	P33-D35 VanDerWaalsContact C-N 3.29Å; P33-D35 PolarHBondContact O-N 3.41Å; D35-E37 VanDerWaalsContact C-N 3.32Å; D35-E37 PolarHBondContact O-N 3.44Å
36	E	33.5	Very low	31.8	Very low	162 Å²	162	132.4 Å²	132.4	76%	0.757	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-9.4	178.6	-70	-173.1	174	0	0	113.6
37	E	38.9	Very low	32.8	Very low	94 Å²	94	131.2 Å²	131.2	44%	0.439	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-17.8	176.5	-89.3	-167	-167.2	0	0	113.6	D35 K82 K85	D35-E37 VanDerWaalsContact C-N 3.32Å; D35-E37 PolarHBondContact O-N 3.44Å; E37-K82 IonicContact OE1-NZ 3.8Å; E37-K82 PolarHBondContact OE1-NZ 2.95Å; E37-K82 IonicContact OE2-NZ 2.75Å; E37-K82 PolarHBondContact OE2-NZ 3.37Å; E37-K85 IonicContact OE2-NZ 3.7Å; E37-K85 PolarHBondContact OE2-NZ 2.94Å
38	E	34.8	Very low	34	Very low	147 Å²	147	129.2 Å²	129.2	69%	0.687	68%	0.676	S	S	*	*	S	Bend	trans	-83	-24.5	-176.4	-71.9	-171	165.4	0	0	113.7	K40	E38-K40 VanDerWaalsContact C-N 3.31Å; E38-K40 PolarHBondContact O-N 3.35Å
39	E	31.9	Very low	35.2	Very low	186 Å²	186	130.7 Å²	130.7	87%	0.869	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-1.6	-178.4	-72.4	-169.4	160.9	0	0	114.8
40	K	38.4	Very low	36.7	Very low	156 Å²	156	129.7 Å²	129.7	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-5.7	-179.7	-79.2	-177	178.2	175.3	0	115.2	E38 E42 K43	E38-K40 VanDerWaalsContact C-N 3.31Å; E38-K40 PolarHBondContact O-N 3.35Å; K40-E42 VanDerWaalsContact C-N 3.33Å; K40-E42 PolarHBondContact O-N 3.13Å; K40-K43 PolarHBondContact O-N 2.99Å
41	E	38.5	Very low	38.9	Very low	130 Å²	130	126.7 Å²	126.7	61%	0.607	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	-163	-65.9	-168	157.9	0	0	116.5
42	E	35.5	Very low	41.4	Very low	201 Å²	201	121.5 Å²	121.5	94%	0.939	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-8.2	-178	-74.2	-172	161.5	0	0	115.1	K40	K40-E42 VanDerWaalsContact C-N 3.33Å; K40-E42 PolarHBondContact O-N 3.13Å
43	K	34.4	Very low	44	Very low	177 Å²	177	121 Å²	121	77%	0.77	59%	0.592	S	S	*	*	S	Bend	trans	-93.1	-7.5	176.1	-84.6	-175.9	175.8	178.4	0	114.7	K40 E45	K40-K43 PolarHBondContact O-N 2.99Å; K43-E45 PolarHBondContact O-N 2.68Å
44	D	43.1	Very low	46.8	Very low	58 Å²	58	118.9 Å²	118.9	31%	0.31	57%	0.573	S	S	.	*	H	α-helix	trans	-82.9	-10.8	-161.8	-78.1	-10.9	0	0	0	116.2	K48	D44-K48 HydrophobicContact CB-CD 4.4Å; D44-K48 WeakPolarHBondContact O-CB 3.48Å; D44-K48 VanDerWaalsContact O-CD 3.28Å; D44-K48 WeakPolarHBondContact O-CD 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.17Å; D44-K48 IonicContact OD2-NZ 3.56Å
45	E	40	Very low	49.3	Very low	174 Å²	174	114 Å²	114	81%	0.813	55%	0.547	S	S	*	.	H	α-helix	trans	-76.9	-35.3	-173.8	-75.2	-168.4	162.7	0	0	114.2	K43	K43-E45 PolarHBondContact O-N 2.68Å
46	E	35.1	Very low	52	Low	173 Å²	173	113.3 Å²	113.3	81%	0.808	54%	0.54	S	S	*	.	H	α-helix	trans	-77.2	-31	174.3	-83	-174.5	155.5	0	0	112.7
47	D	46.6	Very low	54.8	Low	110 Å²	110	110.1 Å²	110.1	59%	0.588	53%	0.525	S	S	*	.	H	α-helix	trans	-72.6	-31.6	177.2	-87.9	-22.1	0	0	0	112.3	D49 D51	D47-D49 PolarHBondContact O-N 2.75Å; D47-D51 WeakPolarHBondContact O-CB 3.13Å; D47-D51 PolarHBondContact O-N 3.29Å; D47-D51 VanDerWaalsContact O-N 3.16Å
48	K	47.4	Very low	57.3	Low	88 Å²	88	105.6 Å²	105.6	38%	0.383	50%	0.504	S	S	.	.	H	α-helix	trans	-67.4	-33	-178.1	-83.6	168.7	-174.3	156	0	114.4	D44 V52	D44-K48 HydrophobicContact CB-CD 4.4Å; D44-K48 WeakPolarHBondContact O-CB 3.48Å; D44-K48 VanDerWaalsContact O-CD 3.28Å; D44-K48 WeakPolarHBondContact O-CD 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.17Å; D44-K48 IonicContact OD2-NZ 3.56Å; K48-V52 WeakPolarHBondContact O-CG2 3.34Å; K48-V52 PolarHBondContact O-N 3.38Å
49	D	49.6	Very low	60.2	Low	116 Å²	116	99 Å²	99	62%	0.62	48%	0.475	S	S	*	.	H	α-helix	trans	-78.9	-34.5	-179.4	-112.5	9.9	0	0	0	112.2	D47 D51 V52 N53	D47-D49 PolarHBondContact O-N 2.75Å; D49-D51 VanDerWaalsContact C-N 3.31Å; D49-V52 PolarHBondContact O-N 3.3Å; D49-N53 PolarHBondContact O-N 3.04Å; D49-N53 PolarHBondContact O-ND2 3.47Å
50	N	55.5	Low	63.2	Low	112 Å²	112	94.8 Å²	94.8	60%	0.599	46%	0.458	S	S	*	.	H	α-helix	trans	-62.8	-40.1	170.6	-79.1	-29	0	0	0	111.5	V52 N53 F54	N50-V52 PolarHBondContact O-N 3.46Å; N50-N53 PolarHBondContact O-N 3.19Å; N50-F54 WeakPolarHBondContact O-CB 3.28Å; N50-F54 PolarHBondContact O-N 3.48Å
51	D	70	Confident	65.9	Low	43 Å²	43	89.7 Å²	89.7	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-67.8	-33.4	-179.2	-164	29.9	0	0	0	112.8	D47 D49 F54 I55	D47-D51 WeakPolarHBondContact O-CB 3.13Å; D47-D51 PolarHBondContact O-N 3.29Å; D47-D51 VanDerWaalsContact O-N 3.16Å; D49-D51 VanDerWaalsContact C-N 3.31Å; D51-F54 PolarHBondContact O-N 3.43Å; D51-I55 VanDerWaalsContact O-CG1 3.31Å; D51-I55 WeakPolarHBondContact O-CG1 3.37Å; D51-I55 PolarHBondContact O-N 3.1Å
52	V	74.4	Confident	68.6	Low	18 Å²	18	83.5 Å²	83.5	11%	0.109	41%	0.408	C	S	.	.	H	α-helix	trans	-66.4	-48.3	175.9	-158.6	0	0	0	0	111.4	K48 D49 N50 F54 I55 Q56 L74	K48-V52 WeakPolarHBondContact O-CG2 3.34Å; K48-V52 PolarHBondContact O-N 3.38Å; D49-V52 PolarHBondContact O-N 3.3Å; N50-V52 PolarHBondContact O-N 3.46Å; V52-F54 PolarHBondContact O-N 2.63Å; V52-I55 PolarHBondContact O-N 3.37Å; V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CB 3.39Å; V52-Q56 VanDerWaalsContact O-CG 3.3Å; V52-Q56 WeakPolarHBondContact O-CG 3.49Å; V52-Q56 PolarHBondContact O-N 3.44Å; V52-L74 HydrophobicContact CG1-CD2 4.23Å
53	N	81.9	Confident	71.6	Confident	87 Å²	87	76.1 Å²	76.1	47%	0.465	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-40.3	-179.3	-79	-39.1	0	0	0	110	D49 N50 Q56 Q57	D49-N53 PolarHBondContact O-N 3.04Å; D49-N53 PolarHBondContact O-ND2 3.47Å; N50-N53 PolarHBondContact O-N 3.19Å; N53-Q56 PolarHBondContact O-N 3.31Å; N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.27Å; N53-Q57 PolarHBondContact O-N 2.8Å
54	F	86.8	Confident	74.6	Confident	53 Å²	53	74.3 Å²	74.3	23%	0.232	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-53.9	175.4	176.8	-105.4	0	0	0	112.7	N50 D51 V52 Q56 Q57 L58 L647 I650	N50-F54 WeakPolarHBondContact O-CB 3.28Å; N50-F54 PolarHBondContact O-N 3.48Å; D51-F54 PolarHBondContact O-N 3.43Å; V52-F54 PolarHBondContact O-N 2.63Å; F54-Q56 VanDerWaalsContact C-N 3.28Å; F54-Q56 PolarHBondContact O-N 3.09Å; F54-Q57 PolarHBondContact O-N 3.03Å; F54-Q57 VanDerWaalsContact O-N 3.17Å; F54-L58 PolarHBondContact O-N 3.02Å; F54-L647 HydrophobicContact CE1-CD2 4.35Å; F54-L647 WeakPolarHBondContact CE2-O 3.43Å; F54-L647 HydrophobicContact CZ-CB 3.93Å; F54-L647 HydrophobicContact CZ-CD2 3.71Å; F54-L647 HydrophobicContact CZ-CG 4.22Å; F54-I650 HydrophobicContact CD2-CG2 4.08Å; F54-I650 HydrophobicContact CE2-CB 3.99Å; F54-I650 HydrophobicContact CE2-CG2 3.97Å
55	I	86.8	Confident	77.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-36.8	-179.3	-60.4	167.4	0	0	0	110.8	D51 V52 L58 G59 L74 R88 L90 E131	D51-I55 VanDerWaalsContact O-CG1 3.31Å; D51-I55 WeakPolarHBondContact O-CG1 3.37Å; D51-I55 PolarHBondContact O-N 3.1Å; V52-I55 PolarHBondContact O-N 3.37Å; I55-L58 WeakPolarHBondContact O-CB 3.36Å; I55-L58 PolarHBondContact O-N 3.46Å; I55-G59 PolarHBondContact O-N 3.37Å; I55-L74 HydrophobicContact CB-CD1 4.21Å; I55-L74 HydrophobicContact CG2-CD1 3.38Å; I55-R88 HydrophobicContact CD1-CB 3.75Å; I55-L90 HydrophobicContact CG2-CD2 3.77Å; I55-L90 HydrophobicContact CG2-CG 4.12Å; I55-E131 HydrophobicContact CD1-CB 3.94Å; I55-E131 HydrophobicContact CD1-CG 3.95Å; I55-E131 HydrophobicContact CG1-CB 4.46Å
56	Q	89.5	Confident	79.9	Confident	95 Å²	95	68.3 Å²	68.3	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-43.9	174.8	-76.1	180	1.2	0	0	112.2	V52 N53 F54 L58 G59 I60 L74	V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CB 3.39Å; V52-Q56 VanDerWaalsContact O-CG 3.3Å; V52-Q56 WeakPolarHBondContact O-CG 3.49Å; V52-Q56 PolarHBondContact O-N 3.44Å; N53-Q56 PolarHBondContact O-N 3.31Å; F54-Q56 VanDerWaalsContact C-N 3.28Å; F54-Q56 PolarHBondContact O-N 3.09Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; Q56-G59 WeakPolarHBondContact O-CA 3.07Å; Q56-G59 PolarHBondContact O-N 2.88Å; Q56-G59 VanDerWaalsContact O-N 3.16Å; Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.16Å; Q56-L74 HydrophobicContact CG-CD2 4.43Å
57	Q	91.1	Very high	82.8	Confident	94 Å²	94	61.7 Å²	61.7	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-42.2	175.2	-73.4	-179.4	15.5	0	0	111.7	N53 F54 G59 I60 E61 I650	N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.27Å; N53-Q57 PolarHBondContact O-N 2.8Å; F54-Q57 PolarHBondContact O-N 3.03Å; F54-Q57 VanDerWaalsContact O-N 3.17Å; Q57-G59 VanDerWaalsContact C-N 3.25Å; Q57-G59 PolarHBondContact O-N 3.16Å; Q57-I60 WeakPolarHBondContact O-CB 3.49Å; Q57-I60 PolarHBondContact O-N 3.45Å; Q57-I60 VanDerWaalsContact O-N 3.13Å; Q57-E61 PolarHBondContact O-N 3.36Å; Q57-I650 HydrophobicContact CB-CG2 3.87Å
58	L	92.5	Very high	85.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-41.8	172.7	-171.1	70.1	0	0	0	111.3	F54 I55 Q56 E61 L62 L90 M110 L112 Y646 L647 I650	F54-L58 PolarHBondContact O-N 3.02Å; I55-L58 WeakPolarHBondContact O-CB 3.36Å; I55-L58 PolarHBondContact O-N 3.46Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; L58-E61 PolarHBondContact O-N 2.94Å; L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 PolarHBondContact O-N 3.34Å; L58-L90 HydrophobicContact CB-CD1 4.29Å; L58-L90 HydrophobicContact CD2-CD1 3.85Å; L58-L90 HydrophobicContact CG-CD1 3.85Å; L58-M110 HydrophobicContact CD1-CE 3.48Å; L58-M110 VanDerWaalsContact CD1-CE 3.48Å; L58-M110 HydrophobicContact CG-CE 4.19Å; L58-L112 HydrophobicContact CD1-CD1 4.36Å; L58-L112 HydrophobicContact CD1-CD2 4.14Å; L58-L112 HydrophobicContact CD2-CD1 4.31Å; L58-L112 HydrophobicContact CD2-CD2 3.94Å; L58-L112 HydrophobicContact CG-CD1 4.31Å; L58-L112 HydrophobicContact CG-CD2 4.47Å; L58-Y646 HydrophobicContact CD1-CE1 4.37Å; L58-L647 HydrophobicContact CD1-CD2 3.82Å; L58-L647 HydrophobicContact CD2-CD2 4.32Å; L58-I650 HydrophobicContact CD1-CD1 3.38Å
59	G	94.4	Very high	87.4	Confident	7 Å²	7	63.3 Å²	63.3	7%	0.072	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-40.6	175.4	0	0	0	0	0	113.3	I55 Q56 Q57 L62 Q63	I55-G59 PolarHBondContact O-N 3.37Å; Q56-G59 WeakPolarHBondContact O-CA 3.07Å; Q56-G59 PolarHBondContact O-N 2.88Å; Q56-G59 VanDerWaalsContact O-N 3.16Å; Q57-G59 VanDerWaalsContact C-N 3.25Å; Q57-G59 PolarHBondContact O-N 3.16Å; G59-L62 PolarHBondContact O-N 2.89Å; G59-Q63 WeakPolarHBondContact O-CB 3.31Å; G59-Q63 PolarHBondContact O-N 2.65Å
60	I	95.2	Very high	89.6	Confident	98 Å²	98	57.9 Å²	57.9	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-45	175.6	-67.7	166	0	0	0	110.8	Q56 Q57 L62 Q63 K64	Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.16Å; Q57-I60 WeakPolarHBondContact O-CB 3.49Å; Q57-I60 PolarHBondContact O-N 3.45Å; Q57-I60 VanDerWaalsContact O-N 3.13Å; I60-L62 VanDerWaalsContact C-N 3.34Å; I60-Q63 PolarHBondContact O-N 3.35Å; I60-K64 WeakPolarHBondContact O-CG 3.43Å; I60-K64 PolarHBondContact O-N 2.9Å
61	E	95.4	Very high	91.6	Very high	50 Å²	50	59.2 Å²	59.2	23%	0.234	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-37.6	178.2	-76	-55.7	123.5	0	0	112.7	Q57 L58 K64 R65 M110	Q57-E61 PolarHBondContact O-N 3.36Å; L58-E61 PolarHBondContact O-N 2.94Å; E61-K64 IonicContact OE1-NZ 3.06Å; E61-K64 PolarHBondContact OE1-NZ 2.91Å; E61-R65 PolarHBondContact O-N 2.97Å; E61-R65 PolarHBondContact O-NH1 3.42Å; E61-R65 IonicContact OE2-CZ 2.6Å; E61-R65 IonicContact OE2-NH1 2.89Å; E61-R65 PolarHBondContact OE2-NH1 3.34Å; E61-R65 IonicContact OE2-NH2 2.68Å; E61-M110 HydrophobicContact CB-CE 3.79Å
62	L	96.4	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-45.3	173	-177.7	62.2	0	0	0	111	L58 G59 I60 K64 R65 I66 V72 L90 A106 A107 M110 L112 V134	L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 PolarHBondContact O-N 3.34Å; G59-L62 PolarHBondContact O-N 2.89Å; I60-L62 VanDerWaalsContact C-N 3.34Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å; L62-R65 PolarHBondContact O-N 3.26Å; L62-R65 VanDerWaalsContact O-N 3.09Å; L62-I66 HydrophobicContact CD1-CD1 4.01Å; L62-I66 HydrophobicContact CD1-CG1 4.23Å; L62-I66 HydrophobicContact CD2-CD1 4.28Å; L62-I66 HydrophobicContact CG-CD1 3.74Å; L62-I66 HydrophobicContact CG-CG1 4.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.35Å; L62-V72 HydrophobicContact CB-CG2 4.34Å; L62-V72 HydrophobicContact CD2-CG1 4.16Å; L62-V72 HydrophobicContact CD2-CG2 4.05Å; L62-V72 HydrophobicContact CG-CG2 4.02Å; L62-L90 HydrophobicContact CD2-CD1 3.96Å; L62-A106 HydrophobicContact CD1-CB 4Å; L62-A107 HydrophobicContact CD1-CB 4.22Å; L62-M110 VanDerWaalsContact CA-SD 3.55Å; L62-M110 HydrophobicContact CB-CE 4.2Å; L62-M110 HydrophobicContact CB-SD 3.87Å; L62-M110 HydrophobicContact CD1-SD 3.82Å; L62-M110 HydrophobicContact CG-SD 4.46Å; L62-L112 HydrophobicContact CD1-CD1 4.5Å; L62-L112 HydrophobicContact CD2-CD1 4.5Å; L62-V134 HydrophobicContact CD2-CB 4.45Å; L62-V134 HydrophobicContact CD2-CG1 3.95Å; L62-V134 HydrophobicContact CD2-CG2 3.6Å
63	Q	97.6	Very high	93.9	Very high	45 Å²	45	61.6 Å²	61.6	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-44.1	177.9	-174.7	68.8	74.6	0	0	111.6	G59 I60 R65 I66 G67 P70 K71 V72	G59-Q63 WeakPolarHBondContact O-CB 3.31Å; G59-Q63 PolarHBondContact O-N 2.65Å; I60-Q63 PolarHBondContact O-N 3.35Å; Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3.09Å; Q63-I66 PolarHBondContact O-N 3.1Å; Q63-G67 PolarHBondContact NE2-O 2.99Å; Q63-G67 PolarHBondContact O-N 2.94Å; Q63-G67 VanDerWaalsContact O-O 3.06Å; Q63-P70 PolarHBondContact NE2-O 2.88Å; Q63-P70 VanDerWaalsContact NE2-O 3.1Å; Q63-K71 VanDerWaalsContact OE1-CA 3.29Å; Q63-V72 HydrophobicContact CB-CB 4.42Å; Q63-V72 HydrophobicContact CB-CG2 4.05Å
64	K	96.8	Very high	94.3	Very high	139 Å²	139	60.4 Å²	60.4	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-56.9	-38.6	177.5	-73.4	172.9	-174.3	170.4	0	112.4	I60 E61 L62	I60-K64 WeakPolarHBondContact O-CG 3.43Å; I60-K64 PolarHBondContact O-N 2.9Å; E61-K64 IonicContact OE1-NZ 3.06Å; E61-K64 PolarHBondContact OE1-NZ 2.91Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å
65	R	96.7	Very high	94.3	Very high	102 Å²	102	60.3 Å²	60.3	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-78.9	-33.3	-179.5	-71.3	162.5	176.7	72.1	-0.7	112.9	E61 L62 Q63 A106 M110 Y646	E61-R65 PolarHBondContact O-N 2.97Å; E61-R65 PolarHBondContact O-NH1 3.42Å; E61-R65 IonicContact OE2-CZ 2.6Å; E61-R65 IonicContact OE2-NH1 2.89Å; E61-R65 PolarHBondContact OE2-NH1 3.34Å; E61-R65 IonicContact OE2-NH2 2.68Å; L62-R65 PolarHBondContact O-N 3.26Å; L62-R65 VanDerWaalsContact O-N 3.09Å; Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3.09Å; R65-A106 HydrophobicContact CB-CB 3.71Å; R65-M110 VanDerWaalsContact CD-SD 3.54Å; R65-Y646 PolarHBondContact NH2-OH 3.29Å
66	I	97.3	Very high	94.2	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-70.8	-39.4	176.3	-69.4	178	0	0	0	111.4	L62 Q63 P70 V72 V92 R102 T103 A106	L62-I66 HydrophobicContact CD1-CD1 4.01Å; L62-I66 HydrophobicContact CD1-CG1 4.23Å; L62-I66 HydrophobicContact CD2-CD1 4.28Å; L62-I66 HydrophobicContact CG-CD1 3.74Å; L62-I66 HydrophobicContact CG-CG1 4.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.35Å; Q63-I66 PolarHBondContact O-N 3.1Å; I66-P70 HydrophobicContact CG2-CG 4.3Å; I66-V72 HydrophobicContact CD1-CG2 3.81Å; I66-V92 HydrophobicContact CD1-CG1 4.16Å; I66-R102 PolarHBondContact O-NH1 2.74Å; I66-T103 HydrophobicContact CD1-CG2 3.9Å; I66-A106 HydrophobicContact CG1-CB 3.57Å
67	G	96.4	Very high	93.7	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	30%	0.303	S	S	.	.			trans	104	-144.6	-172.5	0	0	0	0	0	111.9	Q63	Q63-G67 PolarHBondContact NE2-O 2.99Å; Q63-G67 PolarHBondContact O-N 2.94Å; Q63-G67 VanDerWaalsContact O-O 3.06Å
68	I	95.1	Very high	92.9	Very high	152 Å²	152	61.7 Å²	61.7	78%	0.779	31%	0.311	S	S	*	.	S	Bend	trans	-78.8	-39.9	-172.6	-57	171.4	0	0	0	112.2
69	L	95.6	Very high	92	Very high	80 Å²	80	62.5 Å²	62.5	42%	0.419	32%	0.315	S	S	.	.	S	Bend	trans	-136.6	148.1	-179.9	-68.3	175.3	0	0	0	110.2	K71 R102	L69-K71 HydrophobicContact CD2-CG 4.15Å; L69-R102 PolarHBondContact O-NH1 3.17Å; L69-R102 PolarHBondContact O-NH2 3.29Å
70	P	96.9	Very high	90.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.013	33%	0.325	C	S	.	.	S	Bend	cis	-70.5	160.3	-3.9	30.3	-34.5	0	0	0	111.7	Q63 I66 V92 E99 T103	Q63-P70 PolarHBondContact NE2-O 2.88Å; Q63-P70 VanDerWaalsContact NE2-O 3.1Å; I66-P70 HydrophobicContact CG2-CG 4.3Å; P70-V92 HydrophobicContact CB-CB 4.25Å; P70-V92 HydrophobicContact CG-CB 3.99Å; P70-V92 HydrophobicContact CG-CG1 4.38Å; P70-V92 HydrophobicContact CG-CG2 4.43Å; P70-E99 HydrophobicContact CG-CB 4.21Å; P70-T103 WeakPolarHBondContact CG-OG1 3.44Å
71	K	97.1	Very high	89.3	Confident	139 Å²	139	60.9 Å²	60.9	60%	0.604	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-76.9	139.6	174.4	-70.1	-171.7	177.9	-177.6	0	110.1	Q63 L69	Q63-K71 VanDerWaalsContact OE1-CA 3.29Å; L69-K71 HydrophobicContact CD2-CG 4.15Å
72	V	97	Very high	88	Confident	25 Å²	25	61.5 Å²	61.5	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	170.7	-174.9	0	0	0	0	108.2	L62 Q63 I66 L90 V92	L62-V72 HydrophobicContact CB-CG2 4.34Å; L62-V72 HydrophobicContact CD2-CG1 4.16Å; L62-V72 HydrophobicContact CD2-CG2 4.05Å; L62-V72 HydrophobicContact CG-CG2 4.02Å; Q63-V72 HydrophobicContact CB-CB 4.42Å; Q63-V72 HydrophobicContact CB-CG2 4.05Å; I66-V72 HydrophobicContact CD1-CG2 3.81Å; V72-L90 HydrophobicContact CG1-CB 4.25Å; V72-L90 HydrophobicContact CG1-CD2 3.97Å; V72-L90 HydrophobicContact CG1-CG 4.48Å; V72-V92 HydrophobicContact CB-CG1 4.39Å; V72-V92 HydrophobicContact CG2-CG1 3.86Å
73	E	94.6	Very high	86.4	Confident	86 Å²	86	65.1 Å²	65.1	40%	0.402	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.6	-179.6	-63.4	176.8	176.8	0	0	109.6	C91 K93	E73-C91 PolarHBondContact N-O 3.31Å; E73-C91 PolarHBondContact O-N 3.48Å; E73-K93 IonicContact OE2-NZ 3.54Å; E73-K93 PolarHBondContact OE2-NZ 2.95Å
74	L	90.9	Very high	84.8	Confident	63 Å²	63	72.5 Å²	72.5	33%	0.33	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118	170.5	-172.1	69.9	0	0	0	109	V52 I55 Q56 R88	V52-L74 HydrophobicContact CG1-CD2 4.23Å; I55-L74 HydrophobicContact CB-CD1 4.21Å; I55-L74 HydrophobicContact CG2-CD1 3.38Å; Q56-L74 HydrophobicContact CG-CD2 4.43Å; L74-R88 HydrophobicContact CD1-CB 4.15Å
75	L	88	Confident	83.7	Confident	50 Å²	50	69.5 Å²	69.5	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.2	174.5	-177.7	66.5	0	0	0	109.6	I77 R88 I89 C91 L120 L135	L75-I77 HydrophobicContact CD2-CD1 4.21Å; L75-I77 HydrophobicContact CD2-CG1 4.06Å; L75-I77 HydrophobicContact CG-CG1 4.14Å; L75-R88 WeakPolarHBondContact O-CA 3.28Å; L75-I89 HydrophobicContact CB-CG1 4.15Å; L75-I89 HydrophobicContact CD2-CD1 4.43Å; L75-I89 HydrophobicContact CD2-CG1 4.5Å; L75-I89 PolarHBondContact N-O 3.03Å; L75-I89 PolarHBondContact O-N 2.98Å; L75-C91 HydrophobicContact CB-CB 3.85Å; L75-C91 HydrophobicContact CD2-CB 4.46Å; L75-L120 HydrophobicContact CD2-CD1 4.23Å; L75-L135 HydrophobicContact CD2-CD2 3.71Å
76	T	84.6	Confident	82.7	Confident	68 Å²	68	68.5 Å²	68.5	42%	0.417	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.1	171.4	-58.4	0	0	0	0	109.1	F86 I87 R88	T76-F86 HydrophobicContact CG2-CB 3.81Å; T76-F86 HydrophobicContact CG2-CD2 3.83Å; T76-F86 HydrophobicContact CG2-CG 3.98Å; T76-I87 WeakPolarHBondContact CA-O 3.26Å; T76-R88 HydrophobicContact CG2-CG 4.46Å
77	I	78.2	Confident	81.8	Confident	30 Å²	30	69.9 Å²	69.9	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.1	176.8	-58.4	-179.4	0	0	0	108.3	L75 F86 I87 I89	L75-I77 HydrophobicContact CD2-CD1 4.21Å; L75-I77 HydrophobicContact CD2-CG1 4.06Å; L75-I77 HydrophobicContact CG-CG1 4.14Å; I77-F86 CarbonylContact O-C 3.53Å; I77-F86 WeakPolarHBondContact O-CA 3.45Å; I77-F86 WeakPolarHBondContact O-CB 3.47Å; I77-I87 PolarHBondContact N-O 3.18Å; I77-I87 PolarHBondContact O-N 3.06Å; I77-I89 HydrophobicContact CD1-CD1 3.55Å; I77-I89 HydrophobicContact CD1-CG1 4.36Å; I77-I89 HydrophobicContact CG1-CD1 4.39Å
78	I	75.2	Confident	81.2	Confident	120 Å²	120	71 Å²	71	62%	0.615	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.3	175.2	-58.1	173.6	0	0	0	108.6	T80	I78-T80 PolarHBondContact O-N 3.46Å
79	L	72.5	Confident	80.9	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.089	31%	0.314	C	S	.	.			trans	-81.2	108.9	176.2	-57.2	-176.2	0	0	0	109.6	N81 K82 K85 I87 S125	L79-N81 PolarHBondContact O-N 3.34Å; L79-K82 HydrophobicContact CB-CB 4.19Å; L79-K82 HydrophobicContact CD1-CB 4.49Å; L79-K82 PolarHBondContact O-N 2.91Å; L79-K85 WeakPolarHBondContact CB-O 3.37Å; L79-K85 HydrophobicContact CD1-CB 3.81Å; L79-K85 HydrophobicContact CG-CB 4.42Å; L79-K85 WeakPolarHBondContact CG-O 3.4Å; L79-K85 PolarHBondContact N-O 3.28Å; L79-I87 HydrophobicContact CD1-CD1 4.38Å; L79-I87 HydrophobicContact CD1-CG1 4.26Å; L79-I87 HydrophobicContact CD2-CD1 3.85Å; L79-I87 HydrophobicContact CD2-CG1 4.05Å; L79-I87 HydrophobicContact CG-CG1 4.34Å; L79-S125 WeakPolarHBondContact CD2-OG 3.5Å
80	T	67.4	Low	80.8	Confident	46 Å²	46	60.2 Å²	60.2	28%	0.282	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26	-177.7	50	0	0	0	0	113.5	I78 R467 P555	I78-T80 PolarHBondContact O-N 3.46Å; T80-R467 PolarHBondContact O-NH1 3.05Å; T80-R467 PolarHBondContact O-NH2 3.13Å; T80-R467 VanDerWaalsContact O-NH2 3.1Å; T80-P555 WeakPolarHBondContact O-CA 3.43Å
81	N	66.4	Low	80.7	Confident	26 Å²	26	60.3 Å²	60.3	14%	0.139	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.7	179.9	63.7	-12.1	0	0	0	114.2	L79 N560 E584	L79-N81 PolarHBondContact O-N 3.34Å; N81-N560 PolarHBondContact O-ND2 2.87Å; N81-E584 WeakPolarHBondContact CB-OE1 3.37Å
82	K	67.7	Low	80.6	Confident	62 Å²	62	53.7 Å²	53.7	27%	0.27	27%	0.267	S	S	.	.	S	Bend	trans	-124.1	115.8	-177.4	-69.6	-158.8	176.9	-166.7	0	111.1	E37 L79 K84 K85	E37-K82 IonicContact OE1-NZ 3.8Å; E37-K82 PolarHBondContact OE1-NZ 2.95Å; E37-K82 IonicContact OE2-NZ 2.75Å; E37-K82 PolarHBondContact OE2-NZ 3.37Å; L79-K82 HydrophobicContact CB-CB 4.19Å; L79-K82 HydrophobicContact CD1-CB 4.49Å; L79-K82 PolarHBondContact O-N 2.91Å; K82-K84 PolarHBondContact O-N 2.89Å; K82-K85 HydrophobicContact CB-CB 4.09Å; K82-K85 HydrophobicContact CB-CD 4.19Å; K82-K85 HydrophobicContact CB-CG 4.36Å; K82-K85 HydrophobicContact CD-CD 3.85Å; K82-K85 PolarHBondContact O-N 3.43Å
83	P	62.8	Low	80.6	Confident	77 Å²	77	56.1 Å²	56.1	50%	0.5	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.5	179.5	-8.9	13.3	0	0	0	112.6	K85 P555	P83-K85 PolarHBondContact O-N 2.94Å; P83-P555 HydrophobicContact CB-CB 3.83Å; P83-P555 HydrophobicContact CB-CG 3.73Å; P83-P555 HydrophobicContact CG-CB 3.81Å; P83-P555 HydrophobicContact CG-CG 4.25Å
84	K	64.7	Low	80.8	Confident	199 Å²	199	52 Å²	52	87%	0.865	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	6.5	174.1	-57.7	178.8	-179.2	175.1	0	116.2	K82	K82-K84 PolarHBondContact O-N 2.89Å
85	K	72	Confident	81.1	Confident	76 Å²	76	54.8 Å²	54.8	33%	0.33	27%	0.266	S	S	.	.			trans	-93.5	127.9	173.8	-67.3	-170	-178.1	-178.3	0	109.6	E37 L79 K82 P83	E37-K85 IonicContact OE2-NZ 3.7Å; E37-K85 PolarHBondContact OE2-NZ 2.94Å; L79-K85 WeakPolarHBondContact CB-O 3.37Å; L79-K85 HydrophobicContact CD1-CB 3.81Å; L79-K85 HydrophobicContact CG-CB 4.42Å; L79-K85 WeakPolarHBondContact CG-O 3.4Å; L79-K85 PolarHBondContact N-O 3.28Å; K82-K85 HydrophobicContact CB-CB 4.09Å; K82-K85 HydrophobicContact CB-CD 4.19Å; K82-K85 HydrophobicContact CB-CG 4.36Å; K82-K85 HydrophobicContact CD-CD 3.85Å; K82-K85 PolarHBondContact O-N 3.43Å; P83-K85 PolarHBondContact O-N 2.94Å
86	F	76.2	Confident	81.5	Confident	82 Å²	82	53.2 Å²	53.2	36%	0.36	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.4	172.1	54.9	-95.2	0	0	0	108.7	T76 I77 R88	T76-F86 HydrophobicContact CG2-CB 3.81Å; T76-F86 HydrophobicContact CG2-CD2 3.83Å; T76-F86 HydrophobicContact CG2-CG 3.98Å; I77-F86 CarbonylContact O-C 3.53Å; I77-F86 WeakPolarHBondContact O-CA 3.45Å; I77-F86 WeakPolarHBondContact O-CB 3.47Å; F86-R88 HydrophobicContact CD2-CG 4.16Å; F86-R88 HydrophobicContact CE2-CG 4.26Å
87	I	78.5	Confident	82	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.169	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129	174.8	-52.1	178	0	0	0	107.2	T76 I77 L79 I89	T76-I87 WeakPolarHBondContact CA-O 3.26Å; I77-I87 PolarHBondContact N-O 3.18Å; I77-I87 PolarHBondContact O-N 3.06Å; L79-I87 HydrophobicContact CD1-CD1 4.38Å; L79-I87 HydrophobicContact CD1-CG1 4.26Å; L79-I87 HydrophobicContact CD2-CD1 3.85Å; L79-I87 HydrophobicContact CD2-CG1 4.05Å; L79-I87 HydrophobicContact CG-CG1 4.34Å; I87-I89 HydrophobicContact CG2-CG2 3.67Å
88	R	84.5	Confident	82.9	Confident	57 Å²	57	54.9 Å²	54.9	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.9	171	-75.9	174.7	175	147.3	-9	108.5	I55 L74 L75 T76 F86 E131	I55-R88 HydrophobicContact CD1-CB 3.75Å; L74-R88 HydrophobicContact CD1-CB 4.15Å; L75-R88 WeakPolarHBondContact O-CA 3.28Å; T76-R88 HydrophobicContact CG2-CG 4.46Å; F86-R88 HydrophobicContact CD2-CG 4.16Å; F86-R88 HydrophobicContact CE2-CG 4.26Å; R88-E131 WeakPolarHBondContact O-CA 3.36Å
89	I	88.3	Confident	84	Confident	2 Å²	2	50 Å²	50	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.6	-180	62.6	-179.2	0	0	0	110.6	L75 I77 I87 T130 L135	L75-I89 HydrophobicContact CB-CG1 4.15Å; L75-I89 HydrophobicContact CD2-CD1 4.43Å; L75-I89 HydrophobicContact CD2-CG1 4.5Å; L75-I89 PolarHBondContact N-O 3.03Å; L75-I89 PolarHBondContact O-N 2.98Å; I77-I89 HydrophobicContact CD1-CD1 3.55Å; I77-I89 HydrophobicContact CD1-CG1 4.36Å; I77-I89 HydrophobicContact CG1-CD1 4.39Å; I87-I89 HydrophobicContact CG2-CG2 3.67Å; I89-T130 WeakPolarHBondContact CG2-O 3.45Å; I89-L135 HydrophobicContact CD1-CB 3.89Å; I89-L135 HydrophobicContact CD1-CD2 3.87Å; I89-L135 HydrophobicContact CD1-CG 4.4Å
90	L	93.4	Very high	85.2	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.7	170.5	-62.5	-179.8	0	0	0	109.1	I55 L58 L62 V72 T133 V134 L135	I55-L90 HydrophobicContact CG2-CD2 3.77Å; I55-L90 HydrophobicContact CG2-CG 4.12Å; L58-L90 HydrophobicContact CB-CD1 4.29Å; L58-L90 HydrophobicContact CD2-CD1 3.85Å; L58-L90 HydrophobicContact CG-CD1 3.85Å; L62-L90 HydrophobicContact CD2-CD1 3.96Å; V72-L90 HydrophobicContact CG1-CB 4.25Å; V72-L90 HydrophobicContact CG1-CD2 3.97Å; V72-L90 HydrophobicContact CG1-CG 4.48Å; L90-T133 PolarHBondContact N-O 3.07Å; L90-V134 HydrophobicContact CB-CG2 4.32Å; L90-V134 HydrophobicContact CD1-CG2 4.41Å; L90-V134 CarbonylContact O-C 3.5Å; L90-V134 WeakPolarHBondContact O-CA 3.42Å; L90-L135 PolarHBondContact O-N 3.14Å
91	C	94.4	Very high	86.6	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	178.5	-175.6	0	0	0	0	110.3	E73 L75 L135	E73-C91 PolarHBondContact N-O 3.31Å; E73-C91 PolarHBondContact O-N 3.48Å; L75-C91 HydrophobicContact CB-CB 3.85Å; L75-C91 HydrophobicContact CD2-CB 4.46Å; C91-L135 CarbonylContact C-O 3.43Å; C91-L135 VanDerWaalsContact CA-O 3.3Å; C91-L135 WeakPolarHBondContact CA-O 3.29Å; C91-L135 HydrophobicContact CB-CB 4.4Å
92	V	96.5	Very high	88.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.7	168.2	-62.2	0	0	0	0	110	I66 P70 V72 P94 T103 L135 I136 D137	I66-V92 HydrophobicContact CD1-CG1 4.16Å; P70-V92 HydrophobicContact CB-CB 4.25Å; P70-V92 HydrophobicContact CG-CB 3.99Å; P70-V92 HydrophobicContact CG-CG1 4.38Å; P70-V92 HydrophobicContact CG-CG2 4.43Å; V72-V92 HydrophobicContact CB-CG1 4.39Å; V72-V92 HydrophobicContact CG2-CG1 3.86Å; V92-P94 VanDerWaalsContact O-CD 3.29Å; V92-P94 WeakPolarHBondContact O-CD 3.43Å; V92-T103 HydrophobicContact CB-CG2 4.48Å; V92-T103 HydrophobicContact CG1-CG2 4.25Å; V92-T103 HydrophobicContact CG2-CG2 3.53Å; V92-L135 PolarHBondContact N-O 3.16Å; V92-I136 HydrophobicContact CG2-CB 4.33Å; V92-I136 HydrophobicContact CG2-CG1 3.84Å; V92-I136 HydrophobicContact CG2-CG2 4.39Å; V92-D137 PolarHBondContact O-N 3.42Å
93	K	96.7	Very high	89.6	Confident	76 Å²	76	47.8 Å²	47.8	33%	0.33	22%	0.224	S	C	.	.			trans	-116.2	79	178.2	-71.6	163.5	-176.2	153.4	0	110	E73 D137	E73-K93 IonicContact OE2-NZ 3.54Å; E73-K93 PolarHBondContact OE2-NZ 2.95Å; K93-D137 WeakPolarHBondContact CE-OD2 3.33Å; K93-D137 HydrophobicContact CG-CB 3.82Å
94	P	97.3	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.2	C	C	.	.			trans	-64.3	143.8	-179.1	28.5	-38.1	0	0	0	112.1	V92 E99 I100 I136 D137	V92-P94 VanDerWaalsContact O-CD 3.29Å; V92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-E99 WeakPolarHBondContact CA-OE2 3.39Å; P94-E99 HydrophobicContact CB-CB 3.64Å; P94-I100 HydrophobicContact CB-CG1 3.79Å; P94-I100 HydrophobicContact CG-CD1 4.44Å; P94-I100 HydrophobicContact CG-CG1 3.61Å; P94-I136 HydrophobicContact CG-CG2 3.66Å; P94-D137 WeakPolarHBondContact CD-O 3.42Å
95	K	96.9	Very high	92.8	Very high	121 Å²	121	40.6 Å²	40.6	53%	0.526	18%	0.181	S	C	.	.	S	Bend	trans	-95.5	-14.9	173.9	-73.6	-167.6	177.1	-171.8	0	113.5	E99 S142 D143	K95-E99 PolarHBondContact N-OE2 3.39Å; K95-S142 WeakPolarHBondContact CB-OG 3.45Å; K95-S142 PolarHBondContact O-N 3.46Å; K95-S142 PolarHBondContact O-OG 3.49Å; K95-D143 PolarHBondContact O-N 3.29Å
96	S	96.6	Very high	93.9	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	17%	0.168	C	C	.	.	S	Bend	trans	-151.1	167.5	-178.1	67.8	0	0	0	0	114	S98 E99 I100 D143	S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 2.94Å; S96-S98 PolarHBondContact OG-OG 3.13Å; S96-S98 VanDerWaalsContact OG-OG 3.07Å; S96-E99 WeakPolarHBondContact O-CB 3.41Å; S96-E99 PolarHBondContact O-N 3.41Å; S96-E99 PolarHBondContact OG-N 3.38Å; S96-I100 PolarHBondContact O-N 3.45Å; S96-I100 VanDerWaalsContact O-N 3.14Å; S96-D143 WeakPolarHBondContact CA-OD2 3.45Å; S96-D143 VanDerWaalsContact CB-OD1 3.22Å; S96-D143 WeakPolarHBondContact CB-OD1 3.19Å; S96-D143 WeakPolarHBondContact CB-OD2 3.38Å
97	Y	96.4	Very high	94.9	Very high	70 Å²	70	33.3 Å²	33.3	28%	0.275	15%	0.151	S	C	.	.	H	α-helix	trans	-51.8	-43.1	169.6	160.4	-111.4	0	0	0	112.9	E99 I100 S101 D143 V232 G236 L238	Y97-E99 PolarHBondContact O-N 3.29Å; Y97-I100 WeakPolarHBondContact O-CB 3.46Å; Y97-I100 PolarHBondContact O-N 3.41Å; Y97-I100 VanDerWaalsContact O-N 3.16Å; Y97-S101 WeakPolarHBondContact O-CB 3.31Å; Y97-S101 PolarHBondContact O-N 3.09Å; Y97-D143 PolarHBondContact N-OD2 3.29Å; Y97-V232 HydrophobicContact CD2-CG2 3.73Å; Y97-V232 HydrophobicContact CE2-CG1 4.14Å; Y97-V232 HydrophobicContact CE2-CG2 3.77Å; Y97-G236 PolarHBondContact OH-O 2.95Å; Y97-L238 HydrophobicContact CD2-CB 4.4Å; Y97-L238 HydrophobicContact CD2-CD1 4.39Å; Y97-L238 HydrophobicContact CE2-CB 3.68Å; Y97-L238 HydrophobicContact CE2-CD1 4.36Å; Y97-L238 HydrophobicContact CE2-CG 4.45Å; Y97-L238 PolarHBondContact OH-N 3.22Å
98	S	96.7	Very high	95.6	Very high	62 Å²	62	34 Å²	34	43%	0.434	15%	0.151	S	C	.	.	H	α-helix	trans	-65.9	-29.9	-177	70.8	0	0	0	0	112.1	S96 R102	S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 2.94Å; S96-S98 PolarHBondContact OG-OG 3.13Å; S96-S98 VanDerWaalsContact OG-OG 3.07Å; S98-R102 WeakPolarHBondContact O-CB 3.47Å; S98-R102 WeakPolarHBondContact O-CG 3.33Å; S98-R102 PolarHBondContact O-N 3.17Å; S98-R102 PolarHBondContact O-NE 2.93Å
99	E	97.7	Very high	96.1	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-72.2	-40.8	173.1	-75	-171	-179.2	0	0	112.4	P70 P94 K95 S96 Y97 T103	P70-E99 HydrophobicContact CG-CB 4.21Å; P94-E99 WeakPolarHBondContact CA-OE2 3.39Å; P94-E99 HydrophobicContact CB-CB 3.64Å; K95-E99 PolarHBondContact N-OE2 3.39Å; S96-E99 WeakPolarHBondContact O-CB 3.41Å; S96-E99 PolarHBondContact O-N 3.41Å; S96-E99 PolarHBondContact OG-N 3.38Å; Y97-E99 PolarHBondContact O-N 3.29Å; E99-T103 WeakPolarHBondContact O-CB 3.41Å; E99-T103 PolarHBondContact O-N 3.42Å; E99-T103 PolarHBondContact O-OG1 2.96Å
100	I	98	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-52.8	171.6	-65.1	168	0	0	0	109.9	P94 S96 Y97 R102 T103 I104 I136 L141 V232 V259 Y261	P94-I100 HydrophobicContact CB-CG1 3.79Å; P94-I100 HydrophobicContact CG-CD1 4.44Å; P94-I100 HydrophobicContact CG-CG1 3.61Å; S96-I100 PolarHBondContact O-N 3.45Å; S96-I100 VanDerWaalsContact O-N 3.14Å; Y97-I100 WeakPolarHBondContact O-CB 3.46Å; Y97-I100 PolarHBondContact O-N 3.41Å; Y97-I100 VanDerWaalsContact O-N 3.16Å; I100-R102 PolarHBondContact O-N 2.89Å; I100-T103 WeakPolarHBondContact O-CB 3.45Å; I100-T103 PolarHBondContact O-N 3.5Å; I100-I104 HydrophobicContact CG2-CD1 3.68Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 WeakPolarHBondContact O-CG1 3.43Å; I100-I104 PolarHBondContact O-N 3.5Å; I100-I136 HydrophobicContact CG1-CG2 4.38Å; I100-L141 HydrophobicContact CD1-CD1 4.25Å; I100-L141 HydrophobicContact CD1-CD2 3.88Å; I100-V232 HydrophobicContact CG2-CB 4.03Å; I100-V232 HydrophobicContact CG2-CG1 4.17Å; I100-V232 HydrophobicContact CG2-CG2 3.94Å; I100-V259 HydrophobicContact CD1-CG1 4.23Å; I100-V259 HydrophobicContact CG2-CB 3.93Å; I100-V259 HydrophobicContact CG2-CG1 3.97Å; I100-V259 HydrophobicContact CG2-CG2 4.16Å; I100-Y261 HydrophobicContact CD1-CD2 4.21Å
101	S	97.6	Very high	96.3	Very high	10 Å²	10	37.8 Å²	37.8	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-47	-178	177.2	0	0	0	0	112.2	Y97 T103 I104 R105 G236	Y97-S101 WeakPolarHBondContact O-CB 3.31Å; Y97-S101 PolarHBondContact O-N 3.09Å; S101-T103 PolarHBondContact O-N 2.82Å; S101-I104 PolarHBondContact O-N 2.95Å; S101-R105 WeakPolarHBondContact O-CG 3.39Å; S101-R105 PolarHBondContact O-N 3.34Å; S101-G236 VanDerWaalsContact CB-O 3.29Å; S101-G236 WeakPolarHBondContact CB-O 3.39Å; S101-G236 PolarHBondContact OG-O 2.77Å
102	R	97.5	Very high	96.2	Very high	94 Å²	94	37.6 Å²	37.6	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-62.8	-42.4	176.9	-77.3	-171.5	-67.6	135.1	-4	112.4	I66 L69 S98 I100 I104 R105 A106	I66-R102 PolarHBondContact O-NH1 2.74Å; L69-R102 PolarHBondContact O-NH1 3.17Å; L69-R102 PolarHBondContact O-NH2 3.29Å; S98-R102 WeakPolarHBondContact O-CB 3.47Å; S98-R102 WeakPolarHBondContact O-CG 3.33Å; S98-R102 PolarHBondContact O-N 3.17Å; S98-R102 PolarHBondContact O-NE 2.93Å; I100-R102 PolarHBondContact O-N 2.89Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 2.86Å; R102-R105 PolarHBondContact O-N 2.8Å; R102-A106 VanDerWaalsContact O-CB 3.31Å; R102-A106 WeakPolarHBondContact O-CB 3.21Å; R102-A106 PolarHBondContact O-N 3.49Å
103	T	98.1	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-47.8	176	-55.7	0	0	0	0	110.8	I66 P70 V92 E99 I100 S101 R105 A106 A107 V134 I136	I66-T103 HydrophobicContact CD1-CG2 3.9Å; P70-T103 WeakPolarHBondContact CG-OG1 3.44Å; V92-T103 HydrophobicContact CB-CG2 4.48Å; V92-T103 HydrophobicContact CG1-CG2 4.25Å; V92-T103 HydrophobicContact CG2-CG2 3.53Å; E99-T103 WeakPolarHBondContact O-CB 3.41Å; E99-T103 PolarHBondContact O-N 3.42Å; E99-T103 PolarHBondContact O-OG1 2.96Å; I100-T103 WeakPolarHBondContact O-CB 3.45Å; I100-T103 PolarHBondContact O-N 3.5Å; S101-T103 PolarHBondContact O-N 2.82Å; T103-R105 PolarHBondContact O-N 2.82Å; T103-A106 PolarHBondContact O-N 3.36Å; T103-A107 WeakPolarHBondContact O-CB 3.37Å; T103-A107 PolarHBondContact O-N 3.44Å; T103-V134 HydrophobicContact CG2-CG1 4.22Å; T103-I136 HydrophobicContact CG2-CD1 3.98Å; T103-I136 HydrophobicContact CG2-CG1 4.19Å
104	I	97.6	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-49.4	179.7	-73.1	167.8	0	0	0	111.4	I100 S101 R102 A106 A107 R108 I114 I136 V232 N233 V259 M618 F619	I100-I104 HydrophobicContact CG2-CD1 3.68Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 WeakPolarHBondContact O-CG1 3.43Å; I100-I104 PolarHBondContact O-N 3.5Å; S101-I104 PolarHBondContact O-N 2.95Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 2.86Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 2.8Å; I104-A107 PolarHBondContact O-N 3.05Å; I104-R108 WeakPolarHBondContact O-CB 3.4Å; I104-R108 PolarHBondContact O-N 2.96Å; I104-I114 HydrophobicContact CB-CD1 4.03Å; I104-I114 HydrophobicContact CG1-CD1 3.75Å; I104-I114 HydrophobicContact CG2-CD1 4.19Å; I104-I136 HydrophobicContact CG1-CD1 3.92Å; I104-V232 HydrophobicContact CD1-CB 3.92Å; I104-V232 HydrophobicContact CD1-CG1 3.55Å; I104-N233 WeakPolarHBondContact CG2-O 3.45Å; I104-V259 HydrophobicContact CD1-CB 4.42Å; I104-V259 HydrophobicContact CD1-CG2 3.88Å; I104-M618 HydrophobicContact CG2-CE 3.79Å; I104-F619 HydrophobicContact CD1-CZ 4.37Å
105	R	97.1	Very high	95.7	Very high	124 Å²	124	35.2 Å²	35.2	47%	0.468	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-43.3	178.8	-70.2	175.2	-179.4	-178.7	3.9	111.5	S101 R102 T103 R108 T109 Y235 D237	S101-R105 WeakPolarHBondContact O-CG 3.39Å; S101-R105 PolarHBondContact O-N 3.34Å; R102-R105 PolarHBondContact O-N 2.8Å; T103-R105 PolarHBondContact O-N 2.82Å; R105-R108 PolarHBondContact O-N 3.33Å; R105-T109 WeakPolarHBondContact O-CG2 3.27Å; R105-T109 PolarHBondContact O-N 3.18Å; R105-Y235 WeakPolarHBondContact CG-O 3.42Å; R105-Y235 PolarHBondContact NE-O 3.05Å; R105-D237 IonicContact NH2-OD1 3.74Å; R105-D237 PolarHBondContact NH2-OD1 3.38Å
106	A	97	Very high	95.4	Very high	6 Å²	6	31 Å²	31	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-52.4	177.6	0	0	0	0	0	112.1	L62 R65 I66 R102 T103 I104 R108 T109 M110	L62-A106 HydrophobicContact CD1-CB 4Å; R65-A106 HydrophobicContact CB-CB 3.71Å; I66-A106 HydrophobicContact CG1-CB 3.57Å; R102-A106 VanDerWaalsContact O-CB 3.31Å; R102-A106 WeakPolarHBondContact O-CB 3.21Å; R102-A106 PolarHBondContact O-N 3.49Å; T103-A106 PolarHBondContact O-N 3.36Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 2.8Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 3.49Å; A106-T109 PolarHBondContact O-N 2.91Å; A106-T109 VanDerWaalsContact O-N 3.09Å; A106-T109 PolarHBondContact O-OG1 2.89Å; A106-M110 PolarHBondContact O-N 3.45Å
107	A	95.8	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-37.5	178.1	0	0	0	0	0	112.1	L62 T103 I104 T109 M110 K111 L112 I114 V134	L62-A107 HydrophobicContact CD1-CB 4.22Å; T103-A107 WeakPolarHBondContact O-CB 3.37Å; T103-A107 PolarHBondContact O-N 3.44Å; I104-A107 PolarHBondContact O-N 3.05Å; A107-T109 PolarHBondContact O-N 3.34Å; A107-M110 CarbonylContact O-C 3.57Å; A107-M110 PolarHBondContact O-N 3.47Å; A107-M110 VanDerWaalsContact O-N 3.13Å; A107-K111 PolarHBondContact O-N 2.86Å; A107-L112 HydrophobicContact CB-CB 4.21Å; A107-L112 PolarHBondContact O-N 3.06Å; A107-I114 HydrophobicContact CB-CD1 3.64Å; A107-I114 HydrophobicContact CB-CG1 3.88Å; A107-V134 HydrophobicContact CB-CG2 4.31Å
108	R	94.4	Very high	94.6	Very high	46 Å²	46	28 Å²	28	17%	0.174	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-38.6	175.2	-173	169.6	179.7	-176.7	3.7	113.6	I104 R105 A106 M110 K111 C234 Y235 D616 M618 Y639	I104-R108 WeakPolarHBondContact O-CB 3.4Å; I104-R108 PolarHBondContact O-N 2.96Å; R105-R108 PolarHBondContact O-N 3.33Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 3.49Å; R108-M110 PolarHBondContact O-N 2.91Å; R108-K111 PolarHBondContact O-N 3.39Å; R108-K111 VanDerWaalsContact O-N 3.07Å; R108-C234 WeakPolarHBondContact CD-O 3.16Å; R108-C234 PolarHBondContact NH1-O 3.45Å; R108-C234 PolarHBondContact NH1-SG 2.88Å; R108-Y235 VanDerWaalsContact NH1-CG 3.34Å; R108-Y235 VanDerWaalsContact NH2-CE1 3.32Å; R108-D616 IonicContact CZ-OD2 2.55Å; R108-D616 IonicContact NE-OD2 2.86Å; R108-D616 IonicContact NH2-OD2 2.86Å; R108-D616 PolarHBondContact NH2-OD2 2.86Å; R108-M618 HydrophobicContact CB-SD 3.79Å; R108-M618 HydrophobicContact CG-SD 4.21Å; R108-Y639 HydrophobicContact CG-CE2 4.44Å
109	T	93.4	Very high	94	Very high	94 Å²	94	28.1 Å²	28.1	58%	0.577	14%	0.138	S	C	*	.	H	α-helix	trans	-63.7	-28.3	175.7	63.2	0	0	0	0	112.6	R105 A106 A107	R105-T109 WeakPolarHBondContact O-CG2 3.27Å; R105-T109 PolarHBondContact O-N 3.18Å; A106-T109 PolarHBondContact O-N 2.91Å; A106-T109 VanDerWaalsContact O-N 3.09Å; A106-T109 PolarHBondContact O-OG1 2.89Å; A107-T109 PolarHBondContact O-N 3.34Å
110	M	92.8	Very high	93	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.1	176.1	-63.8	172.9	70.6	0	0	113.1	L58 E61 L62 R65 A106 A107 R108 L112 Y646	L58-M110 HydrophobicContact CD1-CE 3.48Å; L58-M110 VanDerWaalsContact CD1-CE 3.48Å; L58-M110 HydrophobicContact CG-CE 4.19Å; E61-M110 HydrophobicContact CB-CE 3.79Å; L62-M110 VanDerWaalsContact CA-SD 3.55Å; L62-M110 HydrophobicContact CB-CE 4.2Å; L62-M110 HydrophobicContact CB-SD 3.87Å; L62-M110 HydrophobicContact CD1-SD 3.82Å; L62-M110 HydrophobicContact CG-SD 4.46Å; R65-M110 VanDerWaalsContact CD-SD 3.54Å; A106-M110 PolarHBondContact O-N 3.45Å; A107-M110 CarbonylContact O-C 3.57Å; A107-M110 PolarHBondContact O-N 3.47Å; A107-M110 VanDerWaalsContact O-N 3.13Å; R108-M110 PolarHBondContact O-N 2.91Å; M110-L112 HydrophobicContact CB-CD1 4.1Å; M110-L112 HydrophobicContact CB-CG 3.81Å; M110-L112 HydrophobicContact CE-CD1 4.02Å; M110-L112 PolarHBondContact O-N 3.04Å; M110-L112 HydrophobicContact SD-CD1 4.24Å; M110-Y646 HydrophobicContact CB-CD1 4.24Å; M110-Y646 HydrophobicContact CB-CE1 3.72Å; M110-Y646 HydrophobicContact CE-CE1 3.72Å; M110-Y646 HydrophobicContact CG-CE1 3.86Å; M110-Y646 WeakPolarHBondContact O-CD1 3.32Å
111	K	93.1	Very high	91.8	Very high	49 Å²	49	32 Å²	32	21%	0.213	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	26.4	-177.4	-50.7	-67.7	172.5	161.9	0	114.2	A107 R108 Y639 Q642 R643	A107-K111 PolarHBondContact O-N 2.86Å; R108-K111 PolarHBondContact O-N 3.39Å; R108-K111 VanDerWaalsContact O-N 3.07Å; K111-Y639 VanDerWaalsContact CA-CZ 3.5Å; K111-Y639 WeakPolarHBondContact CA-OH 3.44Å; K111-Y639 HydrophobicContact CB-CD1 4.4Å; K111-Y639 HydrophobicContact CB-CE1 4.04Å; K111-Y639 HydrophobicContact CB-CE2 4.38Å; K111-Y639 HydrophobicContact CD-CD2 3.56Å; K111-Y639 HydrophobicContact CD-CE1 4.46Å; K111-Y639 HydrophobicContact CD-CE2 3.34Å; K111-Y639 HydrophobicContact CD-CG 4.25Å; K111-Y639 HydrophobicContact CG-CE2 4.48Å; K111-Y639 WeakPolarHBondContact O-CE1 3.36Å; K111-Q642 HydrophobicContact CD-CB 4.29Å; K111-Q642 HydrophobicContact CG-CB 3.95Å; K111-R643 HydrophobicContact CB-CB 3.72Å; K111-R643 HydrophobicContact CB-CG 4.44Å; K111-R643 WeakPolarHBondContact O-CB 3.49Å; K111-R643 VanDerWaalsContact O-CD 3.28Å; K111-R643 WeakPolarHBondContact O-CD 3.45Å; K111-R643 WeakPolarHBondContact O-CG 3.38Å
112	L	92.7	Very high	90.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.			trans	-75.5	156.4	178	-61.5	-180	0	0	0	111.3	L58 L62 A107 M110 H132 V134 M618 Y639 L647	L58-L112 HydrophobicContact CD1-CD1 4.36Å; L58-L112 HydrophobicContact CD1-CD2 4.14Å; L58-L112 HydrophobicContact CD2-CD1 4.31Å; L58-L112 HydrophobicContact CD2-CD2 3.94Å; L58-L112 HydrophobicContact CG-CD1 4.31Å; L58-L112 HydrophobicContact CG-CD2 4.47Å; L62-L112 HydrophobicContact CD1-CD1 4.5Å; L62-L112 HydrophobicContact CD2-CD1 4.5Å; A107-L112 HydrophobicContact CB-CB 4.21Å; A107-L112 PolarHBondContact O-N 3.06Å; M110-L112 HydrophobicContact CB-CD1 4.1Å; M110-L112 HydrophobicContact CB-CG 3.81Å; M110-L112 HydrophobicContact CE-CD1 4.02Å; M110-L112 PolarHBondContact O-N 3.04Å; M110-L112 HydrophobicContact SD-CD1 4.24Å; L112-H132 HydrophobicContact CD2-CB 4.41Å; L112-V134 HydrophobicContact CB-CG2 4.11Å; L112-V134 HydrophobicContact CD1-CG2 3.71Å; L112-M618 WeakPolarHBondContact O-CG 3.45Å; L112-Y639 PolarHBondContact O-OH 3.08Å; L112-L647 HydrophobicContact CD2-CD2 4.31Å
113	M	92.3	Very high	89	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.1	169.8	-75.8	174.9	41.9	0	0	110.4	H132 T133 V134 M618 N621	M113-H132 PolarHBondContact N-O 3.21Å; M113-T133 HydrophobicContact CB-CG2 4.37Å; M113-V134 PolarHBondContact O-N 2.84Å; M113-M618 CarbonylContact C-O 3.54Å; M113-M618 VanDerWaalsContact CA-O 3.27Å; M113-M618 WeakPolarHBondContact CA-O 3.44Å; M113-N621 VanDerWaalsContact CE-CA 3.45Å; M113-N621 HydrophobicContact CE-CB 3.47Å; M113-N621 VanDerWaalsContact CE-CB 3.47Å
114	I	94.2	Very high	87.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	177.7	-57.9	-176.1	0	0	0	109.8	I104 A107 V134 I136 M618 F619	I104-I114 HydrophobicContact CB-CD1 4.03Å; I104-I114 HydrophobicContact CG1-CD1 3.75Å; I104-I114 HydrophobicContact CG2-CD1 4.19Å; A107-I114 HydrophobicContact CB-CD1 3.64Å; A107-I114 HydrophobicContact CB-CG1 3.88Å; I114-V134 WeakPolarHBondContact CA-O 3.38Å; I114-I136 HydrophobicContact CG2-CD1 3.52Å; I114-I136 HydrophobicContact CG2-CG1 3.95Å; I114-M618 HydrophobicContact CB-CE 4.45Å; I114-M618 HydrophobicContact CD1-CE 3.57Å; I114-M618 HydrophobicContact CD1-CG 4.31Å; I114-M618 HydrophobicContact CD1-SD 3.68Å; I114-M618 HydrophobicContact CG1-CE 4.19Å; I114-M618 HydrophobicContact CG1-CG 4.13Å; I114-M618 HydrophobicContact CG1-SD 4.16Å; I114-M618 PolarHBondContact N-O 3.46Å; I114-F619 HydrophobicContact CB-CD1 3.79Å; I114-F619 HydrophobicContact CB-CE1 3.78Å; I114-F619 HydrophobicContact CD1-CE1 4.4Å; I114-F619 HydrophobicContact CG2-CD1 4.01Å; I114-F619 HydrophobicContact CG2-CE1 3.75Å; I114-F619 WeakPolarHBondContact O-CA 3.38Å
115	R	93	Very high	85.9	Confident	17 Å²	17	31 Å²	31	6%	0.064	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.2	168.1	-61.1	-64.8	-71.4	169.9	9.3	108.9	L127 Y128 T133 V134 L135 I136 L254 F619	R115-L127 PolarHBondContact NE-O 2.77Å; R115-Y128 WeakPolarHBondContact CB-O 3.47Å; R115-Y128 VanDerWaalsContact CG-O 3.31Å; R115-Y128 WeakPolarHBondContact CG-O 3.39Å; R115-T133 HydrophobicContact CB-CG2 4.09Å; R115-T133 HydrophobicContact CG-CG2 3.67Å; R115-V134 PolarHBondContact N-O 2.74Å; R115-L135 HydrophobicContact CB-CD1 4.18Å; R115-L135 CarbonylContact O-C 3.59Å; R115-L135 WeakPolarHBondContact O-CA 3.37Å; R115-I136 PolarHBondContact O-N 3.05Å; R115-L254 PolarHBondContact NH1-O 2.69Å; R115-L254 PolarHBondContact NH2-O 3.33Å; R115-F619 PolarHBondContact NH1-O 3.21Å
116	A	92	Very high	84.2	Confident	33 Å²	33	26.1 Å²	26.1	27%	0.273	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	150.2	173.6	0	0	0	0	0	110.5	I136 V259	A116-I136 CarbonylContact C-O 3.51Å; A116-I136 VanDerWaalsContact CA-O 3.32Å; A116-I136 WeakPolarHBondContact CA-O 3.37Å; A116-V259 HydrophobicContact CB-CB 4.49Å; A116-V259 HydrophobicContact CB-CG1 4.04Å; A116-V259 HydrophobicContact CB-CG2 4.19Å
117	C	89.9	Confident	82.5	Confident	8 Å²	8	26.7 Å²	26.7	5%	0.054	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.5	168.2	66.8	0	0	0	0	112	L120 Y128 L135 I136 C138	C117-L120 HydrophobicContact CB-CD2 3.51Å; C117-L120 HydrophobicContact CB-CG 3.96Å; C117-Y128 HydrophobicContact CB-CD1 4.23Å; C117-Y128 HydrophobicContact CB-CE1 3.91Å; C117-L135 HydrophobicContact CB-CD1 3.94Å; C117-L135 HydrophobicContact CB-CD2 4.42Å; C117-L135 HydrophobicContact CB-CG 4.36Å; C117-L135 VanDerWaalsContact SG-CD2 3.55Å; C117-I136 PolarHBondContact N-O 2.91Å; C117-C138 PolarHBondContact O-N 3.5Å
118	G	86.5	Confident	80.9	Confident	16 Å²	16	28.5 Å²	28.5	17%	0.165	15%	0.154	C	C	.	.	S	Bend	trans	-95.2	-130.2	156.9	0	0	0	0	0	109.1	L120 V139	G118-L120 PolarHBondContact O-N 3.27Å; G118-V139 WeakPolarHBondContact O-CG2 3.49Å
119	H	82.4	Confident	79.6	Confident	66 Å²	66	26.7 Å²	26.7	31%	0.306	15%	0.149	S	C	.	.	S	Bend	trans	-68.1	14.7	-179.1	-77.7	-83.4	0	0	0	116.4	S121 Q196	H119-S121 PolarHBondContact O-N 3.02Å; H119-Q196 PolarHBondContact CD2-O 3.3Å
120	L	78.6	Confident	78.5	Confident	64 Å²	64	23.6 Å²	23.6	34%	0.335	13%	0.13	S	C	.	.			trans	50	33.4	178.2	-71.5	170.5	0	0	0	114.8	L75 C117 G118 S122 Y128 L135	L75-L120 HydrophobicContact CD2-CD1 4.23Å; C117-L120 HydrophobicContact CB-CD2 3.51Å; C117-L120 HydrophobicContact CB-CG 3.96Å; G118-L120 PolarHBondContact O-N 3.27Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.99Å; L120-Y128 HydrophobicContact CD2-CD1 3.97Å; L120-Y128 HydrophobicContact CD2-CD2 4.28Å; L120-Y128 HydrophobicContact CD2-CE1 3.87Å; L120-Y128 HydrophobicContact CD2-CE2 4.16Å; L120-Y128 HydrophobicContact CD2-CG 4.17Å; L120-L135 HydrophobicContact CD1-CD2 4.4Å; L120-L135 HydrophobicContact CD2-CD2 4.29Å
121	S	72.3	Confident	77.5	Confident	37 Å²	37	27.8 Å²	27.8	26%	0.259	15%	0.15	S	C	.	.			trans	-79.2	-1.9	-176.3	58.5	0	0	0	0	115.5	H119 D197	H119-S121 PolarHBondContact O-N 3.02Å; S121-D197 WeakPolarHBondContact CB-OD1 3.1Å; S121-D197 PolarHBondContact OG-OD1 2.94Å; S121-D197 PolarHBondContact OG-OD2 2.83Å; S121-D197 VanDerWaalsContact OG-OD2 3.08Å
122	S	69.5	Low	77	Confident	15 Å²	15	27.6 Å²	27.6	11%	0.105	15%	0.15	C	C	.	.			trans	-74.1	131.5	172.7	175.9	0	0	0	0	109.5	L120 N124 Y128	L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.99Å; S122-N124 PolarHBondContact O-N 2.87Å; S122-N124 PolarHBondContact OG-N 2.92Å; S122-Y128 VanDerWaalsContact CB-OH 3.24Å; S122-Y128 WeakPolarHBondContact CB-OH 3.11Å
123	Y	67.1	Low	76.9	Confident	52 Å²	52	27.6 Å²	27.6	20%	0.204	15%	0.15	C	C	.	.	S	Bend	trans	-71.6	-5.9	175.6	-57.9	-73.4	0	0	0	113.1	L466 I468	Y123-L466 WeakPolarHBondContact CE1-O 3.31Å; Y123-I468 HydrophobicContact CD2-CB 3.99Å; Y123-I468 HydrophobicContact CD2-CG1 4.34Å; Y123-I468 HydrophobicContact CE2-CB 3.68Å; Y123-I468 HydrophobicContact CE2-CD1 3.56Å; Y123-I468 HydrophobicContact CE2-CG1 3.57Å; Y123-I468 VanDerWaalsContact OH-CD1 3.28Å; Y123-I468 WeakPolarHBondContact OH-CD1 3.19Å
124	N	66	Low	76.9	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.011	15%	0.148	C	C	.	.			trans	-103.6	87.6	178.3	-169.2	2.2	0	0	0	112.3	S122 I126 L127 Y128 W585	S122-N124 PolarHBondContact O-N 2.87Å; S122-N124 PolarHBondContact OG-N 2.92Å; N124-I126 PolarHBondContact O-N 2.8Å; N124-I126 WeakPolarHBondContact OD1-CB 3.43Å; N124-I126 PolarHBondContact OD1-N 3.41Å; N124-L127 HydrophobicContact CB-CD1 4.25Å; N124-L127 HydrophobicContact CB-CG 4.5Å; N124-L127 WeakPolarHBondContact ND2-CG 3.38Å; N124-L127 PolarHBondContact O-N 2.95Å; N124-Y128 WeakPolarHBondContact O-CD2 3.37Å; N124-W585 HydrophobicContact CB-CG 4.48Å; N124-W585 PolarHBondContact ND2-NE1 3.31Å
125	S	64.4	Low	76.9	Confident	14 Å²	14	27.2 Å²	27.2	10%	0.098	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.6	-25.5	172.5	47.9	0	0	0	0	113.4	L79 L127 Y128	L79-S125 WeakPolarHBondContact CD2-OG 3.5Å; S125-L127 PolarHBondContact O-N 2.87Å; S125-Y128 PolarHBondContact O-N 3.02Å; S125-Y128 VanDerWaalsContact O-N 3.09Å
126	I	60.5	Low	77.1	Confident	21 Å²	21	26.4 Å²	26.4	11%	0.108	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-66.2	-25	-175.4	-55.9	176.2	0	0	0	111.8	N124 Y128 Y623	N124-I126 PolarHBondContact O-N 2.8Å; N124-I126 WeakPolarHBondContact OD1-CB 3.43Å; N124-I126 PolarHBondContact OD1-N 3.41Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; I126-Y623 HydrophobicContact CB-CE2 4.43Å; I126-Y623 HydrophobicContact CG2-CD1 4.27Å; I126-Y623 HydrophobicContact CG2-CD2 3.27Å; I126-Y623 HydrophobicContact CG2-CE1 4.12Å; I126-Y623 HydrophobicContact CG2-CE2 3Å; I126-Y623 HydrophobicContact CG2-CG 3.86Å; I126-Y623 VanDerWaalsContact CG2-CZ 3.42Å
127	L	62.3	Low	77.2	Confident	17 Å²	17	25.8 Å²	25.8	9%	0.089	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-76.5	-16.8	177.2	-68.5	173	0	0	0	113.7	R115 N124 S125 N621 L624	R115-L127 PolarHBondContact NE-O 2.77Å; N124-L127 HydrophobicContact CB-CD1 4.25Å; N124-L127 HydrophobicContact CB-CG 4.5Å; N124-L127 WeakPolarHBondContact ND2-CG 3.38Å; N124-L127 PolarHBondContact O-N 2.95Å; S125-L127 PolarHBondContact O-N 2.87Å; L127-N621 PolarHBondContact O-ND2 3.46Å; L127-L624 HydrophobicContact CD2-CD2 3.81Å; L127-L624 HydrophobicContact CD2-CG 4.13Å
128	Y	61	Low	77.4	Confident	39 Å²	39	25.7 Å²	25.7	15%	0.153	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.7	-174.5	-67	-76.6	0	0	0	114.1	R115 C117 L120 S122 N124 S125 I126 T133 L135	R115-Y128 WeakPolarHBondContact CB-O 3.47Å; R115-Y128 VanDerWaalsContact CG-O 3.31Å; R115-Y128 WeakPolarHBondContact CG-O 3.39Å; C117-Y128 HydrophobicContact CB-CD1 4.23Å; C117-Y128 HydrophobicContact CB-CE1 3.91Å; L120-Y128 HydrophobicContact CD2-CD1 3.97Å; L120-Y128 HydrophobicContact CD2-CD2 4.28Å; L120-Y128 HydrophobicContact CD2-CE1 3.87Å; L120-Y128 HydrophobicContact CD2-CE2 4.16Å; L120-Y128 HydrophobicContact CD2-CG 4.17Å; S122-Y128 VanDerWaalsContact CB-OH 3.24Å; S122-Y128 WeakPolarHBondContact CB-OH 3.11Å; N124-Y128 WeakPolarHBondContact O-CD2 3.37Å; S125-Y128 PolarHBondContact O-N 3.02Å; S125-Y128 VanDerWaalsContact O-N 3.09Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; Y128-T133 WeakPolarHBondContact O-CG2 3.44Å; Y128-L135 HydrophobicContact CD1-CD1 4.15Å
129	G	66.8	Low	77.7	Confident	8 Å²	8	26.4 Å²	26.4	8%	0.082	14%	0.137	C	C	.	.			trans	144.3	-168.7	165.4	0	0	0	0	0	116.5	T133	G129-T133 WeakPolarHBondContact CA-OG1 3.49Å
130	T	70.7	Confident	78.1	Confident	28 Å²	28	27.4 Å²	27.4	17%	0.172	15%	0.145	C	C	.	.			trans	-118	176	174.9	47.7	0	0	0	0	109	I89 H132 T133	I89-T130 WeakPolarHBondContact CG2-O 3.45Å; T130-H132 PolarHBondContact O-N 3.48Å; T130-H132 PolarHBondContact OG1-CD2 3.03Å; T130-H132 PolarHBondContact OG1-CE1 3.5Å; T130-H132 PolarHBondContact OG1-NE2 3.42Å; T130-T133 PolarHBondContact N-OG1 3Å; T130-T133 WeakPolarHBondContact O-CB 3.3Å; T130-T133 PolarHBondContact O-N 2.93Å; T130-T133 PolarHBondContact O-OG1 2.81Å; T130-T133 VanDerWaalsContact O-OG1 3.06Å; T130-T133 PolarHBondContact OG1-OG1 2.94Å
131	E	71.7	Confident	78.9	Confident	90 Å²	90	24.6 Å²	24.6	42%	0.421	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.3	-177.5	-69.3	143.5	-162.1	0	0	114.7	I55 R88 T133	I55-E131 HydrophobicContact CD1-CB 3.94Å; I55-E131 HydrophobicContact CD1-CG 3.95Å; I55-E131 HydrophobicContact CG1-CB 4.46Å; R88-E131 WeakPolarHBondContact O-CA 3.36Å; E131-T133 VanDerWaalsContact C-N 3.31Å; E131-T133 PolarHBondContact O-N 3.33Å
132	H	83	Confident	80	Confident	44 Å²	44	26.4 Å²	26.4	20%	0.204	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	19.3	177.3	51.3	-97.6	0	0	0	114.3	L112 M113 T130 L647	L112-H132 HydrophobicContact CD2-CB 4.41Å; M113-H132 PolarHBondContact N-O 3.21Å; T130-H132 PolarHBondContact O-N 3.48Å; T130-H132 PolarHBondContact OG1-CD2 3.03Å; T130-H132 PolarHBondContact OG1-CE1 3.5Å; T130-H132 PolarHBondContact OG1-NE2 3.42Å; H132-L647 HydrophobicContact CB-CD1 4.26Å
133	T	89.8	Confident	81.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	176.7	-54	0	0	0	0	110.6	L90 M113 R115 Y128 G129 T130 E131	L90-T133 PolarHBondContact N-O 3.07Å; M113-T133 HydrophobicContact CB-CG2 4.37Å; R115-T133 HydrophobicContact CB-CG2 4.09Å; R115-T133 HydrophobicContact CG-CG2 3.67Å; Y128-T133 WeakPolarHBondContact O-CG2 3.44Å; G129-T133 WeakPolarHBondContact CA-OG1 3.49Å; T130-T133 PolarHBondContact N-OG1 3Å; T130-T133 WeakPolarHBondContact O-CB 3.3Å; T130-T133 PolarHBondContact O-N 2.93Å; T130-T133 PolarHBondContact O-OG1 2.81Å; T130-T133 VanDerWaalsContact O-OG1 3.06Å; T130-T133 PolarHBondContact OG1-OG1 2.94Å; E131-T133 VanDerWaalsContact C-N 3.31Å; E131-T133 PolarHBondContact O-N 3.33Å
134	V	94	Very high	82.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.4	167.6	-175.6	0	0	0	0	108.3	L62 L90 T103 A107 L112 M113 I114 R115	L62-V134 HydrophobicContact CD2-CB 4.45Å; L62-V134 HydrophobicContact CD2-CG1 3.95Å; L62-V134 HydrophobicContact CD2-CG2 3.6Å; L90-V134 HydrophobicContact CB-CG2 4.32Å; L90-V134 HydrophobicContact CD1-CG2 4.41Å; L90-V134 CarbonylContact O-C 3.5Å; L90-V134 WeakPolarHBondContact O-CA 3.42Å; T103-V134 HydrophobicContact CG2-CG1 4.22Å; A107-V134 HydrophobicContact CB-CG2 4.31Å; L112-V134 HydrophobicContact CB-CG2 4.11Å; L112-V134 HydrophobicContact CD1-CG2 3.71Å; M113-V134 PolarHBondContact O-N 2.84Å; I114-V134 WeakPolarHBondContact CA-O 3.38Å; R115-V134 PolarHBondContact N-O 2.74Å
135	L	94.1	Very high	83.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.9	173.1	-167.9	66.3	0	0	0	109.9	L75 I89 L90 C91 V92 R115 C117 L120 Y128	L75-L135 HydrophobicContact CD2-CD2 3.71Å; I89-L135 HydrophobicContact CD1-CB 3.89Å; I89-L135 HydrophobicContact CD1-CD2 3.87Å; I89-L135 HydrophobicContact CD1-CG 4.4Å; L90-L135 PolarHBondContact O-N 3.14Å; C91-L135 CarbonylContact C-O 3.43Å; C91-L135 VanDerWaalsContact CA-O 3.3Å; C91-L135 WeakPolarHBondContact CA-O 3.29Å; C91-L135 HydrophobicContact CB-CB 4.4Å; V92-L135 PolarHBondContact N-O 3.16Å; R115-L135 HydrophobicContact CB-CD1 4.18Å; R115-L135 CarbonylContact O-C 3.59Å; R115-L135 WeakPolarHBondContact O-CA 3.37Å; C117-L135 HydrophobicContact CB-CD1 3.94Å; C117-L135 HydrophobicContact CB-CD2 4.42Å; C117-L135 HydrophobicContact CB-CG 4.36Å; C117-L135 VanDerWaalsContact SG-CD2 3.55Å; L120-L135 HydrophobicContact CD1-CD2 4.4Å; L120-L135 HydrophobicContact CD2-CD2 4.29Å; Y128-L135 HydrophobicContact CD1-CD1 4.15Å
136	I	95.8	Very high	85.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	102.6	173.1	-60	-177.2	0	0	0	107.6	V92 P94 I100 T103 I104 I114 R115 A116 C117 C138 V259	V92-I136 HydrophobicContact CG2-CB 4.33Å; V92-I136 HydrophobicContact CG2-CG1 3.84Å; V92-I136 HydrophobicContact CG2-CG2 4.39Å; P94-I136 HydrophobicContact CG-CG2 3.66Å; I100-I136 HydrophobicContact CG1-CG2 4.38Å; T103-I136 HydrophobicContact CG2-CD1 3.98Å; T103-I136 HydrophobicContact CG2-CG1 4.19Å; I104-I136 HydrophobicContact CG1-CD1 3.92Å; I114-I136 HydrophobicContact CG2-CD1 3.52Å; I114-I136 HydrophobicContact CG2-CG1 3.95Å; R115-I136 PolarHBondContact O-N 3.05Å; A116-I136 CarbonylContact C-O 3.51Å; A116-I136 VanDerWaalsContact CA-O 3.32Å; A116-I136 WeakPolarHBondContact CA-O 3.37Å; C117-I136 PolarHBondContact N-O 2.91Å; I136-C138 PolarHBondContact O-N 3.07Å; I136-V259 HydrophobicContact CD1-CG2 3.91Å; I136-V259 HydrophobicContact CG2-CG1 4.48Å
137	D	94.4	Very high	86.9	Confident	21 Å²	21	36.3 Å²	36.3	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	103.5	178.1	177.3	0.9	0	0	0	110.3	V92 K93 P94 V139	V92-D137 PolarHBondContact O-N 3.42Å; K93-D137 WeakPolarHBondContact CE-OD2 3.33Å; K93-D137 HydrophobicContact CG-CB 3.82Å; P94-D137 WeakPolarHBondContact CD-O 3.42Å; D137-V139 VanDerWaalsContact C-N 3.3Å; D137-V139 PolarHBondContact O-N 2.89Å; D137-V139 VanDerWaalsContact OD1-CB 3.24Å; D137-V139 WeakPolarHBondContact OD1-CB 3.36Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.48Å; D137-V139 PolarHBondContact OD1-N 2.74Å
138	C	94.8	Very high	88.5	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.034	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-82.5	-0.1	-176.9	-65.7	0	0	0	0	113.7	C117 I136 N140 L141 C169	C117-C138 PolarHBondContact O-N 3.5Å; I136-C138 PolarHBondContact O-N 3.07Å; C138-N140 PolarHBondContact O-N 3.17Å; C138-L141 HydrophobicContact CB-CD1 3.87Å; C138-L141 HydrophobicContact CB-CG 4.39Å; C138-L141 WeakPolarHBondContact O-CG 3.42Å; C138-L141 PolarHBondContact O-N 3.33Å; C138-C169 WeakPolarHBondContact O-CB 3.44Å
139	V	92.6	Very high	90.2	Very high	31 Å²	31	40.5 Å²	40.5	19%	0.188	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.6	-34.5	-175.6	172.4	0	0	0	0	112.4	G118 D137 C169	G118-V139 WeakPolarHBondContact O-CG2 3.49Å; D137-V139 VanDerWaalsContact C-N 3.3Å; D137-V139 PolarHBondContact O-N 2.89Å; D137-V139 VanDerWaalsContact OD1-CB 3.24Å; D137-V139 WeakPolarHBondContact OD1-CB 3.36Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.48Å; D137-V139 PolarHBondContact OD1-N 2.74Å; V139-C169 WeakPolarHBondContact O-CB 3.44Å
140	N	91.6	Very high	91.6	Very high	87 Å²	87	41.4 Å²	41.4	47%	0.465	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-97.7	19.2	-174.5	-65.4	-46.2	0	0	0	114.4	C138 S142	C138-N140 PolarHBondContact O-N 3.17Å; N140-S142 PolarHBondContact O-N 3.48Å
141	L	95.2	Very high	92.6	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	24%	0.243	C	C	.	.			trans	-59.4	126.7	172.7	-77	169.4	0	0	0	110.3	I100 C138 S168 C169	I100-L141 HydrophobicContact CD1-CD1 4.25Å; I100-L141 HydrophobicContact CD1-CD2 3.88Å; C138-L141 HydrophobicContact CB-CD1 3.87Å; C138-L141 HydrophobicContact CB-CG 4.39Å; C138-L141 WeakPolarHBondContact O-CG 3.42Å; C138-L141 PolarHBondContact O-N 3.33Å; L141-S168 WeakPolarHBondContact CD1-OG 3.46Å; L141-C169 HydrophobicContact CB-CB 3.98Å; L141-C169 PolarHBondContact O-SG 2.78Å; L141-C169 VanDerWaalsContact O-SG 3.4Å
142	S	94.2	Very high	93.4	Very high	75 Å²	75	41.7 Å²	41.7	52%	0.524	23%	0.229	S	C	.	.			trans	-118	4.7	-172.2	64.6	0	0	0	0	113.4	K95 N140	K95-S142 WeakPolarHBondContact CB-OG 3.45Å; K95-S142 PolarHBondContact O-N 3.46Å; K95-S142 PolarHBondContact O-OG 3.49Å; N140-S142 PolarHBondContact O-N 3.48Å
143	D	93.7	Very high	93.5	Very high	42 Å²	42	45.9 Å²	45.9	23%	0.225	25%	0.246	C	C	.	.			trans	-56.3	141.6	170	-75.5	-31.9	0	0	0	109.4	K95 S96 Y97 L167 Y261	K95-D143 PolarHBondContact O-N 3.29Å; S96-D143 WeakPolarHBondContact CA-OD2 3.45Å; S96-D143 VanDerWaalsContact CB-OD1 3.22Å; S96-D143 WeakPolarHBondContact CB-OD1 3.19Å; S96-D143 WeakPolarHBondContact CB-OD2 3.38Å; Y97-D143 PolarHBondContact N-OD2 3.29Å; D143-L167 HydrophobicContact CB-CD1 3.99Å; D143-L167 WeakPolarHBondContact O-CD1 3.31Å; D143-Y261 VanDerWaalsContact CB-OH 3.32Å; D143-Y261 WeakPolarHBondContact CB-OH 2.81Å; D143-Y261 WeakPolarHBondContact OD2-CE2 3.37Å; D143-Y261 PolarHBondContact OD2-OH 3.36Å
144	S	92.7	Very high	92.7	Very high	113 Å²	113	46.6 Å²	46.6	79%	0.79	25%	0.251	S	S	*	.	S	Bend	trans	-123.2	141.9	-176	179.6	0	0	0	0	109.9
145	P	94.5	Very high	91.8	Very high	56 Å²	56	53.1 Å²	53.1	36%	0.364	28%	0.28	S	S	.	.			cis	-77.9	151.2	-2.7	30.2	-32.6	0	0	0	113.4	E148	P145-E148 HydrophobicContact CB-CB 4.17Å; P145-E148 HydrophobicContact CG-CB 3.62Å; P145-E148 HydrophobicContact CG-CG 3.72Å; P145-E148 WeakPolarHBondContact CG-OE2 3.34Å
146	R	94.7	Very high	90.8	Very high	86 Å²	86	57.5 Å²	57.5	33%	0.325	31%	0.307	S	S	.	.	S	Bend	trans	-77	-36.6	175.7	-62	179	71.5	-146.1	-3.5	112.4	L167 C169 V170 E174	R146-L167 HydrophobicContact CB-CD1 4.35Å; R146-L167 HydrophobicContact CG-CD1 4.14Å; R146-L167 PolarHBondContact O-N 2.91Å; R146-C169 PolarHBondContact NE-SG 3.03Å; R146-C169 PolarHBondContact NH2-O 3.05Å; R146-C169 VanDerWaalsContact NH2-O 3.17Å; R146-C169 PolarHBondContact NH2-SG 3.02Å; R146-C169 VanDerWaalsContact NH2-SG 3.41Å; R146-V170 HydrophobicContact CB-CG2 4.29Å; R146-V170 WeakPolarHBondContact O-CG2 3.32Å; R146-E174 IonicContact CZ-OE1 3.95Å; R146-E174 VanDerWaalsContact CZ-OE1 3.25Å; R146-E174 IonicContact CZ-OE2 2.82Å; R146-E174 IonicContact NE-OE1 2.94Å; R146-E174 IonicContact NH1-OE1 3.74Å; R146-E174 PolarHBondContact NH1-OE1 3.5Å; R146-E174 IonicContact NH1-OE2 2.99Å; R146-E174 PolarHBondContact NH1-OE2 2.99Å; R146-E174 IonicContact NH2-OE1 3.38Å; R146-E174 IonicContact NH2-OE2 3.73Å; R146-E174 PolarHBondContact NH2-OE2 2.71Å
147	I	97.3	Very high	89.9	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.077	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125	175	-54.3	174.6	0	0	0	108	L164 K165 L166 V170 E174 Y178	I147-L164 HydrophobicContact CG2-CD1 3.59Å; I147-L164 HydrophobicContact CG2-CD2 4.12Å; I147-L164 HydrophobicContact CG2-CG 3.85Å; I147-K165 VanDerWaalsContact CA-O 3.31Å; I147-K165 WeakPolarHBondContact CA-O 3.46Å; I147-L166 HydrophobicContact CB-CD2 4.06Å; I147-L166 HydrophobicContact CD1-CD2 4.2Å; I147-L166 HydrophobicContact CG1-CD2 3.7Å; I147-L166 HydrophobicContact CG2-CD2 3.52Å; I147-V170 HydrophobicContact CD1-CG1 3.76Å; I147-V170 HydrophobicContact CD1-CG2 4.25Å; I147-V170 HydrophobicContact CG1-CG1 4.05Å; I147-V170 HydrophobicContact CG1-CG2 3.69Å; I147-E174 HydrophobicContact CD1-CG 3.98Å; I147-Y178 HydrophobicContact CB-CD2 3.9Å; I147-Y178 HydrophobicContact CB-CE2 3.83Å; I147-Y178 HydrophobicContact CB-CG 4.34Å; I147-Y178 HydrophobicContact CD1-CD2 3.88Å; I147-Y178 HydrophobicContact CD1-CG 3.94Å; I147-Y178 HydrophobicContact CG1-CD2 4.48Å; I147-Y178 HydrophobicContact CG2-CD1 3.71Å; I147-Y178 HydrophobicContact CG2-CD2 3.78Å; I147-Y178 HydrophobicContact CG2-CE1 3.61Å; I147-Y178 HydrophobicContact CG2-CE2 3.66Å; I147-Y178 HydrophobicContact CG2-CG 3.8Å
148	E	96.2	Very high	89.3	Confident	55 Å²	55	63.1 Å²	63.1	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.1	176.7	60.1	165.4	-158.9	0	0	113.5	P145 V150 K165	P145-E148 HydrophobicContact CB-CB 4.17Å; P145-E148 HydrophobicContact CG-CB 3.62Å; P145-E148 HydrophobicContact CG-CG 3.72Å; P145-E148 WeakPolarHBondContact CG-OE2 3.34Å; E148-V150 HydrophobicContact CG-CG1 3.79Å; E148-V150 VanDerWaalsContact OE1-CG1 3.23Å; E148-V150 WeakPolarHBondContact OE1-CG1 3.25Å; E148-K165 HydrophobicContact CG-CB 4.13Å; E148-K165 PolarHBondContact N-O 3.09Å; E148-K165 PolarHBondContact O-N 3.34Å; E148-K165 WeakPolarHBondContact OE1-CE 3.04Å; E148-K165 IonicContact OE1-NZ 3.72Å; E148-K165 PolarHBondContact OE1-NZ 3.15Å
149	F	96.8	Very high	88.7	Confident	88 Å²	88	69.7 Å²	69.7	39%	0.386	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.7	168.1	-66.2	-78.5	0	0	0	110.2	L164 Y178 H182 I184 Y267	F149-L164 HydrophobicContact CD1-CD1 4.12Å; F149-L164 HydrophobicContact CE1-CD1 4.06Å; F149-L164 HydrophobicContact CG-CD1 4.49Å; F149-L164 HydrophobicContact CZ-CD1 4.35Å; F149-Y178 AromaticContact CE2-CE1 3.95Å; F149-Y178 HydrophobicContact CE2-CE1 3.95Å; F149-Y178 WeakPolarHBondContact CE2-OH 3.48Å; F149-Y178 HydrophobicContact CZ-CE1 4Å; F149-H182 HydrophobicContact CE2-CB 4.28Å; F149-H182 AromaticContact CE2-CD2 3.86Å; F149-H182 HydrophobicContact CZ-CB 3.93Å; F149-I184 HydrophobicContact CE1-CD1 3.84Å; F149-I184 HydrophobicContact CE1-CG2 4.23Å; F149-I184 HydrophobicContact CZ-CD1 3.97Å; F149-I184 HydrophobicContact CZ-CG2 4.37Å; F149-Y267 AromaticContact CD1-CE1 3.72Å; F149-Y267 HydrophobicContact CD1-CE1 3.72Å; F149-Y267 AromaticContact CD1-CZ 3.7Å; F149-Y267 HydrophobicContact CE1-CD1 4.48Å; F149-Y267 AromaticContact CE1-CE1 3.94Å; F149-Y267 HydrophobicContact CE1-CE1 3.94Å; F149-Y267 HydrophobicContact CE1-CE2 4.09Å; F149-Y267 AromaticContact CE1-CZ 3.73Å
150	V	95.9	Very high	88.4	Confident	27 Å²	27	73.9 Å²	73.9	16%	0.164	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.2	-178.9	-61.9	0	0	0	0	111.3	E148 I152 G163 K165 T264	E148-V150 HydrophobicContact CG-CG1 3.79Å; E148-V150 VanDerWaalsContact OE1-CG1 3.23Å; E148-V150 WeakPolarHBondContact OE1-CG1 3.25Å; V150-I152 HydrophobicContact CG2-CD1 4.36Å; V150-I152 HydrophobicContact CG2-CG1 4.25Å; V150-G163 PolarHBondContact N-O 2.92Å; V150-G163 PolarHBondContact O-N 3.49Å; V150-K165 HydrophobicContact CG1-CB 3.97Å; V150-K165 HydrophobicContact CG2-CB 3.93Å; V150-T264 HydrophobicContact CG2-CG2 3.61Å
151	N	92.5	Very high	88.3	Confident	101 Å²	101	72.1 Å²	72.1	54%	0.54	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.7	166.7	-67.4	-23.3	0	0	0	108.5	Q162	N151-Q162 WeakPolarHBondContact OD1-CG 3.39Å
152	I	88.2	Confident	88.1	Confident	24 Å²	24	77.7 Å²	77.7	12%	0.123	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.4	174.7	-60.4	-75.1	0	0	0	107.9	V150 E160 I161 I227 A228 T264	V150-I152 HydrophobicContact CG2-CD1 4.36Å; V150-I152 HydrophobicContact CG2-CG1 4.25Å; I152-E160 WeakPolarHBondContact O-CA 3.49Å; I152-I161 PolarHBondContact N-O 3.12Å; I152-I161 PolarHBondContact O-N 2.92Å; I152-I227 HydrophobicContact CB-CD1 4.46Å; I152-I227 HydrophobicContact CG1-CD1 4.17Å; I152-A228 HydrophobicContact CD1-CB 3.91Å; I152-A228 HydrophobicContact CG1-CB 4.28Å; I152-A228 HydrophobicContact CG2-CB 4.41Å; I152-T264 HydrophobicContact CD1-CG2 4.38Å; I152-T264 HydrophobicContact CG1-CG2 3.93Å
153	K	84.2	Confident	88.2	Confident	131 Å²	131	74.1 Å²	74.1	57%	0.57	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.5	171.2	-167.3	171.4	-175.6	169.3	0	109.3	K155 G158 E160	K153-K155 PolarHBondContact O-N 3.29Å; K153-G158 WeakPolarHBondContact CE-O 3.45Å; K153-E160 HydrophobicContact CB-CG 4.32Å; K153-E160 HydrophobicContact CG-CG 4.31Å
154	C	72.6	Confident	88.3	Confident	15 Å²	15	72.1 Å²	72.1	10%	0.101	38%	0.375	C	S	.	.			trans	-62.5	122.7	177.8	179.5	0	0	0	0	110.1	T156 T157 G158 K159	C154-T156 PolarHBondContact O-N 3.41Å; C154-T156 PolarHBondContact SG-OG1 2.78Å; C154-T157 WeakPolarHBondContact CB-OG1 3.45Å; C154-T157 PolarHBondContact SG-OG1 3.23Å; C154-T157 VanDerWaalsContact SG-OG1 3.39Å; C154-G158 VanDerWaalsContact O-CA 3.23Å; C154-G158 WeakPolarHBondContact O-CA 3.37Å; C154-G158 PolarHBondContact O-N 3.14Å; C154-K159 PolarHBondContact N-O 3.14Å
155	K	75.9	Confident	88.6	Confident	138 Å²	138	68.6 Å²	68.6	60%	0.6	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.2	-175.2	-68.8	175.9	-177	164.7	0	113.2	K153 E240 S242	K153-K155 PolarHBondContact O-N 3.29Å; K155-E240 PolarHBondContact NZ-O 3.07Å; K155-S242 WeakPolarHBondContact CE-OG 3.5Å
156	T	73.6	Confident	88.7	Confident	92 Å²	92	65.9 Å²	65.9	56%	0.564	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-41.6	-176.5	46.8	0	0	0	0	113.2	C154	C154-T156 PolarHBondContact O-N 3.41Å; C154-T156 PolarHBondContact SG-OG1 2.78Å
157	T	77.1	Confident	88.8	Confident	101 Å²	101	62.1 Å²	62.1	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-15.8	-175.9	63.1	0	0	0	0	113.5	C154 K159	C154-T157 WeakPolarHBondContact CB-OG1 3.45Å; C154-T157 PolarHBondContact SG-OG1 3.23Å; C154-T157 VanDerWaalsContact SG-OG1 3.39Å; T157-K159 PolarHBondContact O-N 2.87Å; T157-K159 VanDerWaalsContact O-N 3.13Å; T157-K159 PolarHBondContact OG1-N 2.86Å
158	G	80.3	Confident	88.7	Confident	37 Å²	37	61.6 Å²	61.6	38%	0.381	31%	0.312	S	S	.	.			trans	69.2	-1.5	-172.8	0	0	0	0	0	114.4	K153 C154	K153-G158 WeakPolarHBondContact CE-O 3.45Å; C154-G158 VanDerWaalsContact O-CA 3.23Å; C154-G158 WeakPolarHBondContact O-CA 3.37Å; C154-G158 PolarHBondContact O-N 3.14Å
159	K	83.1	Confident	88.7	Confident	143 Å²	143	59 Å²	59	62%	0.622	30%	0.3	S	S	*	.			trans	-70.1	133.6	180	-171.2	178.4	179.4	-178.7	0	110.1	C154 T157	C154-K159 PolarHBondContact N-O 3.14Å; T157-K159 PolarHBondContact O-N 2.87Å; T157-K159 VanDerWaalsContact O-N 3.13Å; T157-K159 PolarHBondContact OG1-N 2.86Å
160	E	86.5	Confident	88.6	Confident	120 Å²	120	54.9 Å²	54.9	56%	0.561	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.8	170.3	-70.7	-176.2	-179	0	0	110.2	I152 K153	I152-E160 WeakPolarHBondContact O-CA 3.49Å; K153-E160 HydrophobicContact CB-CG 4.32Å; K153-E160 HydrophobicContact CG-CG 4.31Å
161	I	89	Confident	88.4	Confident	49 Å²	49	54.6 Å²	54.6	25%	0.251	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.8	178.5	-54.9	175.8	0	0	0	106.9	I152 I227	I152-I161 PolarHBondContact N-O 3.12Å; I152-I161 PolarHBondContact O-N 2.92Å; I161-I227 HydrophobicContact CB-CD1 4.26Å; I161-I227 HydrophobicContact CG2-CD1 3.74Å; I161-I227 HydrophobicContact CG2-CG2 4.45Å
162	Q	91.4	Very high	88.2	Confident	124 Å²	124	50.2 Å²	50.2	58%	0.579	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.1	171	-66.9	-175.4	-7	0	0	109.3	N151 Y267	N151-Q162 WeakPolarHBondContact OD1-CG 3.39Å; Q162-Y267 HydrophobicContact CB-CE1 4.33Å; Q162-Y267 PolarHBondContact OE1-OH 3.37Å
163	G	95.4	Very high	88.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	166	178	0	0	0	0	0	112.5	V150 L265	V150-G163 PolarHBondContact N-O 2.92Å; V150-G163 PolarHBondContact O-N 3.49Å; G163-L265 CarbonylContact C-O 3.57Å; G163-L265 VanDerWaalsContact CA-O 3.22Å; G163-L265 WeakPolarHBondContact CA-O 3.42Å
164	L	97.4	Very high	88.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110	175.7	-171.4	71.4	0	0	0	108.1	I147 F149 L166 L175 Y178 I184 T264 L265 Y267	I147-L164 HydrophobicContact CG2-CD1 3.59Å; I147-L164 HydrophobicContact CG2-CD2 4.12Å; I147-L164 HydrophobicContact CG2-CG 3.85Å; F149-L164 HydrophobicContact CD1-CD1 4.12Å; F149-L164 HydrophobicContact CE1-CD1 4.06Å; F149-L164 HydrophobicContact CG-CD1 4.49Å; F149-L164 HydrophobicContact CZ-CD1 4.35Å; L164-L166 HydrophobicContact CD2-CD2 3.89Å; L164-L166 HydrophobicContact CG-CD2 3.91Å; L164-L175 HydrophobicContact CD2-CD1 3.61Å; L164-Y178 HydrophobicContact CD1-CD1 4.21Å; L164-Y178 HydrophobicContact CD1-CE1 3.62Å; L164-Y178 HydrophobicContact CD2-CD1 4.37Å; L164-I184 HydrophobicContact CD1-CD1 4.16Å; L164-I184 HydrophobicContact CD2-CD1 3.85Å; L164-T264 WeakPolarHBondContact O-CA 3.42Å; L164-L265 PolarHBondContact N-O 3.47Å; L164-L265 PolarHBondContact O-N 3.29Å; L164-Y267 HydrophobicContact CB-CD1 4.02Å
165	K	97.4	Very high	89.6	Confident	38 Å²	38	47 Å²	47	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.6	177	-172.1	176.6	66.6	-173.4	0	109.9	I147 E148 V150 D262 V263	I147-K165 VanDerWaalsContact CA-O 3.31Å; I147-K165 WeakPolarHBondContact CA-O 3.46Å; E148-K165 HydrophobicContact CG-CB 4.13Å; E148-K165 PolarHBondContact N-O 3.09Å; E148-K165 PolarHBondContact O-N 3.34Å; E148-K165 WeakPolarHBondContact OE1-CE 3.04Å; E148-K165 IonicContact OE1-NZ 3.72Å; E148-K165 PolarHBondContact OE1-NZ 3.15Å; V150-K165 HydrophobicContact CG1-CB 3.97Å; V150-K165 HydrophobicContact CG2-CB 3.93Å; K165-D262 HydrophobicContact CD-CB 4.49Å; K165-D262 HydrophobicContact CG-CB 4.17Å; K165-V263 CarbonylContact C-O 3.54Å; K165-V263 WeakPolarHBondContact CA-O 3.19Å
166	L	97.5	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.4	-176.1	-51.6	176.9	0	0	0	109.5	I147 L164 V170 L175 I199 D262 V263 L265	I147-L166 HydrophobicContact CB-CD2 4.06Å; I147-L166 HydrophobicContact CD1-CD2 4.2Å; I147-L166 HydrophobicContact CG1-CD2 3.7Å; I147-L166 HydrophobicContact CG2-CD2 3.52Å; L164-L166 HydrophobicContact CD2-CD2 3.89Å; L164-L166 HydrophobicContact CG-CD2 3.91Å; L166-V170 HydrophobicContact CB-CB 4.34Å; L166-V170 HydrophobicContact CB-CG2 4.29Å; L166-V170 HydrophobicContact CD2-CG1 4.36Å; L166-L175 HydrophobicContact CD1-CD1 4.01Å; L166-L175 HydrophobicContact CD1-CD2 4.11Å; L166-L175 HydrophobicContact CD2-CD1 3.9Å; L166-I199 HydrophobicContact CD1-CB 4.41Å; L166-I199 HydrophobicContact CD1-CG1 4.37Å; L166-I199 HydrophobicContact CD1-CG2 3.91Å; L166-D262 WeakPolarHBondContact O-CA 3.38Å; L166-D262 WeakPolarHBondContact O-CB 3.44Å; L166-V263 HydrophobicContact CB-CG2 4.11Å; L166-V263 PolarHBondContact N-O 3.4Å; L166-V263 PolarHBondContact O-N 3.29Å; L166-L265 HydrophobicContact CD1-CD1 3.57Å; L166-L265 HydrophobicContact CD1-CG 4.13Å
167	L	97.1	Very high	91.1	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	154.3	167.6	-73.9	-176	0	0	0	111	D143 R146 C169 V170 Y261 D262	D143-L167 HydrophobicContact CB-CD1 3.99Å; D143-L167 WeakPolarHBondContact O-CD1 3.31Å; R146-L167 HydrophobicContact CB-CD1 4.35Å; R146-L167 HydrophobicContact CG-CD1 4.14Å; R146-L167 PolarHBondContact O-N 2.91Å; L167-C169 PolarHBondContact O-N 3.4Å; L167-C169 VanDerWaalsContact O-N 3.09Å; L167-V170 HydrophobicContact CB-CG2 4.41Å; L167-V170 WeakPolarHBondContact O-CB 3.46Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.48Å; L167-V170 PolarHBondContact O-N 3.43Å; L167-Y261 HydrophobicContact CD2-CD2 4.47Å; L167-Y261 HydrophobicContact CD2-CE1 4.04Å; L167-Y261 HydrophobicContact CD2-CE2 3.94Å; L167-D262 HydrophobicContact CD2-CB 4.16Å
168	S	95.4	Very high	91.9	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.2	-176.9	58.4	0	0	0	0	115.3	L141 V170 T198 V260 Y261	L141-S168 WeakPolarHBondContact CD1-OG 3.46Å; S168-V170 VanDerWaalsContact C-N 3.35Å; S168-T198 WeakPolarHBondContact O-CB 3.24Å; S168-V260 WeakPolarHBondContact CB-O 3.49Å; S168-V260 PolarHBondContact OG-O 3.44Å; S168-V260 VanDerWaalsContact OG-O 3.06Å; S168-Y261 PolarHBondContact N-O 3.4Å; S168-Y261 PolarHBondContact OG-O 2.99Å
169	C	94.8	Very high	92.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.4	172.8	66.1	0	0	0	0	114.6	C138 V139 L141 R146 L167 T171	C138-C169 WeakPolarHBondContact O-CB 3.44Å; V139-C169 WeakPolarHBondContact O-CB 3.44Å; L141-C169 HydrophobicContact CB-CB 3.98Å; L141-C169 PolarHBondContact O-SG 2.78Å; L141-C169 VanDerWaalsContact O-SG 3.4Å; R146-C169 PolarHBondContact NE-SG 3.03Å; R146-C169 PolarHBondContact NH2-O 3.05Å; R146-C169 VanDerWaalsContact NH2-O 3.17Å; R146-C169 PolarHBondContact NH2-SG 3.02Å; R146-C169 VanDerWaalsContact NH2-SG 3.41Å; L167-C169 PolarHBondContact O-N 3.4Å; L167-C169 VanDerWaalsContact O-N 3.09Å; C169-T171 PolarHBondContact O-N 3.31Å
170	V	95.1	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.			trans	-68.7	120.4	-177.8	174.7	0	0	0	0	109.6	R146 I147 L166 L167 S168 E174 L175 T198 I199	R146-V170 HydrophobicContact CB-CG2 4.29Å; R146-V170 WeakPolarHBondContact O-CG2 3.32Å; I147-V170 HydrophobicContact CD1-CG1 3.76Å; I147-V170 HydrophobicContact CD1-CG2 4.25Å; I147-V170 HydrophobicContact CG1-CG1 4.05Å; I147-V170 HydrophobicContact CG1-CG2 3.69Å; L166-V170 HydrophobicContact CB-CB 4.34Å; L166-V170 HydrophobicContact CB-CG2 4.29Å; L166-V170 HydrophobicContact CD2-CG1 4.36Å; L167-V170 HydrophobicContact CB-CG2 4.41Å; L167-V170 WeakPolarHBondContact O-CB 3.46Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.48Å; L167-V170 PolarHBondContact O-N 3.43Å; S168-V170 VanDerWaalsContact C-N 3.35Å; V170-E174 HydrophobicContact CG1-CB 4.39Å; V170-E174 HydrophobicContact CG1-CG 4.48Å; V170-L175 HydrophobicContact CG1-CB 4.23Å; V170-T198 WeakPolarHBondContact O-CA 3.36Å; V170-I199 PolarHBondContact O-N 2.88Å; V170-I199 VanDerWaalsContact O-N 3.07Å
171	T	92	Very high	93	Very high	22 Å²	22	29.7 Å²	29.7	14%	0.135	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-79.5	158.8	175.8	66.5	0	0	0	0	110.9	C169 N173 E174 L175 Q196 D197	C169-T171 PolarHBondContact O-N 3.31Å; T171-N173 VanDerWaalsContact C-N 3.29Å; T171-N173 PolarHBondContact O-N 3.28Å; T171-E174 PolarHBondContact O-N 3.3Å; T171-E174 VanDerWaalsContact OG1-CB 3.28Å; T171-E174 WeakPolarHBondContact OG1-CB 3.29Å; T171-E174 PolarHBondContact OG1-N 3.48Å; T171-E174 VanDerWaalsContact OG1-N 3.15Å; T171-L175 PolarHBondContact O-N 2.91Å; T171-Q196 WeakPolarHBondContact CG2-O 3.14Å; T171-D197 CarbonylContact C-O 3.59Å; T171-D197 WeakPolarHBondContact CA-O 3.37Å
172	I	88.6	Confident	93.2	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-42	174.7	-71.1	165.4	0	0	0	110.9	E174 L175 I176 V190 T192 D197 I199	I172-E174 PolarHBondContact O-N 3.19Å; I172-L175 PolarHBondContact O-N 3.25Å; I172-I176 HydrophobicContact CG2-CD1 3.71Å; I172-I176 HydrophobicContact CG2-CG1 4.32Å; I172-I176 VanDerWaalsContact O-CG1 3.32Å; I172-I176 WeakPolarHBondContact O-CG1 3.36Å; I172-I176 PolarHBondContact O-N 2.68Å; I172-V190 HydrophobicContact CD1-CB 4.44Å; I172-T192 HydrophobicContact CD1-CG2 3.09Å; I172-T192 WeakPolarHBondContact CD1-OG1 3.38Å; I172-D197 HydrophobicContact CD1-CB 3.79Å; I172-D197 WeakPolarHBondContact CG1-O 3.48Å; I172-D197 PolarHBondContact N-O 3.31Å; I172-I199 HydrophobicContact CB-CD1 4.41Å; I172-I199 HydrophobicContact CG1-CD1 3.53Å; I172-I199 HydrophobicContact CG1-CG1 4.2Å
173	N	87.9	Confident	93.3	Very high	45 Å²	45	29.9 Å²	29.9	24%	0.241	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-43.6	177.6	-166.3	60.6	0	0	0	112.6	T171 L175 I176 H177 I195	T171-N173 VanDerWaalsContact C-N 3.29Å; T171-N173 PolarHBondContact O-N 3.28Å; N173-L175 VanDerWaalsContact C-N 3.31Å; N173-L175 PolarHBondContact O-N 2.86Å; N173-I176 PolarHBondContact O-N 3.13Å; N173-H177 PolarHBondContact ND2-CD2 3.39Å; N173-H177 PolarHBondContact ND2-NE2 2.92Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 PolarHBondContact O-CD2 2.95Å; N173-H177 PolarHBondContact O-N 2.62Å; N173-H177 PolarHBondContact OD1-NE2 3.45Å; N173-I195 HydrophobicContact CB-CB 4.13Å; N173-I195 HydrophobicContact CB-CD1 3.93Å; N173-I195 HydrophobicContact CB-CG1 4.26Å; N173-I195 PolarHBondContact N-O 3.02Å; N173-I195 VanDerWaalsContact N-O 3.16Å
174	E	92.3	Very high	93.2	Very high	51 Å²	51	30.4 Å²	30.4	24%	0.238	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-43.1	176.9	-174.6	179.6	170.3	0	0	111.1	R146 I147 V170 T171 I172 H177 Y178	R146-E174 IonicContact CZ-OE1 3.95Å; R146-E174 VanDerWaalsContact CZ-OE1 3.25Å; R146-E174 IonicContact CZ-OE2 2.82Å; R146-E174 IonicContact NE-OE1 2.94Å; R146-E174 IonicContact NH1-OE1 3.74Å; R146-E174 PolarHBondContact NH1-OE1 3.5Å; R146-E174 IonicContact NH1-OE2 2.99Å; R146-E174 PolarHBondContact NH1-OE2 2.99Å; R146-E174 IonicContact NH2-OE1 3.38Å; R146-E174 IonicContact NH2-OE2 3.73Å; R146-E174 PolarHBondContact NH2-OE2 2.71Å; I147-E174 HydrophobicContact CD1-CG 3.98Å; V170-E174 HydrophobicContact CG1-CB 4.39Å; V170-E174 HydrophobicContact CG1-CG 4.48Å; T171-E174 PolarHBondContact O-N 3.3Å; T171-E174 VanDerWaalsContact OG1-CB 3.28Å; T171-E174 WeakPolarHBondContact OG1-CB 3.29Å; T171-E174 PolarHBondContact OG1-N 3.48Å; T171-E174 VanDerWaalsContact OG1-N 3.15Å; I172-E174 PolarHBondContact O-N 3.19Å; E174-H177 PolarHBondContact O-N 3.27Å; E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.83Å
175	L	93.8	Very high	92.9	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-44.9	175.7	177.1	64.3	0	0	0	112.2	L164 L166 V170 T171 I172 N173 H177 Y178 Q179 I186 I199	L164-L175 HydrophobicContact CD2-CD1 3.61Å; L166-L175 HydrophobicContact CD1-CD1 4.01Å; L166-L175 HydrophobicContact CD1-CD2 4.11Å; L166-L175 HydrophobicContact CD2-CD1 3.9Å; V170-L175 HydrophobicContact CG1-CB 4.23Å; T171-L175 PolarHBondContact O-N 2.91Å; I172-L175 PolarHBondContact O-N 3.25Å; N173-L175 VanDerWaalsContact C-N 3.31Å; N173-L175 PolarHBondContact O-N 2.86Å; L175-H177 PolarHBondContact O-N 3.39Å; L175-Y178 WeakPolarHBondContact O-CB 3.18Å; L175-Y178 PolarHBondContact O-N 2.86Å; L175-Q179 HydrophobicContact CD1-CG 4.28Å; L175-Q179 HydrophobicContact CG-CG 4.44Å; L175-Q179 WeakPolarHBondContact O-CB 3.36Å; L175-Q179 WeakPolarHBondContact O-CG 3.19Å; L175-Q179 PolarHBondContact O-N 3.17Å; L175-I186 HydrophobicContact CD1-CD1 4.26Å; L175-I186 HydrophobicContact CD2-CD1 3.73Å; L175-I186 HydrophobicContact CG-CD1 4.49Å; L175-I199 HydrophobicContact CB-CD1 4.42Å; L175-I199 HydrophobicContact CB-CG1 4.33Å; L175-I199 HydrophobicContact CD2-CD1 3.37Å; L175-I199 HydrophobicContact CD2-CG1 3.8Å
176	I	90.5	Very high	92.7	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-48	178.3	-71.4	166.6	0	0	0	110.2	I172 N173 Y178 Q179 I180 P453 N457	I172-I176 HydrophobicContact CG2-CD1 3.71Å; I172-I176 HydrophobicContact CG2-CG1 4.32Å; I172-I176 VanDerWaalsContact O-CG1 3.32Å; I172-I176 WeakPolarHBondContact O-CG1 3.36Å; I172-I176 PolarHBondContact O-N 2.68Å; N173-I176 PolarHBondContact O-N 3.13Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3.39Å; I176-Q179 WeakPolarHBondContact O-CB 3.06Å; I176-Q179 PolarHBondContact O-N 3.06Å; I176-I180 WeakPolarHBondContact O-CG1 3.5Å; I176-I180 PolarHBondContact O-N 3.38Å; I176-I180 VanDerWaalsContact O-N 3.09Å; I176-P453 HydrophobicContact CG2-CB 4.11Å; I176-N457 HydrophobicContact CD1-CB 3.72Å
177	H	89.9	Confident	92.4	Very high	76 Å²	76	29 Å²	29	35%	0.352	15%	0.145	S	C	.	.	H	α-helix	trans	-62.7	-40.4	176.6	-72.4	-56.4	0	0	0	112.2	N173 E174 L175 Q179 I180 N181	N173-H177 PolarHBondContact ND2-CD2 3.39Å; N173-H177 PolarHBondContact ND2-NE2 2.92Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 PolarHBondContact O-CD2 2.95Å; N173-H177 PolarHBondContact O-N 2.62Å; N173-H177 PolarHBondContact OD1-NE2 3.45Å; E174-H177 PolarHBondContact O-N 3.27Å; L175-H177 PolarHBondContact O-N 3.39Å; H177-Q179 VanDerWaalsContact C-N 3.31Å; H177-Q179 PolarHBondContact O-N 2.88Å; H177-I180 PolarHBondContact O-N 3.42Å; H177-N181 WeakPolarHBondContact O-CB 3.24Å; H177-N181 PolarHBondContact O-N 3.21Å; H177-N181 PolarHBondContact O-ND2 2.84Å
178	Y	94.3	Very high	92.1	Very high	43 Å²	43	28.7 Å²	28.7	17%	0.169	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-42.7	175.9	-167.1	-81.9	0	0	0	111.6	I147 F149 L164 E174 L175 I176 N181 H182	I147-Y178 HydrophobicContact CB-CD2 3.9Å; I147-Y178 HydrophobicContact CB-CE2 3.83Å; I147-Y178 HydrophobicContact CB-CG 4.34Å; I147-Y178 HydrophobicContact CD1-CD2 3.88Å; I147-Y178 HydrophobicContact CD1-CG 3.94Å; I147-Y178 HydrophobicContact CG1-CD2 4.48Å; I147-Y178 HydrophobicContact CG2-CD1 3.71Å; I147-Y178 HydrophobicContact CG2-CD2 3.78Å; I147-Y178 HydrophobicContact CG2-CE1 3.61Å; I147-Y178 HydrophobicContact CG2-CE2 3.66Å; I147-Y178 HydrophobicContact CG2-CG 3.8Å; F149-Y178 AromaticContact CE2-CE1 3.95Å; F149-Y178 HydrophobicContact CE2-CE1 3.95Å; F149-Y178 WeakPolarHBondContact CE2-OH 3.48Å; F149-Y178 HydrophobicContact CZ-CE1 4Å; L164-Y178 HydrophobicContact CD1-CD1 4.21Å; L164-Y178 HydrophobicContact CD1-CE1 3.62Å; L164-Y178 HydrophobicContact CD2-CD1 4.37Å; E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.83Å; L175-Y178 WeakPolarHBondContact O-CB 3.18Å; L175-Y178 PolarHBondContact O-N 2.86Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3.39Å; Y178-N181 PolarHBondContact O-N 3.4Å; Y178-H182 AromaticContact CD1-ND1 3.52Å; Y178-H182 AromaticContact CD2-CE1 3.58Å; Y178-H182 AromaticContact CD2-ND1 3.8Å; Y178-H182 HydrophobicContact CE1-CB 4.3Å; Y178-H182 AromaticContact CE1-CE1 3.76Å; Y178-H182 AromaticContact CE1-CG 3.76Å; Y178-H182 AromaticContact CE1-ND1 3.43Å; Y178-H182 WeakPolarHBondContact CE1-ND1 3.49Å; Y178-H182 AromaticContact CE2-CE1 3.25Å; Y178-H182 WeakPolarHBondContact CE2-CE1 3.48Å; Y178-H182 AromaticContact CE2-ND1 3.73Å; Y178-H182 AromaticContact CE2-NE2 3.87Å; Y178-H182 AromaticContact CG-CE1 3.98Å; Y178-H182 AromaticContact CG-ND1 3.71Å; Y178-H182 AromaticContact CZ-CE1 3.35Å; Y178-H182 AromaticContact CZ-CG 3.99Å; Y178-H182 AromaticContact CZ-ND1 3.54Å; Y178-H182 AromaticContact CZ-NE2 3.68Å; Y178-H182 PolarHBondContact O-N 2.98Å; Y178-H182 VanDerWaalsContact O-N 3.09Å; Y178-H182 PolarHBondContact O-ND1 3.23Å
179	Q	93.3	Very high	91.7	Very high	3 Å²	3	29 Å²	29	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-50.8	177	-82	176.8	-123.1	0	0	112	L175 I176 H177 H182 N183 I184 E185 Y189 P453	L175-Q179 HydrophobicContact CD1-CG 4.28Å; L175-Q179 HydrophobicContact CG-CG 4.44Å; L175-Q179 WeakPolarHBondContact O-CB 3.36Å; L175-Q179 WeakPolarHBondContact O-CG 3.19Å; L175-Q179 PolarHBondContact O-N 3.17Å; I176-Q179 WeakPolarHBondContact O-CB 3.06Å; I176-Q179 PolarHBondContact O-N 3.06Å; H177-Q179 VanDerWaalsContact C-N 3.31Å; H177-Q179 PolarHBondContact O-N 2.88Å; Q179-H182 PolarHBondContact O-N 3.16Å; Q179-N183 PolarHBondContact O-N 2.86Å; Q179-I184 CarbonylContact C-O 3.4Å; Q179-I184 WeakPolarHBondContact CA-O 3.22Å; Q179-I184 HydrophobicContact CB-CG1 4.5Å; Q179-I184 WeakPolarHBondContact CB-O 3.45Å; Q179-I184 HydrophobicContact CG-CG1 4.31Å; Q179-I184 PolarHBondContact O-N 2.98Å; Q179-I184 VanDerWaalsContact O-O 3.07Å; Q179-E185 VanDerWaalsContact NE2-CA 3.3Å; Q179-Y189 PolarHBondContact NE2-OH 3.45Å; Q179-P453 HydrophobicContact CB-CG 4.22Å
180	I	89.5	Confident	91	Very high	20 Å²	20	29.2 Å²	29.2	10%	0.103	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-51.3	176.9	-58.9	-53	0	0	0	110.8	I176 H177 H182 N183 I270 Y451 P453 W454	I176-I180 WeakPolarHBondContact O-CG1 3.5Å; I176-I180 PolarHBondContact O-N 3.38Å; I176-I180 VanDerWaalsContact O-N 3.09Å; H177-I180 PolarHBondContact O-N 3.42Å; I180-H182 PolarHBondContact O-N 3.31Å; I180-H182 VanDerWaalsContact O-N 3.14Å; I180-N183 PolarHBondContact O-N 3.04Å; I180-N183 VanDerWaalsContact O-N 3.16Å; I180-I270 HydrophobicContact CD1-CD1 3.48Å; I180-I270 VanDerWaalsContact CD1-CD1 3.48Å; I180-Y451 HydrophobicContact CD1-CD2 4.21Å; I180-Y451 HydrophobicContact CD1-CG 3.93Å; I180-P453 HydrophobicContact CD1-CB 4.08Å; I180-P453 HydrophobicContact CD1-CG 3.87Å; I180-W454 HydrophobicContact CD1-CD2 4.37Å; I180-W454 HydrophobicContact CD1-CG 4.38Å; I180-W454 HydrophobicContact CG1-CD2 4.45Å; I180-W454 HydrophobicContact CG1-CZ2 4.11Å; I180-W454 HydrophobicContact CG2-CZ2 4.19Å
181	N	91.3	Very high	89.8	Confident	121 Å²	121	29.8 Å²	29.8	65%	0.647	15%	0.149	S	C	*	.	H	α-helix	trans	-64.3	-23.4	-174	-69	-15.1	0	0	0	113.5	H177 Y178	H177-N181 WeakPolarHBondContact O-CB 3.24Å; H177-N181 PolarHBondContact O-N 3.21Å; H177-N181 PolarHBondContact O-ND2 2.84Å; Y178-N181 PolarHBondContact O-N 3.4Å
182	H	92.9	Very high	88.5	Confident	83 Å²	83	29.5 Å²	29.5	38%	0.384	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.5	-179.6	-60.5	83.8	0	0	0	113.3	F149 Y178 Q179 I180 I184	F149-H182 HydrophobicContact CE2-CB 4.28Å; F149-H182 AromaticContact CE2-CD2 3.86Å; F149-H182 HydrophobicContact CZ-CB 3.93Å; Y178-H182 AromaticContact CD1-ND1 3.52Å; Y178-H182 AromaticContact CD2-CE1 3.58Å; Y178-H182 AromaticContact CD2-ND1 3.8Å; Y178-H182 HydrophobicContact CE1-CB 4.3Å; Y178-H182 AromaticContact CE1-CE1 3.76Å; Y178-H182 AromaticContact CE1-CG 3.76Å; Y178-H182 AromaticContact CE1-ND1 3.43Å; Y178-H182 WeakPolarHBondContact CE1-ND1 3.49Å; Y178-H182 AromaticContact CE2-CE1 3.25Å; Y178-H182 WeakPolarHBondContact CE2-CE1 3.48Å; Y178-H182 AromaticContact CE2-ND1 3.73Å; Y178-H182 AromaticContact CE2-NE2 3.87Å; Y178-H182 AromaticContact CG-CE1 3.98Å; Y178-H182 AromaticContact CG-ND1 3.71Å; Y178-H182 AromaticContact CZ-CE1 3.35Å; Y178-H182 AromaticContact CZ-CG 3.99Å; Y178-H182 AromaticContact CZ-ND1 3.54Å; Y178-H182 AromaticContact CZ-NE2 3.68Å; Y178-H182 PolarHBondContact O-N 2.98Å; Y178-H182 VanDerWaalsContact O-N 3.09Å; Y178-H182 PolarHBondContact O-ND1 3.23Å; Q179-H182 PolarHBondContact O-N 3.16Å; I180-H182 PolarHBondContact O-N 3.31Å; I180-H182 VanDerWaalsContact O-N 3.14Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 HydrophobicContact CB-CG1 4.34Å; H182-I184 PolarHBondContact O-N 3.42Å
183	N	92	Very high	87.4	Confident	94 Å²	94	30.1 Å²	30.1	50%	0.503	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	39.5	-179.9	-60.1	-52.5	0	0	0	114.1	Q179 I180 I270	Q179-N183 PolarHBondContact O-N 2.86Å; I180-N183 PolarHBondContact O-N 3.04Å; I180-N183 VanDerWaalsContact O-N 3.16Å; N183-I270 HydrophobicContact CB-CG2 3.86Å; N183-I270 PolarHBondContact O-N 3.06Å
184	I	93.4	Very high	86.5	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	164.1	175.6	61.6	158.7	0	0	0	111.1	F149 L164 Q179 H182 Y267 T268	F149-I184 HydrophobicContact CE1-CD1 3.84Å; F149-I184 HydrophobicContact CE1-CG2 4.23Å; F149-I184 HydrophobicContact CZ-CD1 3.97Å; F149-I184 HydrophobicContact CZ-CG2 4.37Å; L164-I184 HydrophobicContact CD1-CD1 4.16Å; L164-I184 HydrophobicContact CD2-CD1 3.85Å; Q179-I184 CarbonylContact C-O 3.4Å; Q179-I184 WeakPolarHBondContact CA-O 3.22Å; Q179-I184 HydrophobicContact CB-CG1 4.5Å; Q179-I184 WeakPolarHBondContact CB-O 3.45Å; Q179-I184 HydrophobicContact CG-CG1 4.31Å; Q179-I184 PolarHBondContact O-N 2.98Å; Q179-I184 VanDerWaalsContact O-O 3.07Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 HydrophobicContact CB-CG1 4.34Å; H182-I184 PolarHBondContact O-N 3.42Å; I184-Y267 HydrophobicContact CB-CD2 3.8Å; I184-Y267 HydrophobicContact CB-CG 4.36Å; I184-Y267 HydrophobicContact CD1-CD2 4.25Å; 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 3.71Å; I184-Y267 HydrophobicContact CG2-CG 4.4Å; I184-T268 CarbonylContact C-O 3.52Å; I184-T268 VanDerWaalsContact CA-O 3.24Å; I184-T268 WeakPolarHBondContact CA-O 3.36Å
185	E	92.3	Very high	85.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.3	169.7	71.1	-174	-156.4	0	0	113.4	Q179 Y189 Y267 T268 P269 T271 R365 T452 P453	Q179-E185 VanDerWaalsContact NE2-CA 3.3Å; E185-Y189 WeakPolarHBondContact CB-OH 3.31Å; E185-Y267 CarbonylContact O-C 3.57Å; E185-Y267 WeakPolarHBondContact O-CA 3.49Å; E185-Y267 WeakPolarHBondContact O-CB 3.5Å; E185-T268 WeakPolarHBondContact CG-OG1 3.44Å; E185-T268 PolarHBondContact N-O 3.25Å; E185-T268 PolarHBondContact O-N 2.95Å; E185-T268 PolarHBondContact O-OG1 2.84Å; E185-P269 WeakPolarHBondContact CG-O 3.45Å; E185-T271 VanDerWaalsContact CD-OG1 3.29Å; E185-T271 PolarHBondContact OE1-OG1 2.57Å; E185-T271 PolarHBondContact OE2-N 2.78Å; E185-T271 PolarHBondContact OE2-OG1 3.08Å; E185-R365 IonicContact OE1-CZ 3.3Å; E185-R365 IonicContact OE1-NH1 2.77Å; E185-R365 PolarHBondContact OE1-NH1 3.45Å; E185-R365 IonicContact OE1-NH2 3.7Å; E185-R365 PolarHBondContact OE1-NH2 3.01Å; E185-T452 VanDerWaalsContact OE2-CB 3.24Å; E185-T452 WeakPolarHBondContact OE2-CB 3.49Å; E185-P453 HydrophobicContact CB-CG 4.25Å
186	I	93.1	Very high	84.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.167	C	C	.	.			trans	-95.9	136.4	168	-53.6	-165.5	0	0	0	107.3	L175 Q188 Y189 L222 E225 L265	L175-I186 HydrophobicContact CD1-CD1 4.26Å; L175-I186 HydrophobicContact CD2-CD1 3.73Å; L175-I186 HydrophobicContact CG-CD1 4.49Å; I186-Q188 WeakPolarHBondContact CG2-O 3.48Å; I186-Q188 PolarHBondContact O-N 3.17Å; I186-Y189 WeakPolarHBondContact O-CE2 3.5Å; I186-Y189 PolarHBondContact O-OH 3.27Å; I186-L222 HydrophobicContact CG2-CD1 3.92Å; I186-E225 HydrophobicContact CG2-CB 4.1Å; I186-E225 HydrophobicContact CG2-CG 4.03Å; I186-L265 HydrophobicContact CD1-CB 3.82Å; I186-L265 HydrophobicContact CD1-CD1 3.3Å; I186-L265 HydrophobicContact CD1-CG 4.19Å
187	N	90.8	Very high	84.2	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	17%	0.168	C	C	.	.	S	Bend	trans	-69	-35.1	-173.5	-76.9	-49.1	0	0	0	113.1	I211 S216 A217 T268 R365	N187-I211 WeakPolarHBondContact O-CG1 3.36Å; N187-S216 PolarHBondContact OD1-OG 3.07Å; N187-A217 HydrophobicContact CB-CB 4.32Å; N187-T268 PolarHBondContact OD1-OG1 2.92Å; N187-R365 PolarHBondContact OD1-NH2 3.14Å
188	Q	90.8	Very high	84.2	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.009	15%	0.154	C	C	.	.	S	Bend	trans	-103.7	136.2	175.7	-168.3	54	-83.2	0	0	110.4	I186 I211 A217 G219 L222 E225	I186-Q188 WeakPolarHBondContact CG2-O 3.48Å; I186-Q188 PolarHBondContact O-N 3.17Å; Q188-I211 PolarHBondContact NE2-O 3.28Å; Q188-A217 HydrophobicContact CB-CB 4.07Å; Q188-G219 PolarHBondContact NE2-O 2.9Å; Q188-L222 WeakPolarHBondContact O-CD1 3.47Å; Q188-E225 HydrophobicContact CB-CG 3.76Å
189	Y	87.6	Confident	84.1	Confident	9 Å²	9	28.6 Å²	28.6	4%	0.035	15%	0.147	C	C	.	.			trans	-117	146.2	-179.5	-68.4	-95.1	0	0	0	109.5	Q179 E185 I186 G209 I210 I211 T452 P453 L456 N457	Q179-Y189 PolarHBondContact NE2-OH 3.45Å; E185-Y189 WeakPolarHBondContact CB-OH 3.31Å; I186-Y189 WeakPolarHBondContact O-CE2 3.5Å; I186-Y189 PolarHBondContact O-OH 3.27Å; Y189-G209 CarbonylContact O-C 3.54Å; Y189-G209 WeakPolarHBondContact O-CA 3.07Å; Y189-I210 PolarHBondContact O-N 3.05Å; Y189-I211 HydrophobicContact CD2-CG1 4.35Å; Y189-T452 HydrophobicContact CE2-CG2 4.25Å; Y189-P453 HydrophobicContact CE1-CB 3.88Å; Y189-P453 HydrophobicContact CE1-CG 4.3Å; Y189-P453 WeakPolarHBondContact OH-CG 3.48Å; Y189-L456 HydrophobicContact CD2-CB 4.37Å; Y189-L456 HydrophobicContact CD2-CD1 3.2Å; Y189-L456 HydrophobicContact CD2-CG 4.41Å; Y189-L456 HydrophobicContact CE2-CD1 3.24Å; Y189-L456 HydrophobicContact CG-CB 4.27Å; Y189-L456 HydrophobicContact CG-CD1 3.92Å; Y189-N457 WeakPolarHBondContact CD1-ND2 3.15Å
190	V	79.3	Confident	84.1	Confident	7 Å²	7	28.9 Å²	28.9	4%	0.042	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-97.9	123.3	175.6	-175.5	0	0	0	0	108.3	I172 T192 Q207 L222	I172-V190 HydrophobicContact CD1-CB 4.44Å; V190-T192 HydrophobicContact CG1-CG2 3.87Å; V190-T192 PolarHBondContact O-N 3.01Å; V190-Q207 HydrophobicContact CG1-CB 4.03Å; V190-Q207 HydrophobicContact CG1-CG 3.64Å; V190-L222 HydrophobicContact CG2-CB 3.49Å; V190-L222 VanDerWaalsContact CG2-CB 3.49Å; V190-L222 HydrophobicContact CG2-CD2 3.49Å; V190-L222 VanDerWaalsContact CG2-CD2 3.49Å; V190-L222 HydrophobicContact CG2-CG 4.05Å
191	D	70.3	Confident	84.1	Confident	12 Å²	12	29.1 Å²	29.1	6%	0.064	16%	0.156	C	C	.	.			trans	-65.9	120.5	168.5	171	50.9	0	0	0	110.2	Y193 Q207 I210 R511	D191-Y193 WeakPolarHBondContact OD2-CE2 3.44Å; D191-Q207 PolarHBondContact O-NE2 3.09Å; D191-I210 HydrophobicContact CB-CD1 3.85Å; D191-I210 HydrophobicContact CB-CG1 3.72Å; D191-R511 VanDerWaalsContact CG-CZ 3.48Å; D191-R511 IonicContact OD1-CZ 3.87Å; D191-R511 IonicContact OD1-NH1 3.78Å; D191-R511 PolarHBondContact OD1-NH1 3.3Å; D191-R511 IonicContact OD1-NH2 3.27Å; D191-R511 PolarHBondContact OD1-NH2 3.05Å; D191-R511 IonicContact OD2-CZ 3.92Å; D191-R511 IonicContact OD2-NH1 3.8Å; D191-R511 PolarHBondContact OD2-NH1 2.94Å; D191-R511 IonicContact OD2-NH2 2.98Å
192	T	65.3	Low	83.9	Confident	16 Å²	16	23.3 Å²	23.3	10%	0.098	13%	0.125	C	C	.	.			trans	-129.8	125.8	173.6	56.9	0	0	0	0	112.3	I172 V190 S194 D197	I172-T192 HydrophobicContact CD1-CG2 3.09Å; I172-T192 WeakPolarHBondContact CD1-OG1 3.38Å; V190-T192 HydrophobicContact CG1-CG2 3.87Å; V190-T192 PolarHBondContact O-N 3.01Å; T192-S194 VanDerWaalsContact CB-O 3.27Å; T192-S194 WeakPolarHBondContact CB-O 3.46Å; T192-S194 PolarHBondContact O-N 3.2Å; T192-S194 PolarHBondContact OG1-O 2.79Å; T192-D197 HydrophobicContact CG2-CB 3.85Å
193	Y	66	Low	83.8	Confident	21 Å²	21	19.4 Å²	19.4	8%	0.082	11%	0.107	C	C	.	.	S	Bend	trans	-65.6	-20.6	169.3	-60	-81.5	0	0	0	111.6	D191 F462 L466 I468 K470 R511 T546 M548	D191-Y193 WeakPolarHBondContact OD2-CE2 3.44Å; Y193-F462 HydrophobicContact CD1-CD2 4.01Å; Y193-F462 AromaticContact CD1-CE2 3.83Å; Y193-F462 HydrophobicContact CD1-CE2 3.83Å; Y193-F462 HydrophobicContact CE1-CE2 4.32Å; Y193-L466 HydrophobicContact CD1-CD2 4.24Å; Y193-L466 HydrophobicContact CG-CD2 4.28Å; Y193-I468 HydrophobicContact CD1-CD1 3.96Å; Y193-I468 HydrophobicContact CD2-CD1 3.39Å; Y193-I468 HydrophobicContact CE1-CD1 4.41Å; Y193-I468 HydrophobicContact CE2-CD1 3.93Å; Y193-I468 HydrophobicContact CG-CD1 3.43Å; Y193-I468 VanDerWaalsContact CG-CD1 3.43Å; Y193-K470 VanDerWaalsContact CE2-NZ 3.29Å; Y193-R511 PolarHBondContact OH-NH1 3.1Å; Y193-T546 HydrophobicContact CE2-CG2 4.08Å; Y193-T546 VanDerWaalsContact OH-CB 3.3Å; Y193-T546 WeakPolarHBondContact OH-CB 3.45Å; Y193-T546 WeakPolarHBondContact OH-CG2 3.32Å; Y193-T546 PolarHBondContact OH-OG1 3.36Å; Y193-M548 HydrophobicContact CD1-SD 3.95Å; Y193-M548 HydrophobicContact CE1-CG 4.35Å; Y193-M548 HydrophobicContact CE1-SD 3.31Å; Y193-M548 WeakPolarHBondContact CE1-SD 3.45Å
194	S	67.4	Low	83.7	Confident	29 Å²	29	16 Å²	16	20%	0.203	9%	0.089	C	C	.	.	S	Bend	trans	-123	114	168.8	-179.1	0	0	0	0	110.4	T192 Q196 D197	T192-S194 VanDerWaalsContact CB-O 3.27Å; T192-S194 WeakPolarHBondContact CB-O 3.46Å; T192-S194 PolarHBondContact O-N 3.2Å; T192-S194 PolarHBondContact OG1-O 2.79Å; S194-Q196 PolarHBondContact O-N 2.89Å; S194-Q196 PolarHBondContact OG-N 3.26Å; S194-D197 WeakPolarHBondContact O-CB 3.17Å; S194-D197 PolarHBondContact O-N 3.37Å
195	I	69.3	Low	83.4	Confident	33 Å²	33	16.2 Å²	16.2	17%	0.169	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.4	174.9	67.2	164.7	0	0	0	113.4	N173 D197 K461	N173-I195 HydrophobicContact CB-CB 4.13Å; N173-I195 HydrophobicContact CB-CD1 3.93Å; N173-I195 HydrophobicContact CB-CG1 4.26Å; N173-I195 PolarHBondContact N-O 3.02Å; N173-I195 VanDerWaalsContact N-O 3.16Å; I195-D197 VanDerWaalsContact C-N 3.32Å; I195-K461 HydrophobicContact CD1-CD 4.48Å
196	Q	74.8	Confident	83.1	Confident	108 Å²	108	16.2 Å²	16.2	51%	0.505	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.3	175.5	-62.7	-174	-14.9	0	0	112.1	H119 T171 S194 T198	H119-Q196 PolarHBondContact CD2-O 3.3Å; T171-Q196 WeakPolarHBondContact CG2-O 3.14Å; S194-Q196 PolarHBondContact O-N 2.89Å; S194-Q196 PolarHBondContact OG-N 3.26Å; Q196-T198 PolarHBondContact O-N 3.26Å
197	D	83.9	Confident	82.7	Confident	10 Å²	10	16.5 Å²	16.5	5%	0.053	9%	0.093	C	C	.	.			trans	-51.9	139.5	173.8	-87.2	27.5	0	0	0	111.5	S121 T171 I172 T192 S194 I195 K582	S121-D197 WeakPolarHBondContact CB-OD1 3.1Å; S121-D197 PolarHBondContact OG-OD1 2.94Å; S121-D197 PolarHBondContact OG-OD2 2.83Å; S121-D197 VanDerWaalsContact OG-OD2 3.08Å; T171-D197 CarbonylContact C-O 3.59Å; T171-D197 WeakPolarHBondContact CA-O 3.37Å; I172-D197 HydrophobicContact CD1-CB 3.79Å; I172-D197 WeakPolarHBondContact CG1-O 3.48Å; I172-D197 PolarHBondContact N-O 3.31Å; T192-D197 HydrophobicContact CG2-CB 3.85Å; S194-D197 WeakPolarHBondContact O-CB 3.17Å; S194-D197 PolarHBondContact O-N 3.37Å; I195-D197 VanDerWaalsContact C-N 3.32Å; D197-K582 IonicContact OD2-NZ 2.83Å; D197-K582 PolarHBondContact OD2-NZ 2.84Å
198	T	90.4	Very high	82.5	Confident	8 Å²	8	16.4 Å²	16.4	5%	0.049	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-83.1	143.6	175	66.1	0	0	0	0	110.9	S168 V170 Q196 V200 G201 S202	S168-T198 WeakPolarHBondContact O-CB 3.24Å; V170-T198 WeakPolarHBondContact O-CA 3.36Å; Q196-T198 PolarHBondContact O-N 3.26Å; T198-V200 VanDerWaalsContact C-N 3.26Å; T198-V200 PolarHBondContact O-N 2.81Å; T198-G201 PolarHBondContact O-N 2.86Å; T198-G201 VanDerWaalsContact O-N 3.07Å; T198-G201 PolarHBondContact OG1-N 3.06Å; T198-S202 PolarHBondContact O-N 2.91Å
199	I	92.6	Very high	82.4	Confident	6 Å²	6	16.3 Å²	16.3	3%	0.031	9%	0.092	C	C	.	.	H	α-helix	trans	-57.5	-42.4	178.6	-69	-69.4	0	0	0	111.5	L166 V170 I172 L175 G201 S202 I203 L222 V263 L265	L166-I199 HydrophobicContact CD1-CB 4.41Å; L166-I199 HydrophobicContact CD1-CG1 4.37Å; L166-I199 HydrophobicContact CD1-CG2 3.91Å; V170-I199 PolarHBondContact O-N 2.88Å; V170-I199 VanDerWaalsContact O-N 3.07Å; I172-I199 HydrophobicContact CB-CD1 4.41Å; I172-I199 HydrophobicContact CG1-CD1 3.53Å; I172-I199 HydrophobicContact CG1-CG1 4.2Å; L175-I199 HydrophobicContact CB-CD1 4.42Å; L175-I199 HydrophobicContact CB-CG1 4.33Å; L175-I199 HydrophobicContact CD2-CD1 3.37Å; L175-I199 HydrophobicContact CD2-CG1 3.8Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 2.81Å; I199-S202 PolarHBondContact O-N 3.41Å; I199-I203 HydrophobicContact CG2-CD1 3.73Å; I199-I203 WeakPolarHBondContact O-CG1 3.28Å; I199-I203 PolarHBondContact O-N 3.4Å; I199-L222 HydrophobicContact CD1-CD2 4.22Å; I199-L222 HydrophobicContact CG2-CD2 3.93Å; I199-V263 HydrophobicContact CG2-CG2 4.34Å; I199-L265 HydrophobicContact CG2-CD1 3.99Å
200	V	93	Very high	82.5	Confident	9 Å²	9	16 Å²	16	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-38.8	177.2	166.5	0	0	0	0	112.1	T198 S202 I203 L204 V260 V263	T198-V200 VanDerWaalsContact C-N 3.26Å; T198-V200 PolarHBondContact O-N 2.81Å; V200-S202 VanDerWaalsContact C-N 3.28Å; V200-S202 PolarHBondContact O-N 3.41Å; V200-I203 PolarHBondContact O-N 3.06Å; V200-L204 HydrophobicContact CG1-CD1 3.9Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 WeakPolarHBondContact O-CB 3.16Å; V200-L204 WeakPolarHBondContact O-CG 3.14Å; V200-L204 PolarHBondContact O-N 2.87Å; V200-V260 HydrophobicContact CB-CG1 4.48Å; V200-V260 HydrophobicContact CG1-CB 3.63Å; V200-V260 HydrophobicContact CG1-CG1 3.66Å; V200-V260 HydrophobicContact CG1-CG2 4.15Å; V200-V260 HydrophobicContact CG2-CG1 3.93Å; V200-V263 HydrophobicContact CG2-CB 4.5Å; V200-V263 HydrophobicContact CG2-CG1 3.88Å; V200-V263 HydrophobicContact CG2-CG2 3.86Å
201	G	88.8	Confident	83	Confident	25 Å²	25	15.6 Å²	15.6	26%	0.258	9%	0.089	S	C	.	.	H	α-helix	trans	-59.2	-42.5	176.6	0	0	0	0	0	111.9	T198 I199 S205	T198-G201 PolarHBondContact O-N 2.86Å; T198-G201 VanDerWaalsContact O-N 3.07Å; T198-G201 PolarHBondContact OG1-N 3.06Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 2.81Å; G201-S205 PolarHBondContact O-N 3.24Å; G201-S205 PolarHBondContact O-OG 3.17Å; G201-S205 VanDerWaalsContact O-OG 3.08Å
202	S	88.2	Confident	83.8	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-37.6	177.8	-57	0	0	0	0	113.2	T198 I199 V200 S205 T206 Q207 K582	T198-S202 PolarHBondContact O-N 2.91Å; I199-S202 PolarHBondContact O-N 3.41Å; V200-S202 VanDerWaalsContact C-N 3.28Å; V200-S202 PolarHBondContact O-N 3.41Å; S202-S205 PolarHBondContact O-OG 2.79Å; S202-T206 PolarHBondContact O-N 2.83Å; S202-Q207 WeakPolarHBondContact O-CB 3.16Å; S202-Q207 PolarHBondContact O-N 3.29Å; S202-Q207 PolarHBondContact OG-OE1 3.49Å; S202-K582 PolarHBondContact OG-NZ 2.85Å
203	I	91.4	Very high	84.7	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.9	-50.8	175.2	-71.5	166	0	0	0	110.3	I199 V200 S205 T206 L222 T223 V226 V251 V263 L265	I199-I203 HydrophobicContact CG2-CD1 3.73Å; I199-I203 WeakPolarHBondContact O-CG1 3.28Å; I199-I203 PolarHBondContact O-N 3.4Å; V200-I203 PolarHBondContact O-N 3.06Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.09Å; I203-T206 PolarHBondContact O-N 2.85Å; I203-L222 HydrophobicContact CD1-CD2 4.3Å; I203-L222 HydrophobicContact CG1-CD2 3.97Å; I203-L222 HydrophobicContact CG1-CG 4.15Å; I203-T223 HydrophobicContact CB-CG2 4.46Å; I203-T223 HydrophobicContact CG2-CG2 4.15Å; I203-T223 WeakPolarHBondContact O-CG2 3.44Å; I203-V226 HydrophobicContact CD1-CG2 3.92Å; I203-V226 HydrophobicContact CG1-CG2 4.26Å; I203-V226 HydrophobicContact CG2-CG2 4.19Å; I203-V251 CarbonylContact C-O 3.37Å; I203-V251 HydrophobicContact CG2-CB 3.99Å; I203-V251 WeakPolarHBondContact CG2-O 3.5Å; I203-V251 VanDerWaalsContact O-O 3.06Å; I203-V263 HydrophobicContact CD1-CB 4.16Å; I203-V263 HydrophobicContact CD1-CG1 4.02Å; I203-V263 HydrophobicContact CD1-CG2 3.83Å; I203-L265 HydrophobicContact CD1-CD2 4.09Å
204	L	89.7	Confident	85.5	Confident	23 Å²	23	19.1 Å²	19.1	12%	0.12	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-31.1	-175.8	-73.4	-178.9	0	0	0	113.8	V200 T206 V251 N253 L254 V260	V200-L204 HydrophobicContact CG1-CD1 3.9Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 WeakPolarHBondContact O-CB 3.16Å; V200-L204 WeakPolarHBondContact O-CG 3.14Å; V200-L204 PolarHBondContact O-N 2.87Å; L204-T206 VanDerWaalsContact C-N 3.33Å; L204-V251 WeakPolarHBondContact CA-O 3.5Å; L204-N253 VanDerWaalsContact CD2-ND2 3.29Å; L204-N253 WeakPolarHBondContact CD2-ND2 3.46Å; L204-L254 PolarHBondContact O-N 3.09Å; L204-L254 VanDerWaalsContact O-N 3.09Å; L204-V260 HydrophobicContact CD1-CG2 3.78Å; L204-V260 HydrophobicContact CD2-CG2 3.71Å; L204-V260 HydrophobicContact CG-CG2 4.06Å
205	S	85.5	Confident	86.3	Confident	14 Å²	14	18.8 Å²	18.8	10%	0.098	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6.4	177	69.1	0	0	0	0	113.9	G201 S202 I203 Q207 K582	G201-S205 PolarHBondContact O-N 3.24Å; G201-S205 PolarHBondContact O-OG 3.17Å; G201-S205 VanDerWaalsContact O-OG 3.08Å; S202-S205 PolarHBondContact O-OG 2.79Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.09Å; S205-Q207 PolarHBondContact O-N 2.94Å; S205-K582 WeakPolarHBondContact OG-CE 3.43Å
206	T	86.5	Confident	87	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	46.4	-175	-40.2	0	0	0	0	111.5	S202 I203 L204 P208 S252 N520 L524	S202-T206 PolarHBondContact O-N 2.83Å; I203-T206 PolarHBondContact O-N 2.85Å; L204-T206 VanDerWaalsContact C-N 3.33Å; T206-P208 WeakPolarHBondContact O-CD 3.44Å; T206-S252 WeakPolarHBondContact OG1-CB 3.28Å; T206-S252 PolarHBondContact OG1-OG 3.05Å; T206-N520 HydrophobicContact CG2-CB 4.11Å; T206-L524 HydrophobicContact CG2-CD1 4.02Å; T206-L524 HydrophobicContact CG2-CG 3.93Å; T206-L524 WeakPolarHBondContact O-CD2 3.49Å
207	Q	85.9	Confident	87.4	Confident	7 Å²	7	15.6 Å²	15.6	3%	0.033	11%	0.112	C	C	.	.			trans	-65.8	130.7	-177	-170.1	169.2	-13.5	0	0	109.8	V190 D191 S202 S205	V190-Q207 HydrophobicContact CG1-CB 4.03Å; V190-Q207 HydrophobicContact CG1-CG 3.64Å; D191-Q207 PolarHBondContact O-NE2 3.09Å; S202-Q207 WeakPolarHBondContact O-CB 3.16Å; S202-Q207 PolarHBondContact O-N 3.29Å; S202-Q207 PolarHBondContact OG-OE1 3.49Å; S205-Q207 PolarHBondContact O-N 2.94Å
208	P	86.9	Confident	87.3	Confident	6 Å²	6	20.3 Å²	20.3	4%	0.039	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-56.4	148.5	174.9	-28.8	38.1	0	0	0	113.1	T206 L524 H544	T206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-L524 HydrophobicContact CG-CD1 4.38Å; P208-H544 WeakPolarHBondContact CB-CE1 3.16Å; P208-H544 WeakPolarHBondContact CB-ND1 3.44Å; P208-H544 VanDerWaalsContact CG-ND1 3.34Å; P208-H544 WeakPolarHBondContact CG-ND1 3.32Å
209	G	88.6	Confident	87	Confident	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-85.2	-169.1	173.6	0	0	0	0	0	113.2	Y189 G220 T515	Y189-G209 CarbonylContact O-C 3.54Å; Y189-G209 WeakPolarHBondContact O-CA 3.07Å; G209-G220 PolarHBondContact N-O 3.36Å; G209-T515 VanDerWaalsContact O-CG2 3.24Å; G209-T515 WeakPolarHBondContact O-CG2 3.47Å
210	I	89.1	Confident	86.7	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-113.1	-24.7	179.1	-53.9	173.3	0	0	0	111.2	Y189 D191 G212 S302 L456	Y189-I210 PolarHBondContact O-N 3.05Å; D191-I210 HydrophobicContact CB-CD1 3.85Å; D191-I210 HydrophobicContact CB-CG1 3.72Å; I210-G212 PolarHBondContact O-N 3.28Å; I210-S302 VanDerWaalsContact O-CB 3.28Å; I210-S302 WeakPolarHBondContact O-CB 3.33Å; I210-L456 HydrophobicContact CG2-CD2 4.37Å
211	I	89.4	Confident	86.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.123	C	C	.	.			trans	-77.8	125.5	-177.3	-64.1	-51.5	0	0	0	110.7	N187 Q188 Y189 A217 Q301 L456	N187-I211 WeakPolarHBondContact O-CG1 3.36Å; Q188-I211 PolarHBondContact NE2-O 3.28Å; Y189-I211 HydrophobicContact CD2-CG1 4.35Å; I211-A217 HydrophobicContact CB-CB 4.04Å; I211-A217 HydrophobicContact CG2-CB 3.71Å; I211-Q301 CarbonylContact C-O 3.54Å; I211-Q301 WeakPolarHBondContact CA-O 3.33Å; I211-Q301 HydrophobicContact CD1-CB 4.41Å; I211-Q301 HydrophobicContact CD1-CG 4.03Å; I211-L456 HydrophobicContact CD1-CD1 3.57Å; I211-L456 HydrophobicContact CD1-CD2 3.7Å; I211-L456 HydrophobicContact CD1-CG 4.3Å; I211-L456 HydrophobicContact CG1-CD1 4.32Å
212	G	86.9	Confident	86.6	Confident	2 Å²	2	18.2 Å²	18.2	2%	0.021	11%	0.112	C	C	.	.			trans	-81.3	-179.7	178.9	0	0	0	0	0	114.3	I210 S214 G215 Q301 F514	I210-G212 PolarHBondContact O-N 3.28Å; G212-S214 VanDerWaalsContact C-N 3.25Å; G212-S214 PolarHBondContact O-N 3.3Å; G212-G215 PolarHBondContact O-N 3.08Å; G212-Q301 PolarHBondContact N-O 3.45Å; G212-F514 WeakPolarHBondContact CA-O 3.24Å
213	P	84.1	Confident	86.7	Confident	61 Å²	61	18.4 Å²	18.4	40%	0.396	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.3	-175.3	-22.7	32.1	0	0	0	114.5	G215 I297 C516 L541	P213-G215 VanDerWaalsContact C-N 3.28Å; P213-G215 PolarHBondContact O-N 3.13Å; P213-I297 HydrophobicContact CG-CG2 4.2Å; P213-C516 HydrophobicContact CB-CB 4.4Å; P213-C516 HydrophobicContact CG-CB 4.33Å; P213-L541 HydrophobicContact CG-CD1 3.76Å
214	S	84	Confident	86.6	Confident	59 Å²	59	19.4 Å²	19.4	41%	0.413	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.9	-178.8	-56.9	0	0	0	0	113.9	G212 I297 T298	G212-S214 VanDerWaalsContact C-N 3.25Å; G212-S214 PolarHBondContact O-N 3.3Å; S214-I297 PolarHBondContact OG-O 2.89Å; S214-T298 WeakPolarHBondContact CB-O 3.39Å; S214-T298 WeakPolarHBondContact OG-CA 3.4Å; S214-T298 PolarHBondContact OG-O 3.39Å
215	G	83.6	Confident	86.7	Confident	22 Å²	22	18.4 Å²	18.4	23%	0.227	11%	0.113	C	C	.	.	S	Bend	trans	-83.6	-177.9	170.6	0	0	0	0	0	113.1	G212 P213	G212-G215 PolarHBondContact O-N 3.08Å; P213-G215 VanDerWaalsContact C-N 3.28Å; P213-G215 PolarHBondContact O-N 3.13Å
216	S	82.9	Confident	87.1	Confident	55 Å²	55	18.2 Å²	18.2	39%	0.385	11%	0.111	S	C	.	.	S	Bend	trans	-98.7	10.7	-179.2	63.9	0	0	0	0	114.1	N187 R365	N187-S216 PolarHBondContact OD1-OG 3.07Å; S216-R365 PolarHBondContact OG-NH1 3.29Å; S216-R365 PolarHBondContact OG-NH2 3.43Å
217	A	83.4	Confident	87.4	Confident	20 Å²	20	18.8 Å²	18.8	17%	0.165	11%	0.114	C	C	.	.			trans	-71.4	148.6	179.4	0	0	0	0	0	111.6	N187 Q188 I211 G219	N187-A217 HydrophobicContact CB-CB 4.32Å; Q188-A217 HydrophobicContact CB-CB 4.07Å; I211-A217 HydrophobicContact CB-CB 4.04Å; I211-A217 HydrophobicContact CG2-CB 3.71Å; A217-G219 PolarHBondContact O-N 2.98Å
218	Y	82.2	Confident	87.8	Confident	109 Å²	109	18.5 Å²	18.5	43%	0.427	11%	0.113	S	C	.	.	S	Bend	trans	-72.2	-15.9	-179.3	-82.6	-85.1	0	0	0	114.4	E225 R266 K538	Y218-E225 PolarHBondContact N-OE1 2.96Å; Y218-R266 PolarHBondContact OH-NH1 3.36Å; Y218-K538 WeakPolarHBondContact O-CE 3.49Å; Y218-K538 PolarHBondContact O-NZ 3.12Å
219	G	84.9	Confident	88.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-178.7	-178.1	-179.4	0	0	0	0	0	111.3	Q188 A217 C221 D224 C516	Q188-G219 PolarHBondContact NE2-O 2.9Å; A217-G219 PolarHBondContact O-N 2.98Å; G219-C221 VanDerWaalsContact C-N 3.29Å; G219-C221 PolarHBondContact O-N 3.22Å; G219-D224 WeakPolarHBondContact CA-OD2 3.21Å; G219-C516 VanDerWaalsContact CA-SG 3.57Å
220	G	86.4	Confident	88.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-78.3	1.3	-174	0	0	0	0	0	116.6	G209 C516 G517	G209-G220 PolarHBondContact N-O 3.36Å; G220-C516 WeakPolarHBondContact CA-O 3.45Å; G220-C516 PolarHBondContact N-O 2.98Å; G220-C516 PolarHBondContact N-SG 3.46Å; G220-C516 VanDerWaalsContact N-SG 3.37Å; G220-G517 PolarHBondContact N-O 3.4Å
221	C	88.3	Confident	89	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-134.9	151.4	-177.3	-70.1	0	0	0	0	111.7	G219 T223 D224 T518	G219-C221 VanDerWaalsContact C-N 3.29Å; G219-C221 PolarHBondContact O-N 3.22Å; C221-T223 WeakPolarHBondContact CB-OG1 3.23Å; C221-T223 PolarHBondContact O-N 2.9Å; C221-T223 VanDerWaalsContact O-N 3.08Å; C221-D224 PolarHBondContact N-OD2 3.21Å; C221-D224 WeakPolarHBondContact O-CB 3.27Å; C221-D224 PolarHBondContact O-N 3.38Å; C221-T518 HydrophobicContact CB-CG2 4.23Å; C221-T518 WeakPolarHBondContact SG-CG2 3.36Å
222	L	90	Very high	89.4	Confident	4 Å²	4	21 Å²	21	2%	0.021	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.5	-25.6	176.8	-179	63.9	0	0	0	112.6	I186 Q188 V190 I199 I203 D224 E225 L265	I186-L222 HydrophobicContact CG2-CD1 3.92Å; Q188-L222 WeakPolarHBondContact O-CD1 3.47Å; V190-L222 HydrophobicContact CG2-CB 3.49Å; V190-L222 VanDerWaalsContact CG2-CB 3.49Å; V190-L222 HydrophobicContact CG2-CD2 3.49Å; V190-L222 VanDerWaalsContact CG2-CD2 3.49Å; V190-L222 HydrophobicContact CG2-CG 4.05Å; I199-L222 HydrophobicContact CD1-CD2 4.22Å; I199-L222 HydrophobicContact CG2-CD2 3.93Å; I203-L222 HydrophobicContact CD1-CD2 4.3Å; I203-L222 HydrophobicContact CG1-CD2 3.97Å; I203-L222 HydrophobicContact CG1-CG 4.15Å; L222-D224 PolarHBondContact O-N 3.34Å; L222-D224 VanDerWaalsContact O-N 3.16Å; L222-E225 HydrophobicContact CD1-CB 4.38Å; L222-E225 WeakPolarHBondContact O-CB 3.08Å; L222-E225 PolarHBondContact O-N 3.13Å; L222-L265 HydrophobicContact CD1-CD1 4.23Å
223	T	90.5	Very high	89.8	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.025	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.2	175.6	58	0	0	0	0	113.3	I203 C221 E225 V226 V251 N520	I203-T223 HydrophobicContact CB-CG2 4.46Å; I203-T223 HydrophobicContact CG2-CG2 4.15Å; I203-T223 WeakPolarHBondContact O-CG2 3.44Å; C221-T223 WeakPolarHBondContact CB-OG1 3.23Å; C221-T223 PolarHBondContact O-N 2.9Å; C221-T223 VanDerWaalsContact O-N 3.08Å; T223-E225 PolarHBondContact O-N 2.99Å; T223-V226 PolarHBondContact O-N 3.4Å; T223-V251 HydrophobicContact CG2-CB 4.43Å; T223-V251 HydrophobicContact CG2-CG2 4.24Å; T223-N520 WeakPolarHBondContact CB-ND2 3.48Å; T223-N520 PolarHBondContact OG1-ND2 3.39Å
224	D	89	Confident	90.3	Very high	20 Å²	20	18.7 Å²	18.7	11%	0.107	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-74	-14.4	179.9	-62.8	-49.6	0	0	0	112.7	G219 C221 L222 T518 N519	G219-D224 WeakPolarHBondContact CA-OD2 3.21Å; C221-D224 PolarHBondContact N-OD2 3.21Å; C221-D224 WeakPolarHBondContact O-CB 3.27Å; C221-D224 PolarHBondContact O-N 3.38Å; L222-D224 PolarHBondContact O-N 3.34Å; L222-D224 VanDerWaalsContact O-N 3.16Å; D224-T518 VanDerWaalsContact CG-OG1 3.3Å; D224-T518 PolarHBondContact OD1-OG1 3.1Å; D224-T518 WeakPolarHBondContact OD2-CA 3.44Å; D224-T518 WeakPolarHBondContact OD2-CB 3.39Å; D224-T518 PolarHBondContact OD2-OG1 3.29Å; D224-N519 WeakPolarHBondContact OD1-CB 3.45Å; D224-N519 PolarHBondContact OD1-N 3.13Å; D224-N519 PolarHBondContact OD1-ND2 2.96Å
225	E	92	Very high	90.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-92.3	-4.8	176.1	-58.2	-61	153.4	0	0	112.7	I186 Q188 Y218 L222 T223 L265 R266	I186-E225 HydrophobicContact CG2-CB 4.1Å; I186-E225 HydrophobicContact CG2-CG 4.03Å; Q188-E225 HydrophobicContact CB-CG 3.76Å; Y218-E225 PolarHBondContact N-OE1 2.96Å; L222-E225 HydrophobicContact CD1-CB 4.38Å; L222-E225 WeakPolarHBondContact O-CB 3.08Å; L222-E225 PolarHBondContact O-N 3.13Å; T223-E225 PolarHBondContact O-N 2.99Å; E225-L265 WeakPolarHBondContact O-CA 3.24Å; E225-R266 PolarHBondContact O-N 2.96Å
226	V	94.1	Very high	91.4	Very high	11 Å²	11	19.5 Å²	19.5	7%	0.067	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.2	-179.2	-176.9	0	0	0	0	110.6	I203 T223 A228 I247 V251 L265	I203-V226 HydrophobicContact CD1-CG2 3.92Å; I203-V226 HydrophobicContact CG1-CG2 4.26Å; I203-V226 HydrophobicContact CG2-CG2 4.19Å; T223-V226 PolarHBondContact O-N 3.4Å; V226-A228 WeakPolarHBondContact CG1-O 3.46Å; V226-I247 HydrophobicContact CB-CG2 4.42Å; V226-I247 HydrophobicContact CG1-CG2 4.23Å; V226-V251 HydrophobicContact CB-CG1 3.74Å; V226-V251 HydrophobicContact CG1-CG1 3.54Å; V226-V251 HydrophobicContact CG2-CG1 4Å; V226-L265 HydrophobicContact CB-CD2 4.2Å; V226-L265 HydrophobicContact CG2-CD2 3.53Å
227	I	93	Very high	92	Very high	11 Å²	11	20 Å²	20	6%	0.056	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-14.4	177.5	63.7	169.2	0	0	0	113.6	I152 I161 I247 T264 R266	I152-I227 HydrophobicContact CB-CD1 4.46Å; I152-I227 HydrophobicContact CG1-CD1 4.17Å; I161-I227 HydrophobicContact CB-CD1 4.26Å; I161-I227 HydrophobicContact CG2-CD1 3.74Å; I161-I227 HydrophobicContact CG2-CG2 4.45Å; I227-I247 WeakPolarHBondContact O-CD1 3.31Å; I227-T264 HydrophobicContact CD1-CG2 3.77Å; I227-T264 HydrophobicContact CG1-CG2 3.68Å; I227-T264 WeakPolarHBondContact CG1-O 3.18Å; I227-T264 PolarHBondContact N-O 3.36Å; I227-R266 HydrophobicContact CG2-CB 4.27Å
228	A	94.7	Very high	92.6	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	152.7	169.4	0	0	0	0	0	110.3	I152 V226 Y241 T264	I152-A228 HydrophobicContact CD1-CB 3.91Å; I152-A228 HydrophobicContact CG1-CB 4.28Å; I152-A228 HydrophobicContact CG2-CB 4.41Å; V226-A228 WeakPolarHBondContact CG1-O 3.46Å; A228-Y241 VanDerWaalsContact CA-O 3.31Å; A228-Y241 WeakPolarHBondContact CA-O 3.46Å; A228-T264 PolarHBondContact N-O 3.11Å; A228-T264 PolarHBondContact O-N 3.36Å
229	I	95.9	Very high	93.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.1	173.3	-176.3	166.9	0	0	0	109.9	I231 Y241 A250 V251 V260 V263	I229-I231 HydrophobicContact CD1-CD1 4.13Å; I229-I231 HydrophobicContact CD1-CG1 4.3Å; I229-I231 HydrophobicContact CG1-CD1 4.25Å; I229-I231 HydrophobicContact CG1-CG1 3.95Å; I229-Y241 HydrophobicContact CG2-CD2 4.13Å; I229-Y241 HydrophobicContact CG2-CG 4.44Å; I229-Y241 PolarHBondContact N-O 2.87Å; I229-Y241 PolarHBondContact O-N 3.23Å; I229-A250 HydrophobicContact CG2-CB 3.85Å; I229-V251 HydrophobicContact CG2-CG1 4.32Å; I229-V260 HydrophobicContact CD1-CG1 4.02Å; I229-V260 HydrophobicContact CD1-CG2 3.89Å; I229-V260 HydrophobicContact CG1-CG1 3.98Å; I229-V260 HydrophobicContact CG1-CG2 4.46Å; I229-V263 HydrophobicContact CB-CG1 4.33Å; I229-V263 HydrophobicContact CD1-CG1 3.88Å; I229-V263 HydrophobicContact CG1-CG1 3.83Å
230	R	96.2	Very high	93.7	Very high	57 Å²	57	22.3 Å²	22.3	22%	0.215	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.3	176.5	-60.8	-165.9	-66.3	170.7	0.9	111	L238 I239 E240 Y261 D262	R230-L238 HydrophobicContact CB-CD1 3.87Å; R230-L238 HydrophobicContact CB-CG 4.25Å; R230-I239 CarbonylContact C-O 3.52Å; R230-I239 VanDerWaalsContact CA-O 3.26Å; R230-I239 WeakPolarHBondContact CA-O 3.31Å; R230-E240 HydrophobicContact CG-CB 3.9Å; R230-E240 HydrophobicContact CG-CG 3.88Å; R230-Y261 PolarHBondContact O-N 3.28Å; R230-D262 IonicContact CZ-OD1 2.7Å; R230-D262 IonicContact CZ-OD2 3.41Å; R230-D262 PolarHBondContact N-O 2.9Å; R230-D262 IonicContact NE-OD1 2.63Å; R230-D262 PolarHBondContact NE-OD1 3.24Å; R230-D262 IonicContact NE-OD2 3.22Å; R230-D262 PolarHBondContact NE-OD2 2.94Å; R230-D262 IonicContact NH2-OD1 3.01Å; R230-D262 IonicContact NH2-OD2 3.59Å; R230-D262 PolarHBondContact NH2-OD2 2.89Å
231	I	97.2	Very high	94	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.4	-172.7	-49.2	-172.9	0	0	0	109.6	I229 I239 Y241 L257 V260	I229-I231 HydrophobicContact CD1-CD1 4.13Å; I229-I231 HydrophobicContact CD1-CG1 4.3Å; I229-I231 HydrophobicContact CG1-CD1 4.25Å; I229-I231 HydrophobicContact CG1-CG1 3.95Å; I231-I239 PolarHBondContact N-O 3.46Å; I231-I239 PolarHBondContact O-N 3.5Å; I231-Y241 HydrophobicContact CB-CE2 4.25Å; I231-Y241 HydrophobicContact CD1-CD2 4.19Å; I231-Y241 HydrophobicContact CD1-CE2 3.92Å; I231-Y241 HydrophobicContact CG1-CD2 4.25Å; I231-Y241 HydrophobicContact CG1-CE2 4.07Å; I231-L257 HydrophobicContact CD1-CB 3.98Å; I231-L257 HydrophobicContact CD1-CD1 4.1Å; I231-L257 HydrophobicContact CG2-CB 4.32Å; I231-V260 HydrophobicContact CD1-CG2 4.28Å; I231-V260 HydrophobicContact CG1-CG2 4.14Å
232	V	97.2	Very high	94.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.1	170.2	-167	0	0	0	0	108.8	Y97 I100 I104 D237 L238 G258 V259	Y97-V232 HydrophobicContact CD2-CG2 3.73Å; Y97-V232 HydrophobicContact CE2-CG1 4.14Å; Y97-V232 HydrophobicContact CE2-CG2 3.77Å; I100-V232 HydrophobicContact CG2-CB 4.03Å; I100-V232 HydrophobicContact CG2-CG1 4.17Å; I100-V232 HydrophobicContact CG2-CG2 3.94Å; I104-V232 HydrophobicContact CD1-CB 3.92Å; I104-V232 HydrophobicContact CD1-CG1 3.55Å; V232-D237 WeakPolarHBondContact CA-O 3.18Å; V232-L238 HydrophobicContact CG2-CD1 3.87Å; V232-G258 WeakPolarHBondContact O-CA 3.27Å; V232-V259 HydrophobicContact CB-CB 4.46Å; V232-V259 PolarHBondContact N-O 3.23Å; V232-V259 PolarHBondContact O-N 3.17Å
233	N	95.6	Very high	93.9	Very high	15 Å²	15	25 Å²	25	8%	0.08	12%	0.12	C	C	.	.			trans	-79.8	-173	-174.8	72.2	8.7	0	0	0	112.9	I104 Y235 G236 D237 I239	I104-N233 WeakPolarHBondContact CG2-O 3.45Å; N233-Y235 PolarHBondContact O-N 3.32Å; N233-Y235 VanDerWaalsContact O-N 3.15Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.3Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.14Å; N233-Y235 PolarHBondContact OD1-N 3.48Å; N233-G236 PolarHBondContact O-N 2.86Å; N233-G236 PolarHBondContact OD1-N 2.81Å; N233-D237 PolarHBondContact N-O 2.88Å; N233-D237 PolarHBondContact OD1-N 2.93Å; N233-D237 PolarHBondContact OD1-O 3.36Å; N233-I239 HydrophobicContact CB-CG1 4.36Å
234	C	94.6	Very high	93.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.6	-178.3	72.1	0	0	0	0	114.9	R108 G236 A613 D614 M618 F619	R108-C234 WeakPolarHBondContact CD-O 3.16Å; R108-C234 PolarHBondContact NH1-O 3.45Å; R108-C234 PolarHBondContact NH1-SG 2.88Å; C234-G236 VanDerWaalsContact C-N 3.34Å; C234-A613 PolarHBondContact N-O 3.16Å; C234-A613 PolarHBondContact SG-O 3.2Å; C234-D614 HydrophobicContact CB-CB 4.4Å; C234-M618 HydrophobicContact CB-CE 3.64Å; C234-M618 HydrophobicContact CB-SD 4.42Å; C234-F619 HydrophobicContact CB-CE2 3.89Å
235	Y	95.1	Very high	93.2	Very high	97 Å²	97	39.9 Å²	39.9	38%	0.38	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.7	174.2	-58.1	-85.4	0	0	0	111.9	R105 R108 N233 D237	R105-Y235 WeakPolarHBondContact CG-O 3.42Å; R105-Y235 PolarHBondContact NE-O 3.05Å; R108-Y235 VanDerWaalsContact NH1-CG 3.34Å; R108-Y235 VanDerWaalsContact NH2-CE1 3.32Å; N233-Y235 PolarHBondContact O-N 3.32Å; N233-Y235 VanDerWaalsContact O-N 3.15Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.3Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.14Å; N233-Y235 PolarHBondContact OD1-N 3.48Å; Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 WeakPolarHBondContact CB-OD2 3.41Å
236	G	95.4	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	77.4	18.3	-172.5	0	0	0	0	0	112.8	Y97 S101 N233 C234	Y97-G236 PolarHBondContact OH-O 2.95Å; S101-G236 VanDerWaalsContact CB-O 3.29Å; S101-G236 WeakPolarHBondContact CB-O 3.39Å; S101-G236 PolarHBondContact OG-O 2.77Å; N233-G236 PolarHBondContact O-N 2.86Å; N233-G236 PolarHBondContact OD1-N 2.81Å; C234-G236 VanDerWaalsContact C-N 3.34Å
237	D	96.4	Very high	92.6	Very high	65 Å²	65	43.4 Å²	43.4	35%	0.348	20%	0.202	S	C	.	.			trans	-98.3	139.1	-179	-58.4	-30.3	0	0	0	110.5	R105 V232 N233 Y235 I239	R105-D237 IonicContact NH2-OD1 3.74Å; R105-D237 PolarHBondContact NH2-OD1 3.38Å; V232-D237 WeakPolarHBondContact CA-O 3.18Å; N233-D237 PolarHBondContact N-O 2.88Å; N233-D237 PolarHBondContact OD1-N 2.93Å; N233-D237 PolarHBondContact OD1-O 3.36Å; Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 WeakPolarHBondContact CB-OD2 3.41Å; D237-I239 HydrophobicContact CB-CD1 4.35Å; D237-I239 PolarHBondContact O-N 3.31Å
238	L	96.6	Very high	92.1	Very high	49 Å²	49	46 Å²	46	26%	0.257	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112	177.7	-170.6	66.7	0	0	0	110.7	Y97 R230 V232 Y261	Y97-L238 HydrophobicContact CD2-CB 4.4Å; Y97-L238 HydrophobicContact CD2-CD1 4.39Å; Y97-L238 HydrophobicContact CE2-CB 3.68Å; Y97-L238 HydrophobicContact CE2-CD1 4.36Å; Y97-L238 HydrophobicContact CE2-CG 4.45Å; Y97-L238 PolarHBondContact OH-N 3.22Å; R230-L238 HydrophobicContact CB-CD1 3.87Å; R230-L238 HydrophobicContact CB-CG 4.25Å; V232-L238 HydrophobicContact CG2-CD1 3.87Å; L238-Y261 HydrophobicContact CD1-CD1 3.97Å; L238-Y261 HydrophobicContact CD1-CG 4.14Å; L238-Y261 HydrophobicContact CD2-CD1 4.03Å; L238-Y261 HydrophobicContact CD2-CE1 4.48Å
239	I	95.3	Very high	91.6	Very high	60 Å²	60	46.2 Å²	46.2	31%	0.308	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.8	-179.8	-52	-57.2	0	0	0	109.6	R230 I231 N233 D237 Y241	R230-I239 CarbonylContact C-O 3.52Å; R230-I239 VanDerWaalsContact CA-O 3.26Å; R230-I239 WeakPolarHBondContact CA-O 3.31Å; I231-I239 PolarHBondContact N-O 3.46Å; I231-I239 PolarHBondContact O-N 3.5Å; N233-I239 HydrophobicContact CB-CG1 4.36Å; D237-I239 HydrophobicContact CB-CD1 4.35Å; D237-I239 PolarHBondContact O-N 3.31Å; I239-Y241 HydrophobicContact CB-CE2 4.32Å; I239-Y241 HydrophobicContact CG2-CE1 4.15Å; I239-Y241 HydrophobicContact CG2-CE2 4Å
240	E	94	Very high	91.3	Very high	70 Å²	70	46.2 Å²	46.2	33%	0.327	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.3	174.8	-175.8	-167.3	115.2	0	0	111.4	K155 R230 S242	K155-E240 PolarHBondContact NZ-O 3.07Å; R230-E240 HydrophobicContact CG-CB 3.9Å; R230-E240 HydrophobicContact CG-CG 3.88Å; E240-S242 WeakPolarHBondContact OE1-CB 3.39Å; E240-S242 PolarHBondContact OE1-OG 3.07Å
241	Y	92.8	Very high	91	Very high	17 Å²	17	43.5 Å²	43.5	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.9	168.9	-54.7	-81.3	0	0	0	108.9	A228 I229 I231 I239 E246 A250 L609	A228-Y241 VanDerWaalsContact CA-O 3.31Å; A228-Y241 WeakPolarHBondContact CA-O 3.46Å; I229-Y241 HydrophobicContact CG2-CD2 4.13Å; I229-Y241 HydrophobicContact CG2-CG 4.44Å; I229-Y241 PolarHBondContact N-O 2.87Å; I229-Y241 PolarHBondContact O-N 3.23Å; I231-Y241 HydrophobicContact CB-CE2 4.25Å; I231-Y241 HydrophobicContact CD1-CD2 4.19Å; I231-Y241 HydrophobicContact CD1-CE2 3.92Å; I231-Y241 HydrophobicContact CG1-CD2 4.25Å; I231-Y241 HydrophobicContact CG1-CE2 4.07Å; I239-Y241 HydrophobicContact CB-CE2 4.32Å; I239-Y241 HydrophobicContact CG2-CE1 4.15Å; I239-Y241 HydrophobicContact CG2-CE2 4Å; Y241-E246 HydrophobicContact CD1-CB 3.94Å; Y241-E246 HydrophobicContact CD1-CG 4.48Å; Y241-A250 HydrophobicContact CD1-CB 4.43Å; Y241-A250 HydrophobicContact CD2-CB 3.92Å; Y241-A250 HydrophobicContact CE2-CB 4.42Å; Y241-A250 HydrophobicContact CG-CB 3.91Å; Y241-L609 HydrophobicContact CD1-CD2 4.33Å; Y241-L609 HydrophobicContact CE1-CD2 3.5Å
242	S	90.2	Very high	90.5	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.035	21%	0.205	C	C	.	.			trans	-131.7	2.5	-178.8	44.7	0	0	0	0	113.1	K155 E240	K155-S242 WeakPolarHBondContact CE-OG 3.5Å; E240-S242 WeakPolarHBondContact OE1-CB 3.39Å; E240-S242 PolarHBondContact OE1-OG 3.07Å
243	N	86.3	Confident	90	Very high	39 Å²	39	43.5 Å²	43.5	21%	0.209	21%	0.205	C	C	.	.	S	Bend	trans	-88.2	133.5	170.3	177.3	-27.5	0	0	0	109.6	K245 E246 I247	N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 3.23Å; N243-K245 VanDerWaalsContact O-N 3.17Å; N243-K245 PolarHBondContact OD1-N 3.46Å; N243-K245 VanDerWaalsContact OD1-N 3.09Å; N243-E246 HydrophobicContact CB-CB 4.16Å; N243-E246 HydrophobicContact CB-CG 4.02Å; N243-E246 WeakPolarHBondContact O-CB 3.44Å; N243-E246 PolarHBondContact O-N 2.86Å; N243-I247 VanDerWaalsContact O-CG1 3.26Å; N243-I247 WeakPolarHBondContact O-CG1 3.48Å; N243-I247 PolarHBondContact O-N 2.83Å
244	E	83.2	Confident	89.7	Confident	155 Å²	155	43.6 Å²	43.6	72%	0.724	21%	0.206	S	C	*	.	H	α-helix	trans	-47.5	-45.3	-178.9	-171.1	175.7	-172.4	0	0	114	I247 M248	E244-I247 PolarHBondContact O-N 2.81Å; E244-M248 WeakPolarHBondContact O-CB 3.43Å; E244-M248 WeakPolarHBondContact O-CG 3.04Å; E244-M248 PolarHBondContact O-N 2.64Å
245	K	81.6	Confident	89.5	Confident	180 Å²	180	44 Å²	44	78%	0.783	21%	0.21	S	C	*	.	H	α-helix	trans	-68.5	-37	178.9	-71.6	-173.2	178	-178	0	113	N243	N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 3.23Å; N243-K245 VanDerWaalsContact O-N 3.17Å; N243-K245 PolarHBondContact OD1-N 3.46Å; N243-K245 VanDerWaalsContact OD1-N 3.09Å
246	E	83.5	Confident	89.3	Confident	73 Å²	73	39.4 Å²	39.4	34%	0.341	19%	0.193	S	C	.	.	H	α-helix	trans	-71.8	-43.1	177.7	-67.9	174.2	177.1	0	0	110.7	Y241 N243 M248 A249 A250	Y241-E246 HydrophobicContact CD1-CB 3.94Å; Y241-E246 HydrophobicContact CD1-CG 4.48Å; N243-E246 HydrophobicContact CB-CB 4.16Å; N243-E246 HydrophobicContact CB-CG 4.02Å; N243-E246 WeakPolarHBondContact O-CB 3.44Å; N243-E246 PolarHBondContact O-N 2.86Å; E246-M248 VanDerWaalsContact C-N 3.34Å; E246-M248 PolarHBondContact O-N 3.16Å; E246-A249 PolarHBondContact O-N 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3Å; E246-A250 PolarHBondContact O-N 3.17Å
247	I	88.9	Confident	89.3	Confident	15 Å²	15	39.4 Å²	39.4	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-50.5	176.9	-68.1	163.1	0	0	0	109.6	V226 I227 N243 E244 A249 A250 V251	V226-I247 HydrophobicContact CB-CG2 4.42Å; V226-I247 HydrophobicContact CG1-CG2 4.23Å; I227-I247 WeakPolarHBondContact O-CD1 3.31Å; N243-I247 VanDerWaalsContact O-CG1 3.26Å; N243-I247 WeakPolarHBondContact O-CG1 3.48Å; N243-I247 PolarHBondContact O-N 2.83Å; E244-I247 PolarHBondContact O-N 2.81Å; I247-A249 VanDerWaalsContact C-N 3.28Å; I247-A249 PolarHBondContact O-N 3.04Å; I247-A250 CarbonylContact O-C 3.31Å; I247-A250 PolarHBondContact O-N 3.26Å; I247-V251 HydrophobicContact CG2-CG1 3.59Å; I247-V251 WeakPolarHBondContact O-CG1 3.49Å; I247-V251 VanDerWaalsContact O-CG2 3.3Å; I247-V251 WeakPolarHBondContact O-CG2 3.29Å; I247-V251 PolarHBondContact O-N 3.48Å
248	M	83.4	Confident	89.2	Confident	66 Å²	66	36.4 Å²	36.4	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-47.9	-49.2	178.4	-78.6	-87	-66.6	0	0	112.7	E244 E246 N519 N520	E244-M248 WeakPolarHBondContact O-CB 3.43Å; E244-M248 WeakPolarHBondContact O-CG 3.04Å; E244-M248 PolarHBondContact O-N 2.64Å; E246-M248 VanDerWaalsContact C-N 3.34Å; E246-M248 PolarHBondContact O-N 3.16Å; M248-N519 HydrophobicContact CE-CB 3.66Å; M248-N519 HydrophobicContact SD-CB 3.28Å; M248-N519 WeakPolarHBondContact SD-CB 3.27Å; M248-N520 PolarHBondContact O-OD1 3.11Å
249	A	83.4	Confident	89.2	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-79.6	-25.1	178.8	0	0	0	0	0	113.2	E246 I247 P605 L606 L609	E246-A249 PolarHBondContact O-N 3.3Å; I247-A249 VanDerWaalsContact C-N 3.28Å; I247-A249 PolarHBondContact O-N 3.04Å; A249-P605 HydrophobicContact CB-CB 4.34Å; A249-L606 WeakPolarHBondContact O-CD1 3.38Å; A249-L609 HydrophobicContact CB-CD1 3.22Å
250	A	90.3	Very high	89.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-85.3	-25.8	-177.7	0	0	0	0	0	114.5	I229 Y241 E246 I247 N253 L257	I229-A250 HydrophobicContact CG2-CB 3.85Å; Y241-A250 HydrophobicContact CD1-CB 4.43Å; Y241-A250 HydrophobicContact CD2-CB 3.92Å; Y241-A250 HydrophobicContact CE2-CB 4.42Å; Y241-A250 HydrophobicContact CG-CB 3.91Å; E246-A250 WeakPolarHBondContact O-CB 3Å; E246-A250 PolarHBondContact O-N 3.17Å; I247-A250 CarbonylContact O-C 3.31Å; I247-A250 PolarHBondContact O-N 3.26Å; A250-N253 PolarHBondContact O-ND2 2.81Å; A250-L257 HydrophobicContact CB-CD1 3.94Å
251	V	90.5	Very high	89.4	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-78.3	-35.4	-174.6	-67.6	0	0	0	0	112.9	I203 L204 T223 V226 I229 I247 N520	I203-V251 CarbonylContact C-O 3.37Å; I203-V251 HydrophobicContact CG2-CB 3.99Å; I203-V251 WeakPolarHBondContact CG2-O 3.5Å; I203-V251 VanDerWaalsContact O-O 3.06Å; L204-V251 WeakPolarHBondContact CA-O 3.5Å; T223-V251 HydrophobicContact CG2-CB 4.43Å; T223-V251 HydrophobicContact CG2-CG2 4.24Å; V226-V251 HydrophobicContact CB-CG1 3.74Å; V226-V251 HydrophobicContact CG1-CG1 3.54Å; V226-V251 HydrophobicContact CG2-CG1 4Å; I229-V251 HydrophobicContact CG2-CG1 4.32Å; I247-V251 HydrophobicContact CG2-CG1 3.59Å; I247-V251 WeakPolarHBondContact O-CG1 3.49Å; I247-V251 VanDerWaalsContact O-CG2 3.3Å; I247-V251 WeakPolarHBondContact O-CG2 3.29Å; I247-V251 PolarHBondContact O-N 3.48Å; V251-N520 WeakPolarHBondContact CG2-ND2 3.17Å
252	S	86.2	Confident	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-104.8	76.6	177.1	-65.6	0	0	0	0	108.4	T206 N520 L523	T206-S252 WeakPolarHBondContact OG1-CB 3.28Å; T206-S252 PolarHBondContact OG1-OG 3.05Å; S252-N520 VanDerWaalsContact OG-CB 3.26Å; S252-N520 WeakPolarHBondContact OG-CB 3.37Å; S252-L523 WeakPolarHBondContact O-CD1 2.97Å
253	N	87.4	Confident	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.			trans	-120.7	-0.3	-174.1	79.5	59.6	0	0	0	114.6	L204 A250 G255 L256 L257 L606	L204-N253 VanDerWaalsContact CD2-ND2 3.29Å; L204-N253 WeakPolarHBondContact CD2-ND2 3.46Å; A250-N253 PolarHBondContact O-ND2 2.81Å; N253-G255 PolarHBondContact O-N 2.87Å; N253-G255 VanDerWaalsContact OD1-C 3.31Å; N253-G255 WeakPolarHBondContact OD1-CA 3.26Å; N253-G255 PolarHBondContact OD1-N 3.25Å; N253-L256 WeakPolarHBondContact O-CB 3.46Å; N253-L256 WeakPolarHBondContact O-CG 3.45Å; N253-L256 PolarHBondContact O-N 2.77Å; N253-L256 PolarHBondContact OD1-N 3.08Å; N253-L257 HydrophobicContact CB-CD1 3.97Å; N253-L257 HydrophobicContact CB-CG 3.86Å; N253-L606 HydrophobicContact CB-CD1 3.74Å
254	L	88.4	Confident	90.4	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.089	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	24.6	-179.3	-54.2	171.6	0	0	0	114.5	R115 L204 L256 W581 L624 F628	R115-L254 PolarHBondContact NH1-O 2.69Å; R115-L254 PolarHBondContact NH2-O 3.33Å; L204-L254 PolarHBondContact O-N 3.09Å; L204-L254 VanDerWaalsContact O-N 3.09Å; L254-L256 HydrophobicContact CB-CG 4.48Å; L254-W581 HydrophobicContact CD1-CD2 3.97Å; L254-W581 HydrophobicContact CD1-CE3 4.08Å; L254-W581 HydrophobicContact CD1-CH2 3.78Å; L254-W581 HydrophobicContact CD1-CZ2 3.64Å; L254-W581 HydrophobicContact CD1-CZ3 4Å; L254-W581 HydrophobicContact CD2-CB 4.24Å; L254-W581 HydrophobicContact CD2-CD2 3.7Å; L254-W581 HydrophobicContact CD2-CE3 4.27Å; L254-W581 HydrophobicContact CD2-CG 3.65Å; L254-L624 HydrophobicContact CB-CD1 4.49Å; L254-L624 HydrophobicContact CD1-CD2 3.9Å; L254-F628 HydrophobicContact CD1-CE2 3.94Å; L254-F628 HydrophobicContact CD1-CZ 3.89Å
255	G	90.6	Very high	91	Very high	10 Å²	10	19.1 Å²	19.1	10%	0.103	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	14.6	-174.6	0	0	0	0	0	114.8	N253 F619	N253-G255 PolarHBondContact O-N 2.87Å; N253-G255 VanDerWaalsContact OD1-C 3.31Å; N253-G255 WeakPolarHBondContact OD1-CA 3.26Å; N253-G255 PolarHBondContact OD1-N 3.25Å; G255-F619 WeakPolarHBondContact O-CB 3.47Å
256	L	91.6	Very high	91.6	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.068	C	C	.	.			trans	-78.7	-20.6	-175.8	-65.8	171.6	0	0	0	114	N253 L254 I610 L620 L624 F628	N253-L256 WeakPolarHBondContact O-CB 3.46Å; N253-L256 WeakPolarHBondContact O-CG 3.45Å; N253-L256 PolarHBondContact O-N 2.77Å; N253-L256 PolarHBondContact OD1-N 3.08Å; L254-L256 HydrophobicContact CB-CG 4.48Å; L256-I610 HydrophobicContact CB-CD1 3.75Å; L256-I610 HydrophobicContact CB-CG1 3.96Å; L256-I610 HydrophobicContact CD1-CD1 3.69Å; L256-I610 HydrophobicContact CG-CD1 4.3Å; L256-L620 HydrophobicContact CD2-CB 4.37Å; L256-L620 HydrophobicContact CD2-CD1 3.53Å; L256-L624 HydrophobicContact CD2-CB 4.29Å; L256-L624 HydrophobicContact CD2-CD1 3.72Å; L256-L624 HydrophobicContact CG-CD1 4.28Å; L256-F628 HydrophobicContact CD1-CD2 3.91Å; L256-F628 HydrophobicContact CD1-CE2 3.59Å; L256-F628 HydrophobicContact CD1-CZ 4.17Å
257	L	93.8	Very high	92.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-87	-14.8	177	-58.9	-178.5	0	0	0	112.9	I231 A250 N253 L606 L609 I610 A613	I231-L257 HydrophobicContact CD1-CB 3.98Å; I231-L257 HydrophobicContact CD1-CD1 4.1Å; I231-L257 HydrophobicContact CG2-CB 4.32Å; A250-L257 HydrophobicContact CB-CD1 3.94Å; N253-L257 HydrophobicContact CB-CD1 3.97Å; N253-L257 HydrophobicContact CB-CG 3.86Å; L257-L606 HydrophobicContact CD2-CD1 4.34Å; L257-L606 HydrophobicContact CG-CD1 4.44Å; L257-L609 HydrophobicContact CD2-CB 3.91Å; L257-I610 HydrophobicContact CD2-CB 4.37Å; L257-I610 HydrophobicContact CD2-CG1 3.7Å; L257-A613 HydrophobicContact CB-CB 4.34Å; L257-A613 HydrophobicContact CD2-CB 3.98Å
258	G	94.9	Very high	92.2	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.021	7%	0.068	C	C	.	.			trans	134.3	-158.3	-178.9	0	0	0	0	0	113.5	V232 F619	V232-G258 WeakPolarHBondContact O-CA 3.27Å; G258-F619 VanDerWaalsContact CA-CE2 3.41Å; G258-F619 VanDerWaalsContact CA-CZ 3.41Å
259	V	95.9	Very high	92.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.4	-177.8	-176.1	0	0	0	0	109.3	I100 I104 A116 I136 V232 Y261 F619	I100-V259 HydrophobicContact CD1-CG1 4.23Å; I100-V259 HydrophobicContact CG2-CB 3.93Å; I100-V259 HydrophobicContact CG2-CG1 3.97Å; I100-V259 HydrophobicContact CG2-CG2 4.16Å; I104-V259 HydrophobicContact CD1-CB 4.42Å; I104-V259 HydrophobicContact CD1-CG2 3.88Å; A116-V259 HydrophobicContact CB-CB 4.49Å; A116-V259 HydrophobicContact CB-CG1 4.04Å; A116-V259 HydrophobicContact CB-CG2 4.19Å; I136-V259 HydrophobicContact CD1-CG2 3.91Å; I136-V259 HydrophobicContact CG2-CG1 4.48Å; V232-V259 HydrophobicContact CB-CB 4.46Å; V232-V259 PolarHBondContact N-O 3.23Å; V232-V259 PolarHBondContact O-N 3.17Å; V259-Y261 PolarHBondContact O-N 2.93Å; V259-F619 HydrophobicContact CG2-CE1 4.42Å
260	V	96.5	Very high	92.9	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.7	173.7	179.1	0	0	0	0	109.1	S168 V200 L204 I229 I231 V263	S168-V260 WeakPolarHBondContact CB-O 3.49Å; S168-V260 PolarHBondContact OG-O 3.44Å; S168-V260 VanDerWaalsContact OG-O 3.06Å; V200-V260 HydrophobicContact CB-CG1 4.48Å; V200-V260 HydrophobicContact CG1-CB 3.63Å; V200-V260 HydrophobicContact CG1-CG1 3.66Å; V200-V260 HydrophobicContact CG1-CG2 4.15Å; V200-V260 HydrophobicContact CG2-CG1 3.93Å; L204-V260 HydrophobicContact CD1-CG2 3.78Å; L204-V260 HydrophobicContact CD2-CG2 3.71Å; L204-V260 HydrophobicContact CG-CG2 4.06Å; I229-V260 HydrophobicContact CD1-CG1 4.02Å; I229-V260 HydrophobicContact CD1-CG2 3.89Å; I229-V260 HydrophobicContact CG1-CG1 3.98Å; I229-V260 HydrophobicContact CG1-CG2 4.46Å; I231-V260 HydrophobicContact CD1-CG2 4.28Å; I231-V260 HydrophobicContact CG1-CG2 4.14Å; V260-V263 HydrophobicContact CG1-CG1 3.98Å
261	Y	97.4	Very high	92.9	Very high	24 Å²	24	16.1 Å²	16.1	9%	0.094	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-44	177.6	178.1	-117.8	0	0	0	110.9	I100 D143 L167 S168 R230 L238 V259	I100-Y261 HydrophobicContact CD1-CD2 4.21Å; D143-Y261 VanDerWaalsContact CB-OH 3.32Å; D143-Y261 WeakPolarHBondContact CB-OH 2.81Å; D143-Y261 WeakPolarHBondContact OD2-CE2 3.37Å; D143-Y261 PolarHBondContact OD2-OH 3.36Å; L167-Y261 HydrophobicContact CD2-CD2 4.47Å; L167-Y261 HydrophobicContact CD2-CE1 4.04Å; L167-Y261 HydrophobicContact CD2-CE2 3.94Å; S168-Y261 PolarHBondContact N-O 3.4Å; S168-Y261 PolarHBondContact OG-O 2.99Å; R230-Y261 PolarHBondContact O-N 3.28Å; L238-Y261 HydrophobicContact CD1-CD1 3.97Å; L238-Y261 HydrophobicContact CD1-CG 4.14Å; L238-Y261 HydrophobicContact CD2-CD1 4.03Å; L238-Y261 HydrophobicContact CD2-CE1 4.48Å; V259-Y261 PolarHBondContact O-N 2.93Å
262	D	97.1	Very high	92.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	164.3	172.7	54.7	81.1	0	0	0	113.2	K165 L166 L167 R230	K165-D262 HydrophobicContact CD-CB 4.49Å; K165-D262 HydrophobicContact CG-CB 4.17Å; L166-D262 WeakPolarHBondContact O-CA 3.38Å; L166-D262 WeakPolarHBondContact O-CB 3.44Å; L167-D262 HydrophobicContact CD2-CB 4.16Å; R230-D262 IonicContact CZ-OD1 2.7Å; R230-D262 IonicContact CZ-OD2 3.41Å; R230-D262 PolarHBondContact N-O 2.9Å; R230-D262 IonicContact NE-OD1 2.63Å; R230-D262 PolarHBondContact NE-OD1 3.24Å; R230-D262 IonicContact NE-OD2 3.22Å; R230-D262 PolarHBondContact NE-OD2 2.94Å; R230-D262 IonicContact NH2-OD1 3.01Å; R230-D262 IonicContact NH2-OD2 3.59Å; R230-D262 PolarHBondContact NH2-OD2 2.89Å
263	V	97	Very high	93	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.2	174.6	-68.2	0	0	0	0	109.5	K165 L166 I199 V200 I203 I229 V260	K165-V263 CarbonylContact C-O 3.54Å; K165-V263 WeakPolarHBondContact CA-O 3.19Å; L166-V263 HydrophobicContact CB-CG2 4.11Å; L166-V263 PolarHBondContact N-O 3.4Å; L166-V263 PolarHBondContact O-N 3.29Å; I199-V263 HydrophobicContact CG2-CG2 4.34Å; V200-V263 HydrophobicContact CG2-CB 4.5Å; V200-V263 HydrophobicContact CG2-CG1 3.88Å; V200-V263 HydrophobicContact CG2-CG2 3.86Å; I203-V263 HydrophobicContact CD1-CB 4.16Å; I203-V263 HydrophobicContact CD1-CG1 4.02Å; I203-V263 HydrophobicContact CD1-CG2 3.83Å; I229-V263 HydrophobicContact CB-CG1 4.33Å; I229-V263 HydrophobicContact CD1-CG1 3.88Å; I229-V263 HydrophobicContact CG1-CG1 3.83Å; V260-V263 HydrophobicContact CG1-CG1 3.98Å
264	T	96.8	Very high	93.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	171.3	-52.7	0	0	0	0	109.2	V150 I152 L164 I227 A228	V150-T264 HydrophobicContact CG2-CG2 3.61Å; I152-T264 HydrophobicContact CD1-CG2 4.38Å; I152-T264 HydrophobicContact CG1-CG2 3.93Å; L164-T264 WeakPolarHBondContact O-CA 3.42Å; I227-T264 HydrophobicContact CD1-CG2 3.77Å; I227-T264 HydrophobicContact CG1-CG2 3.68Å; I227-T264 WeakPolarHBondContact CG1-O 3.18Å; I227-T264 PolarHBondContact N-O 3.36Å; A228-T264 PolarHBondContact N-O 3.11Å; A228-T264 PolarHBondContact O-N 3.36Å
265	L	96	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.4	-179.7	-58.6	-177.1	0	0	0	111.3	G163 L164 L166 I186 I199 I203 L222 E225 V226	G163-L265 CarbonylContact C-O 3.57Å; G163-L265 VanDerWaalsContact CA-O 3.22Å; G163-L265 WeakPolarHBondContact CA-O 3.42Å; L164-L265 PolarHBondContact N-O 3.47Å; L164-L265 PolarHBondContact O-N 3.29Å; L166-L265 HydrophobicContact CD1-CD1 3.57Å; L166-L265 HydrophobicContact CD1-CG 4.13Å; I186-L265 HydrophobicContact CD1-CB 3.82Å; I186-L265 HydrophobicContact CD1-CD1 3.3Å; I186-L265 HydrophobicContact CD1-CG 4.19Å; I199-L265 HydrophobicContact CG2-CD1 3.99Å; I203-L265 HydrophobicContact CD1-CD2 4.09Å; L222-L265 HydrophobicContact CD1-CD1 4.23Å; E225-L265 WeakPolarHBondContact O-CA 3.24Å; V226-L265 HydrophobicContact CB-CD2 4.2Å; V226-L265 HydrophobicContact CG2-CD2 3.53Å
266	R	93.8	Very high	93.4	Very high	71 Å²	71	20.8 Å²	20.8	27%	0.268	11%	0.105	S	C	.	.			trans	-73.1	146	166.9	-168.7	168	-61.6	171.8	12.7	109.9	Y218 E225 I227	Y218-R266 PolarHBondContact OH-NH1 3.36Å; E225-R266 PolarHBondContact O-N 2.96Å; I227-R266 HydrophobicContact CG2-CB 4.27Å
267	Y	93.6	Very high	93.5	Very high	49 Å²	49	21 Å²	21	19%	0.192	11%	0.106	C	C	.	.			trans	-134.1	161.7	173.2	69.5	-91.9	0	0	0	110.9	F149 Q162 L164 I184 E185	F149-Y267 AromaticContact CD1-CE1 3.72Å; F149-Y267 HydrophobicContact CD1-CE1 3.72Å; F149-Y267 AromaticContact CD1-CZ 3.7Å; F149-Y267 HydrophobicContact CE1-CD1 4.48Å; F149-Y267 AromaticContact CE1-CE1 3.94Å; F149-Y267 HydrophobicContact CE1-CE1 3.94Å; F149-Y267 HydrophobicContact CE1-CE2 4.09Å; F149-Y267 AromaticContact CE1-CZ 3.73Å; Q162-Y267 HydrophobicContact CB-CE1 4.33Å; Q162-Y267 PolarHBondContact OE1-OH 3.37Å; L164-Y267 HydrophobicContact CB-CD1 4.02Å; I184-Y267 HydrophobicContact CB-CD2 3.8Å; I184-Y267 HydrophobicContact CB-CG 4.36Å; I184-Y267 HydrophobicContact CD1-CD2 4.25Å; 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 3.71Å; I184-Y267 HydrophobicContact CG2-CG 4.4Å; E185-Y267 CarbonylContact O-C 3.57Å; E185-Y267 WeakPolarHBondContact O-CA 3.49Å; E185-Y267 WeakPolarHBondContact O-CB 3.5Å
268	T	91.8	Very high	93.6	Very high	38 Å²	38	25 Å²	25	23%	0.233	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	168.8	173.1	52	0	0	0	0	109.5	I184 E185 N187	I184-T268 CarbonylContact C-O 3.52Å; I184-T268 VanDerWaalsContact CA-O 3.24Å; I184-T268 WeakPolarHBondContact CA-O 3.36Å; E185-T268 WeakPolarHBondContact CG-OG1 3.44Å; E185-T268 PolarHBondContact N-O 3.25Å; E185-T268 PolarHBondContact O-N 2.95Å; E185-T268 PolarHBondContact O-OG1 2.84Å; N187-T268 PolarHBondContact OD1-OG1 2.92Å
269	P	91.3	Very high	93.6	Very high	98 Å²	98	26.4 Å²	26.4	64%	0.636	13%	0.13	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	144.4	168.5	-24.2	35.5	0	0	0	111.4	E185	E185-P269 WeakPolarHBondContact CG-O 3.45Å
270	I	90.5	Very high	93.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	14%	0.141	C	C	.	.			trans	-62.1	145	178	-165.2	165.5	0	0	0	111.6	I180 N183 Y451 P453	I180-I270 HydrophobicContact CD1-CD1 3.48Å; I180-I270 VanDerWaalsContact CD1-CD1 3.48Å; N183-I270 HydrophobicContact CB-CG2 3.86Å; N183-I270 PolarHBondContact O-N 3.06Å; I270-Y451 HydrophobicContact CD1-CD1 3.61Å; I270-Y451 HydrophobicContact CD1-CE1 4.32Å; I270-Y451 HydrophobicContact CD1-CG 4.01Å; I270-Y451 HydrophobicContact CG1-CD1 4.04Å; I270-P453 HydrophobicContact CD1-CG 4.18Å; I270-P453 HydrophobicContact CG1-CG 4.43Å
271	T	89.6	Confident	93.6	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	16%	0.155	C	C	.	.			trans	-120.4	165.3	175.9	60	0	0	0	0	111.9	E185 T452	E185-T271 VanDerWaalsContact CD-OG1 3.29Å; E185-T271 PolarHBondContact OE1-OG1 2.57Å; E185-T271 PolarHBondContact OE2-N 2.78Å; E185-T271 PolarHBondContact OE2-OG1 3.08Å; T271-T452 VanDerWaalsContact C-OG1 3.26Å; T271-T452 WeakPolarHBondContact O-CB 3.49Å; T271-T452 PolarHBondContact O-N 2.99Å; T271-T452 PolarHBondContact O-OG1 3.43Å; T271-T452 WeakPolarHBondContact OG1-CB 3.31Å; T271-T452 PolarHBondContact OG1-OG1 3.09Å
272	L	89.9	Confident	93.6	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.105	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.7	166.9	-69	174.2	0	0	0	109.9	L366 Y371 I449 Y451	L272-L366 HydrophobicContact CB-CB 4.48Å; L272-L366 HydrophobicContact CB-CD1 3.9Å; L272-L366 PolarHBondContact O-N 3.01Å; L272-Y371 HydrophobicContact CD1-CD2 4.08Å; L272-Y371 HydrophobicContact CD1-CE2 4.4Å; L272-Y371 HydrophobicContact CG-CD2 4.16Å; L272-Y371 HydrophobicContact CG-CE2 4.21Å; L272-I449 HydrophobicContact CB-CG2 4.46Å; L272-Y451 HydrophobicContact CD2-CD1 3.69Å; L272-Y451 HydrophobicContact CD2-CE1 3.91Å; L272-Y451 HydrophobicContact CD2-CG 4.24Å
273	T	89.6	Confident	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.6	-179.3	-78	0	0	0	0	110.3	V275 Q301 T363 I449 Q450 T452 A455	T273-V275 HydrophobicContact CG2-CG2 4.14Å; T273-Q301 PolarHBondContact OG1-NE2 2.96Å; T273-T363 HydrophobicContact CG2-CG2 4.19Å; T273-I449 WeakPolarHBondContact O-CA 3.35Å; T273-Q450 PolarHBondContact N-O 3.24Å; T273-Q450 PolarHBondContact O-N 3.3Å; T273-T452 WeakPolarHBondContact OG1-CB 3.49Å; T273-T452 PolarHBondContact OG1-OG1 3.4Å; T273-A455 HydrophobicContact CG2-CB 3.59Å
274	K	91.2	Very high	93.4	Very high	78 Å²	78	36.3 Å²	36.3	34%	0.339	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.5	165.4	-171.4	-173.8	-173.4	-170.4	0	108.9	N276 T363 K364 L366 T447 I449	K274-N276 VanDerWaalsContact CE-OD1 3.24Å; K274-N276 WeakPolarHBondContact CE-OD1 3.45Å; K274-T363 CarbonylContact O-C 3.11Å; K274-T363 VanDerWaalsContact O-CA 3.31Å; K274-T363 WeakPolarHBondContact O-CA 3.48Å; K274-K364 PolarHBondContact N-O 2.94Å; K274-K364 PolarHBondContact O-N 3.48Å; K274-L366 HydrophobicContact CB-CD2 4.21Å; K274-T447 HydrophobicContact CD-CG2 4Å; K274-T447 HydrophobicContact CG-CG2 3.55Å; K274-I449 HydrophobicContact CB-CG1 4.39Å; K274-I449 HydrophobicContact CG-CG1 4.32Å
275	V	90.5	Very high	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.3	174.1	-173.6	0	0	0	0	108.3	T273 Y277 R361 T362 T363 T447 I448 A455	T273-V275 HydrophobicContact CG2-CG2 4.14Å; V275-Y277 HydrophobicContact CB-CE2 4.25Å; V275-Y277 HydrophobicContact CG1-CD2 4.43Å; V275-Y277 HydrophobicContact CG1-CE1 4.25Å; V275-Y277 HydrophobicContact CG1-CE2 3.62Å; V275-Y277 WeakPolarHBondContact CG1-OH 3.3Å; V275-R361 HydrophobicContact CG1-CG 4.05Å; V275-T362 CarbonylContact C-O 3.49Å; V275-T362 WeakPolarHBondContact CA-O 3.19Å; V275-T363 HydrophobicContact CB-CG2 4.37Å; V275-T363 HydrophobicContact CG1-CG2 4.12Å; V275-T363 HydrophobicContact CG2-CG2 4Å; V275-T447 VanDerWaalsContact O-CA 3.25Å; V275-T447 WeakPolarHBondContact O-CA 3.43Å; V275-I448 PolarHBondContact N-O 3.3Å; V275-I448 PolarHBondContact O-N 3.07Å; V275-A455 HydrophobicContact CG2-CB 3.74Å
276	N	92.8	Very high	93.2	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.8	176.2	-49.8	-62.5	0	0	0	110.9	K274 R361 T362 P446 T447	K274-N276 VanDerWaalsContact CE-OD1 3.24Å; K274-N276 WeakPolarHBondContact CE-OD1 3.45Å; N276-R361 WeakPolarHBondContact O-CA 3.48Å; N276-T362 PolarHBondContact N-O 2.88Å; N276-T362 PolarHBondContact O-N 3.31Å; N276-P446 CarbonylContact C-O 3.55Å; N276-P446 VanDerWaalsContact CA-O 3.24Å; N276-P446 WeakPolarHBondContact CA-O 3.45Å; N276-T447 PolarHBondContact OD1-OG1 3.32Å; N276-T447 VanDerWaalsContact OD1-OG1 3.1Å
277	Y	93.4	Very high	93.1	Very high	5 Å²	5	37 Å²	37	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.7	179.6	-59.4	-88.6	0	0	0	108.9	V275 L359 R361 V406 Y442 P446 I448	V275-Y277 HydrophobicContact CB-CE2 4.25Å; V275-Y277 HydrophobicContact CG1-CD2 4.43Å; V275-Y277 HydrophobicContact CG1-CE1 4.25Å; V275-Y277 HydrophobicContact CG1-CE2 3.62Å; V275-Y277 WeakPolarHBondContact CG1-OH 3.3Å; Y277-L359 HydrophobicContact CD1-CD1 4.05Å; Y277-L359 HydrophobicContact CD1-CD2 4.21Å; Y277-L359 HydrophobicContact CG-CD1 4.48Å; Y277-R361 HydrophobicContact CD1-CB 4.39Å; Y277-R361 HydrophobicContact CD1-CG 4.18Å; Y277-R361 HydrophobicContact CE1-CG 3.91Å; Y277-V406 HydrophobicContact CE1-CG2 3.78Å; Y277-V406 WeakPolarHBondContact OH-CG2 3.38Å; Y277-Y442 HydrophobicContact CD1-CD1 4.16Å; Y277-Y442 HydrophobicContact CD1-CD2 4.41Å; Y277-Y442 HydrophobicContact CD1-CE1 4.44Å; Y277-Y442 HydrophobicContact CD1-CG 4.16Å; Y277-Y442 AromaticContact CD2-CD1 3.77Å; Y277-Y442 HydrophobicContact CD2-CD1 3.77Å; Y277-Y442 HydrophobicContact CD2-CE1 4.29Å; Y277-Y442 HydrophobicContact CD2-CG 4.33Å; Y277-Y442 HydrophobicContact CE1-CD1 4.34Å; Y277-Y442 HydrophobicContact CE1-CE1 4.17Å; Y277-Y442 AromaticContact CE2-CD1 4Å; Y277-Y442 HydrophobicContact CE2-CD1 4Å; Y277-Y442 HydrophobicContact CE2-CE1 4.05Å; Y277-Y442 AromaticContact CG-CD1 3.87Å; Y277-Y442 HydrophobicContact CG-CD1 3.87Å; Y277-Y442 HydrophobicContact CG-CE1 4.49Å; Y277-Y442 AromaticContact CG-CG 3.97Å; Y277-Y442 HydrophobicContact CG-CG 3.97Å; Y277-Y442 AromaticContact CZ-CE1 3.98Å; Y277-P446 PolarHBondContact N-O 3.43Å; Y277-P446 WeakPolarHBondContact O-CB 3.36Å; Y277-I448 HydrophobicContact CE2-CD1 3.74Å; Y277-I448 HydrophobicContact CE2-CG1 4.19Å
278	Q	95	Very high	92.7	Very high	86 Å²	86	37.8 Å²	37.8	40%	0.402	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.3	178.9	-67.5	-179.4	-27.4	0	0	109.9	Y280 L360	Q278-Y280 HydrophobicContact CB-CD2 4.23Å; Q278-Y280 HydrophobicContact CB-CE2 3.49Å; Q278-Y280 VanDerWaalsContact CB-CE2 3.49Å; Q278-Y280 HydrophobicContact CG-CE2 4.46Å; Q278-Y280 PolarHBondContact OE1-OH 3.43Å; Q278-L360 PolarHBondContact N-O 2.78Å; Q278-L360 PolarHBondContact O-N 3.17Å
279	F	96.1	Very high	92.5	Very high	31 Å²	31	43.8 Å²	43.8	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.6	177.6	-67.7	-98.7	0	0	0	109.4	L358 L359 H435 L438 K439	F279-L358 VanDerWaalsContact CA-O 3.32Å; F279-L358 WeakPolarHBondContact CA-O 3.3Å; F279-L359 HydrophobicContact CD1-CB 4.32Å; F279-L359 HydrophobicContact CD2-CD1 4.35Å; F279-L359 HydrophobicContact CE1-CB 3.97Å; F279-L359 HydrophobicContact CE1-CD1 4.28Å; F279-L359 HydrophobicContact CE2-CD1 3.93Å; F279-L359 HydrophobicContact CZ-CB 4.35Å; F279-L359 HydrophobicContact CZ-CD1 3.88Å; F279-H435 AromaticContact CD1-NE2 3.57Å; F279-H435 AromaticContact CE1-NE2 3.76Å; F279-L438 HydrophobicContact CE1-CB 4.36Å; F279-L438 HydrophobicContact CZ-CB 4.05Å; F279-K439 HydrophobicContact CD2-CG 4.49Å; F279-K439 HydrophobicContact CE1-CB 4.32Å; F279-K439 HydrophobicContact CE2-CB 4.48Å; F279-K439 HydrophobicContact CE2-CG 4.44Å; F279-K439 HydrophobicContact CZ-CB 4.16Å
280	Y	96.4	Very high	92.5	Very high	56 Å²	56	42.5 Å²	42.5	22%	0.22	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154	178.5	-66.8	-78.7	0	0	0	109.6	Q278 I292 E357 L358 L360	Q278-Y280 HydrophobicContact CB-CD2 4.23Å; Q278-Y280 HydrophobicContact CB-CE2 3.49Å; Q278-Y280 VanDerWaalsContact CB-CE2 3.49Å; Q278-Y280 HydrophobicContact CG-CE2 4.46Å; Q278-Y280 PolarHBondContact OE1-OH 3.43Å; Y280-I292 HydrophobicContact CD1-CD1 3.97Å; Y280-I292 HydrophobicContact CD1-CG2 4.4Å; Y280-I292 HydrophobicContact CD2-CG2 4.41Å; Y280-I292 HydrophobicContact CE1-CD1 3.9Å; Y280-I292 HydrophobicContact CE1-CG2 4.04Å; Y280-I292 HydrophobicContact CE2-CG2 4.03Å; Y280-E357 CarbonylContact O-C 3.49Å; Y280-E357 VanDerWaalsContact O-CA 3.22Å; Y280-E357 WeakPolarHBondContact O-CA 3.15Å; Y280-L358 PolarHBondContact N-O 2.66Å; Y280-L358 WeakPolarHBondContact O-CG 3.35Å; Y280-L358 PolarHBondContact O-N 2.76Å; Y280-L360 HydrophobicContact CD2-CB 3.91Å; Y280-L360 HydrophobicContact CD2-CD2 4.1Å; Y280-L360 HydrophobicContact CE2-CB 4.13Å; Y280-L360 HydrophobicContact CE2-CD2 3.76Å
281	K	96.6	Very high	92.5	Very high	74 Å²	74	45.2 Å²	45.2	32%	0.322	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	153.7	165.9	-66.2	178.5	171.3	-171.4	0	110.7	S283 D284 L285 E355 D356 E357	K281-S283 VanDerWaalsContact C-N 3.29Å; K281-S283 PolarHBondContact O-N 3.38Å; K281-D284 HydrophobicContact CB-CB 4.49Å; K281-D284 PolarHBondContact O-N 3.04Å; K281-L285 PolarHBondContact O-N 2.97Å; K281-E355 WeakPolarHBondContact CD-OE2 3.39Å; K281-E355 WeakPolarHBondContact CE-OE2 3.24Å; K281-E355 IonicContact NZ-OE2 2.72Å; K281-E355 PolarHBondContact NZ-OE2 2.85Å; K281-D356 WeakPolarHBondContact CA-O 3.26Å; K281-E357 HydrophobicContact CG-CG 4.11Å
282	W	95.8	Very high	92.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-45	170.9	-85.6	117.6	0	0	0	111.6	D284 L285 L286 I305 Y307 E354 D356 L358 I486 L490 L510 I512	W282-D284 VanDerWaalsContact C-N 3.29Å; W282-D284 PolarHBondContact O-N 2.92Å; W282-L285 HydrophobicContact CE3-CD2 4.44Å; W282-L285 HydrophobicContact CZ3-CD2 4.21Å; W282-L285 PolarHBondContact O-N 2.77Å; W282-L286 HydrophobicContact CB-CD1 4.44Å; W282-L286 HydrophobicContact CE3-CD1 3.97Å; W282-L286 HydrophobicContact CE3-CD2 4.08Å; W282-L286 HydrophobicContact CE3-CG 3.89Å; W282-L286 HydrophobicContact CZ3-CD2 4.17Å; W282-L286 HydrophobicContact CZ3-CG 4.48Å; W282-L286 WeakPolarHBondContact O-CB 3.11Å; W282-L286 VanDerWaalsContact O-CG 3.28Å; W282-L286 WeakPolarHBondContact O-CG 3.28Å; W282-L286 PolarHBondContact O-N 3.37Å; W282-I305 HydrophobicContact CH2-CG2 4Å; W282-I305 HydrophobicContact CZ2-CG2 4.4Å; W282-Y307 AromaticContact CE2-CD1 3.97Å; W282-Y307 AromaticContact CE2-CG 3.88Å; W282-Y307 AromaticContact CZ2-CD1 3.81Å; W282-Y307 HydrophobicContact CZ2-CD1 3.81Å; W282-Y307 AromaticContact CZ2-CG 3.8Å; W282-Y307 HydrophobicContact CZ2-CG 3.8Å; W282-Y307 AromaticContact NE1-CD1 3.51Å; W282-Y307 AromaticContact NE1-CD2 3.3Å; W282-Y307 VanDerWaalsContact NE1-CD2 3.3Å; W282-Y307 AromaticContact NE1-CE1 3.6Å; W282-Y307 AromaticContact NE1-CE2 3.43Å; W282-Y307 AromaticContact NE1-CG 3.37Å; W282-Y307 AromaticContact NE1-CZ 3.58Å; W282-E354 WeakPolarHBondContact CB-O 3.34Å; W282-E354 PolarHBondContact N-O 2.69Å; W282-D356 PolarHBondContact N-O 3.34Å; W282-D356 VanDerWaalsContact N-O 3.11Å; W282-L358 HydrophobicContact CD2-CD2 3.32Å; W282-L358 VanDerWaalsContact CE2-CD2 3.47Å; W282-L358 HydrophobicContact CE3-CD2 3.42Å; W282-L358 VanDerWaalsContact CE3-CD2 3.42Å; W282-L358 HydrophobicContact CG-CD2 3.89Å; W282-L358 HydrophobicContact CH2-CD2 3.87Å; W282-L358 HydrophobicContact CZ2-CD2 3.77Å; W282-L358 HydrophobicContact CZ3-CD2 3.69Å; W282-I486 HydrophobicContact CD2-CG2 4.42Å; W282-I486 HydrophobicContact CE3-CG2 3.86Å; W282-I486 HydrophobicContact CH2-CD1 4.35Å; W282-I486 HydrophobicContact CH2-CG2 3.98Å; W282-I486 HydrophobicContact CZ3-CG1 4.36Å; W282-I486 HydrophobicContact CZ3-CG2 3.63Å; W282-L490 HydrophobicContact CB-CD1 4.39Å; W282-L490 HydrophobicContact CD2-CD1 4.23Å; W282-L490 HydrophobicContact CG-CD1 4.04Å; W282-L490 HydrophobicContact CZ2-CD2 4.49Å; W282-L510 HydrophobicContact CZ2-CD2 4.42Å; W282-I512 HydrophobicContact CH2-CD1 3.94Å
283	S	94.9	Very high	93	Very high	38 Å²	38	45.6 Å²	45.6	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-41	178.4	52.3	0	0	0	0	112.9	K281 N287 E354 E355	K281-S283 VanDerWaalsContact C-N 3.29Å; K281-S283 PolarHBondContact O-N 3.38Å; S283-N287 WeakPolarHBondContact O-CB 3.41Å; S283-N287 PolarHBondContact O-N 3.03Å; S283-E354 PolarHBondContact N-O 3.47Å; S283-E354 PolarHBondContact OG-O 2.9Å; S283-E355 WeakPolarHBondContact CB-OE1 3.29Å; S283-E355 PolarHBondContact OG-OE1 3Å
284	D	95.6	Very high	93.1	Very high	69 Å²	69	48.1 Å²	48.1	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-72	-41.2	177	-67.7	-38.7	0	0	0	112.9	K281 W282 N290	K281-D284 HydrophobicContact CB-CB 4.49Å; K281-D284 PolarHBondContact O-N 3.04Å; W282-D284 VanDerWaalsContact C-N 3.29Å; W282-D284 PolarHBondContact O-N 2.92Å; D284-N290 PolarHBondContact O-ND2 3.07Å
285	L	94.7	Very high	93.3	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-72.2	-36.8	-176.4	-168.6	74	0	0	0	112.4	K281 W282 I292 L293 I305 L358	K281-L285 PolarHBondContact O-N 2.97Å; W282-L285 HydrophobicContact CE3-CD2 4.44Å; W282-L285 HydrophobicContact CZ3-CD2 4.21Å; W282-L285 PolarHBondContact O-N 2.77Å; L285-I292 HydrophobicContact CD1-CB 4.31Å; L285-I292 HydrophobicContact CD1-CG2 3.79Å; L285-L293 HydrophobicContact CD1-CB 3.94Å; L285-L293 HydrophobicContact CG-CB 4.25Å; L285-I305 HydrophobicContact CD2-CD1 3.81Å; L285-I305 HydrophobicContact CD2-CG1 4.29Å; L285-L358 HydrophobicContact CD2-CD1 3.83Å; L285-L358 HydrophobicContact CD2-CD2 3.67Å; L285-L358 HydrophobicContact CD2-CG 4.35Å
286	L	93.6	Very high	93.4	Very high	12 Å²	12	49 Å²	49	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-81.8	-17.4	-179.3	-64.9	177.7	0	0	0	113	W282 I288 F482 T483 I486	W282-L286 HydrophobicContact CB-CD1 4.44Å; W282-L286 HydrophobicContact CE3-CD1 3.97Å; W282-L286 HydrophobicContact CE3-CD2 4.08Å; W282-L286 HydrophobicContact CE3-CG 3.89Å; W282-L286 HydrophobicContact CZ3-CD2 4.17Å; W282-L286 HydrophobicContact CZ3-CG 4.48Å; W282-L286 WeakPolarHBondContact O-CB 3.11Å; W282-L286 VanDerWaalsContact O-CG 3.28Å; W282-L286 WeakPolarHBondContact O-CG 3.28Å; W282-L286 PolarHBondContact O-N 3.37Å; L286-I288 PolarHBondContact O-N 2.87Å; L286-I288 VanDerWaalsContact O-N 3.1Å; L286-F482 HydrophobicContact CD2-CE1 4.26Å; L286-T483 HydrophobicContact CB-CG2 4.15Å; L286-T483 HydrophobicContact CD2-CG2 4.4Å; L286-I486 HydrophobicContact CD1-CB 4.33Å; L286-I486 HydrophobicContact CD1-CG2 3.75Å; L286-I486 HydrophobicContact CD2-CB 3.95Å; L286-I486 HydrophobicContact CD2-CG1 4.16Å; L286-I486 HydrophobicContact CD2-CG2 3.95Å; L286-I486 HydrophobicContact CG-CG2 4.43Å
287	N	92.4	Very high	93.4	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.24	S	C	.	.			trans	-69.7	106.8	173.4	-174	-7.9	0	0	0	110.3	S283 E289 N290	S283-N287 WeakPolarHBondContact O-CB 3.41Å; S283-N287 PolarHBondContact O-N 3.03Å; N287-E289 PolarHBondContact O-N 2.97Å; N287-E289 WeakPolarHBondContact OD1-CB 2.86Å; N287-E289 PolarHBondContact OD1-N 2.89Å; N287-E289 VanDerWaalsContact OD1-N 3.07Å; N287-N290 WeakPolarHBondContact O-CB 3.31Å; N287-N290 PolarHBondContact O-N 2.6Å
288	I	84.7	Confident	93.2	Very high	66 Å²	66	51.6 Å²	51.6	34%	0.338	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-30.1	-177.2	-61.6	167	0	0	0	111.6	L286 N290 N291 N480	L286-I288 PolarHBondContact O-N 2.87Å; L286-I288 VanDerWaalsContact O-N 3.1Å; I288-N290 VanDerWaalsContact C-N 3.25Å; I288-N290 PolarHBondContact O-N 2.89Å; I288-N291 PolarHBondContact O-N 3.15Å; I288-N291 PolarHBondContact O-OD1 2.94Å; I288-N480 WeakPolarHBondContact CD1-OD1 3.5Å
289	E	88.3	Confident	93	Very high	164 Å²	164	51.3 Å²	51.3	77%	0.766	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-64.5	-30.4	179	-61	-172.7	167.2	0	0	112.6	N287 N291	N287-E289 PolarHBondContact O-N 2.97Å; N287-E289 WeakPolarHBondContact OD1-CB 2.86Å; N287-E289 PolarHBondContact OD1-N 2.89Å; N287-E289 VanDerWaalsContact OD1-N 3.07Å; E289-N291 VanDerWaalsContact C-N 3.25Å; E289-N291 PolarHBondContact O-N 2.55Å; E289-N291 PolarHBondContact O-ND2 3.44Å; E289-N291 VanDerWaalsContact O-ND2 3.14Å
290	N	90.6	Very high	92.9	Very high	70 Å²	70	50.6 Å²	50.6	37%	0.374	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-71.9	-20	179.5	-70.3	-17.4	0	0	0	112.6	D284 N287 I288 I292	D284-N290 PolarHBondContact O-ND2 3.07Å; N287-N290 WeakPolarHBondContact O-CB 3.31Å; N287-N290 PolarHBondContact O-N 2.6Å; I288-N290 VanDerWaalsContact C-N 3.25Å; I288-N290 PolarHBondContact O-N 2.89Å; N290-I292 HydrophobicContact CB-CD1 3.93Å; N290-I292 HydrophobicContact CB-CG1 4.01Å; N290-I292 PolarHBondContact O-N 2.78Å
291	N	91.1	Very high	92.7	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	26%	0.255	S	S	.	.			trans	53.5	7.7	-178.4	-69.4	-70.3	0	0	0	116.5	I288 E289 L293 K294 D295	I288-N291 PolarHBondContact O-N 3.15Å; I288-N291 PolarHBondContact O-OD1 2.94Å; E289-N291 VanDerWaalsContact C-N 3.25Å; E289-N291 PolarHBondContact O-N 2.55Å; E289-N291 PolarHBondContact O-ND2 3.44Å; E289-N291 VanDerWaalsContact O-ND2 3.14Å; N291-L293 PolarHBondContact O-N 3.32Å; N291-K294 PolarHBondContact O-N 3.47Å; N291-D295 WeakPolarHBondContact O-CB 3.32Å; N291-D295 PolarHBondContact O-N 2.89Å
292	I	94.7	Very high	92.5	Very high	39 Å²	39	44.8 Å²	44.8	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-53.8	-53.2	-174	-64.4	164.1	0	0	0	111.6	Y280 L285 N290 A296 L360	Y280-I292 HydrophobicContact CD1-CD1 3.97Å; Y280-I292 HydrophobicContact CD1-CG2 4.4Å; Y280-I292 HydrophobicContact CD2-CG2 4.41Å; Y280-I292 HydrophobicContact CE1-CD1 3.9Å; Y280-I292 HydrophobicContact CE1-CG2 4.04Å; Y280-I292 HydrophobicContact CE2-CG2 4.03Å; L285-I292 HydrophobicContact CD1-CB 4.31Å; L285-I292 HydrophobicContact CD1-CG2 3.79Å; N290-I292 HydrophobicContact CB-CD1 3.93Å; N290-I292 HydrophobicContact CB-CG1 4.01Å; N290-I292 PolarHBondContact O-N 2.78Å; I292-A296 WeakPolarHBondContact O-CB 2.9Å; I292-A296 PolarHBondContact O-N 2.87Å; I292-L360 HydrophobicContact CG2-CD2 4.38Å
293	L	94.4	Very high	92.4	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-70.9	-38.4	-177.1	-175.9	56.5	0	0	0	111.9	L285 N291 A296 I297 I303 I305 L360 L479 F482 F514	L285-L293 HydrophobicContact CD1-CB 3.94Å; L285-L293 HydrophobicContact CG-CB 4.25Å; N291-L293 PolarHBondContact O-N 3.32Å; L293-A296 PolarHBondContact O-N 3.29Å; L293-I297 HydrophobicContact CD1-CD1 4.06Å; L293-I297 HydrophobicContact CD1-CG1 4.27Å; L293-I297 HydrophobicContact CG-CD1 3.92Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.29Å; L293-I297 PolarHBondContact O-N 3.48Å; L293-I303 HydrophobicContact CD1-CG2 4.23Å; L293-I305 HydrophobicContact CD1-CD1 4.13Å; L293-I305 HydrophobicContact CD2-CD1 4.33Å; L293-L360 HydrophobicContact CD1-CD1 4.44Å; L293-L479 HydrophobicContact CB-CD1 4.06Å; L293-L479 HydrophobicContact CD2-CD1 3.96Å; L293-L479 HydrophobicContact CG-CD1 3.81Å; L293-F482 HydrophobicContact CD2-CD1 3.93Å; L293-F482 HydrophobicContact CD2-CE1 3.45Å; L293-F482 VanDerWaalsContact CD2-CE1 3.45Å; L293-F482 HydrophobicContact CD2-CZ 4.23Å; L293-F514 HydrophobicContact CD1-CE2 3.94Å; L293-F514 HydrophobicContact CD1-CZ 4.3Å; L293-F514 HydrophobicContact CD2-CE2 4.41Å; L293-F514 HydrophobicContact CD2-CZ 3.98Å
294	K	93	Very high	92.3	Very high	54 Å²	54	43 Å²	43	24%	0.235	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-45.8	177.9	-169.9	-179.4	-173.4	178.2	0	111.3	N291 A296 I297 T298 E478 L479	N291-K294 PolarHBondContact O-N 3.47Å; K294-A296 VanDerWaalsContact C-N 3.34Å; K294-I297 PolarHBondContact O-N 3.39Å; K294-T298 VanDerWaalsContact O-CG2 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.23Å; K294-T298 PolarHBondContact O-N 3.49Å; K294-T298 PolarHBondContact O-OG1 2.86Å; K294-E478 IonicContact NZ-OE1 2.74Å; K294-E478 PolarHBondContact NZ-OE1 3Å; K294-E478 IonicContact NZ-OE2 2.66Å; K294-E478 PolarHBondContact NZ-OE2 2.69Å; K294-L479 HydrophobicContact CB-CD1 4.22Å
295	D	93.6	Very high	92.2	Very high	87 Å²	87	39.7 Å²	39.7	47%	0.465	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-40.6	175.8	-73.5	-7.5	0	0	0	111	N291 I297 T298 T299	N291-D295 WeakPolarHBondContact O-CB 3.32Å; N291-D295 PolarHBondContact O-N 2.89Å; D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact O-N 3.22Å; D295-T298 WeakPolarHBondContact CA-OG1 3.48Å; D295-T298 PolarHBondContact O-N 3.1Å; D295-T298 PolarHBondContact O-OG1 3.47Å; D295-T299 WeakPolarHBondContact O-CB 3.48Å; D295-T299 VanDerWaalsContact O-CG2 3.32Å; D295-T299 WeakPolarHBondContact O-CG2 3.42Å; D295-T299 PolarHBondContact O-N 2.97Å; D295-T299 PolarHBondContact O-OG1 3.07Å
296	A	94.1	Very high	92.1	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-46.2	175.2	0	0	0	0	0	111.4	I292 L293 K294 N300 I303 L360 T362	I292-A296 WeakPolarHBondContact O-CB 2.9Å; I292-A296 PolarHBondContact O-N 2.87Å; L293-A296 PolarHBondContact O-N 3.29Å; K294-A296 VanDerWaalsContact C-N 3.34Å; A296-N300 WeakPolarHBondContact CA-ND2 3.37Å; A296-N300 VanDerWaalsContact O-CB 3.3Å; A296-N300 WeakPolarHBondContact O-CB 3.43Å; A296-N300 PolarHBondContact O-N 3.2Å; A296-N300 VanDerWaalsContact O-N 3.17Å; A296-N300 PolarHBondContact O-ND2 3.33Å; A296-I303 HydrophobicContact CB-CG1 4.41Å; A296-I303 HydrophobicContact CB-CG2 4.4Å; A296-I303 WeakPolarHBondContact O-CG1 2.99Å; A296-L360 HydrophobicContact CB-CD2 4.23Å; A296-T362 HydrophobicContact CB-CG2 4.18Å
297	I	92.5	Very high	92.2	Very high	9 Å²	9	39 Å²	39	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-39.3	-179.3	-69.7	169.2	0	0	0	112.3	P213 S214 L293 K294 D295 I303 L479 F514 L541	P213-I297 HydrophobicContact CG-CG2 4.2Å; S214-I297 PolarHBondContact OG-O 2.89Å; L293-I297 HydrophobicContact CD1-CD1 4.06Å; L293-I297 HydrophobicContact CD1-CG1 4.27Å; L293-I297 HydrophobicContact CG-CD1 3.92Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.29Å; L293-I297 PolarHBondContact O-N 3.48Å; K294-I297 PolarHBondContact O-N 3.39Å; D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact O-N 3.22Å; I297-I303 HydrophobicContact CB-CD1 4.39Å; I297-I303 HydrophobicContact CG1-CD1 4.27Å; I297-I303 HydrophobicContact CG1-CG1 4.2Å; I297-I303 HydrophobicContact CG1-CG2 4.48Å; I297-L479 HydrophobicContact CD1-CD1 4.15Å; I297-L479 HydrophobicContact CD1-CD2 4.04Å; I297-F514 HydrophobicContact CD1-CB 4.4Å; I297-F514 HydrophobicContact CD1-CD1 3.66Å; I297-F514 HydrophobicContact CD1-CD2 4.05Å; I297-F514 HydrophobicContact CD1-CE1 3.83Å; I297-F514 HydrophobicContact CD1-CE2 4.22Å; I297-F514 HydrophobicContact CD1-CG 3.76Å; I297-F514 HydrophobicContact CD1-CZ 4.11Å; I297-F514 HydrophobicContact CG1-CB 4.35Å; I297-F514 HydrophobicContact CG1-CD1 4.48Å; I297-F514 HydrophobicContact CG1-CD2 4.26Å; I297-F514 HydrophobicContact CG1-CG 4.11Å; I297-L541 HydrophobicContact CD1-CD2 4.09Å; I297-L541 HydrophobicContact CG2-CD1 3.89Å; I297-L541 HydrophobicContact CG2-CD2 4.17Å
298	T	89.7	Confident	92.3	Very high	78 Å²	78	36 Å²	36	48%	0.479	19%	0.19	S	C	.	.	H	α-helix	trans	-82.4	-18.6	-175.9	54.9	0	0	0	0	114	S214 K294 D295	S214-T298 WeakPolarHBondContact CB-O 3.39Å; S214-T298 WeakPolarHBondContact OG-CA 3.4Å; S214-T298 PolarHBondContact OG-O 3.39Å; K294-T298 VanDerWaalsContact O-CG2 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.23Å; K294-T298 PolarHBondContact O-N 3.49Å; K294-T298 PolarHBondContact O-OG1 2.86Å; D295-T298 WeakPolarHBondContact CA-OG1 3.48Å; D295-T298 PolarHBondContact O-N 3.1Å; D295-T298 PolarHBondContact O-OG1 3.47Å
299	T	91	Very high	92.7	Very high	81 Å²	81	33 Å²	33	50%	0.497	18%	0.175	S	C	.	.	H	α-helix	trans	-111.5	-20	-174.5	61.6	0	0	0	0	115	D295	D295-T299 WeakPolarHBondContact O-CB 3.48Å; D295-T299 VanDerWaalsContact O-CG2 3.32Å; D295-T299 WeakPolarHBondContact O-CG2 3.42Å; D295-T299 PolarHBondContact O-N 2.97Å; D295-T299 PolarHBondContact O-OG1 3.07Å
300	N	92.9	Very high	92.9	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.08	14%	0.14	C	C	.	.			trans	-107.6	148.1	-174.3	-62.7	-72.9	0	0	0	111.4	A296 S302 I303 T363	A296-N300 WeakPolarHBondContact CA-ND2 3.37Å; A296-N300 VanDerWaalsContact O-CB 3.3Å; A296-N300 WeakPolarHBondContact O-CB 3.43Å; A296-N300 PolarHBondContact O-N 3.2Å; A296-N300 VanDerWaalsContact O-N 3.17Å; A296-N300 PolarHBondContact O-ND2 3.33Å; N300-S302 VanDerWaalsContact C-N 3.29Å; N300-S302 PolarHBondContact O-N 3.43Å; N300-I303 HydrophobicContact CB-CD1 4.29Å; N300-I303 HydrophobicContact CB-CG1 4.23Å; N300-T363 CarbonylContact C-O 3.6Å; N300-T363 WeakPolarHBondContact CA-O 3.45Å; N300-T363 VanDerWaalsContact CB-O 3.27Å; N300-T363 WeakPolarHBondContact CB-O 3.41Å
301	Q	92.5	Very high	93	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.033	13%	0.127	C	C	.	.	S	Bend	trans	-70.3	-29.6	178.1	76.9	179.4	-24	0	0	111.6	I211 G212 T273 T363	I211-Q301 CarbonylContact C-O 3.54Å; I211-Q301 WeakPolarHBondContact CA-O 3.33Å; I211-Q301 HydrophobicContact CD1-CB 4.41Å; I211-Q301 HydrophobicContact CD1-CG 4.03Å; G212-Q301 PolarHBondContact N-O 3.45Å; T273-Q301 PolarHBondContact OG1-NE2 2.96Å; Q301-T363 WeakPolarHBondContact CG-O 3.48Å; Q301-T363 WeakPolarHBondContact CG-OG1 3.45Å; Q301-T363 PolarHBondContact N-O 3.46Å; Q301-T363 PolarHBondContact NE2-OG1 3.25Å
302	S	92.3	Very high	93.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.3	176.6	81.3	0	0	0	0	110.3	I210 N300 T362 T363 L456	I210-S302 VanDerWaalsContact O-CB 3.28Å; I210-S302 WeakPolarHBondContact O-CB 3.33Å; N300-S302 VanDerWaalsContact C-N 3.29Å; N300-S302 PolarHBondContact O-N 3.43Å; S302-T362 WeakPolarHBondContact O-CA 3.2Å; S302-T363 WeakPolarHBondContact CB-OG1 3.16Å; S302-T363 PolarHBondContact O-N 2.93Å; S302-T363 WeakPolarHBondContact OG-CB 3.37Å; S302-T363 VanDerWaalsContact OG-CG2 3.29Å; S302-T363 WeakPolarHBondContact OG-CG2 3.46Å; S302-T363 PolarHBondContact OG-OG1 3.02Å; S302-L456 WeakPolarHBondContact OG-CD2 3.5Å
303	I	93.3	Very high	93	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.8	-176.6	-55.5	86.9	0	0	0	107.5	L293 A296 I297 N300 L360 F514	L293-I303 HydrophobicContact CD1-CG2 4.23Å; A296-I303 HydrophobicContact CB-CG1 4.41Å; A296-I303 HydrophobicContact CB-CG2 4.4Å; A296-I303 WeakPolarHBondContact O-CG1 2.99Å; I297-I303 HydrophobicContact CB-CD1 4.39Å; I297-I303 HydrophobicContact CG1-CD1 4.27Å; I297-I303 HydrophobicContact CG1-CG1 4.2Å; I297-I303 HydrophobicContact CG1-CG2 4.48Å; N300-I303 HydrophobicContact CB-CD1 4.29Å; N300-I303 HydrophobicContact CB-CG1 4.23Å; I303-L360 HydrophobicContact CG2-CD1 3.86Å; I303-F514 HydrophobicContact CB-CD2 4.25Å; I303-F514 HydrophobicContact CG2-CD2 4.1Å; I303-F514 PolarHBondContact O-N 3.02Å
304	E	92.4	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.9	-177	177.5	168.5	-115.1	0	0	110.5	I306 R361 F459 R511 I512 Q513	E304-I306 HydrophobicContact CG-CD1 4.29Å; E304-I306 HydrophobicContact CG-CG1 4.11Å; E304-R361 HydrophobicContact CB-CB 4.29Å; E304-R361 PolarHBondContact N-O 3.5Å; E304-R361 PolarHBondContact O-N 2.86Å; E304-R361 WeakPolarHBondContact OE2-CD 3.38Å; E304-R361 IonicContact OE2-CZ 3.65Å; E304-R361 IonicContact OE2-NE 3.59Å; E304-R361 IonicContact OE2-NH1 3.34Å; E304-R361 PolarHBondContact OE2-NH1 3.37Å; E304-F459 VanDerWaalsContact OE2-CE2 3.24Å; E304-F459 WeakPolarHBondContact OE2-CE2 3.41Å; E304-R511 HydrophobicContact CG-CG 4.4Å; E304-R511 IonicContact OE1-CZ 3.22Å; E304-R511 IonicContact OE1-NE 3.62Å; E304-R511 PolarHBondContact OE1-NE 2.8Å; E304-R511 IonicContact OE1-NH2 3.53Å; E304-R511 PolarHBondContact OE1-NH2 3.36Å; E304-I512 CarbonylContact C-O 3.56Å; E304-I512 VanDerWaalsContact CA-O 3.3Å; E304-I512 WeakPolarHBondContact CA-O 3.49Å; E304-Q513 HydrophobicContact CB-CG 4.42Å; E304-Q513 HydrophobicContact CG-CG 4.22Å; E304-Q513 PolarHBondContact OE1-NE2 2.76Å
305	I	94.7	Very high	92	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.6	174.2	-61.3	165.3	0	0	0	107.5	W282 L285 L293 L358 L360 F482 R511 I512 F514	W282-I305 HydrophobicContact CH2-CG2 4Å; W282-I305 HydrophobicContact CZ2-CG2 4.4Å; L285-I305 HydrophobicContact CD2-CD1 3.81Å; L285-I305 HydrophobicContact CD2-CG1 4.29Å; L293-I305 HydrophobicContact CD1-CD1 4.13Å; L293-I305 HydrophobicContact CD2-CD1 4.33Å; I305-L358 HydrophobicContact CG2-CB 4.34Å; I305-L358 HydrophobicContact CG2-CD1 3.72Å; I305-L358 HydrophobicContact CG2-CD2 4.1Å; I305-L358 HydrophobicContact CG2-CG 4.25Å; I305-L360 HydrophobicContact CG1-CD1 3.84Å; I305-F482 HydrophobicContact CD1-CZ 4.26Å; I305-R511 CarbonylContact O-C 3.45Å; I305-R511 VanDerWaalsContact O-CA 3.31Å; I305-R511 WeakPolarHBondContact O-CA 3.33Å; I305-I512 HydrophobicContact CB-CB 4.13Å; I305-I512 HydrophobicContact CD1-CB 4.42Å; I305-I512 HydrophobicContact CD1-CD1 4.37Å; I305-I512 PolarHBondContact N-O 2.8Å; I305-I512 PolarHBondContact O-N 3.46Å; I305-F514 HydrophobicContact CD1-CE2 3.89Å; I305-F514 HydrophobicContact CD1-CZ 4.37Å
306	I	93.2	Very high	91.1	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.3	176.6	-59.6	140.9	0	0	0	106.8	E304 L359 R361 L408 F459	E304-I306 HydrophobicContact CG-CD1 4.29Å; E304-I306 HydrophobicContact CG-CG1 4.11Å; I306-L359 HydrophobicContact CB-CB 4.21Å; I306-L359 HydrophobicContact CD1-CD2 3.69Å; I306-L359 HydrophobicContact CD1-CG 4.02Å; I306-L359 PolarHBondContact N-O 3.16Å; I306-L359 PolarHBondContact O-N 2.96Å; I306-R361 HydrophobicContact CD1-CB 4.24Å; I306-L408 HydrophobicContact CG2-CD1 4.43Å; I306-L408 HydrophobicContact CG2-CD2 3.54Å; I306-F459 HydrophobicContact CD1-CE2 3.87Å; I306-F459 HydrophobicContact CD1-CZ 3.41Å; I306-F459 VanDerWaalsContact CD1-CZ 3.41Å; I306-F459 HydrophobicContact CG1-CE2 4.35Å; I306-F459 HydrophobicContact CG1-CZ 3.78Å
307	Y	94.9	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.3	-176.8	167.2	-132	0	0	0	109.9	W282 P309 I353 D356 L358 L490 L493 G509 L510	W282-Y307 AromaticContact CE2-CD1 3.97Å; W282-Y307 AromaticContact CE2-CG 3.88Å; W282-Y307 AromaticContact CZ2-CD1 3.81Å; W282-Y307 HydrophobicContact CZ2-CD1 3.81Å; W282-Y307 AromaticContact CZ2-CG 3.8Å; W282-Y307 HydrophobicContact CZ2-CG 3.8Å; W282-Y307 AromaticContact NE1-CD1 3.51Å; W282-Y307 AromaticContact NE1-CD2 3.3Å; W282-Y307 VanDerWaalsContact NE1-CD2 3.3Å; W282-Y307 AromaticContact NE1-CE1 3.6Å; W282-Y307 AromaticContact NE1-CE2 3.43Å; W282-Y307 AromaticContact NE1-CG 3.37Å; W282-Y307 AromaticContact NE1-CZ 3.58Å; Y307-P309 HydrophobicContact CD1-CG 4.41Å; Y307-P309 HydrophobicContact CE1-CB 4.43Å; Y307-P309 HydrophobicContact CE1-CG 3.81Å; Y307-P309 HydrophobicContact CE2-CB 4.36Å; Y307-P309 HydrophobicContact CE2-CG 4.31Å; Y307-P309 WeakPolarHBondContact OH-CA 3.49Å; Y307-I353 WeakPolarHBondContact OH-CG1 2.82Å; Y307-D356 HydrophobicContact CE2-CB 3.68Å; Y307-D356 PolarHBondContact OH-OD2 3.49Å; Y307-D356 VanDerWaalsContact OH-OD2 3.04Å; Y307-L358 HydrophobicContact CD2-CB 4.42Å; Y307-L490 HydrophobicContact CD1-CD2 4.39Å; Y307-L490 HydrophobicContact CE1-CD2 3.72Å; Y307-L493 HydrophobicContact CE1-CD1 4.14Å; Y307-G509 CarbonylContact O-C 3.6Å; Y307-G509 VanDerWaalsContact O-CA 3.29Å; Y307-G509 WeakPolarHBondContact O-CA 3.26Å; Y307-L510 HydrophobicContact CD1-CB 3.91Å; Y307-L510 HydrophobicContact CD1-CD2 4.39Å; Y307-L510 PolarHBondContact N-O 3.48Å; Y307-L510 PolarHBondContact O-N 2.94Å
308	L	93.5	Very high	87.1	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	21%	0.205	C	C	.	.			trans	-109.8	107.2	172.9	-59.8	-178.1	0	0	0	108.1	N311 L431 A434 H435 L438	L308-N311 PolarHBondContact O-ND2 3.01Å; L308-L431 HydrophobicContact CD2-CD2 4.23Å; L308-A434 HydrophobicContact CD1-CB 3.83Å; L308-H435 HydrophobicContact CB-CB 4.4Å; L308-H435 HydrophobicContact CD1-CB 4.36Å; L308-L438 HydrophobicContact CD1-CD1 3.79Å
309	P	93.4	Very high	84.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.019	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	166.4	-176.5	-26	30.9	0	0	0	115.2	Y307 N311 W351 L431	Y307-P309 HydrophobicContact CD1-CG 4.41Å; Y307-P309 HydrophobicContact CE1-CB 4.43Å; Y307-P309 HydrophobicContact CE1-CG 3.81Å; Y307-P309 HydrophobicContact CE2-CB 4.36Å; Y307-P309 HydrophobicContact CE2-CG 4.31Å; Y307-P309 WeakPolarHBondContact OH-CA 3.49Å; P309-N311 VanDerWaalsContact C-N 3.3Å; P309-N311 PolarHBondContact O-N 2.9Å; P309-W351 HydrophobicContact CB-CZ2 4.03Å; P309-L431 WeakPolarHBondContact O-CB 3.15Å
310	Y	93.7	Very high	82	Confident	10 Å²	10	41.3 Å²	41.3	4%	0.039	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	8	171.6	-41.3	-73.4	0	0	0	115.4	S312 C313 L348 W351 D356 P428 L431 A497 Y504	Y310-S312 VanDerWaalsContact C-N 3.32Å; Y310-S312 PolarHBondContact O-N 3.4Å; Y310-C313 WeakPolarHBondContact O-CB 3.46Å; Y310-C313 PolarHBondContact O-N 3.47Å; Y310-C313 PolarHBondContact O-SG 3.33Å; Y310-C313 VanDerWaalsContact O-SG 3.34Å; Y310-L348 HydrophobicContact CD1-CD2 4.14Å; Y310-W351 AromaticContact CD1-CD2 3.68Å; Y310-W351 HydrophobicContact CD1-CD2 3.68Å; Y310-W351 AromaticContact CD1-CE2 3.61Å; Y310-W351 AromaticContact CD1-CE3 3.79Å; Y310-W351 HydrophobicContact CD1-CE3 3.79Å; Y310-W351 HydrophobicContact CD1-CG 4.4Å; Y310-W351 AromaticContact CD1-CH2 3.76Å; Y310-W351 HydrophobicContact CD1-CH2 3.76Å; Y310-W351 AromaticContact CD1-CZ2 3.64Å; Y310-W351 HydrophobicContact CD1-CZ2 3.64Å; Y310-W351 AromaticContact CD1-CZ3 3.85Å; Y310-W351 HydrophobicContact CD1-CZ3 3.85Å; Y310-W351 HydrophobicContact CE1-CD2 4.13Å; Y310-W351 AromaticContact CE1-CE3 3.78Å; Y310-W351 HydrophobicContact CE1-CE3 3.78Å; Y310-W351 AromaticContact CE1-CH2 3.32Å; Y310-W351 HydrophobicContact CE1-CH2 3.32Å; Y310-W351 AromaticContact CE1-CZ2 3.69Å; Y310-W351 HydrophobicContact CE1-CZ2 3.69Å; Y310-W351 AromaticContact CE1-CZ3 3.39Å; Y310-W351 HydrophobicContact CE1-CZ3 3.39Å; Y310-W351 HydrophobicContact CG-CZ2 4.39Å; Y310-D356 PolarHBondContact N-OD2 3.36Å; Y310-P428 HydrophobicContact CD1-CB 4.06Å; Y310-P428 HydrophobicContact CD1-CG 4.31Å; Y310-P428 VanDerWaalsContact CD2-CA 3.5Å; Y310-P428 HydrophobicContact CD2-CB 3.91Å; Y310-P428 HydrophobicContact CD2-CG 4.25Å; Y310-P428 HydrophobicContact CE1-CG 4.38Å; Y310-P428 HydrophobicContact CE2-CB 4.47Å; Y310-P428 HydrophobicContact CE2-CG 4.32Å; Y310-P428 HydrophobicContact CG-CB 3.69Å; Y310-P428 HydrophobicContact CG-CG 4.26Å; Y310-L431 HydrophobicContact CD2-CB 4.31Å; Y310-L431 HydrophobicContact CD2-CD1 3.97Å; Y310-L431 HydrophobicContact CE2-CD1 3.94Å; Y310-A497 HydrophobicContact CE1-CB 4.01Å; Y310-Y504 HydrophobicContact CE1-CE1 4.42Å; Y310-Y504 AromaticContact CZ-CD1 3.97Å; Y310-Y504 WeakPolarHBondContact OH-CD1 3.35Å
311	N	93.2	Very high	79.1	Confident	18 Å²	18	47.8 Å²	47.8	10%	0.096	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.6	-173	67.1	66	0	0	0	114.1	L308 P309 D356 E357 H435	L308-N311 PolarHBondContact O-ND2 3.01Å; P309-N311 VanDerWaalsContact C-N 3.3Å; P309-N311 PolarHBondContact O-N 2.9Å; N311-D356 PolarHBondContact N-OD1 3.23Å; N311-D356 WeakPolarHBondContact OD1-CA 3.38Å; N311-E357 PolarHBondContact ND2-O 2.83Å; N311-E357 PolarHBondContact OD1-N 3.18Å; N311-H435 HydrophobicContact CB-CB 4Å
312	S	93.7	Very high	76.2	Confident	35 Å²	35	54.9 Å²	54.9	25%	0.245	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.1	170.6	65.7	0	0	0	0	114.5	Y310 N352 D356	Y310-S312 VanDerWaalsContact C-N 3.32Å; Y310-S312 PolarHBondContact O-N 3.4Å; S312-N352 PolarHBondContact OG-N 3.14Å; S312-N352 PolarHBondContact OG-O 3.05Å; S312-D356 WeakPolarHBondContact CB-OD1 3.07Å; S312-D356 PolarHBondContact N-OD1 3.44Å; S312-D356 PolarHBondContact OG-OD1 2.85Å
313	C	90.9	Very high	73.3	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	34%	0.343	C	S	.	.	S	Bend	trans	-59.1	142.5	179.6	-66.3	0	0	0	0	111	Y310 M346 W351 K432	Y310-C313 WeakPolarHBondContact O-CB 3.46Å; Y310-C313 PolarHBondContact O-N 3.47Å; Y310-C313 PolarHBondContact O-SG 3.33Å; Y310-C313 VanDerWaalsContact O-SG 3.34Å; C313-M346 HydrophobicContact CB-CE 3.29Å; C313-M346 HydrophobicContact CB-SD 3.98Å; C313-W351 WeakPolarHBondContact SG-CB 3.27Å; C313-W351 VanDerWaalsContact SG-CD1 3.58Å; C313-W351 VanDerWaalsContact SG-CG 3.5Å; C313-K432 PolarHBondContact O-NZ 3.05Å
314	R	85.4	Confident	70.4	Confident	169 Å²	169	69.3 Å²	69.3	64%	0.638	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.7	170.8	-64.8	179.1	177.4	-171.3	-3.8	110.8	D347 S350	R314-D347 HydrophobicContact CB-CB 4.48Å; R314-D347 PolarHBondContact O-N 3.36Å; R314-S350 PolarHBondContact N-OG 3.5Å
315	T	80.3	Confident	67.7	Low	41 Å²	41	77.2 Å²	77.2	25%	0.252	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.9	172.1	-48.3	0	0	0	0	108.7	H341 K432	T315-H341 WeakPolarHBondContact CG2-O 3.23Å; T315-K432 PolarHBondContact OG1-NZ 3.28Å
316	L	76.1	Confident	64.8	Low	91 Å²	91	82.4 Å²	82.4	48%	0.476	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.1	176.1	-64.3	165.7	0	0	0	108.9	G344 L345 D347	L316-G344 WeakPolarHBondContact O-CA 3.31Å; L316-L345 WeakPolarHBondContact CB-O 3.5Å; L316-L345 PolarHBondContact N-O 3.07Å; L316-L345 PolarHBondContact O-N 3.43Å; L316-D347 HydrophobicContact CD1-CB 4.07Å; L316-D347 HydrophobicContact CG-CB 4.14Å
317	S	61.1	Low	61.9	Low	81 Å²	81	88.4 Å²	88.4	57%	0.566	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-74.5	126.3	170.6	49.6	0	0	0	0	109.6	T319	S317-T319 PolarHBondContact O-N 2.78Å
318	S	41.8	Very low	58.7	Low	118 Å²	118	96.1 Å²	96.1	83%	0.825	53%	0.534	S	S	*	.			trans	-76.1	74.4	172.8	59.6	0	0	0	0	110
319	T	41.2	Very low	55.7	Low	109 Å²	109	100.6 Å²	100.6	67%	0.669	57%	0.571	S	S	*	*			trans	-92.6	93.5	161	46.4	0	0	0	0	108.2	S317 D321	S317-T319 PolarHBondContact O-N 2.78Å; T319-D321 VanDerWaalsContact C-N 3.28Å; T319-D321 PolarHBondContact O-N 2.67Å
320	N	31	Very low	52.7	Low	159 Å²	159	107.2 Å²	107.2	85%	0.85	61%	0.611	S	S	*	*			trans	-59.4	98.9	148.8	-85	-22	0	0	0	106.6
321	D	33.6	Very low	49.7	Very low	151 Å²	151	112.1 Å²	112.1	81%	0.807	64%	0.642	S	S	*	*			trans	-141.8	112.3	152.8	-89	-37.1	0	0	0	109	T319 N323	T319-D321 VanDerWaalsContact C-N 3.28Å; T319-D321 PolarHBondContact O-N 2.67Å; D321-N323 PolarHBondContact O-N 3.07Å
322	N	29.9	Very low	46.6	Very low	155 Å²	155	118.1 Å²	118.1	83%	0.829	67%	0.674	S	S	*	*			trans	-49.7	117.3	160.4	-64.1	-54.8	0	0	0	108.1
323	N	32.8	Very low	43.4	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	70%	0.696	S	S	*	*			trans	-179.6	137.3	132.6	-85.6	-27.1	0	0	0	111.1	D321	D321-N323 PolarHBondContact O-N 3.07Å
324	D	32.5	Very low	40.5	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	74%	0.735	S	S	*	*			trans	-49.3	144	174.8	-62.5	-61.1	0	0	0	114.1
325	I	34.2	Very low	37.7	Very low	165 Å²	165	125.2 Å²	125.2	85%	0.846	74%	0.74	S	S	*	*				171.7	147.7	123.7	-85	159.3	0	0	0	109.8
326	P	33.7	Very low	35.4	Very low	109 Å²	109	131.1 Å²	131.1	71%	0.708	77%	0.77	S	S	*	*			trans	-92.8	163.8	-150.9	26.5	-13.7	0	0	0	115.5	D328	P326-D328 PolarHBondContact O-N 2.81Å
327	T	33.4	Very low	33.6	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	78%	0.781	S	S	*	*			trans	-32.4	115.2	170.7	48.7	0	0	0	0	115.2
328	D	27.8	Very low	32.5	Very low	163 Å²	163	134.6 Å²	134.6	87%	0.872	79%	0.787	S	S	*	*			trans	-154.2	133.5	141.9	-97	-28.4	0	0	0	111	P326	P326-D328 PolarHBondContact O-N 2.81Å
329	A	29.8	Very low	32.7	Very low	97 Å²	97	132.4 Å²	132.4	80%	0.802	77%	0.766	S	S	*	*			trans	-5	114.4	174.3	0	0	0	0	0	118.9
330	V	31.7	Very low	32.9	Very low	143 Å²	143	133.9 Å²	133.9	87%	0.867	77%	0.77	S	S	*	*			trans	-100.4	111.8	155.2	179.1	0	0	0	0	108.5
331	V	29	Very low	33.8	Very low	113 Å²	113	133 Å²	133	69%	0.685	76%	0.761	S	S	*	*			trans	-67.3	124.5	164.6	176.5	0	0	0	0	107.6	N333	V331-N333 PolarHBondContact O-N 2.88Å
332	D	28.9	Very low	35	Very low	143 Å²	143	126.9 Å²	126.9	77%	0.765	73%	0.727	S	S	*	*			trans	-66.2	96.9	177	-155.5	1.8	0	0	0	109.2
333	N	27.5	Very low	36.3	Very low	132 Å²	132	125 Å²	125	71%	0.706	72%	0.718	S	S	*	*			trans	-103.7	118.8	169.8	-92.7	-19.2	0	0	0	107.3	V331 N335	V331-N333 PolarHBondContact O-N 2.88Å; N333-N335 PolarHBondContact O-N 3.13Å
334	G	28.3	Very low	37.8	Very low	80 Å²	80	118.3 Å²	118.3	83%	0.825	69%	0.685	S	S	*	*			trans	-64.1	98	-169.7	0	0	0	0	0	113.2
335	N	27.3	Very low	39.8	Very low	142 Å²	142	117.6 Å²	117.6	76%	0.759	68%	0.681	S	S	*	*			trans	-119.6	133.4	167.5	-80.6	-22.7	0	0	0	108.1	N333 V337	N333-N335 PolarHBondContact O-N 3.13Å; N335-V337 PolarHBondContact O-N 3.5Å; N335-V337 VanDerWaalsContact O-N 3.08Å
336	D	31.1	Very low	42.1	Very low	165 Å²	165	111 Å²	111	88%	0.882	65%	0.647	S	S	*	*			trans	-35.1	111.4	172.8	-63.3	-53.6	0	0	0	111.1	D338	D336-D338 PolarHBondContact O-N 3.44Å; D336-D338 VanDerWaalsContact O-N 3.16Å
337	V	38.8	Very low	44.6	Very low	115 Å²	115	108 Å²	108	70%	0.697	62%	0.624	S	S	*	*			trans	-62	119.4	169.9	-179.8	0	0	0	0	106	N335 D339	N335-V337 PolarHBondContact O-N 3.5Å; N335-V337 VanDerWaalsContact O-N 3.08Å; V337-D339 PolarHBondContact O-N 2.96Å
338	D	37.7	Very low	47	Very low	130 Å²	130	104 Å²	104	70%	0.695	60%	0.598	S	S	*	*			trans	-65	84	173.2	-158.1	-10.2	0	0	0	107.8	D336 N340	D336-D338 PolarHBondContact O-N 3.44Å; D336-D338 VanDerWaalsContact O-N 3.16Å; D338-N340 PolarHBondContact O-N 3.04Å; D338-N340 PolarHBondContact OD1-ND2 2.88Å
339	D	46.9	Very low	49.8	Very low	72 Å²	72	105.2 Å²	105.2	39%	0.385	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-69.4	10.5	-169.4	-91	-17.3	0	0	0	114	V337 H341 H436	V337-D339 PolarHBondContact O-N 2.96Å; D339-H341 PolarHBondContact O-N 2.96Å; D339-H341 VanDerWaalsContact O-N 3.08Å; D339-H436 IonicContact OD2-CE1 2.81Å; D339-H436 IonicContact OD2-ND1 2.64Å
340	N	44.2	Very low	52.6	Low	141 Å²	141	102.2 Å²	102.2	75%	0.754	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-71.5	0.8	-179.9	-73.7	-49.6	0	0	0	114.2	D338	D338-N340 PolarHBondContact O-N 3.04Å; D338-N340 PolarHBondContact OD1-ND2 2.88Å
341	H	51	Low	55.5	Low	141 Å²	141	96 Å²	96	65%	0.653	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-123.7	45	-179.7	-82.5	-49.6	0	0	0	114.1	T315 D339 D343 G344	T315-H341 WeakPolarHBondContact CG2-O 3.23Å; D339-H341 PolarHBondContact O-N 2.96Å; D339-H341 VanDerWaalsContact O-N 3.08Å; H341-D343 PolarHBondContact O-N 3.14Å; H341-G344 PolarHBondContact O-N 3.24Å
342	I	57.8	Low	58.6	Low	21 Å²	21	94.2 Å²	94.2	11%	0.108	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-8.3	168.3	-63.5	170.7	0	0	0	112	G344 K429 R433 H436	I342-G344 VanDerWaalsContact C-N 3.35Å; I342-G344 PolarHBondContact O-N 2.8Å; I342-K429 VanDerWaalsContact O-CE 3.27Å; I342-K429 WeakPolarHBondContact O-CE 3.29Å; I342-R433 HydrophobicContact CG2-CB 3.97Å; I342-R433 HydrophobicContact CG2-CG 4.4Å; I342-H436 HydrophobicContact CD1-CB 3.64Å; I342-H436 VanDerWaalsContact CD1-CG 3.45Å
343	D	59.1	Low	61.6	Low	116 Å²	116	88 Å²	88	62%	0.62	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.7	179.2	-88.1	-34.9	0	0	0	117.1	H341 K429	H341-D343 PolarHBondContact O-N 3.14Å; D343-K429 VanDerWaalsContact CA-NZ 3.3Å; D343-K429 PolarHBondContact O-NZ 3.24Å; D343-K429 VanDerWaalsContact OD1-CE 3.31Å; D343-K429 WeakPolarHBondContact OD1-CE 3.18Å; D343-K429 IonicContact OD1-NZ 2.85Å; D343-K429 PolarHBondContact OD1-NZ 2.88Å
344	G	64.1	Low	64.7	Low	15 Å²	15	85.3 Å²	85.3	16%	0.155	47%	0.469	C	S	.	.	S	Bend	trans	-70.1	175	178.7	0	0	0	0	0	115.2	L316 H341 I342	L316-G344 WeakPolarHBondContact O-CA 3.31Å; H341-G344 PolarHBondContact O-N 3.24Å; I342-G344 VanDerWaalsContact C-N 3.35Å; I342-G344 PolarHBondContact O-N 2.8Å
345	L	74	Confident	67.9	Low	134 Å²	134	84.5 Å²	84.5	70%	0.702	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.3	177.1	-148.3	104.9	0	0	0	109.2	L316	L316-L345 WeakPolarHBondContact CB-O 3.5Å; L316-L345 PolarHBondContact N-O 3.07Å; L316-L345 PolarHBondContact O-N 3.43Å
346	M	82.8	Confident	71.2	Confident	27 Å²	27	77.7 Å²	77.7	13%	0.133	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	178.9	-76.2	-82.9	-73.4	0	0	110.5	C313 L348 P428 K429 K432	C313-M346 HydrophobicContact CB-CE 3.29Å; C313-M346 HydrophobicContact CB-SD 3.98Å; M346-L348 PolarHBondContact O-N 2.96Å; M346-P428 HydrophobicContact CE-CB 3.85Å; M346-K429 HydrophobicContact CG-CB 3.84Å; M346-K429 HydrophobicContact CG-CG 4.45Å; M346-K432 HydrophobicContact CE-CB 4.33Å; M346-K432 HydrophobicContact CE-CD 4.17Å; M346-K432 HydrophobicContact SD-CD 3.73Å
347	D	85.1	Confident	74.3	Confident	45 Å²	45	72 Å²	72	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	89.1	169.9	-179.9	11.6	0	0	0	110.2	R314 L316 Q349 S350	R314-D347 HydrophobicContact CB-CB 4.48Å; R314-D347 PolarHBondContact O-N 3.36Å; L316-D347 HydrophobicContact CD1-CB 4.07Å; L316-D347 HydrophobicContact CG-CB 4.14Å; D347-Q349 PolarHBondContact O-N 2.83Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.43Å; D347-Q349 PolarHBondContact OD1-N 2.84Å; D347-Q349 VanDerWaalsContact OD1-N 3.09Å; D347-S350 PolarHBondContact O-N 3.22Å; D347-S350 VanDerWaalsContact O-N 3.12Å; D347-S350 PolarHBondContact O-OG 2.81Å; D347-S350 WeakPolarHBondContact OD2-CB 2.99Å
348	L	84.9	Confident	77	Confident	49 Å²	49	66.5 Å²	66.5	26%	0.257	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.6	178.1	-75.7	167.4	0	0	0	113.4	Y310 M346 S350 W351 P428 Y504	Y310-L348 HydrophobicContact CD1-CD2 4.14Å; M346-L348 PolarHBondContact O-N 2.96Å; L348-S350 PolarHBondContact O-N 3.28Å; L348-W351 VanDerWaalsContact O-CB 3.25Å; L348-W351 WeakPolarHBondContact O-CB 3.27Å; L348-W351 PolarHBondContact O-N 3.46Å; L348-W351 VanDerWaalsContact O-N 3.17Å; L348-P428 HydrophobicContact CD2-CB 3.96Å; L348-P428 HydrophobicContact CD2-CG 3.96Å; L348-Y504 VanDerWaalsContact CD1-OH 3.27Å; L348-Y504 WeakPolarHBondContact CD1-OH 3.32Å
349	Q	85.9	Confident	79.8	Confident	188 Å²	188	60.4 Å²	60.4	88%	0.879	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.7	-23.5	176.8	-62	-171.9	-12.4	0	0	111.9	D347 W351	D347-Q349 PolarHBondContact O-N 2.83Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.43Å; D347-Q349 PolarHBondContact OD1-N 2.84Å; D347-Q349 VanDerWaalsContact OD1-N 3.09Å; Q349-W351 VanDerWaalsContact C-N 3.27Å
350	S	88.7	Confident	82.1	Confident	34 Å²	34	57.1 Å²	57.1	24%	0.238	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-81.4	-4.2	174	73.9	0	0	0	0	114	R314 D347 L348 N352	R314-S350 PolarHBondContact N-OG 3.5Å; D347-S350 PolarHBondContact O-N 3.22Å; D347-S350 VanDerWaalsContact O-N 3.12Å; D347-S350 PolarHBondContact O-OG 2.81Å; D347-S350 WeakPolarHBondContact OD2-CB 2.99Å; L348-S350 PolarHBondContact O-N 3.28Å; S350-N352 PolarHBondContact O-N 2.67Å
351	W	93.3	Very high	84.4	Confident	13 Å²	13	50.4 Å²	50.4	5%	0.049	26%	0.256	C	S	.	.			trans	-69.3	117.1	-176.5	-173	29.4	0	0	0	111.4	P309 Y310 C313 L348 Q349 I353 D356 H494 A497	P309-W351 HydrophobicContact CB-CZ2 4.03Å; Y310-W351 AromaticContact CD1-CD2 3.68Å; Y310-W351 HydrophobicContact CD1-CD2 3.68Å; Y310-W351 AromaticContact CD1-CE2 3.61Å; Y310-W351 AromaticContact CD1-CE3 3.79Å; Y310-W351 HydrophobicContact CD1-CE3 3.79Å; Y310-W351 HydrophobicContact CD1-CG 4.4Å; Y310-W351 AromaticContact CD1-CH2 3.76Å; Y310-W351 HydrophobicContact CD1-CH2 3.76Å; Y310-W351 AromaticContact CD1-CZ2 3.64Å; Y310-W351 HydrophobicContact CD1-CZ2 3.64Å; Y310-W351 AromaticContact CD1-CZ3 3.85Å; Y310-W351 HydrophobicContact CD1-CZ3 3.85Å; Y310-W351 HydrophobicContact CE1-CD2 4.13Å; Y310-W351 AromaticContact CE1-CE3 3.78Å; Y310-W351 HydrophobicContact CE1-CE3 3.78Å; Y310-W351 AromaticContact CE1-CH2 3.32Å; Y310-W351 HydrophobicContact CE1-CH2 3.32Å; Y310-W351 AromaticContact CE1-CZ2 3.69Å; Y310-W351 HydrophobicContact CE1-CZ2 3.69Å; Y310-W351 AromaticContact CE1-CZ3 3.39Å; Y310-W351 HydrophobicContact CE1-CZ3 3.39Å; Y310-W351 HydrophobicContact CG-CZ2 4.39Å; C313-W351 WeakPolarHBondContact SG-CB 3.27Å; C313-W351 VanDerWaalsContact SG-CD1 3.58Å; C313-W351 VanDerWaalsContact SG-CG 3.5Å; L348-W351 VanDerWaalsContact O-CB 3.25Å; L348-W351 WeakPolarHBondContact O-CB 3.27Å; L348-W351 PolarHBondContact O-N 3.46Å; L348-W351 VanDerWaalsContact O-N 3.17Å; Q349-W351 VanDerWaalsContact C-N 3.27Å; W351-I353 HydrophobicContact CH2-CD1 3.76Å; W351-I353 HydrophobicContact CH2-CG1 4.19Å; W351-I353 HydrophobicContact CZ2-CB 3.98Å; W351-I353 HydrophobicContact CZ2-CD1 3.65Å; W351-I353 HydrophobicContact CZ2-CG1 3.58Å; W351-D356 PolarHBondContact NE1-OD1 3.25Å; W351-D356 PolarHBondContact NE1-OD2 2.97Å; W351-H494 AromaticContact CE3-ND1 3.62Å; W351-H494 AromaticContact CZ3-ND1 3.51Å; W351-A497 HydrophobicContact CH2-CB 4.33Å; W351-A497 HydrophobicContact CZ3-CB 3.64Å
352	N	92.6	Very high	86.5	Confident	76 Å²	76	44 Å²	44	41%	0.406	23%	0.227	S	C	.	.			trans	-111.8	105.5	167.4	-177	-7.7	0	0	0	109.2	S312 S350 E354 E355 D356	S312-N352 PolarHBondContact OG-N 3.14Å; S312-N352 PolarHBondContact OG-O 3.05Å; S350-N352 PolarHBondContact O-N 2.67Å; N352-E354 PolarHBondContact O-N 2.72Å; N352-E354 PolarHBondContact OD1-N 3.45Å; N352-E354 VanDerWaalsContact OD1-N 3.15Å; N352-E355 HydrophobicContact CB-CB 4.07Å; N352-E355 HydrophobicContact CB-CG 4.17Å; N352-E355 VanDerWaalsContact ND2-CG 3.31Å; N352-E355 WeakPolarHBondContact ND2-CG 3.28Å; N352-E355 PolarHBondContact O-N 2.94Å; N352-D356 PolarHBondContact O-N 2.86Å
353	I	93.5	Very high	88.1	Confident	11 Å²	11	43 Å²	43	6%	0.056	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.2	-27.9	-174.6	-161.7	170.4	0	0	0	113.5	Y307 W351 E355 D356 L490 L493 H494	Y307-I353 WeakPolarHBondContact OH-CG1 2.82Å; W351-I353 HydrophobicContact CH2-CD1 3.76Å; W351-I353 HydrophobicContact CH2-CG1 4.19Å; W351-I353 HydrophobicContact CZ2-CB 3.98Å; W351-I353 HydrophobicContact CZ2-CD1 3.65Å; W351-I353 HydrophobicContact CZ2-CG1 3.58Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-D356 PolarHBondContact O-N 3.24Å; I353-L490 HydrophobicContact CD1-CB 3.95Å; I353-L490 HydrophobicContact CD1-CD2 3.98Å; I353-L490 WeakPolarHBondContact CD1-O 3.2Å; I353-L490 HydrophobicContact CG1-CB 4.38Å; I353-L490 HydrophobicContact CG1-CD2 4.12Å; I353-L490 HydrophobicContact CG2-CB 4.26Å; I353-L493 HydrophobicContact CD1-CB 4.16Å; I353-H494 HydrophobicContact CD1-CB 4.17Å
354	E	92.8	Very high	89.7	Confident	76 Å²	76	43 Å²	43	36%	0.355	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-78.3	-18.7	177.4	-61.7	-167.6	152	0	0	112.7	W282 S283 N352 H487	W282-E354 WeakPolarHBondContact CB-O 3.34Å; W282-E354 PolarHBondContact N-O 2.69Å; S283-E354 PolarHBondContact N-O 3.47Å; S283-E354 PolarHBondContact OG-O 2.9Å; N352-E354 PolarHBondContact O-N 2.72Å; N352-E354 PolarHBondContact OD1-N 3.45Å; N352-E354 VanDerWaalsContact OD1-N 3.15Å; E354-H487 IonicContact OE1-CE1 3.24Å; E354-H487 PolarHBondContact OE1-CE1 3.04Å; E354-H487 VanDerWaalsContact OE1-CE1 3.24Å; E354-H487 IonicContact OE1-ND1 3.04Å; E354-H487 PolarHBondContact OE1-ND1 3.3Å
355	E	95.1	Very high	90.8	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.294	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-95.7	-1.5	176.4	-66.6	-63.8	122.2	0	0	112.7	K281 S283 N352 I353	K281-E355 WeakPolarHBondContact CD-OE2 3.39Å; K281-E355 WeakPolarHBondContact CE-OE2 3.24Å; K281-E355 IonicContact NZ-OE2 2.72Å; K281-E355 PolarHBondContact NZ-OE2 2.85Å; S283-E355 WeakPolarHBondContact CB-OE1 3.29Å; S283-E355 PolarHBondContact OG-OE1 3Å; N352-E355 HydrophobicContact CB-CB 4.07Å; N352-E355 HydrophobicContact CB-CG 4.17Å; N352-E355 VanDerWaalsContact ND2-CG 3.31Å; N352-E355 WeakPolarHBondContact ND2-CG 3.28Å; N352-E355 PolarHBondContact O-N 2.94Å; I353-E355 VanDerWaalsContact C-N 3.31Å
356	D	96.3	Very high	91.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.			trans	-62.5	136.4	168.7	-81.1	-3.7	0	0	0	110.2	K281 W282 Y307 Y310 N311 S312 W351 N352 I353	K281-D356 WeakPolarHBondContact CA-O 3.26Å; W282-D356 PolarHBondContact N-O 3.34Å; W282-D356 VanDerWaalsContact N-O 3.11Å; Y307-D356 HydrophobicContact CE2-CB 3.68Å; Y307-D356 PolarHBondContact OH-OD2 3.49Å; Y307-D356 VanDerWaalsContact OH-OD2 3.04Å; Y310-D356 PolarHBondContact N-OD2 3.36Å; N311-D356 PolarHBondContact N-OD1 3.23Å; N311-D356 WeakPolarHBondContact OD1-CA 3.38Å; S312-D356 WeakPolarHBondContact CB-OD1 3.07Å; S312-D356 PolarHBondContact N-OD1 3.44Å; S312-D356 PolarHBondContact OG-OD1 2.85Å; W351-D356 PolarHBondContact NE1-OD1 3.25Å; W351-D356 PolarHBondContact NE1-OD2 2.97Å; N352-D356 PolarHBondContact O-N 2.86Å; I353-D356 PolarHBondContact O-N 3.24Å
357	E	96.6	Very high	90.6	Very high	45 Å²	45	42.7 Å²	42.7	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.5	169.6	-69.1	-177.4	149.6	0	0	111	Y280 K281 N311 H435 K439	Y280-E357 CarbonylContact O-C 3.49Å; Y280-E357 VanDerWaalsContact O-CA 3.22Å; Y280-E357 WeakPolarHBondContact O-CA 3.15Å; K281-E357 HydrophobicContact CG-CG 4.11Å; N311-E357 PolarHBondContact ND2-O 2.83Å; N311-E357 PolarHBondContact OD1-N 3.18Å; E357-H435 IonicContact OE2-CE1 3.58Å; E357-H435 PolarHBondContact OE2-CE1 3.25Å; E357-H435 VanDerWaalsContact OE2-CE1 3.27Å; E357-H435 IonicContact OE2-NE2 3.33Å; E357-K439 VanDerWaalsContact CD-NZ 3.3Å; E357-K439 IonicContact OE1-NZ 3.04Å; E357-K439 PolarHBondContact OE1-NZ 2.81Å; E357-K439 IonicContact OE2-NZ 2.71Å; E357-K439 PolarHBondContact OE2-NZ 3.24Å
358	L	95.8	Very high	89.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.7	173.7	65.1	85.1	0	0	0	109.7	F279 Y280 W282 L285 I305 Y307 L360	F279-L358 VanDerWaalsContact CA-O 3.32Å; F279-L358 WeakPolarHBondContact CA-O 3.3Å; Y280-L358 PolarHBondContact N-O 2.66Å; Y280-L358 WeakPolarHBondContact O-CG 3.35Å; Y280-L358 PolarHBondContact O-N 2.76Å; W282-L358 HydrophobicContact CD2-CD2 3.32Å; W282-L358 VanDerWaalsContact CE2-CD2 3.47Å; W282-L358 HydrophobicContact CE3-CD2 3.42Å; W282-L358 VanDerWaalsContact CE3-CD2 3.42Å; W282-L358 HydrophobicContact CG-CD2 3.89Å; W282-L358 HydrophobicContact CH2-CD2 3.87Å; W282-L358 HydrophobicContact CZ2-CD2 3.77Å; W282-L358 HydrophobicContact CZ3-CD2 3.69Å; L285-L358 HydrophobicContact CD2-CD1 3.83Å; L285-L358 HydrophobicContact CD2-CD2 3.67Å; L285-L358 HydrophobicContact CD2-CG 4.35Å; I305-L358 HydrophobicContact CG2-CB 4.34Å; I305-L358 HydrophobicContact CG2-CD1 3.72Å; I305-L358 HydrophobicContact CG2-CD2 4.1Å; I305-L358 HydrophobicContact CG2-CG 4.25Å; Y307-L358 HydrophobicContact CD2-CB 4.42Å; L358-L360 HydrophobicContact CD1-CB 4.39Å
359	L	94.8	Very high	87.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.2	174.3	170.4	64.2	0	0	0	109.8	Y277 F279 I306	Y277-L359 HydrophobicContact CD1-CD1 4.05Å; Y277-L359 HydrophobicContact CD1-CD2 4.21Å; Y277-L359 HydrophobicContact CG-CD1 4.48Å; F279-L359 HydrophobicContact CD1-CB 4.32Å; F279-L359 HydrophobicContact CD2-CD1 4.35Å; F279-L359 HydrophobicContact CE1-CB 3.97Å; F279-L359 HydrophobicContact CE1-CD1 4.28Å; F279-L359 HydrophobicContact CE2-CD1 3.93Å; F279-L359 HydrophobicContact CZ-CB 4.35Å; F279-L359 HydrophobicContact CZ-CD1 3.88Å; I306-L359 HydrophobicContact CB-CB 4.21Å; I306-L359 HydrophobicContact CD1-CD2 3.69Å; I306-L359 HydrophobicContact CD1-CG 4.02Å; I306-L359 PolarHBondContact N-O 3.16Å; I306-L359 PolarHBondContact O-N 2.96Å
360	L	95.1	Very high	85.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.3	167.1	-173.7	69.3	0	0	0	109.3	Q278 Y280 I292 L293 A296 I303 I305 L358 T362	Q278-L360 PolarHBondContact N-O 2.78Å; Q278-L360 PolarHBondContact O-N 3.17Å; Y280-L360 HydrophobicContact CD2-CB 3.91Å; Y280-L360 HydrophobicContact CD2-CD2 4.1Å; Y280-L360 HydrophobicContact CE2-CB 4.13Å; Y280-L360 HydrophobicContact CE2-CD2 3.76Å; I292-L360 HydrophobicContact CG2-CD2 4.38Å; L293-L360 HydrophobicContact CD1-CD1 4.44Å; A296-L360 HydrophobicContact CB-CD2 4.23Å; I303-L360 HydrophobicContact CG2-CD1 3.86Å; I305-L360 HydrophobicContact CG1-CD1 3.84Å; L358-L360 HydrophobicContact CD1-CB 4.39Å; L360-T362 HydrophobicContact CD2-CG2 4.28Å; L360-T362 HydrophobicContact CG-CG2 4.09Å
361	R	93.3	Very high	83.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.9	175.9	179.1	177.4	172.9	-92.4	-7.5	109.4	V275 N276 Y277 E304 I306 A455 S458	V275-R361 HydrophobicContact CG1-CG 4.05Å; N276-R361 WeakPolarHBondContact O-CA 3.48Å; Y277-R361 HydrophobicContact CD1-CB 4.39Å; Y277-R361 HydrophobicContact CD1-CG 4.18Å; Y277-R361 HydrophobicContact CE1-CG 3.91Å; E304-R361 HydrophobicContact CB-CB 4.29Å; E304-R361 PolarHBondContact N-O 3.5Å; E304-R361 PolarHBondContact O-N 2.86Å; E304-R361 WeakPolarHBondContact OE2-CD 3.38Å; E304-R361 IonicContact OE2-CZ 3.65Å; E304-R361 IonicContact OE2-NE 3.59Å; E304-R361 IonicContact OE2-NH1 3.34Å; E304-R361 PolarHBondContact OE2-NH1 3.37Å; I306-R361 HydrophobicContact CD1-CB 4.24Å; R361-A455 PolarHBondContact NH2-O 3.14Å; R361-S458 PolarHBondContact NH2-OG 3.25Å
362	T	94.3	Very high	81	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.8	178.8	62	0	0	0	0	110.9	V275 N276 A296 S302 L360	V275-T362 CarbonylContact C-O 3.49Å; V275-T362 WeakPolarHBondContact CA-O 3.19Å; N276-T362 PolarHBondContact N-O 2.88Å; N276-T362 PolarHBondContact O-N 3.31Å; A296-T362 HydrophobicContact CB-CG2 4.18Å; S302-T362 WeakPolarHBondContact O-CA 3.2Å; L360-T362 HydrophobicContact CD2-CG2 4.28Å; L360-T362 HydrophobicContact CG-CG2 4.09Å
363	T	92.5	Very high	78.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.1	175	76.9	0	0	0	0	112.3	T273 K274 V275 N300 Q301 S302 L456	T273-T363 HydrophobicContact CG2-CG2 4.19Å; K274-T363 CarbonylContact O-C 3.11Å; K274-T363 VanDerWaalsContact O-CA 3.31Å; K274-T363 WeakPolarHBondContact O-CA 3.48Å; V275-T363 HydrophobicContact CB-CG2 4.37Å; V275-T363 HydrophobicContact CG1-CG2 4.12Å; V275-T363 HydrophobicContact CG2-CG2 4Å; N300-T363 CarbonylContact C-O 3.6Å; N300-T363 WeakPolarHBondContact CA-O 3.45Å; N300-T363 VanDerWaalsContact CB-O 3.27Å; N300-T363 WeakPolarHBondContact CB-O 3.41Å; Q301-T363 WeakPolarHBondContact CG-O 3.48Å; Q301-T363 WeakPolarHBondContact CG-OG1 3.45Å; Q301-T363 PolarHBondContact N-O 3.46Å; Q301-T363 PolarHBondContact NE2-OG1 3.25Å; S302-T363 WeakPolarHBondContact CB-OG1 3.16Å; S302-T363 PolarHBondContact O-N 2.93Å; S302-T363 WeakPolarHBondContact OG-CB 3.37Å; S302-T363 VanDerWaalsContact OG-CG2 3.29Å; S302-T363 WeakPolarHBondContact OG-CG2 3.46Å; S302-T363 PolarHBondContact OG-OG1 3.02Å; T363-L456 HydrophobicContact CG2-CD2 4.31Å
364	K	91.4	Very high	76.3	Confident	117 Å²	117	52 Å²	52	51%	0.509	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.2	179.6	-170.9	172.5	-176.3	172.8	0	109.9	K274	K274-K364 PolarHBondContact N-O 2.94Å; K274-K364 PolarHBondContact O-N 3.48Å
365	R	88.1	Confident	74	Confident	62 Å²	62	51.7 Å²	51.7	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.1	172.3	-63.3	-166	-179.8	-174.4	-2.6	110	E185 N187 S216	E185-R365 IonicContact OE1-CZ 3.3Å; E185-R365 IonicContact OE1-NH1 2.77Å; E185-R365 PolarHBondContact OE1-NH1 3.45Å; E185-R365 IonicContact OE1-NH2 3.7Å; E185-R365 PolarHBondContact OE1-NH2 3.01Å; N187-R365 PolarHBondContact OD1-NH2 3.14Å; S216-R365 PolarHBondContact OG-NH1 3.29Å; S216-R365 PolarHBondContact OG-NH2 3.43Å
366	L	84.5	Confident	71.5	Confident	39 Å²	39	52.2 Å²	52.2	20%	0.204	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-77.8	137.8	169.7	-65.4	173.7	0	0	0	108.8	L272 K274 I449	L272-L366 HydrophobicContact CB-CB 4.48Å; L272-L366 HydrophobicContact CB-CD1 3.9Å; L272-L366 PolarHBondContact O-N 3.01Å; K274-L366 HydrophobicContact CB-CD2 4.21Å; L366-I449 HydrophobicContact CD1-CD1 4.2Å; L366-I449 HydrophobicContact CD1-CG1 4.44Å; L366-I449 HydrophobicContact CD1-CG2 3.8Å
367	S	67.4	Low	69	Low	67 Å²	67	55.9 Å²	55.9	47%	0.469	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-67.6	151.9	179.5	54	0	0	0	0	111.5	D369 I370 Y371	S367-D369 PolarHBondContact O-N 2.86Å; S367-D369 VanDerWaalsContact O-N 3.16Å; S367-I370 PolarHBondContact O-N 2.82Å; S367-Y371 PolarHBondContact O-N 2.87Å
368	Q	53.6	Low	66.2	Low	100 Å²	100	57.7 Å²	57.7	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-56.2	-32.6	-176.6	-150.2	72.3	20.5	0	0	113.1	I370 Y371 D372	Q368-I370 PolarHBondContact O-N 2.59Å; Q368-Y371 CarbonylContact O-C 3.57Å; Q368-Y371 WeakPolarHBondContact O-CA 3.48Å; Q368-Y371 VanDerWaalsContact O-CB 3.3Å; Q368-Y371 WeakPolarHBondContact O-CB 3.37Å; Q368-Y371 PolarHBondContact O-N 2.83Å; Q368-D372 PolarHBondContact O-N 3.3Å
369	D	44.9	Very low	63.6	Low	124 Å²	124	63.2 Å²	63.2	66%	0.663	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-29.1	179.3	-58.5	-35	0	0	0	113.3	S367 N373	S367-D369 PolarHBondContact O-N 2.86Å; S367-D369 VanDerWaalsContact O-N 3.16Å; D369-N373 PolarHBondContact O-ND2 3.44Å
370	I	50.6	Low	60.9	Low	76 Å²	76	72.4 Å²	72.4	39%	0.39	36%	0.36	S	S	.	.	H	α-helix	trans	-76.5	-40.3	172.7	-60.8	173.5	0	0	0	108.8	S367 Q368 N373 Y374	S367-I370 PolarHBondContact O-N 2.82Å; Q368-I370 PolarHBondContact O-N 2.59Å; I370-N373 PolarHBondContact O-N 3.1Å; I370-Y374 HydrophobicContact CG2-CD2 4.06Å; I370-Y374 HydrophobicContact CG2-CE2 4.05Å; I370-Y374 WeakPolarHBondContact O-CD2 3.31Å; I370-Y374 PolarHBondContact O-N 3.41Å
371	Y	44.5	Very low	58.2	Low	42 Å²	42	78.1 Å²	78.1	17%	0.165	39%	0.39	C	S	.	.	H	α-helix	trans	-64.5	-40.8	-179.2	-169.8	-100	0	0	0	113.7	L272 S367 Q368 Y374 I375	L272-Y371 HydrophobicContact CD1-CD2 4.08Å; L272-Y371 HydrophobicContact CD1-CE2 4.4Å; L272-Y371 HydrophobicContact CG-CD2 4.16Å; L272-Y371 HydrophobicContact CG-CE2 4.21Å; S367-Y371 PolarHBondContact O-N 2.87Å; Q368-Y371 CarbonylContact O-C 3.57Å; Q368-Y371 WeakPolarHBondContact O-CA 3.48Å; Q368-Y371 VanDerWaalsContact O-CB 3.3Å; Q368-Y371 WeakPolarHBondContact O-CB 3.37Å; Q368-Y371 PolarHBondContact O-N 2.83Å; Y371-Y374 WeakPolarHBondContact O-CB 3.26Å; Y371-Y374 PolarHBondContact O-N 3.07Å; Y371-Y374 VanDerWaalsContact O-N 3.09Å; Y371-I375 HydrophobicContact CD1-CD1 3.92Å; Y371-I375 HydrophobicContact CE1-CD1 3.29Å; Y371-I375 HydrophobicContact CE1-CG1 4.22Å; Y371-I375 PolarHBondContact O-N 3.38Å; Y371-I375 VanDerWaalsContact O-N 3.1Å
372	D	42.2	Very low	55.7	Low	85 Å²	85	85.6 Å²	85.6	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-70.8	-32.3	-179.9	-73.2	-14.1	0	0	0	112.4	Q368 Y374 T376	Q368-D372 PolarHBondContact O-N 3.3Å; D372-Y374 VanDerWaalsContact C-N 3.29Å; D372-T376 PolarHBondContact O-N 2.82Å; D372-T376 PolarHBondContact O-OG1 3.47Å
373	N	44.1	Very low	52.7	Low	116 Å²	116	88.7 Å²	88.7	62%	0.62	45%	0.452	S	S	*	.	H	α-helix	trans	-67.1	-28.7	169.2	-83.1	-24.4	0	0	0	112.3	D369 I370 T376 V377	D369-N373 PolarHBondContact O-ND2 3.44Å; I370-N373 PolarHBondContact O-N 3.1Å; N373-T376 PolarHBondContact O-OG1 3.18Å; N373-V377 VanDerWaalsContact O-CG2 3.29Å; N373-V377 WeakPolarHBondContact O-CG2 3.21Å
374	Y	44.4	Very low	49.9	Very low	69 Å²	69	97.3 Å²	97.3	27%	0.271	49%	0.492	S	S	.	.	H	α-helix	trans	-73	-46.9	175.5	-97.8	-82.6	0	0	0	112.5	I370 Y371 D372 T376 V377 D378 I396 Y398	I370-Y374 HydrophobicContact CG2-CD2 4.06Å; I370-Y374 HydrophobicContact CG2-CE2 4.05Å; I370-Y374 WeakPolarHBondContact O-CD2 3.31Å; I370-Y374 PolarHBondContact O-N 3.41Å; Y371-Y374 WeakPolarHBondContact O-CB 3.26Å; Y371-Y374 PolarHBondContact O-N 3.07Å; Y371-Y374 VanDerWaalsContact O-N 3.09Å; D372-Y374 VanDerWaalsContact C-N 3.29Å; Y374-T376 PolarHBondContact O-N 2.93Å; Y374-V377 PolarHBondContact O-N 3.12Å; Y374-D378 PolarHBondContact O-N 3.21Å; Y374-I396 HydrophobicContact CE1-CG2 4.21Å; Y374-Y398 AromaticContact CD1-CD2 3.73Å; Y374-Y398 HydrophobicContact CD1-CD2 3.73Å; Y374-Y398 HydrophobicContact CD1-CE2 4.06Å; Y374-Y398 AromaticContact CE1-CD2 3.12Å; Y374-Y398 HydrophobicContact CE1-CD2 3.12Å; Y374-Y398 AromaticContact CE1-CE2 3.17Å; Y374-Y398 HydrophobicContact CE1-CE2 3.17Å; Y374-Y398 HydrophobicContact CE1-CG 4.35Å; Y374-Y398 HydrophobicContact CE2-CE2 4.25Å; Y374-Y398 AromaticContact CZ-CD2 3.79Å; Y374-Y398 AromaticContact CZ-CE2 3.28Å; Y374-Y398 WeakPolarHBondContact OH-CE2 3.39Å
375	I	43.8	Very low	46.9	Very low	69 Å²	69	96.5 Å²	96.5	35%	0.354	50%	0.501	S	S	.	.	H	α-helix	trans	-68	-35.5	-178.9	-68	-178.9	0	0	0	112.4	Y371 V377 D378 I379	Y371-I375 HydrophobicContact CD1-CD1 3.92Å; Y371-I375 HydrophobicContact CE1-CD1 3.29Å; Y371-I375 HydrophobicContact CE1-CG1 4.22Å; Y371-I375 PolarHBondContact O-N 3.38Å; Y371-I375 VanDerWaalsContact O-N 3.1Å; I375-V377 PolarHBondContact O-N 2.81Å; I375-D378 PolarHBondContact O-N 2.87Å; I375-I379 HydrophobicContact CG2-CD1 3.74Å; I375-I379 HydrophobicContact CG2-CG1 4.36Å; I375-I379 WeakPolarHBondContact O-CG1 3.46Å; I375-I379 PolarHBondContact O-N 2.94Å
376	T	43.6	Very low	44.1	Very low	74 Å²	74	100.5 Å²	100.5	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-21.9	179.7	39.7	0	0	0	0	113.6	D372 N373 Y374 R380	D372-T376 PolarHBondContact O-N 2.82Å; D372-T376 PolarHBondContact O-OG1 3.47Å; N373-T376 PolarHBondContact O-OG1 3.18Å; Y374-T376 PolarHBondContact O-N 2.93Å; T376-R380 WeakPolarHBondContact O-CG 3.27Å; T376-R380 PolarHBondContact O-N 2.95Å
377	V	43.1	Very low	41.5	Very low	78 Å²	78	105.2 Å²	105.2	47%	0.473	55%	0.552	S	S	.	*	H	α-helix	trans	-79.6	-40.9	175.3	173.9	0	0	0	0	111.4	N373 Y374 I375 R380 N381	N373-V377 VanDerWaalsContact O-CG2 3.29Å; N373-V377 WeakPolarHBondContact O-CG2 3.21Å; Y374-V377 PolarHBondContact O-N 3.12Å; I375-V377 PolarHBondContact O-N 2.81Å; V377-R380 PolarHBondContact O-N 3.21Å; V377-N381 PolarHBondContact O-N 3.02Å; V377-N381 PolarHBondContact O-ND2 3.36Å
378	D	38	Very low	39.8	Very low	82 Å²	82	109.3 Å²	109.3	44%	0.439	57%	0.569	S	S	.	*	H	α-helix	trans	-71	-32.9	179.2	-78.1	-24.3	0	0	0	113.7	Y374 I375	Y374-D378 PolarHBondContact O-N 3.21Å; I375-D378 PolarHBondContact O-N 2.87Å
379	I	41.4	Very low	39	Very low	116 Å²	116	112.2 Å²	112.2	60%	0.595	59%	0.586	S	S	*	*	H	α-helix	trans	-71.4	-33	174.5	-62.9	174	0	0	0	111	I375 S383	I375-I379 HydrophobicContact CG2-CD1 3.74Å; I375-I379 HydrophobicContact CG2-CG1 4.36Å; I375-I379 WeakPolarHBondContact O-CG1 3.46Å; I375-I379 PolarHBondContact O-N 2.94Å; I379-S383 PolarHBondContact O-OG 3.12Å
380	R	36.9	Very low	38.2	Very low	196 Å²	196	113.5 Å²	113.5	74%	0.74	59%	0.593	S	S	*	*	H	α-helix	trans	-75.4	-34.9	176.9	-84	-177.8	178.5	168.2	2.6	113.2	T376 V377 N382 S383	T376-R380 WeakPolarHBondContact O-CG 3.27Å; T376-R380 PolarHBondContact O-N 2.95Å; V377-R380 PolarHBondContact O-N 3.21Å; R380-N382 VanDerWaalsContact C-N 3.29Å; R380-N382 PolarHBondContact O-N 3.04Å; R380-S383 PolarHBondContact O-N 3.28Å
381	N	40	Very low	37.5	Very low	121 Å²	121	117.2 Å²	117.2	65%	0.647	61%	0.614	S	S	*	*	H	α-helix	trans	-74.8	-17.7	-177.5	-73.5	-18.7	0	0	0	113.8	V377	V377-N381 PolarHBondContact O-N 3.02Å; V377-N381 PolarHBondContact O-ND2 3.36Å
382	N	40.3	Very low	36.7	Very low	158 Å²	158	122.8 Å²	122.8	85%	0.845	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	3.6	172.9	-86.1	-34.5	0	0	0	114.6	R380	R380-N382 VanDerWaalsContact C-N 3.29Å; R380-N382 PolarHBondContact O-N 3.04Å
383	S	31.6	Very low	36.2	Very low	71 Å²	71	125.1 Å²	125.1	50%	0.497	66%	0.659	S	S	.	*	S	Bend	trans	-140.8	95.5	177.3	46.7	0	0	0	0	112.8	I379 R380	I379-S383 PolarHBondContact O-OG 3.12Å; R380-S383 PolarHBondContact O-N 3.28Å
384	H	32.7	Very low	35.6	Very low	182 Å²	182	125.3 Å²	125.3	84%	0.843	67%	0.666	S	S	*	*			trans	72.3	109.9	163.7	-68	-45.7	0	0	0	120.3
385	S	30	Very low	34.9	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	68%	0.679	S	S	*	*			trans	27	130.9	130.9	63.5	0	0	0	0	121.5
386	N	28.3	Very low	34.5	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	68%	0.684	S	S	*	*			trans	77.7	106	148.3	-72.3	-5.2	0	0	0	119.9
387	N	29.5	Very low	33.8	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	69%	0.693	S	S	*	*				135.4	116.9	114.3	-79.9	-16.2	0	0	0	114.9
388	N	32.5	Very low	33.9	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	69%	0.685	S	S	*	*			trans	32.7	98.3	144.2	-70.1	-8.7	0	0	0	119.1
389	I	36	Very low	33.7	Very low	160 Å²	160	129.6 Å²	129.6	82%	0.821	70%	0.695	S	S	*	*			trans	-135.7	119.2	139.3	-62.2	-177.5	0	0	0	107.7	D391	I389-D391 PolarHBondContact O-N 3.28Å
390	N	29.6	Very low	33.7	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	70%	0.704	S	S	*	*			trans	-65.4	111.6	167.6	-76.2	-28.6	0	0	0	108.7
391	D	34.4	Very low	34.4	Very low	155 Å²	155	124.8 Å²	124.8	83%	0.829	69%	0.694	S	S	*	*			trans	-152.7	113.2	141	-93.9	-31.4	0	0	0	107.3	I389 D393	I389-D391 PolarHBondContact O-N 3.28Å; D391-D393 PolarHBondContact O-N 3.23Å
392	N	27.6	Very low	35.3	Very low	159 Å²	159	124 Å²	124	85%	0.85	70%	0.695	S	S	*	*			trans	-74.1	104.7	177.5	-74.8	-37.2	0	0	0	109
393	D	32.6	Very low	37	Very low	134 Å²	134	118 Å²	118	72%	0.717	66%	0.662	S	S	*	*			trans	-128.1	101.2	136.4	-156.8	-1.5	0	0	0	108.4	D391 S395	D391-D393 PolarHBondContact O-N 3.23Å; D393-S395 VanDerWaalsContact C-N 3.26Å; D393-S395 PolarHBondContact O-N 3.4Å
394	P	30.3	Very low	39.1	Very low	119 Å²	119	118.5 Å²	118.5	77%	0.773	66%	0.657	S	S	*	*			trans	-87.4	61.3	-170.7	37	-33.7	0	0	0	110.8
395	S	29.8	Very low	41.3	Very low	77 Å²	77	112.8 Å²	112.8	54%	0.538	63%	0.63	S	S	.	*			trans	177.5	111	161.8	54.3	0	0	0	0	104.8	D393	D393-S395 VanDerWaalsContact C-N 3.26Å; D393-S395 PolarHBondContact O-N 3.4Å
396	I	36.4	Very low	43.5	Very low	91 Å²	91	108.1 Å²	108.1	47%	0.467	60%	0.597	S	S	.	*				-168.2	107.7	94.5	-80.4	143.7	0	0	0	105.3	Y374 Y398	Y374-I396 HydrophobicContact CE1-CG2 4.21Å; I396-Y398 HydrophobicContact CG2-CD1 3.54Å; I396-Y398 HydrophobicContact CG2-CD2 3.5Å; I396-Y398 VanDerWaalsContact CG2-CD2 3.5Å; I396-Y398 HydrophobicContact CG2-CE1 3.4Å; I396-Y398 VanDerWaalsContact CG2-CE1 3.4Å; I396-Y398 HydrophobicContact CG2-CE2 3.38Å; I396-Y398 HydrophobicContact CG2-CG 3.55Å
397	C	28.8	Very low	45.9	Very low	95 Å²	95	105.6 Å²	105.6	64%	0.642	58%	0.577	S	S	*	*			trans	-88.5	110.1	155.6	-167.8	0	0	0	0	103.9	D399	C397-D399 PolarHBondContact O-N 2.99Å
398	Y	45.7	Very low	48	Very low	75 Å²	75	99.2 Å²	99.2	29%	0.294	54%	0.543	S	S	.	.			trans	-81.2	58.1	167.8	-68.9	-58.2	0	0	0	108.8	Y374 I396	Y374-Y398 AromaticContact CD1-CD2 3.73Å; Y374-Y398 HydrophobicContact CD1-CD2 3.73Å; Y374-Y398 HydrophobicContact CD1-CE2 4.06Å; Y374-Y398 AromaticContact CE1-CD2 3.12Å; Y374-Y398 HydrophobicContact CE1-CD2 3.12Å; Y374-Y398 AromaticContact CE1-CE2 3.17Å; Y374-Y398 HydrophobicContact CE1-CE2 3.17Å; Y374-Y398 HydrophobicContact CE1-CG 4.35Å; Y374-Y398 HydrophobicContact CE2-CE2 4.25Å; Y374-Y398 AromaticContact CZ-CD2 3.79Å; Y374-Y398 AromaticContact CZ-CE2 3.28Å; Y374-Y398 WeakPolarHBondContact OH-CE2 3.39Å; I396-Y398 HydrophobicContact CG2-CD1 3.54Å; I396-Y398 HydrophobicContact CG2-CD2 3.5Å; I396-Y398 VanDerWaalsContact CG2-CD2 3.5Å; I396-Y398 HydrophobicContact CG2-CE1 3.4Å; I396-Y398 VanDerWaalsContact CG2-CE1 3.4Å; I396-Y398 HydrophobicContact CG2-CE2 3.38Å; I396-Y398 HydrophobicContact CG2-CG 3.55Å
399	D	33.9	Very low	50	Low	124 Å²	124	93.2 Å²	93.2	66%	0.663	51%	0.511	S	S	*	.	S	Bend	trans	-55.2	148.5	145.9	-107.4	-27.4	0	0	0	107.1	C397 D401	C397-D399 PolarHBondContact O-N 2.99Å; D399-D401 VanDerWaalsContact C-N 3.3Å; D399-D401 PolarHBondContact O-N 2.9Å
400	S	40.2	Very low	51.6	Low	110 Å²	110	86.8 Å²	86.8	77%	0.769	48%	0.478	S	S	*	.			trans	-49.2	84.8	-174	58.9	0	0	0	0	113.7
401	D	51.2	Low	53.1	Low	102 Å²	102	86.2 Å²	86.2	55%	0.545	47%	0.471	S	S	.	.			trans	-63.9	129.2	164.5	-92.8	-24	0	0	0	106.2	D399 Q403	D399-D401 VanDerWaalsContact C-N 3.3Å; D399-D401 PolarHBondContact O-N 2.9Å; D401-Q403 PolarHBondContact O-N 2.79Å
402	P	60.3	Low	54.5	Low	103 Å²	103	84.2 Å²	84.2	67%	0.669	46%	0.464	S	S	*	.			trans	-57.7	141.3	-179.9	23.4	-32	0	0	0	108.9	Q404	P402-Q404 WeakPolarHBondContact O-CG 3.33Å; P402-Q404 PolarHBondContact O-N 3.04Å
403	Q	74.8	Confident	56.4	Low	32 Å²	32	83.7 Å²	83.7	15%	0.15	45%	0.454	C	S	.	.			trans	-43.1	118.8	172.8	178	176.5	14.1	0	0	109.5	D401 F405 W454	D401-Q403 PolarHBondContact O-N 2.79Å; Q403-F405 HydrophobicContact CB-CE2 4.1Å; Q403-F405 HydrophobicContact CB-CZ 4.37Å; Q403-F405 HydrophobicContact CG-CD2 4.35Å; Q403-F405 HydrophobicContact CG-CE1 4.15Å; Q403-F405 HydrophobicContact CG-CE2 3.85Å; Q403-F405 HydrophobicContact CG-CZ 3.75Å; Q403-F405 WeakPolarHBondContact O-CD2 3.48Å; Q403-F405 PolarHBondContact O-N 2.78Å; Q403-W454 HydrophobicContact CB-CD2 3.98Å; Q403-W454 HydrophobicContact CB-CE3 4.14Å; Q403-W454 HydrophobicContact CB-CG 4.24Å; Q403-W454 HydrophobicContact CG-CB 4Å; Q403-W454 HydrophobicContact CG-CD2 4.17Å; Q403-W454 HydrophobicContact CG-CG 3.88Å
404	Q	76.1	Confident	58.3	Low	82 Å²	82	77.8 Å²	77.8	38%	0.383	43%	0.425	S	S	.	.			trans	-87.8	117.8	-177.3	-65.6	-166.7	5.5	0	0	109.1	P402 I448 Q450 S458	P402-Q404 WeakPolarHBondContact O-CG 3.33Å; P402-Q404 PolarHBondContact O-N 3.04Å; Q404-I448 HydrophobicContact CB-CG2 4.47Å; Q404-I448 HydrophobicContact CG-CG2 4.49Å; Q404-Q450 PolarHBondContact O-NE2 3Å; Q404-S458 WeakPolarHBondContact O-CB 3.5Å
405	F	78.3	Confident	60.7	Low	63 Å²	63	72.1 Å²	72.1	28%	0.276	39%	0.388	S	S	.	.			trans	-96.8	144.6	178.1	-66.8	-81.5	0	0	0	112.5	Q403 Y407 S458	Q403-F405 HydrophobicContact CB-CE2 4.1Å; Q403-F405 HydrophobicContact CB-CZ 4.37Å; Q403-F405 HydrophobicContact CG-CD2 4.35Å; Q403-F405 HydrophobicContact CG-CE1 4.15Å; Q403-F405 HydrophobicContact CG-CE2 3.85Å; Q403-F405 HydrophobicContact CG-CZ 3.75Å; Q403-F405 WeakPolarHBondContact O-CD2 3.48Å; Q403-F405 PolarHBondContact O-N 2.78Å; F405-Y407 HydrophobicContact CB-CD2 4.09Å; F405-Y407 HydrophobicContact CB-CE1 4.43Å; F405-Y407 HydrophobicContact CB-CE2 3.42Å; F405-Y407 VanDerWaalsContact CB-CE2 3.42Å; F405-Y407 HydrophobicContact CG-CE2 4.43Å; F405-S458 CarbonylContact C-O 3.58Å; F405-S458 WeakPolarHBondContact CA-O 3.38Å
406	V	77.3	Confident	63.2	Low	1 Å²	1	69.8 Å²	69.8	1%	0.006	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-96	108	170.9	-176.4	0	0	0	0	107.5	Y277 Y442 S458 F459 G460	Y277-V406 HydrophobicContact CE1-CG2 3.78Å; Y277-V406 WeakPolarHBondContact OH-CG2 3.38Å; V406-Y442 WeakPolarHBondContact CA-OH 3.41Å; V406-Y442 HydrophobicContact CG1-CE2 4.15Å; V406-S458 PolarHBondContact N-O 2.95Å; V406-F459 HydrophobicContact CB-CD1 4.47Å; V406-F459 HydrophobicContact CB-CE1 4.36Å; V406-F459 HydrophobicContact CG1-CE1 4.05Å; V406-F459 HydrophobicContact CG1-CZ 4.11Å; V406-F459 WeakPolarHBondContact O-CD1 3.29Å; V406-G460 PolarHBondContact O-N 2.63Å
407	Y	77.7	Confident	65.5	Low	92 Å²	92	66 Å²	66	36%	0.361	35%	0.353	S	S	.	.			trans	-100.6	121.8	176	-63.2	-85.2	0	0	0	108.6	F405 L409 G460	F405-Y407 HydrophobicContact CB-CD2 4.09Å; F405-Y407 HydrophobicContact CB-CE1 4.43Å; F405-Y407 HydrophobicContact CB-CE2 3.42Å; F405-Y407 VanDerWaalsContact CB-CE2 3.42Å; F405-Y407 HydrophobicContact CG-CE2 4.43Å; Y407-L409 VanDerWaalsContact C-N 3.35Å; Y407-G460 VanDerWaalsContact CE1-CA 3.49Å
408	L	75.2	Confident	68.2	Low	5 Å²	5	65 Å²	65	3%	0.026	34%	0.339	C	S	.	.	S	Bend	trans	-69	-38.9	172.4	-61.2	-174.8	0	0	0	111.2	I306 L438 F459 F462	I306-L408 HydrophobicContact CG2-CD1 4.43Å; I306-L408 HydrophobicContact CG2-CD2 3.54Å; L408-L438 HydrophobicContact CD2-CD1 4.06Å; L408-F459 HydrophobicContact CD1-CE1 4.36Å; L408-F459 HydrophobicContact CD2-CE1 3.79Å; L408-F459 HydrophobicContact CD2-CZ 4.31Å; L408-F459 HydrophobicContact CG-CE1 3.89Å; L408-F462 HydrophobicContact CB-CE1 4.15Å; L408-F462 HydrophobicContact CD1-CE1 3.76Å; L408-F462 HydrophobicContact CD1-CZ 3.63Å; L408-F462 HydrophobicContact CG-CE1 4.1Å; L408-F462 HydrophobicContact CG-CZ 4.05Å
409	L	73.9	Confident	70.2	Confident	27 Å²	27	64.1 Å²	64.1	14%	0.141	34%	0.338	C	S	.	.	S	Bend	trans	-113.4	107.9	176.7	-60.1	-177.5	0	0	0	108	Y407 P415 L420 A434 L508 L550	Y407-L409 VanDerWaalsContact C-N 3.35Å; L409-P415 WeakPolarHBondContact CB-O 3.38Å; L409-P415 HydrophobicContact CD2-CB 4.28Å; L409-P415 HydrophobicContact CD2-CG 3.74Å; L409-L420 HydrophobicContact CD1-CD1 3.57Å; L409-L420 HydrophobicContact CD2-CD1 3.96Å; L409-L420 HydrophobicContact CG-CD1 4.42Å; L409-A434 HydrophobicContact CD2-CB 4.34Å; L409-L508 HydrophobicContact CD1-CD2 3.59Å; L409-L508 HydrophobicContact CD2-CD2 4.25Å; L409-L508 HydrophobicContact CG-CD2 3.81Å; L409-L550 HydrophobicContact CD1-CD1 3.48Å; L409-L550 VanDerWaalsContact CD1-CD1 3.48Å
410	D	69.1	Low	72.8	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.134	31%	0.307	C	S	.	.			trans	-96.2	129.6	176.6	-174.9	-68.8	0	0	0	109.2	V412 F413 G414 Y437	D410-V412 VanDerWaalsContact C-N 3.26Å; D410-V412 PolarHBondContact O-N 3.01Å; D410-V412 WeakPolarHBondContact OD1-CA 3.35Å; D410-V412 WeakPolarHBondContact OD1-CB 3.26Å; D410-V412 PolarHBondContact OD1-N 3.01Å; D410-F413 PolarHBondContact OD1-N 2.95Å; D410-G414 CarbonylContact O-C 3.59Å; D410-G414 WeakPolarHBondContact O-CA 3.48Å; D410-G414 PolarHBondContact O-N 2.87Å; D410-G414 VanDerWaalsContact O-O 3.04Å; D410-Y437 HydrophobicContact CB-CD1 4.13Å; D410-Y437 HydrophobicContact CB-CD2 4.45Å; D410-Y437 HydrophobicContact CB-CE1 3.61Å; D410-Y437 HydrophobicContact CB-CE2 3.95Å; D410-Y437 VanDerWaalsContact CB-CZ 3.5Å; D410-Y437 VanDerWaalsContact OD2-CZ 3.24Å; D410-Y437 PolarHBondContact OD2-OH 3.19Å
411	Q	60.7	Low	75.1	Confident	140 Å²	140	55.8 Å²	55.8	65%	0.654	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.8	-177	-69	-179.3	2.4	0	0	113.9	K463	Q411-K463 VanDerWaalsContact NE2-CE 3.27Å
412	V	64.9	Low	76.8	Confident	113 Å²	113	58.1 Å²	58.1	69%	0.685	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-45	-176	-175.1	0	0	0	0	110.3	D410	D410-V412 VanDerWaalsContact C-N 3.26Å; D410-V412 PolarHBondContact O-N 3.01Å; D410-V412 WeakPolarHBondContact OD1-CA 3.35Å; D410-V412 WeakPolarHBondContact OD1-CB 3.26Å; D410-V412 PolarHBondContact OD1-N 3.01Å
413	F	67.3	Low	78.2	Confident	148 Å²	148	57.6 Å²	57.6	65%	0.649	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-19.4	-172.5	-59	-72.2	0	0	0	114	D410 Y437	D410-F413 PolarHBondContact OD1-N 2.95Å; F413-Y437 HydrophobicContact CB-CD2 3.47Å; F413-Y437 VanDerWaalsContact CB-CD2 3.47Å; F413-Y437 HydrophobicContact CB-CE2 3.66Å; F413-Y437 HydrophobicContact CD2-CE2 4.05Å; F413-Y437 HydrophobicContact CG-CD2 4.39Å; F413-Y437 HydrophobicContact CG-CE2 4.24Å
414	G	72.2	Confident	78.9	Confident	9 Å²	9	58.4 Å²	58.4	9%	0.093	29%	0.288	C	S	.	.	S	Bend	trans	-99.1	-173.8	178.4	0	0	0	0	0	112.3	D410	D410-G414 CarbonylContact O-C 3.59Å; D410-G414 WeakPolarHBondContact O-CA 3.48Å; D410-G414 PolarHBondContact O-N 2.87Å; D410-G414 VanDerWaalsContact O-O 3.04Å
415	P	80.1	Confident	79.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.302	C	S	.	.			trans	-72.3	142.7	170.4	7.3	6.6	0	0	0	111.8	L409 L430 R433 A434	L409-P415 WeakPolarHBondContact CB-O 3.38Å; L409-P415 HydrophobicContact CD2-CB 4.28Å; L409-P415 HydrophobicContact CD2-CG 3.74Å; P415-L430 HydrophobicContact CB-CB 4.06Å; P415-L430 HydrophobicContact CB-CD2 3.98Å; P415-L430 HydrophobicContact CG-CB 4.19Å; P415-L430 VanDerWaalsContact CG-O 3.24Å; P415-L430 WeakPolarHBondContact CG-O 3.34Å; P415-R433 VanDerWaalsContact CA-NH2 3.29Å; P415-A434 HydrophobicContact CG-CB 3.81Å
416	S	83.9	Confident	80	Confident	28 Å²	28	61 Å²	61	20%	0.196	31%	0.308	C	S	.	.			trans	-71.6	151.4	166.3	68.5	0	0	0	0	110.7	E418 E419	S416-E418 PolarHBondContact O-N 3.25Å; S416-E419 WeakPolarHBondContact CB-OE1 3.38Å; S416-E419 PolarHBondContact N-OE1 3.09Å; S416-E419 PolarHBondContact O-N 3.05Å; S416-E419 VanDerWaalsContact OG-CG 3.26Å; S416-E419 WeakPolarHBondContact OG-CG 3.39Å; S416-E419 PolarHBondContact OG-N 2.97Å; S416-E419 PolarHBondContact OG-OE1 3.17Å
417	S	83.6	Confident	80.7	Confident	11 Å²	11	61 Å²	61	8%	0.077	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-34.5	173.4	36.4	0	0	0	0	112.3	L420 I421 K463	S417-L420 PolarHBondContact O-N 2.83Å; S417-I421 WeakPolarHBondContact O-CG1 3.32Å; S417-I421 PolarHBondContact O-N 3.03Å; S417-K463 WeakPolarHBondContact OG-CD 3.41Å
418	E	86.6	Confident	81.4	Confident	76 Å²	76	56.8 Å²	56.8	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-38.8	-177.8	-65.5	79.9	176.6	0	0	111	S416 L420 I421 E422 K463	S416-E418 PolarHBondContact O-N 3.25Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.2Å; E418-I421 PolarHBondContact O-N 2.88Å; E418-I421 VanDerWaalsContact O-N 3.11Å; E418-E422 WeakPolarHBondContact O-CB 3.43Å; E418-E422 WeakPolarHBondContact O-CG 3.36Å; E418-E422 PolarHBondContact O-N 3.19Å; E418-K463 IonicContact OE1-NZ 2.86Å; E418-K463 PolarHBondContact OE1-NZ 3.26Å; E418-K463 IonicContact OE2-NZ 2.64Å
419	E	87.5	Confident	82.2	Confident	55 Å²	55	58.8 Å²	58.8	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-41.4	174.7	-79.9	164.2	-93.8	0	0	112.7	S416 I421 Q423 L430 R433	S416-E419 WeakPolarHBondContact CB-OE1 3.38Å; S416-E419 PolarHBondContact N-OE1 3.09Å; S416-E419 PolarHBondContact O-N 3.05Å; S416-E419 VanDerWaalsContact OG-CG 3.26Å; S416-E419 WeakPolarHBondContact OG-CG 3.39Å; S416-E419 PolarHBondContact OG-N 2.97Å; S416-E419 PolarHBondContact OG-OE1 3.17Å; E419-I421 PolarHBondContact O-N 2.86Å; E419-Q423 WeakPolarHBondContact O-CA 3.25Å; E419-Q423 WeakPolarHBondContact O-CB 3.35Å; E419-Q423 PolarHBondContact O-N 3.03Å; E419-L430 HydrophobicContact CB-CD1 3.91Å; E419-L430 HydrophobicContact CB-CD2 4.21Å; E419-L430 VanDerWaalsContact OE2-CD2 3.27Å; E419-L430 WeakPolarHBondContact OE2-CD2 3.47Å; E419-R433 IonicContact OE1-NH2 2.69Å; E419-R433 IonicContact OE2-CZ 2.65Å; E419-R433 IonicContact OE2-NH1 3.83Å; E419-R433 IonicContact OE2-NH2 3.6Å; E419-R433 PolarHBondContact OE2-NH2 3.36Å
420	L	88	Confident	83	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-25.4	179.6	-67.4	165.5	0	0	0	112.7	L409 S417 E418 T427 L430 N507 L550	L409-L420 HydrophobicContact CD1-CD1 3.57Å; L409-L420 HydrophobicContact CD2-CD1 3.96Å; L409-L420 HydrophobicContact CG-CD1 4.42Å; S417-L420 PolarHBondContact O-N 2.83Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.2Å; L420-T427 HydrophobicContact CD2-CG2 4.22Å; L420-L430 HydrophobicContact CD2-CB 3.77Å; L420-L430 HydrophobicContact CD2-CD1 3.57Å; L420-L430 HydrophobicContact CD2-CG 4.32Å; L420-L430 HydrophobicContact CG-CD1 4.05Å; L420-N507 HydrophobicContact CD2-CB 4.13Å; L420-L550 HydrophobicContact CD1-CD1 3.82Å
421	I	87.8	Confident	84	Confident	58 Å²	58	56.5 Å²	56.5	30%	0.297	29%	0.288	S	S	.	.	H	α-helix	trans	-86.3	-45.4	-179.9	-64.1	166.9	0	0	0	110.5	S417 E418 E419 L550 T551	S417-I421 WeakPolarHBondContact O-CG1 3.32Å; S417-I421 PolarHBondContact O-N 3.03Å; E418-I421 PolarHBondContact O-N 2.88Å; E418-I421 VanDerWaalsContact O-N 3.11Å; E419-I421 PolarHBondContact O-N 2.86Å; I421-L550 HydrophobicContact CG1-CB 4.17Å; I421-T551 VanDerWaalsContact CD1-O 3.27Å; I421-T551 WeakPolarHBondContact CD1-O 3.38Å
422	E	88.5	Confident	85.5	Confident	150 Å²	150	51.2 Å²	51.2	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-82.3	-27.1	-173.9	-66.3	-179.2	178.9	0	0	112.9	E418	E418-E422 WeakPolarHBondContact O-CB 3.43Å; E418-E422 WeakPolarHBondContact O-CG 3.36Å; E418-E422 PolarHBondContact O-N 3.19Å
423	Q	89.4	Confident	86.7	Confident	93 Å²	93	48.5 Å²	48.5	44%	0.435	24%	0.24	S	C	.	.			trans	-130.1	64.6	-177	-58.4	-179	-4.2	0	0	111.1	E419 D425 N426	E419-Q423 WeakPolarHBondContact O-CA 3.25Å; E419-Q423 WeakPolarHBondContact O-CB 3.35Å; E419-Q423 PolarHBondContact O-N 3.03Å; Q423-D425 PolarHBondContact O-N 3.25Å; Q423-D425 VanDerWaalsContact O-N 3.14Å; Q423-N426 HydrophobicContact CB-CB 4.21Å; Q423-N426 WeakPolarHBondContact O-CB 3.3Å; Q423-N426 PolarHBondContact O-N 3.44Å; Q423-N426 PolarHBondContact OE1-ND2 2.97Å
424	P	88.4	Confident	87.7	Confident	48 Å²	48	41.5 Å²	41.5	31%	0.312	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.4	-31.9	-175.3	23.8	-34.2	0	0	0	113	N426 T427 Y504	P424-N426 PolarHBondContact O-N 2.91Å; P424-T427 WeakPolarHBondContact O-CB 3.32Å; P424-T427 PolarHBondContact O-N 3.48Å; P424-T427 PolarHBondContact O-OG1 3.16Å; P424-Y504 WeakPolarHBondContact O-CD2 3.44Å
425	D	88.5	Confident	88.7	Confident	128 Å²	128	41.7 Å²	41.7	68%	0.684	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-64.7	-24.1	178.1	-59.7	-23	0	0	0	112.9	Q423 T427	Q423-D425 PolarHBondContact O-N 3.25Å; Q423-D425 VanDerWaalsContact O-N 3.14Å; D425-T427 VanDerWaalsContact C-N 3.3Å
426	N	90.3	Very high	89.2	Confident	72 Å²	72	44.2 Å²	44.2	39%	0.385	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-83.8	-3	176.7	-73.7	-20.2	0	0	0	113.1	Q423 P424 P428 K429 L430	Q423-N426 HydrophobicContact CB-CB 4.21Å; Q423-N426 WeakPolarHBondContact O-CB 3.3Å; Q423-N426 PolarHBondContact O-N 3.44Å; Q423-N426 PolarHBondContact OE1-ND2 2.97Å; P424-N426 PolarHBondContact O-N 2.91Å; N426-P428 VanDerWaalsContact C-CD 3.45Å; N426-P428 VanDerWaalsContact C-N 3.33Å; N426-K429 WeakPolarHBondContact O-CB 3.41Å; N426-K429 PolarHBondContact O-N 3.32Å; N426-L430 HydrophobicContact CB-CD1 4.19Å; N426-L430 HydrophobicContact CB-CG 4.33Å; N426-L430 WeakPolarHBondContact O-CG 3.4Å; N426-L430 PolarHBondContact O-N 3.32Å
427	T	92.1	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-48.7	-44.6	-176.7	-63.6	0	0	0	0	113.8	L420 P424 D425 K429 L430 L431 N507	L420-T427 HydrophobicContact CD2-CG2 4.22Å; P424-T427 WeakPolarHBondContact O-CB 3.32Å; P424-T427 PolarHBondContact O-N 3.48Å; P424-T427 PolarHBondContact O-OG1 3.16Å; D425-T427 VanDerWaalsContact C-N 3.3Å; T427-K429 VanDerWaalsContact C-N 3.34Å; T427-K429 PolarHBondContact O-N 3.24Å; T427-L430 PolarHBondContact O-N 3.08Å; T427-L431 HydrophobicContact CG2-CD1 3.8Å; T427-L431 HydrophobicContact CG2-CG 4.04Å; T427-L431 WeakPolarHBondContact O-CB 3.34Å; T427-L431 PolarHBondContact O-N 3Å; T427-N507 HydrophobicContact CG2-CB 3.52Å
428	P	92.3	Very high	89.8	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-45.4	178.3	-27.1	36.7	0	0	0	113.5	Y310 M346 L348 N426 K432 Y504	Y310-P428 HydrophobicContact CD1-CB 4.06Å; Y310-P428 HydrophobicContact CD1-CG 4.31Å; Y310-P428 VanDerWaalsContact CD2-CA 3.5Å; Y310-P428 HydrophobicContact CD2-CB 3.91Å; Y310-P428 HydrophobicContact CD2-CG 4.25Å; Y310-P428 HydrophobicContact CE1-CG 4.38Å; Y310-P428 HydrophobicContact CE2-CB 4.47Å; Y310-P428 HydrophobicContact CE2-CG 4.32Å; Y310-P428 HydrophobicContact CG-CB 3.69Å; Y310-P428 HydrophobicContact CG-CG 4.26Å; M346-P428 HydrophobicContact CE-CB 3.85Å; L348-P428 HydrophobicContact CD2-CB 3.96Å; L348-P428 HydrophobicContact CD2-CG 3.96Å; N426-P428 VanDerWaalsContact C-CD 3.45Å; N426-P428 VanDerWaalsContact C-N 3.33Å; P428-K432 WeakPolarHBondContact O-CB 3.2Å; P428-K432 PolarHBondContact O-N 3.39Å; P428-Y504 HydrophobicContact CG-CD1 4.09Å; P428-Y504 HydrophobicContact CG-CE1 3.83Å; P428-Y504 HydrophobicContact CG-CE2 4.37Å; P428-Y504 HydrophobicContact CG-CG 4.48Å
429	K	90.6	Very high	90	Very high	47 Å²	47	43.5 Å²	43.5	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-44.7	177.3	-179.1	-177.7	169.5	178.4	0	111	I342 D343 M346 N426 T427 K432 R433	I342-K429 VanDerWaalsContact O-CE 3.27Å; I342-K429 WeakPolarHBondContact O-CE 3.29Å; D343-K429 VanDerWaalsContact CA-NZ 3.3Å; D343-K429 PolarHBondContact O-NZ 3.24Å; D343-K429 VanDerWaalsContact OD1-CE 3.31Å; D343-K429 WeakPolarHBondContact OD1-CE 3.18Å; D343-K429 IonicContact OD1-NZ 2.85Å; D343-K429 PolarHBondContact OD1-NZ 2.88Å; M346-K429 HydrophobicContact CG-CB 3.84Å; M346-K429 HydrophobicContact CG-CG 4.45Å; N426-K429 WeakPolarHBondContact O-CB 3.41Å; N426-K429 PolarHBondContact O-N 3.32Å; T427-K429 VanDerWaalsContact C-N 3.34Å; T427-K429 PolarHBondContact O-N 3.24Å; K429-K432 PolarHBondContact O-N 2.64Å; K429-R433 PolarHBondContact O-N 3.03Å
430	L	90.7	Very high	90.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-44.6	-179.1	-62.4	171.2	0	0	0	111.1	P415 E419 L420 N426 T427 R433 A434	P415-L430 HydrophobicContact CB-CB 4.06Å; P415-L430 HydrophobicContact CB-CD2 3.98Å; P415-L430 HydrophobicContact CG-CB 4.19Å; P415-L430 VanDerWaalsContact CG-O 3.24Å; P415-L430 WeakPolarHBondContact CG-O 3.34Å; E419-L430 HydrophobicContact CB-CD1 3.91Å; E419-L430 HydrophobicContact CB-CD2 4.21Å; E419-L430 VanDerWaalsContact OE2-CD2 3.27Å; E419-L430 WeakPolarHBondContact OE2-CD2 3.47Å; L420-L430 HydrophobicContact CD2-CB 3.77Å; L420-L430 HydrophobicContact CD2-CD1 3.57Å; L420-L430 HydrophobicContact CD2-CG 4.32Å; L420-L430 HydrophobicContact CG-CD1 4.05Å; N426-L430 HydrophobicContact CB-CD1 4.19Å; N426-L430 HydrophobicContact CB-CG 4.33Å; N426-L430 WeakPolarHBondContact O-CG 3.4Å; N426-L430 PolarHBondContact O-N 3.32Å; T427-L430 PolarHBondContact O-N 3.08Å; L430-R433 WeakPolarHBondContact O-CB 3.14Å; L430-R433 PolarHBondContact O-N 2.83Å; L430-A434 PolarHBondContact O-N 3.24Å
431	L	91.6	Very high	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-38	178.5	-73.7	-175.8	0	0	0	113.1	L308 P309 Y310 T427 R433 A434 H435 N507	L308-L431 HydrophobicContact CD2-CD2 4.23Å; P309-L431 WeakPolarHBondContact O-CB 3.15Å; Y310-L431 HydrophobicContact CD2-CB 4.31Å; Y310-L431 HydrophobicContact CD2-CD1 3.97Å; Y310-L431 HydrophobicContact CE2-CD1 3.94Å; T427-L431 HydrophobicContact CG2-CD1 3.8Å; T427-L431 HydrophobicContact CG2-CG 4.04Å; T427-L431 WeakPolarHBondContact O-CB 3.34Å; T427-L431 PolarHBondContact O-N 3Å; L431-R433 VanDerWaalsContact C-N 3.32Å; L431-R433 PolarHBondContact O-N 2.87Å; L431-A434 PolarHBondContact O-N 2.9Å; L431-H435 WeakPolarHBondContact O-CB 3.35Å; L431-H435 PolarHBondContact O-N 2.8Å; L431-N507 VanDerWaalsContact CD2-O 3.29Å; L431-N507 WeakPolarHBondContact CD2-O 3.45Å
432	K	91.3	Very high	90.1	Very high	28 Å²	28	45.4 Å²	45.4	12%	0.122	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-42.7	171.2	-176.7	172.6	-178.4	-175.3	0	111.6	C313 T315 M346 P428 K429 H435 H436	C313-K432 PolarHBondContact O-NZ 3.05Å; T315-K432 PolarHBondContact OG1-NZ 3.28Å; M346-K432 HydrophobicContact CE-CB 4.33Å; M346-K432 HydrophobicContact CE-CD 4.17Å; M346-K432 HydrophobicContact SD-CD 3.73Å; P428-K432 WeakPolarHBondContact O-CB 3.2Å; P428-K432 PolarHBondContact O-N 3.39Å; K429-K432 PolarHBondContact O-N 2.64Å; K432-H435 PolarHBondContact O-N 2.86Å; K432-H436 PolarHBondContact O-N 2.7Å
433	R	89.3	Confident	90	Very high	57 Å²	57	41.4 Å²	41.4	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.3	-170.8	173.3	67.8	-167.6	-1.3	112.2	I342 P415 E419 K429 L430 L431 H436 Y437	I342-R433 HydrophobicContact CG2-CB 3.97Å; I342-R433 HydrophobicContact CG2-CG 4.4Å; P415-R433 VanDerWaalsContact CA-NH2 3.29Å; E419-R433 IonicContact OE1-NH2 2.69Å; E419-R433 IonicContact OE2-CZ 2.65Å; E419-R433 IonicContact OE2-NH1 3.83Å; E419-R433 IonicContact OE2-NH2 3.6Å; E419-R433 PolarHBondContact OE2-NH2 3.36Å; K429-R433 PolarHBondContact O-N 3.03Å; L430-R433 WeakPolarHBondContact O-CB 3.14Å; L430-R433 PolarHBondContact O-N 2.83Å; L431-R433 VanDerWaalsContact C-N 3.32Å; L431-R433 PolarHBondContact O-N 2.87Å; R433-H436 PolarHBondContact O-N 3.39Å; R433-Y437 PolarHBondContact O-N 2.82Å
434	A	90.3	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-44.7	175.7	0	0	0	0	0	111.8	L308 L409 P415 L430 L431 Y437 L438	L308-A434 HydrophobicContact CD1-CB 3.83Å; L409-A434 HydrophobicContact CD2-CB 4.34Å; P415-A434 HydrophobicContact CG-CB 3.81Å; L430-A434 PolarHBondContact O-N 3.24Å; L431-A434 PolarHBondContact O-N 2.9Å; A434-Y437 PolarHBondContact O-N 2.9Å; A434-L438 WeakPolarHBondContact O-CG 3.48Å; A434-L438 PolarHBondContact O-N 2.93Å; A434-L438 VanDerWaalsContact O-N 3.12Å
435	H	92.3	Very high	89.7	Confident	13 Å²	13	47.2 Å²	47.2	6%	0.06	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-48.3	174.9	176.2	-92.8	0	0	0	111.9	F279 L308 N311 E357 L431 K432 Y437 L438 K439	F279-H435 AromaticContact CD1-NE2 3.57Å; F279-H435 AromaticContact CE1-NE2 3.76Å; L308-H435 HydrophobicContact CB-CB 4.4Å; L308-H435 HydrophobicContact CD1-CB 4.36Å; N311-H435 HydrophobicContact CB-CB 4Å; E357-H435 IonicContact OE2-CE1 3.58Å; E357-H435 PolarHBondContact OE2-CE1 3.25Å; E357-H435 VanDerWaalsContact OE2-CE1 3.27Å; E357-H435 IonicContact OE2-NE2 3.33Å; L431-H435 WeakPolarHBondContact O-CB 3.35Å; L431-H435 PolarHBondContact O-N 2.8Å; K432-H435 PolarHBondContact O-N 2.86Å; H435-Y437 VanDerWaalsContact C-N 3.33Å; H435-Y437 PolarHBondContact O-N 2.88Å; H435-L438 WeakPolarHBondContact O-CB 3.19Å; H435-L438 PolarHBondContact O-N 2.87Å; H435-L438 VanDerWaalsContact O-N 3.14Å; H435-K439 PolarHBondContact O-N 2.78Å
436	H	90.5	Very high	89.6	Confident	53 Å²	53	43.8 Å²	43.8	25%	0.245	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-44	177.8	-178.8	86.2	0	0	0	112	D339 I342 K432 R433 L438 K439 C440	D339-H436 IonicContact OD2-CE1 2.81Å; D339-H436 IonicContact OD2-ND1 2.64Å; I342-H436 HydrophobicContact CD1-CB 3.64Å; I342-H436 VanDerWaalsContact CD1-CG 3.45Å; K432-H436 PolarHBondContact O-N 2.7Å; R433-H436 PolarHBondContact O-N 3.39Å; H436-L438 VanDerWaalsContact C-N 3.34Å; H436-L438 PolarHBondContact O-N 2.91Å; H436-K439 WeakPolarHBondContact O-CB 3.28Å; H436-K439 PolarHBondContact O-N 3.37Å; H436-K439 VanDerWaalsContact O-N 3.13Å; H436-C440 PolarHBondContact NE2-SG 3.17Å; H436-C440 VanDerWaalsContact NE2-SG 3.36Å; H436-C440 PolarHBondContact O-N 3.01Å; H436-C440 PolarHBondContact O-SG 2.79Å; H436-C440 VanDerWaalsContact O-SG 3.42Å
437	Y	90	Very high	89.5	Confident	27 Å²	27	42.9 Å²	42.9	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-47	174.2	164.4	-98.4	0	0	0	112.3	D410 F413 R433 A434 H435 K439 C440 K441	D410-Y437 HydrophobicContact CB-CD1 4.13Å; D410-Y437 HydrophobicContact CB-CD2 4.45Å; D410-Y437 HydrophobicContact CB-CE1 3.61Å; D410-Y437 HydrophobicContact CB-CE2 3.95Å; D410-Y437 VanDerWaalsContact CB-CZ 3.5Å; D410-Y437 VanDerWaalsContact OD2-CZ 3.24Å; D410-Y437 PolarHBondContact OD2-OH 3.19Å; F413-Y437 HydrophobicContact CB-CD2 3.47Å; F413-Y437 VanDerWaalsContact CB-CD2 3.47Å; F413-Y437 HydrophobicContact CB-CE2 3.66Å; F413-Y437 HydrophobicContact CD2-CE2 4.05Å; F413-Y437 HydrophobicContact CG-CD2 4.39Å; F413-Y437 HydrophobicContact CG-CE2 4.24Å; R433-Y437 PolarHBondContact O-N 2.82Å; A434-Y437 PolarHBondContact O-N 2.9Å; H435-Y437 VanDerWaalsContact C-N 3.33Å; H435-Y437 PolarHBondContact O-N 2.88Å; Y437-K439 VanDerWaalsContact C-N 3.28Å; Y437-K439 PolarHBondContact O-N 2.59Å; Y437-C440 PolarHBondContact O-N 2.83Å; Y437-K441 HydrophobicContact CE1-CD 4.1Å; Y437-K441 WeakPolarHBondContact O-CB 3.45Å; Y437-K441 PolarHBondContact O-N 3.45Å; Y437-K441 WeakPolarHBondContact OH-CD 3.29Å; Y437-K441 PolarHBondContact OH-NZ 3.5Å; Y437-K441 VanDerWaalsContact OH-NZ 3.13Å
438	L	89.7	Confident	89.2	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-41	177.8	-66.6	173.9	0	0	0	111.2	F279 L308 L408 A434 H435 H436 K441 Y442	F279-L438 HydrophobicContact CE1-CB 4.36Å; F279-L438 HydrophobicContact CZ-CB 4.05Å; L308-L438 HydrophobicContact CD1-CD1 3.79Å; L408-L438 HydrophobicContact CD2-CD1 4.06Å; A434-L438 WeakPolarHBondContact O-CG 3.48Å; A434-L438 PolarHBondContact O-N 2.93Å; A434-L438 VanDerWaalsContact O-N 3.12Å; H435-L438 WeakPolarHBondContact O-CB 3.19Å; H435-L438 PolarHBondContact O-N 2.87Å; H435-L438 VanDerWaalsContact O-N 3.14Å; H436-L438 VanDerWaalsContact C-N 3.34Å; H436-L438 PolarHBondContact O-N 2.91Å; L438-K441 PolarHBondContact O-N 3.37Å; L438-Y442 HydrophobicContact CB-CD2 4.43Å; L438-Y442 HydrophobicContact CD2-CD2 4.31Å; L438-Y442 HydrophobicContact CD2-CE2 3.81Å; L438-Y442 VanDerWaalsContact O-CD2 3.25Å; L438-Y442 WeakPolarHBondContact O-CD2 3.39Å; L438-Y442 PolarHBondContact O-N 3.41Å
439	K	91.2	Very high	89	Confident	72 Å²	72	46.3 Å²	46.3	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-50.1	177.8	-159.5	172.6	-174.3	164.7	0	111.2	F279 E357 H435 H436 Y437 K441 Y442 C443	F279-K439 HydrophobicContact CD2-CG 4.49Å; F279-K439 HydrophobicContact CE1-CB 4.32Å; F279-K439 HydrophobicContact CE2-CB 4.48Å; F279-K439 HydrophobicContact CE2-CG 4.44Å; F279-K439 HydrophobicContact CZ-CB 4.16Å; E357-K439 VanDerWaalsContact CD-NZ 3.3Å; E357-K439 IonicContact OE1-NZ 3.04Å; E357-K439 PolarHBondContact OE1-NZ 2.81Å; E357-K439 IonicContact OE2-NZ 2.71Å; E357-K439 PolarHBondContact OE2-NZ 3.24Å; H435-K439 PolarHBondContact O-N 2.78Å; H436-K439 WeakPolarHBondContact O-CB 3.28Å; H436-K439 PolarHBondContact O-N 3.37Å; H436-K439 VanDerWaalsContact O-N 3.13Å; Y437-K439 VanDerWaalsContact C-N 3.28Å; Y437-K439 PolarHBondContact O-N 2.59Å; K439-K441 PolarHBondContact O-N 2.86Å; K439-Y442 PolarHBondContact O-N 3.3Å; K439-C443 WeakPolarHBondContact CG-SG 3.27Å; K439-C443 WeakPolarHBondContact O-CB 3.49Å; K439-C443 PolarHBondContact O-N 3.36Å; K439-C443 PolarHBondContact O-SG 3.46Å
440	C	89.9	Confident	88.9	Confident	72 Å²	72	44.8 Å²	44.8	49%	0.486	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-34.3	176.4	-67.6	0	0	0	0	113	H436 Y437 P444	H436-C440 PolarHBondContact NE2-SG 3.17Å; H436-C440 VanDerWaalsContact NE2-SG 3.36Å; H436-C440 PolarHBondContact O-N 3.01Å; H436-C440 PolarHBondContact O-SG 2.79Å; H436-C440 VanDerWaalsContact O-SG 3.42Å; Y437-C440 PolarHBondContact O-N 2.83Å; C440-P444 WeakPolarHBondContact O-CD 3.29Å; C440-P444 VanDerWaalsContact O-CG 3.28Å; C440-P444 WeakPolarHBondContact O-CG 3.44Å
441	K	86.7	Confident	88.8	Confident	76 Å²	76	48.4 Å²	48.4	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-74.9	-44.8	179.8	-174.4	171.2	-175.1	175.8	0	112.9	Y437 L438 K439	Y437-K441 HydrophobicContact CE1-CD 4.1Å; Y437-K441 WeakPolarHBondContact O-CB 3.45Å; Y437-K441 PolarHBondContact O-N 3.45Å; Y437-K441 WeakPolarHBondContact OH-CD 3.29Å; Y437-K441 PolarHBondContact OH-NZ 3.5Å; Y437-K441 VanDerWaalsContact OH-NZ 3.13Å; L438-K441 PolarHBondContact O-N 3.37Å; K439-K441 PolarHBondContact O-N 2.86Å
442	Y	87.8	Confident	88.7	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-104	-24.5	-167.2	-63.9	-63.2	0	0	0	114.5	Y277 V406 L438 K439 K445 P446 I448	Y277-Y442 HydrophobicContact CD1-CD1 4.16Å; Y277-Y442 HydrophobicContact CD1-CD2 4.41Å; Y277-Y442 HydrophobicContact CD1-CE1 4.44Å; Y277-Y442 HydrophobicContact CD1-CG 4.16Å; Y277-Y442 AromaticContact CD2-CD1 3.77Å; Y277-Y442 HydrophobicContact CD2-CD1 3.77Å; Y277-Y442 HydrophobicContact CD2-CE1 4.29Å; Y277-Y442 HydrophobicContact CD2-CG 4.33Å; Y277-Y442 HydrophobicContact CE1-CD1 4.34Å; Y277-Y442 HydrophobicContact CE1-CE1 4.17Å; Y277-Y442 AromaticContact CE2-CD1 4Å; Y277-Y442 HydrophobicContact CE2-CD1 4Å; Y277-Y442 HydrophobicContact CE2-CE1 4.05Å; Y277-Y442 AromaticContact CG-CD1 3.87Å; Y277-Y442 HydrophobicContact CG-CD1 3.87Å; Y277-Y442 HydrophobicContact CG-CE1 4.49Å; Y277-Y442 AromaticContact CG-CG 3.97Å; Y277-Y442 HydrophobicContact CG-CG 3.97Å; Y277-Y442 AromaticContact CZ-CE1 3.98Å; V406-Y442 WeakPolarHBondContact CA-OH 3.41Å; V406-Y442 HydrophobicContact CG1-CE2 4.15Å; L438-Y442 HydrophobicContact CB-CD2 4.43Å; L438-Y442 HydrophobicContact CD2-CD2 4.31Å; L438-Y442 HydrophobicContact CD2-CE2 3.81Å; L438-Y442 VanDerWaalsContact O-CD2 3.25Å; L438-Y442 WeakPolarHBondContact O-CD2 3.39Å; L438-Y442 PolarHBondContact O-N 3.41Å; K439-Y442 PolarHBondContact O-N 3.3Å; Y442-K445 CarbonylContact O-C 3.3Å; Y442-K445 PolarHBondContact O-N 2.98Å; Y442-P446 WeakPolarHBondContact O-CA 3.01Å; Y442-I448 HydrophobicContact CE1-CD1 4.15Å
443	C	87.9	Confident	88.6	Confident	66 Å²	66	47.1 Å²	47.1	45%	0.446	24%	0.241	S	C	.	.	S	Bend	trans	-61.8	-41.3	174.8	-72.8	0	0	0	0	113.5	K439 K445	K439-C443 WeakPolarHBondContact CG-SG 3.27Å; K439-C443 WeakPolarHBondContact O-CB 3.49Å; K439-C443 PolarHBondContact O-N 3.36Å; K439-C443 PolarHBondContact O-SG 3.46Å; C443-K445 PolarHBondContact O-N 3.42Å
444	P	87.2	Confident	88.5	Confident	98 Å²	98	46.4 Å²	46.4	64%	0.636	24%	0.238	S	C	*	.	S	Bend	trans	-69.4	-31.8	179.3	-21.7	34.4	0	0	0	113.6	C440	C440-P444 WeakPolarHBondContact O-CD 3.29Å; C440-P444 VanDerWaalsContact O-CG 3.28Å; C440-P444 WeakPolarHBondContact O-CG 3.44Å
445	K	84.2	Confident	88.4	Confident	165 Å²	165	46.4 Å²	46.4	72%	0.717	24%	0.238	S	C	*	.	S	Bend	trans	-134.9	79.3	179	-68.9	-173.7	-179.7	-177.8	0	109.1	Y442 C443 T447	Y442-K445 CarbonylContact O-C 3.3Å; Y442-K445 PolarHBondContact O-N 2.98Å; C443-K445 PolarHBondContact O-N 3.42Å; K445-T447 PolarHBondContact O-N 3.09Å
446	P	85.6	Confident	88.2	Confident	55 Å²	55	45.9 Å²	45.9	36%	0.357	24%	0.236	S	C	.	.			trans	-75.9	5	-171.1	32.2	-37.3	0	0	0	113.1	N276 Y277 Y442	N276-P446 CarbonylContact C-O 3.55Å; N276-P446 VanDerWaalsContact CA-O 3.24Å; N276-P446 WeakPolarHBondContact CA-O 3.45Å; Y277-P446 PolarHBondContact N-O 3.43Å; Y277-P446 WeakPolarHBondContact O-CB 3.36Å; Y442-P446 WeakPolarHBondContact O-CA 3.01Å
447	T	87.9	Confident	87.7	Confident	54 Å²	54	44.3 Å²	44.3	33%	0.331	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.1	-173.4	-62.5	0	0	0	0	111.1	K274 V275 N276 K445	K274-T447 HydrophobicContact CD-CG2 4Å; K274-T447 HydrophobicContact CG-CG2 3.55Å; V275-T447 VanDerWaalsContact O-CA 3.25Å; V275-T447 WeakPolarHBondContact O-CA 3.43Å; N276-T447 PolarHBondContact OD1-OG1 3.32Å; N276-T447 VanDerWaalsContact OD1-OG1 3.1Å; K445-T447 PolarHBondContact O-N 3.09Å
448	I	87.4	Confident	86.9	Confident	23 Å²	23	43 Å²	43	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.1	171.4	-56.2	165.2	0	0	0	108	V275 Y277 Q404 Y442 Q450	V275-I448 PolarHBondContact N-O 3.3Å; V275-I448 PolarHBondContact O-N 3.07Å; Y277-I448 HydrophobicContact CE2-CD1 3.74Å; Y277-I448 HydrophobicContact CE2-CG1 4.19Å; Q404-I448 HydrophobicContact CB-CG2 4.47Å; Q404-I448 HydrophobicContact CG-CG2 4.49Å; Y442-I448 HydrophobicContact CE1-CD1 4.15Å; I448-Q450 HydrophobicContact CG2-CG 3.87Å
449	I	88.1	Confident	86.1	Confident	53 Å²	53	44 Å²	44	27%	0.272	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.5	171.5	-63.6	169.4	0	0	0	108.2	L272 T273 K274 L366	L272-I449 HydrophobicContact CB-CG2 4.46Å; T273-I449 WeakPolarHBondContact O-CA 3.35Å; K274-I449 HydrophobicContact CB-CG1 4.39Å; K274-I449 HydrophobicContact CG-CG1 4.32Å; L366-I449 HydrophobicContact CD1-CD1 4.2Å; L366-I449 HydrophobicContact CD1-CG1 4.44Å; L366-I449 HydrophobicContact CD1-CG2 3.8Å
450	Q	88.3	Confident	85.1	Confident	14 Å²	14	40.8 Å²	40.8	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	165.9	176.8	-61.9	-175.6	73	0	0	110	T273 Q404 I448 T452 W454 A455	T273-Q450 PolarHBondContact N-O 3.24Å; T273-Q450 PolarHBondContact O-N 3.3Å; Q404-Q450 PolarHBondContact O-NE2 3Å; I448-Q450 HydrophobicContact CG2-CG 3.87Å; Q450-T452 PolarHBondContact O-N 3.06Å; Q450-W454 HydrophobicContact CB-CB 4.34Å; Q450-A455 HydrophobicContact CB-CB 4.15Å
451	Y	88.2	Confident	84.1	Confident	82 Å²	82	43.7 Å²	43.7	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	135.4	163.4	-72.4	-64.2	0	0	0	110.6	I180 I270 L272 P453 W454 A455	I180-Y451 HydrophobicContact CD1-CD2 4.21Å; I180-Y451 HydrophobicContact CD1-CG 3.93Å; I270-Y451 HydrophobicContact CD1-CD1 3.61Å; I270-Y451 HydrophobicContact CD1-CE1 4.32Å; I270-Y451 HydrophobicContact CD1-CG 4.01Å; I270-Y451 HydrophobicContact CG1-CD1 4.04Å; L272-Y451 HydrophobicContact CD2-CD1 3.69Å; L272-Y451 HydrophobicContact CD2-CE1 3.91Å; L272-Y451 HydrophobicContact CD2-CG 4.24Å; Y451-P453 VanDerWaalsContact C-CD 3.46Å; Y451-P453 VanDerWaalsContact C-N 3.34Å; Y451-W454 AromaticContact CD2-CE3 3.99Å; Y451-W454 HydrophobicContact CD2-CE3 3.99Å; Y451-W454 HydrophobicContact CD2-CH2 4.5Å; Y451-W454 AromaticContact CD2-CZ3 3.94Å; Y451-W454 HydrophobicContact CD2-CZ3 3.94Å; Y451-W454 CarbonylContact O-C 3.22Å; Y451-W454 WeakPolarHBondContact O-CA 3.34Å; Y451-W454 WeakPolarHBondContact O-CB 3.47Å; Y451-W454 PolarHBondContact O-N 3.3Å; Y451-A455 PolarHBondContact O-N 3.16Å
452	T	89.9	Confident	83.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-51.4	-42.5	-174.4	-62.9	0	0	0	0	114.2	E185 Y189 T271 T273 Q450 W454 A455 L456	E185-T452 VanDerWaalsContact OE2-CB 3.24Å; E185-T452 WeakPolarHBondContact OE2-CB 3.49Å; Y189-T452 HydrophobicContact CE2-CG2 4.25Å; T271-T452 VanDerWaalsContact C-OG1 3.26Å; T271-T452 WeakPolarHBondContact O-CB 3.49Å; T271-T452 PolarHBondContact O-N 2.99Å; T271-T452 PolarHBondContact O-OG1 3.43Å; T271-T452 WeakPolarHBondContact OG1-CB 3.31Å; T271-T452 PolarHBondContact OG1-OG1 3.09Å; T273-T452 WeakPolarHBondContact OG1-CB 3.49Å; T273-T452 PolarHBondContact OG1-OG1 3.4Å; Q450-T452 PolarHBondContact O-N 3.06Å; T452-W454 VanDerWaalsContact C-N 3.32Å; T452-W454 PolarHBondContact O-N 3.14Å; T452-A455 PolarHBondContact O-N 2.86Å; T452-L456 HydrophobicContact CG2-CD1 3.56Å; T452-L456 HydrophobicContact CG2-CG 4.29Å; T452-L456 WeakPolarHBondContact O-CG 3.22Å; T452-L456 PolarHBondContact O-N 3.41Å
453	P	88.5	Confident	82.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-41.4	175	-23.3	31.8	0	0	0	113.8	I176 Q179 I180 E185 Y189 I270 Y451 N457	I176-P453 HydrophobicContact CG2-CB 4.11Å; Q179-P453 HydrophobicContact CB-CG 4.22Å; I180-P453 HydrophobicContact CD1-CB 4.08Å; I180-P453 HydrophobicContact CD1-CG 3.87Å; E185-P453 HydrophobicContact CB-CG 4.25Å; Y189-P453 HydrophobicContact CE1-CB 3.88Å; Y189-P453 HydrophobicContact CE1-CG 4.3Å; Y189-P453 WeakPolarHBondContact OH-CG 3.48Å; I270-P453 HydrophobicContact CD1-CG 4.18Å; I270-P453 HydrophobicContact CG1-CG 4.43Å; Y451-P453 VanDerWaalsContact C-CD 3.46Å; Y451-P453 VanDerWaalsContact C-N 3.34Å; P453-N457 WeakPolarHBondContact O-CB 3.28Å; P453-N457 PolarHBondContact O-N 3.44Å; P453-N457 PolarHBondContact O-ND2 3.37Å
454	W	87.9	Confident	81.2	Confident	42 Å²	42	49.9 Å²	49.9	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-71.8	-43.3	176.4	-73.8	-8.9	0	0	0	112.2	I180 Q403 Q450 Y451 T452 L456 N457 S458	I180-W454 HydrophobicContact CD1-CD2 4.37Å; I180-W454 HydrophobicContact CD1-CG 4.38Å; I180-W454 HydrophobicContact CG1-CD2 4.45Å; I180-W454 HydrophobicContact CG1-CZ2 4.11Å; I180-W454 HydrophobicContact CG2-CZ2 4.19Å; Q403-W454 HydrophobicContact CB-CD2 3.98Å; Q403-W454 HydrophobicContact CB-CE3 4.14Å; Q403-W454 HydrophobicContact CB-CG 4.24Å; Q403-W454 HydrophobicContact CG-CB 4Å; Q403-W454 HydrophobicContact CG-CD2 4.17Å; Q403-W454 HydrophobicContact CG-CG 3.88Å; Q450-W454 HydrophobicContact CB-CB 4.34Å; Y451-W454 AromaticContact CD2-CE3 3.99Å; Y451-W454 HydrophobicContact CD2-CE3 3.99Å; Y451-W454 HydrophobicContact CD2-CH2 4.5Å; Y451-W454 AromaticContact CD2-CZ3 3.94Å; Y451-W454 HydrophobicContact CD2-CZ3 3.94Å; Y451-W454 CarbonylContact O-C 3.22Å; Y451-W454 WeakPolarHBondContact O-CA 3.34Å; Y451-W454 WeakPolarHBondContact O-CB 3.47Å; Y451-W454 PolarHBondContact O-N 3.3Å; T452-W454 VanDerWaalsContact C-N 3.32Å; T452-W454 PolarHBondContact O-N 3.14Å; W454-L456 VanDerWaalsContact C-N 3.34Å; W454-L456 PolarHBondContact O-N 2.9Å; W454-N457 CarbonylContact O-C 3.36Å; W454-N457 VanDerWaalsContact O-C 3.31Å; W454-N457 PolarHBondContact O-N 3.26Å; W454-S458 WeakPolarHBondContact O-CA 3.49Å; W454-S458 WeakPolarHBondContact O-CB 3.37Å; W454-S458 PolarHBondContact O-N 3.04Å
455	A	87.8	Confident	80.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-49.6	177.7	0	0	0	0	0	110	T273 V275 R361 Q450 Y451 T452 N457 S458	T273-A455 HydrophobicContact CG2-CB 3.59Å; V275-A455 HydrophobicContact CG2-CB 3.74Å; R361-A455 PolarHBondContact NH2-O 3.14Å; Q450-A455 HydrophobicContact CB-CB 4.15Å; Y451-A455 PolarHBondContact O-N 3.16Å; T452-A455 PolarHBondContact O-N 2.86Å; A455-N457 PolarHBondContact O-N 3.37Å; A455-S458 WeakPolarHBondContact O-CB 3.46Å; A455-S458 PolarHBondContact O-N 3.29Å; A455-S458 PolarHBondContact O-OG 3.46Å
456	L	87	Confident	80.3	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-73.4	-29.5	-175.5	-64.3	166.3	0	0	0	113	Y189 I210 I211 S302 T363 T452 W454	Y189-L456 HydrophobicContact CD2-CB 4.37Å; Y189-L456 HydrophobicContact CD2-CD1 3.2Å; Y189-L456 HydrophobicContact CD2-CG 4.41Å; Y189-L456 HydrophobicContact CE2-CD1 3.24Å; Y189-L456 HydrophobicContact CG-CB 4.27Å; Y189-L456 HydrophobicContact CG-CD1 3.92Å; I210-L456 HydrophobicContact CG2-CD2 4.37Å; I211-L456 HydrophobicContact CD1-CD1 3.57Å; I211-L456 HydrophobicContact CD1-CD2 3.7Å; I211-L456 HydrophobicContact CD1-CG 4.3Å; I211-L456 HydrophobicContact CG1-CD1 4.32Å; S302-L456 WeakPolarHBondContact OG-CD2 3.5Å; T363-L456 HydrophobicContact CG2-CD2 4.31Å; T452-L456 HydrophobicContact CG2-CD1 3.56Å; T452-L456 HydrophobicContact CG2-CG 4.29Å; T452-L456 WeakPolarHBondContact O-CG 3.22Å; T452-L456 PolarHBondContact O-N 3.41Å; W454-L456 VanDerWaalsContact C-N 3.34Å; W454-L456 PolarHBondContact O-N 2.9Å
457	N	80.9	Confident	80.4	Confident	20 Å²	20	36.9 Å²	36.9	11%	0.107	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	35.6	176.4	-62	-80	0	0	0	112.3	I176 Y189 P453 W454 A455 F459	I176-N457 HydrophobicContact CD1-CB 3.72Å; Y189-N457 WeakPolarHBondContact CD1-ND2 3.15Å; P453-N457 WeakPolarHBondContact O-CB 3.28Å; P453-N457 PolarHBondContact O-N 3.44Å; P453-N457 PolarHBondContact O-ND2 3.37Å; W454-N457 CarbonylContact O-C 3.36Å; W454-N457 VanDerWaalsContact O-C 3.31Å; W454-N457 PolarHBondContact O-N 3.26Å; A455-N457 PolarHBondContact O-N 3.37Å; N457-F459 PolarHBondContact O-N 3.21Å
458	S	72.8	Confident	80.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.			trans	-80.6	8.5	-177.4	77.1	0	0	0	0	113	R361 Q404 F405 V406 W454 A455	R361-S458 PolarHBondContact NH2-OG 3.25Å; Q404-S458 WeakPolarHBondContact O-CB 3.5Å; F405-S458 CarbonylContact C-O 3.58Å; F405-S458 WeakPolarHBondContact CA-O 3.38Å; V406-S458 PolarHBondContact N-O 2.95Å; W454-S458 WeakPolarHBondContact O-CA 3.49Å; W454-S458 WeakPolarHBondContact O-CB 3.37Å; W454-S458 PolarHBondContact O-N 3.04Å; A455-S458 WeakPolarHBondContact O-CB 3.46Å; A455-S458 PolarHBondContact O-N 3.29Å; A455-S458 PolarHBondContact O-OG 3.46Å
459	F	73.6	Confident	80.7	Confident	23 Å²	23	33.2 Å²	33.2	10%	0.101	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-79	127.3	178.5	-105.7	-78.6	0	0	0	110.9	E304 I306 V406 L408 N457	E304-F459 VanDerWaalsContact OE2-CE2 3.24Å; E304-F459 WeakPolarHBondContact OE2-CE2 3.41Å; I306-F459 HydrophobicContact CD1-CE2 3.87Å; I306-F459 HydrophobicContact CD1-CZ 3.41Å; I306-F459 VanDerWaalsContact CD1-CZ 3.41Å; I306-F459 HydrophobicContact CG1-CE2 4.35Å; I306-F459 HydrophobicContact CG1-CZ 3.78Å; V406-F459 HydrophobicContact CB-CD1 4.47Å; V406-F459 HydrophobicContact CB-CE1 4.36Å; V406-F459 HydrophobicContact CG1-CE1 4.05Å; V406-F459 HydrophobicContact CG1-CZ 4.11Å; V406-F459 WeakPolarHBondContact O-CD1 3.29Å; L408-F459 HydrophobicContact CD1-CE1 4.36Å; L408-F459 HydrophobicContact CD2-CE1 3.79Å; L408-F459 HydrophobicContact CD2-CZ 4.31Å; L408-F459 HydrophobicContact CG-CE1 3.89Å; N457-F459 PolarHBondContact O-N 3.21Å
460	G	69.1	Low	80.9	Confident	4 Å²	4	31.1 Å²	31.1	4%	0.041	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-64.3	152.2	176.2	0	0	0	0	0	111.3	V406 Y407	V406-G460 PolarHBondContact O-N 2.63Å; Y407-G460 VanDerWaalsContact CE1-CA 3.49Å
461	K	69.9	Low	81.2	Confident	133 Å²	133	30.5 Å²	30.5	58%	0.578	14%	0.138	S	C	*	.	P	Polyproline II helix	trans	-66.2	135.6	-179.6	-61.3	-178.6	-173.6	-177	0	110.9	I195	I195-K461 HydrophobicContact CD1-CD 4.48Å
462	F	68.5	Low	81.4	Confident	31 Å²	31	26.6 Å²	26.6	14%	0.136	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-80.8	138.7	164.1	-61.9	-78.6	0	0	0	109.3	Y193 L408 L466 L508 M548	Y193-F462 HydrophobicContact CD1-CD2 4.01Å; Y193-F462 AromaticContact CD1-CE2 3.83Å; Y193-F462 HydrophobicContact CD1-CE2 3.83Å; Y193-F462 HydrophobicContact CE1-CE2 4.32Å; L408-F462 HydrophobicContact CB-CE1 4.15Å; L408-F462 HydrophobicContact CD1-CE1 3.76Å; L408-F462 HydrophobicContact CD1-CZ 3.63Å; L408-F462 HydrophobicContact CG-CE1 4.1Å; L408-F462 HydrophobicContact CG-CZ 4.05Å; F462-L466 HydrophobicContact CB-CD2 3.95Å; F462-L466 HydrophobicContact CD2-CD2 4.17Å; F462-L466 HydrophobicContact CG-CD2 4.18Å; F462-L508 HydrophobicContact CD1-CD1 3.79Å; F462-L508 HydrophobicContact CD1-CD2 4.44Å; F462-L508 HydrophobicContact CE1-CD1 4.02Å; F462-L508 HydrophobicContact CE1-CD2 4.22Å; F462-M548 HydrophobicContact CZ-SD 4.47Å
463	K	66.1	Low	81.5	Confident	92 Å²	92	26.7 Å²	26.7	40%	0.4	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-71.8	134.1	167.3	-83.9	174.4	161.8	-175.9	0	108.7	Q411 S417 E418 L550	Q411-K463 VanDerWaalsContact NE2-CE 3.27Å; S417-K463 WeakPolarHBondContact OG-CD 3.41Å; E418-K463 IonicContact OE1-NZ 2.86Å; E418-K463 PolarHBondContact OE1-NZ 3.26Å; E418-K463 IonicContact OE2-NZ 2.64Å; K463-L550 VanDerWaalsContact O-CD2 3.27Å; K463-L550 WeakPolarHBondContact O-CD2 3.29Å
464	E	66.3	Low	81.6	Confident	155 Å²	155	27.3 Å²	27.3	72%	0.724	13%	0.126	S	C	*	.	S	Bend	trans	-72.6	151.9	171.5	-75.9	-177.1	-174.2	0	0	111.1
465	P	69.8	Low	81.6	Confident	29 Å²	29	25.6 Å²	25.6	19%	0.188	12%	0.12	C	C	.	.			cis	-96.4	111.5	13	37	-33	0	0	0	112.9	T551 N553	P465-T551 WeakPolarHBondContact CD-O 3.22Å; P465-T551 WeakPolarHBondContact CG-O 3.42Å; P465-T551 PolarHBondContact O-N 2.8Å; P465-N553 WeakPolarHBondContact CB-OD1 3.49Å; P465-N553 VanDerWaalsContact CG-OD1 3.28Å; P465-N553 WeakPolarHBondContact CG-OD1 3.39Å
466	L	83	Confident	81.5	Confident	11 Å²	11	27.1 Å²	27.1	6%	0.058	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.1	175.7	-178.9	64.8	0	0	0	109.5	Y123 Y193 F462 I468 L508 M548 L550	Y123-L466 WeakPolarHBondContact CE1-O 3.31Å; Y193-L466 HydrophobicContact CD1-CD2 4.24Å; Y193-L466 HydrophobicContact CG-CD2 4.28Å; F462-L466 HydrophobicContact CB-CD2 3.95Å; F462-L466 HydrophobicContact CD2-CD2 4.17Å; F462-L466 HydrophobicContact CG-CD2 4.18Å; L466-I468 HydrophobicContact CD1-CG1 4.46Å; L466-I468 HydrophobicContact CD2-CD1 3.58Å; L466-I468 HydrophobicContact CD2-CG1 4.01Å; L466-I468 HydrophobicContact CG-CD1 3.95Å; L466-I468 HydrophobicContact CG-CG1 3.77Å; L466-L508 HydrophobicContact CD1-CD1 3.47Å; L466-L508 VanDerWaalsContact CD1-CD1 3.47Å; L466-M548 HydrophobicContact CD1-CB 4.26Å; L466-L550 HydrophobicContact CD1-CD2 4.15Å
467	R	87.4	Confident	81.4	Confident	6 Å²	6	31.6 Å²	31.6	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.7	174.2	-56	-76.6	-78.2	-101.2	-0.5	108.5	T80 M548 G549 T551 G554 W559 N560 E584	T80-R467 PolarHBondContact O-NH1 3.05Å; T80-R467 PolarHBondContact O-NH2 3.13Å; T80-R467 VanDerWaalsContact O-NH2 3.1Å; R467-M548 WeakPolarHBondContact O-CA 3.38Å; R467-G549 PolarHBondContact N-O 3.37Å; R467-G549 PolarHBondContact O-N 2.68Å; R467-T551 HydrophobicContact CG-CG2 3.87Å; R467-T551 VanDerWaalsContact CG-OG1 3.31Å; R467-T551 WeakPolarHBondContact CG-OG1 3.24Å; R467-G554 PolarHBondContact NH1-O 3.34Å; R467-W559 HydrophobicContact CB-CD2 3.86Å; R467-W559 HydrophobicContact CB-CE3 4.41Å; R467-W559 HydrophobicContact CB-CG 4.38Å; R467-W559 HydrophobicContact CB-CH2 4.03Å; R467-W559 HydrophobicContact CB-CZ2 3.41Å; R467-W559 VanDerWaalsContact CB-CZ2 3.41Å; R467-W559 HydrophobicContact CB-CZ3 4.49Å; R467-W559 HydrophobicContact CG-CD2 4.37Å; R467-W559 HydrophobicContact CG-CG 4.41Å; R467-W559 VanDerWaalsContact CZ-CD1 3.49Å; R467-W559 VanDerWaalsContact NH2-CD1 3.29Å; R467-N560 PolarHBondContact NH2-OD1 2.87Å; R467-E584 IonicContact CZ-OE1 3.1Å; R467-E584 IonicContact CZ-OE2 3.25Å; R467-E584 IonicContact NE-OE1 2.83Å; R467-E584 PolarHBondContact NE-OE1 3.27Å; R467-E584 IonicContact NE-OE2 3.95Å; R467-E584 PolarHBondContact NE-OE2 2.77Å; R467-E584 IonicContact NH2-OE1 3.64Å; R467-E584 PolarHBondContact NH2-OE1 3.47Å; R467-E584 IonicContact NH2-OE2 2.76Å
468	I	88.6	Confident	81.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.2	-170.6	-50.6	-170.8	0	0	0	111.8	Y123 Y193 L466 K470 T546 F547 M548 E584	Y123-I468 HydrophobicContact CD2-CB 3.99Å; Y123-I468 HydrophobicContact CD2-CG1 4.34Å; Y123-I468 HydrophobicContact CE2-CB 3.68Å; Y123-I468 HydrophobicContact CE2-CD1 3.56Å; Y123-I468 HydrophobicContact CE2-CG1 3.57Å; Y123-I468 VanDerWaalsContact OH-CD1 3.28Å; Y123-I468 WeakPolarHBondContact OH-CD1 3.19Å; Y193-I468 HydrophobicContact CD1-CD1 3.96Å; Y193-I468 HydrophobicContact CD2-CD1 3.39Å; Y193-I468 HydrophobicContact CE1-CD1 4.41Å; Y193-I468 HydrophobicContact CE2-CD1 3.93Å; Y193-I468 HydrophobicContact CG-CD1 3.43Å; Y193-I468 VanDerWaalsContact CG-CD1 3.43Å; L466-I468 HydrophobicContact CD1-CG1 4.46Å; L466-I468 HydrophobicContact CD2-CD1 3.58Å; L466-I468 HydrophobicContact CD2-CG1 4.01Å; L466-I468 HydrophobicContact CG-CD1 3.95Å; L466-I468 HydrophobicContact CG-CG1 3.77Å; I468-K470 HydrophobicContact CG2-CD 4.3Å; I468-K470 HydrophobicContact CG2-CG 3.55Å; I468-T546 HydrophobicContact CG2-CG2 3.25Å; I468-F547 WeakPolarHBondContact CA-O 3.11Å; I468-M548 HydrophobicContact CG1-CG 4.48Å; I468-E584 WeakPolarHBondContact O-CB 3.49Å; I468-E584 PolarHBondContact O-N 3.01Å
469	L	93	Very high	82.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.7	163.5	-52.3	173.5	0	0	0	109.7	F471 T546 F547 W559 A563 I566 T583 E584	L469-F471 HydrophobicContact CB-CE2 3.73Å; L469-F471 HydrophobicContact CB-CZ 4.24Å; L469-T546 CarbonylContact O-C 3.59Å; L469-T546 VanDerWaalsContact O-CA 3.31Å; L469-T546 WeakPolarHBondContact O-CA 3.36Å; L469-F547 HydrophobicContact CB-CB 4.19Å; L469-F547 HydrophobicContact CB-CD2 4.32Å; L469-F547 PolarHBondContact N-O 2.97Å; L469-F547 PolarHBondContact O-N 3.19Å; L469-W559 HydrophobicContact CD1-CZ2 4.44Å; L469-W559 HydrophobicContact CD2-CZ2 4.37Å; L469-W559 HydrophobicContact CG-CH2 4.25Å; L469-W559 HydrophobicContact CG-CZ2 3.94Å; L469-A563 HydrophobicContact CD1-CB 3.7Å; L469-A563 HydrophobicContact CD2-CB 4.11Å; L469-A563 HydrophobicContact CG-CB 4.35Å; L469-I566 HydrophobicContact CD1-CB 4.04Å; L469-I566 HydrophobicContact CD1-CD1 4.25Å; L469-I566 HydrophobicContact CD1-CG2 3.91Å; L469-T583 VanDerWaalsContact CA-OG1 3.29Å; L469-T583 WeakPolarHBondContact CA-OG1 3.3Å; L469-E584 HydrophobicContact CD2-CB 3.98Å
470	K	92.3	Very high	83.4	Confident	9 Å²	9	38 Å²	38	4%	0.039	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.4	-177.4	-61.1	-166.3	-177	-169.7	0	111.2	Y193 I468 I545 T546 Q580 T583	Y193-K470 VanDerWaalsContact CE2-NZ 3.29Å; I468-K470 HydrophobicContact CG2-CD 4.3Å; I468-K470 HydrophobicContact CG2-CG 3.55Å; K470-I545 WeakPolarHBondContact CA-O 3.34Å; K470-T546 HydrophobicContact CG-CG2 3.98Å; K470-Q580 HydrophobicContact CB-CB 3.87Å; K470-Q580 HydrophobicContact CB-CG 3.96Å; K470-Q580 PolarHBondContact O-N 2.96Å; K470-T583 PolarHBondContact N-OG1 3.38Å
471	F	93.9	Very high	84.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159	178.1	-55.5	-84.8	0	0	0	110.3	L469 H544 I545 F547 I566 N567 M570 L571 M578 P579 Q580	L469-F471 HydrophobicContact CB-CE2 3.73Å; L469-F471 HydrophobicContact CB-CZ 4.24Å; F471-H544 CarbonylContact O-C 3.45Å; F471-H544 WeakPolarHBondContact O-CA 2.87Å; F471-I545 HydrophobicContact CB-CB 4.5Å; F471-I545 PolarHBondContact N-O 2.79Å; F471-I545 PolarHBondContact O-N 2.83Å; F471-F547 HydrophobicContact CD2-CD2 4.08Å; F471-F547 AromaticContact CD2-CE2 3.94Å; F471-F547 HydrophobicContact CD2-CE2 3.94Å; F471-F547 AromaticContact CE2-CD2 3.9Å; F471-F547 HydrophobicContact CE2-CD2 3.9Å; F471-F547 AromaticContact CE2-CE2 3.94Å; F471-F547 HydrophobicContact CE2-CE2 3.94Å; F471-I566 HydrophobicContact CE2-CG2 4.01Å; F471-I566 HydrophobicContact CZ-CG2 4.3Å; F471-N567 WeakPolarHBondContact CE1-OD1 3.17Å; F471-N567 VanDerWaalsContact CZ-OD1 3.27Å; F471-N567 WeakPolarHBondContact CZ-OD1 3.49Å; F471-M570 HydrophobicContact CB-CE 3.9Å; F471-M570 HydrophobicContact CD1-CB 4.09Å; F471-M570 HydrophobicContact CD1-CE 4.5Å; F471-M570 HydrophobicContact CD1-CG 4.5Å; F471-M570 HydrophobicContact CD2-CE 3.89Å; F471-M570 HydrophobicContact CD2-CG 4.19Å; F471-M570 HydrophobicContact CE1-CB 3.87Å; F471-M570 HydrophobicContact CE1-CG 4.29Å; F471-M570 HydrophobicContact CE2-CB 4.44Å; F471-M570 HydrophobicContact CE2-CG 3.96Å; F471-M570 HydrophobicContact CG-CB 4.47Å; F471-M570 HydrophobicContact CG-CE 3.84Å; F471-M570 HydrophobicContact CG-CG 4.45Å; F471-M570 HydrophobicContact CZ-CB 4.06Å; F471-M570 HydrophobicContact CZ-CG 4.01Å; F471-L571 HydrophobicContact CD1-CD2 4.32Å; F471-L571 HydrophobicContact CE1-CD2 4.22Å; F471-L571 HydrophobicContact CE1-CG 4.44Å; F471-M578 CarbonylContact C-O 3.6Å; F471-M578 VanDerWaalsContact CA-O 3.29Å; F471-M578 WeakPolarHBondContact CA-O 3.49Å; F471-P579 HydrophobicContact CD1-CB 4.26Å; F471-P579 HydrophobicContact CE1-CB 4.33Å; F471-Q580 PolarHBondContact O-NE2 2.69Å
472	T	93.4	Very high	85.6	Confident	1 Å²	1	37 Å²	37	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.9	169.3	-62.1	0	0	0	0	107.3	V526 L542 A543 H544 M578 Q580	T472-V526 HydrophobicContact CG2-CG1 4.14Å; T472-V526 HydrophobicContact CG2-CG2 3.77Å; T472-L542 HydrophobicContact CG2-CB 4.2Å; T472-L542 HydrophobicContact CG2-CD1 4.32Å; T472-A543 CarbonylContact C-O 3.49Å; T472-A543 WeakPolarHBondContact CA-O 3.46Å; T472-H544 VanDerWaalsContact CG2-CE1 3.44Å; T472-H544 WeakPolarHBondContact CG2-CE1 3.38Å; T472-H544 WeakPolarHBondContact CG2-ND1 3.2Å; T472-H544 PolarHBondContact OG1-ND1 3.04Å; T472-M578 PolarHBondContact N-O 2.68Å; T472-M578 PolarHBondContact O-N 3.07Å; T472-Q580 PolarHBondContact OG1-NE2 2.93Å
473	M	92	Very high	86.9	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.3	172.2	67.2	170.9	-67.9	0	0	111.3	R481 A485 L542 A543 I545 I574 T576 C577	M473-R481 HydrophobicContact CE-CB 4.37Å; M473-A485 HydrophobicContact CE-CB 3.65Å; M473-A485 HydrophobicContact SD-CB 3.42Å; M473-A485 WeakPolarHBondContact SD-CB 3.47Å; M473-L542 WeakPolarHBondContact O-CA 3.11Å; M473-A543 HydrophobicContact CG-CB 3.86Å; M473-A543 PolarHBondContact N-O 3.41Å; M473-A543 PolarHBondContact O-N 3.45Å; M473-I545 HydrophobicContact CG-CD1 4.13Å; M473-I545 HydrophobicContact SD-CD1 3.9Å; M473-I574 HydrophobicContact CE-CG2 4.21Å; M473-I574 HydrophobicContact SD-CG2 4.46Å; M473-T576 WeakPolarHBondContact CA-O 3.36Å; M473-C577 HydrophobicContact CB-CB 4.41Å
474	E	89.3	Confident	88.2	Confident	13 Å²	13	37.8 Å²	37.8	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.8	166	-57.9	173.6	-133.5	0	0	109.6	V526 G527 L528 L542 T576	E474-V526 HydrophobicContact CG-CB 4.49Å; E474-V526 HydrophobicContact CG-CG1 3.35Å; E474-G527 WeakPolarHBondContact OE1-CA 3.27Å; E474-G527 PolarHBondContact OE1-N 2.83Å; E474-G527 WeakPolarHBondContact OE2-CA 3.31Å; E474-L528 PolarHBondContact OE1-N 3.23Å; E474-L542 HydrophobicContact CG-CD2 4.07Å; E474-T576 HydrophobicContact CB-CG2 4.13Å; E474-T576 PolarHBondContact O-OG1 2.95Å; E474-T576 VanDerWaalsContact O-OG1 3.12Å
475	T	88.8	Confident	89.7	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.043	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.6	171.6	-176.4	0	0	0	0	111.1	L479 F482 L541	T475-L479 HydrophobicContact CG2-CD2 4.08Å; T475-F482 WeakPolarHBondContact OG1-CB 3.34Å; T475-F482 PolarHBondContact OG1-N 2.85Å; T475-L541 HydrophobicContact CG2-CB 3.8Å; T475-L541 HydrophobicContact CG2-CD2 3.58Å; T475-L541 HydrophobicContact CG2-CG 3.49Å; T475-L541 VanDerWaalsContact CG2-CG 3.49Å; T475-L541 WeakPolarHBondContact CG2-O 3.27Å; T475-L541 PolarHBondContact N-O 3.1Å
476	D	86	Confident	90.9	Very high	32 Å²	32	29.2 Å²	29.2	17%	0.171	15%	0.149	C	C	.	.			trans	-74.2	157.8	170.1	58.6	-71.7	0	0	0	111.6	E478 L479 N480 R481	D476-E478 PolarHBondContact O-N 2.87Å; D476-E478 VanDerWaalsContact OD2-C 3.32Å; D476-E478 WeakPolarHBondContact OD2-CA 3.48Å; D476-E478 WeakPolarHBondContact OD2-CB 3.24Å; D476-E478 PolarHBondContact OD2-N 2.85Å; D476-L479 PolarHBondContact O-N 3.29Å; D476-L479 PolarHBondContact OD2-N 2.92Å; D476-L479 VanDerWaalsContact OD2-N 3.11Å; D476-N480 PolarHBondContact OD1-N 2.79Å; D476-N480 VanDerWaalsContact OD1-N 3.12Å; D476-N480 PolarHBondContact OD2-N 2.79Å; D476-N480 PolarHBondContact OD2-ND2 3.2Å; D476-R481 VanDerWaalsContact OD1-CB 3.29Å; D476-R481 WeakPolarHBondContact OD1-CB 3.45Å; D476-R481 VanDerWaalsContact OD1-CG 3.3Å; D476-R481 WeakPolarHBondContact OD1-CG 3.23Å; D476-R481 PolarHBondContact OD1-N 3.2Å
477	P	83.8	Confident	91.6	Very high	97 Å²	97	31.6 Å²	31.6	63%	0.63	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.2	177	-24.8	34.8	0	0	0	114.6	L479	P477-L479 VanDerWaalsContact C-N 3.33Å
478	E	87.8	Confident	92	Very high	89 Å²	89	32.9 Å²	32.9	42%	0.416	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.5	176.9	-60.7	-57	135.7	0	0	112.6	K294 D476 N480	K294-E478 IonicContact NZ-OE1 2.74Å; K294-E478 PolarHBondContact NZ-OE1 3Å; K294-E478 IonicContact NZ-OE2 2.66Å; K294-E478 PolarHBondContact NZ-OE2 2.69Å; D476-E478 PolarHBondContact O-N 2.87Å; D476-E478 VanDerWaalsContact OD2-C 3.32Å; D476-E478 WeakPolarHBondContact OD2-CA 3.48Å; D476-E478 WeakPolarHBondContact OD2-CB 3.24Å; D476-E478 PolarHBondContact OD2-N 2.85Å; E478-N480 VanDerWaalsContact CB-ND2 3.27Å; E478-N480 WeakPolarHBondContact CB-ND2 3.37Å; E478-N480 PolarHBondContact O-N 3.09Å
479	L	91.6	Very high	92.4	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	17%	0.168	C	C	.	.			trans	62.3	16.1	176.6	-56.5	172.9	0	0	0	115.6	L293 K294 I297 T475 D476 P477 R481 F482 T483 L541	L293-L479 HydrophobicContact CB-CD1 4.06Å; L293-L479 HydrophobicContact CD2-CD1 3.96Å; L293-L479 HydrophobicContact CG-CD1 3.81Å; K294-L479 HydrophobicContact CB-CD1 4.22Å; I297-L479 HydrophobicContact CD1-CD1 4.15Å; I297-L479 HydrophobicContact CD1-CD2 4.04Å; T475-L479 HydrophobicContact CG2-CD2 4.08Å; D476-L479 PolarHBondContact O-N 3.29Å; D476-L479 PolarHBondContact OD2-N 2.92Å; D476-L479 VanDerWaalsContact OD2-N 3.11Å; P477-L479 VanDerWaalsContact C-N 3.33Å; L479-R481 PolarHBondContact O-N 2.99Å; L479-F482 HydrophobicContact CB-CB 4.34Å; L479-F482 HydrophobicContact CD2-CB 4.36Å; L479-F482 WeakPolarHBondContact O-CB 3.46Å; L479-F482 PolarHBondContact O-N 3.06Å; L479-T483 PolarHBondContact O-N 2.83Å; L479-T483 PolarHBondContact O-OG1 3.43Å; L479-L541 HydrophobicContact CD2-CD2 3.58Å
480	N	91.1	Very high	92.5	Very high	77 Å²	77	33 Å²	33	41%	0.412	17%	0.169	S	C	.	.	H	α-helix	trans	-62.7	-46.4	-179.3	-65.3	-75.5	0	0	0	112.3	I288 D476 E478 F482 T483 L484	I288-N480 WeakPolarHBondContact CD1-OD1 3.5Å; D476-N480 PolarHBondContact OD1-N 2.79Å; D476-N480 VanDerWaalsContact OD1-N 3.12Å; D476-N480 PolarHBondContact OD2-N 2.79Å; D476-N480 PolarHBondContact OD2-ND2 3.2Å; E478-N480 VanDerWaalsContact CB-ND2 3.27Å; E478-N480 WeakPolarHBondContact CB-ND2 3.37Å; E478-N480 PolarHBondContact O-N 3.09Å; N480-F482 VanDerWaalsContact C-N 3.29Å; N480-F482 PolarHBondContact O-N 2.64Å; N480-T483 PolarHBondContact O-N 3.26Å; N480-L484 WeakPolarHBondContact O-CG 3.49Å; N480-L484 PolarHBondContact O-N 3.31Å; N480-L484 VanDerWaalsContact O-N 3.08Å
481	R	91.3	Very high	92.7	Very high	116 Å²	116	37.5 Å²	37.5	44%	0.438	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-40.2	177	-69.7	179.7	-175.5	-155.9	-1.8	110.8	M473 D476 L479 A485 E529 T576	M473-R481 HydrophobicContact CE-CB 4.37Å; D476-R481 VanDerWaalsContact OD1-CB 3.29Å; D476-R481 WeakPolarHBondContact OD1-CB 3.45Å; D476-R481 VanDerWaalsContact OD1-CG 3.3Å; D476-R481 WeakPolarHBondContact OD1-CG 3.23Å; D476-R481 PolarHBondContact OD1-N 3.2Å; L479-R481 PolarHBondContact O-N 2.99Å; R481-A485 WeakPolarHBondContact O-CB 3.22Å; R481-A485 PolarHBondContact O-N 2.91Å; R481-E529 IonicContact CZ-OE2 3.37Å; R481-E529 IonicContact NH1-OE2 3.33Å; R481-E529 PolarHBondContact NH1-OE2 2.88Å; R481-T576 VanDerWaalsContact NH1-CG2 3.33Å
482	F	94.3	Very high	92.7	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-49.2	175.1	175.6	-100.5	0	0	0	111.2	L286 L293 I305 T475 L479 N480 L484 A485 I486 I512 F514 A543	L286-F482 HydrophobicContact CD2-CE1 4.26Å; L293-F482 HydrophobicContact CD2-CD1 3.93Å; L293-F482 HydrophobicContact CD2-CE1 3.45Å; L293-F482 VanDerWaalsContact CD2-CE1 3.45Å; L293-F482 HydrophobicContact CD2-CZ 4.23Å; I305-F482 HydrophobicContact CD1-CZ 4.26Å; T475-F482 WeakPolarHBondContact OG1-CB 3.34Å; T475-F482 PolarHBondContact OG1-N 2.85Å; L479-F482 HydrophobicContact CB-CB 4.34Å; L479-F482 HydrophobicContact CD2-CB 4.36Å; L479-F482 WeakPolarHBondContact O-CB 3.46Å; L479-F482 PolarHBondContact O-N 3.06Å; N480-F482 VanDerWaalsContact C-N 3.29Å; N480-F482 PolarHBondContact O-N 2.64Å; F482-L484 PolarHBondContact O-N 2.8Å; F482-A485 WeakPolarHBondContact O-CB 3.41Å; F482-A485 PolarHBondContact O-N 2.87Å; F482-A485 VanDerWaalsContact O-N 3.11Å; F482-I486 HydrophobicContact CD1-CG1 4.13Å; F482-I486 HydrophobicContact CD2-CD1 4.46Å; F482-I486 HydrophobicContact CD2-CG1 4.24Å; F482-I486 HydrophobicContact CE1-CD1 4.33Å; F482-I486 HydrophobicContact CE1-CG1 3.63Å; F482-I486 HydrophobicContact CE2-CD1 3.68Å; F482-I486 HydrophobicContact CE2-CG1 3.76Å; F482-I486 HydrophobicContact CG-CG1 4.42Å; F482-I486 HydrophobicContact CZ-CD1 3.6Å; F482-I486 HydrophobicContact CZ-CG1 3.42Å; F482-I486 VanDerWaalsContact CZ-CG1 3.42Å; F482-I486 WeakPolarHBondContact O-CG1 3.38Å; F482-I486 PolarHBondContact O-N 2.8Å; F482-I512 HydrophobicContact CE2-CD1 4.18Å; F482-I512 HydrophobicContact CE2-CG2 3.96Å; F482-I512 HydrophobicContact CZ-CD1 3.98Å; F482-I512 HydrophobicContact CZ-CG2 4.34Å; F482-F514 HydrophobicContact CD1-CZ 4.5Å; F482-F514 HydrophobicContact CD2-CE1 4.04Å; F482-F514 HydrophobicContact CD2-CZ 4.09Å; F482-F514 HydrophobicContact CE1-CZ 4.08Å; F482-F514 HydrophobicContact CE2-CE1 4.01Å; F482-F514 AromaticContact CE2-CZ 3.62Å; F482-F514 HydrophobicContact CE2-CZ 3.62Å; F482-F514 HydrophobicContact CG-CE1 4.44Å; F482-F514 HydrophobicContact CZ-CE1 4.38Å; F482-F514 AromaticContact CZ-CZ 3.61Å; F482-F514 HydrophobicContact CZ-CZ 3.61Å; F482-A543 HydrophobicContact CD2-CB 3.88Å; F482-A543 HydrophobicContact CE2-CB 4.09Å
483	T	95	Very high	92.8	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.117	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-46.9	178.5	-63.6	0	0	0	0	112.1	L286 L479 N480 A485 I486 H487	L286-T483 HydrophobicContact CB-CG2 4.15Å; L286-T483 HydrophobicContact CD2-CG2 4.4Å; L479-T483 PolarHBondContact O-N 2.83Å; L479-T483 PolarHBondContact O-OG1 3.43Å; N480-T483 PolarHBondContact O-N 3.26Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.9Å; T483-I486 PolarHBondContact O-N 3.4Å; T483-H487 PolarHBondContact O-CD2 3.37Å; T483-H487 PolarHBondContact O-N 3.3Å
484	L	94.5	Very high	92.9	Very high	121 Å²	121	41.5 Å²	41.5	63%	0.634	21%	0.213	S	C	*	.	H	α-helix	trans	-60.3	-40.8	176	-69.8	170.4	0	0	0	112.8	N480 F482 T488	N480-L484 WeakPolarHBondContact O-CG 3.49Å; N480-L484 PolarHBondContact O-N 3.31Å; N480-L484 VanDerWaalsContact O-N 3.08Å; F482-L484 PolarHBondContact O-N 2.8Å; L484-T488 PolarHBondContact O-N 2.9Å; L484-T488 VanDerWaalsContact O-N 3.13Å; L484-T488 PolarHBondContact O-OG1 3.41Å
485	A	96	Very high	93	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-40.8	176	0	0	0	0	0	111.7	M473 R481 F482 T483 T488 I489 I574	M473-A485 HydrophobicContact CE-CB 3.65Å; M473-A485 HydrophobicContact SD-CB 3.42Å; M473-A485 WeakPolarHBondContact SD-CB 3.47Å; R481-A485 WeakPolarHBondContact O-CB 3.22Å; R481-A485 PolarHBondContact O-N 2.91Å; F482-A485 WeakPolarHBondContact O-CB 3.41Å; F482-A485 PolarHBondContact O-N 2.87Å; F482-A485 VanDerWaalsContact O-N 3.11Å; T483-A485 VanDerWaalsContact C-N 3.32Å; T483-A485 PolarHBondContact O-N 2.9Å; A485-T488 WeakPolarHBondContact O-CB 3.44Å; A485-T488 PolarHBondContact O-N 2.76Å; A485-I489 WeakPolarHBondContact O-CD1 3.45Å; A485-I489 VanDerWaalsContact O-CG1 3.26Å; A485-I489 WeakPolarHBondContact O-CG1 3.39Å; A485-I489 PolarHBondContact O-N 3.42Å; A485-I574 HydrophobicContact CB-CD1 3.85Å; A485-I574 HydrophobicContact CB-CG1 4.33Å; A485-I574 HydrophobicContact CB-CG2 4.17Å
486	I	96.7	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-45.8	177	-63.8	-55.8	0	0	0	111.6	W282 L286 F482 T483 T488 I489 L490 I512	W282-I486 HydrophobicContact CD2-CG2 4.42Å; W282-I486 HydrophobicContact CE3-CG2 3.86Å; W282-I486 HydrophobicContact CH2-CD1 4.35Å; W282-I486 HydrophobicContact CH2-CG2 3.98Å; W282-I486 HydrophobicContact CZ3-CG1 4.36Å; W282-I486 HydrophobicContact CZ3-CG2 3.63Å; L286-I486 HydrophobicContact CD1-CB 4.33Å; L286-I486 HydrophobicContact CD1-CG2 3.75Å; L286-I486 HydrophobicContact CD2-CB 3.95Å; L286-I486 HydrophobicContact CD2-CG1 4.16Å; L286-I486 HydrophobicContact CD2-CG2 3.95Å; L286-I486 HydrophobicContact CG-CG2 4.43Å; F482-I486 HydrophobicContact CD1-CG1 4.13Å; F482-I486 HydrophobicContact CD2-CD1 4.46Å; F482-I486 HydrophobicContact CD2-CG1 4.24Å; F482-I486 HydrophobicContact CE1-CD1 4.33Å; F482-I486 HydrophobicContact CE1-CG1 3.63Å; F482-I486 HydrophobicContact CE2-CD1 3.68Å; F482-I486 HydrophobicContact CE2-CG1 3.76Å; F482-I486 HydrophobicContact CG-CG1 4.42Å; F482-I486 HydrophobicContact CZ-CD1 3.6Å; F482-I486 HydrophobicContact CZ-CG1 3.42Å; F482-I486 VanDerWaalsContact CZ-CG1 3.42Å; F482-I486 WeakPolarHBondContact O-CG1 3.38Å; F482-I486 PolarHBondContact O-N 2.8Å; T483-I486 PolarHBondContact O-N 3.4Å; I486-T488 VanDerWaalsContact C-N 3.25Å; I486-T488 PolarHBondContact O-N 3.29Å; I486-I489 HydrophobicContact CD1-CD1 4.16Å; I486-I489 CarbonylContact O-C 3.58Å; I486-I489 WeakPolarHBondContact O-CA 3.05Å; I486-I489 WeakPolarHBondContact O-CB 3.35Å; I486-I489 PolarHBondContact O-N 3.02Å; I486-L490 HydrophobicContact CG2-CD1 3.92Å; I486-L490 HydrophobicContact CG2-CG 3.94Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 2.98Å; I486-I512 HydrophobicContact CD1-CD1 3.48Å; I486-I512 VanDerWaalsContact CD1-CD1 3.48Å
487	H	96.2	Very high	93.6	Very high	61 Å²	61	44.3 Å²	44.3	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-42.9	174.7	-71	-68.6	0	0	0	111.5	E354 T483 I489 L490 D491	E354-H487 IonicContact OE1-CE1 3.24Å; E354-H487 PolarHBondContact OE1-CE1 3.04Å; E354-H487 VanDerWaalsContact OE1-CE1 3.24Å; E354-H487 IonicContact OE1-ND1 3.04Å; E354-H487 PolarHBondContact OE1-ND1 3.3Å; T483-H487 PolarHBondContact O-CD2 3.37Å; T483-H487 PolarHBondContact O-N 3.3Å; H487-I489 VanDerWaalsContact C-N 3.27Å; H487-I489 PolarHBondContact O-N 3.45Å; H487-L490 PolarHBondContact O-N 3.39Å; H487-D491 WeakPolarHBondContact O-CB 3.46Å; H487-D491 PolarHBondContact O-N 3.44Å
488	T	96.8	Very high	93.8	Very high	33 Å²	33	43.5 Å²	43.5	20%	0.202	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-37.2	175.2	-55.9	0	0	0	0	112.5	L484 A485 I486 I492 T569 K573 I574	L484-T488 PolarHBondContact O-N 2.9Å; L484-T488 VanDerWaalsContact O-N 3.13Å; L484-T488 PolarHBondContact O-OG1 3.41Å; A485-T488 WeakPolarHBondContact O-CB 3.44Å; A485-T488 PolarHBondContact O-N 2.76Å; I486-T488 VanDerWaalsContact C-N 3.25Å; I486-T488 PolarHBondContact O-N 3.29Å; T488-I492 PolarHBondContact O-N 2.83Å; T488-T569 HydrophobicContact CG2-CG2 3.72Å; T488-K573 HydrophobicContact CG2-CB 4.16Å; T488-K573 HydrophobicContact CG2-CD 4.2Å; T488-I574 HydrophobicContact CG2-CG1 4.45Å
489	I	96.6	Very high	93.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.9	-43.6	177.9	-71.6	162.9	0	0	0	111.4	A485 I486 H487 D491 I492 L493 L510 I545 F547 M570	A485-I489 WeakPolarHBondContact O-CD1 3.45Å; A485-I489 VanDerWaalsContact O-CG1 3.26Å; A485-I489 WeakPolarHBondContact O-CG1 3.39Å; A485-I489 PolarHBondContact O-N 3.42Å; I486-I489 HydrophobicContact CD1-CD1 4.16Å; I486-I489 CarbonylContact O-C 3.58Å; I486-I489 WeakPolarHBondContact O-CA 3.05Å; I486-I489 WeakPolarHBondContact O-CB 3.35Å; I486-I489 PolarHBondContact O-N 3.02Å; H487-I489 VanDerWaalsContact C-N 3.27Å; H487-I489 PolarHBondContact O-N 3.45Å; I489-D491 VanDerWaalsContact C-N 3.32Å; I489-I492 WeakPolarHBondContact O-CG2 3.39Å; I489-I492 PolarHBondContact O-N 2.63Å; I489-L493 HydrophobicContact CG2-CD1 4.23Å; I489-L493 WeakPolarHBondContact O-CG 3.37Å; I489-L493 PolarHBondContact O-N 2.69Å; I489-L493 VanDerWaalsContact O-N 3.1Å; I489-L510 HydrophobicContact CG2-CD2 3.9Å; I489-I545 HydrophobicContact CD1-CD1 3.75Å; I489-I545 HydrophobicContact CD1-CG2 4.04Å; I489-F547 HydrophobicContact CD1-CZ 4.46Å; I489-F547 HydrophobicContact CG1-CZ 4.16Å; I489-F547 HydrophobicContact CG2-CE1 3.75Å; I489-F547 HydrophobicContact CG2-CZ 3.65Å; I489-M570 HydrophobicContact CD1-CE 4Å; I489-M570 HydrophobicContact CD1-SD 3.87Å; I489-M570 HydrophobicContact CG1-CE 4.39Å; I489-M570 HydrophobicContact CG1-SD 3.58Å; I489-M570 VanDerWaalsContact CG1-SD 3.58Å
490	L	95.7	Very high	93.2	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-42.1	177.1	-64.2	-176.2	0	0	0	110.2	W282 Y307 I353 I486 H487 I492 L493 H494	W282-L490 HydrophobicContact CB-CD1 4.39Å; W282-L490 HydrophobicContact CD2-CD1 4.23Å; W282-L490 HydrophobicContact CG-CD1 4.04Å; W282-L490 HydrophobicContact CZ2-CD2 4.49Å; Y307-L490 HydrophobicContact CD1-CD2 4.39Å; Y307-L490 HydrophobicContact CE1-CD2 3.72Å; I353-L490 HydrophobicContact CD1-CB 3.95Å; I353-L490 HydrophobicContact CD1-CD2 3.98Å; I353-L490 WeakPolarHBondContact CD1-O 3.2Å; I353-L490 HydrophobicContact CG1-CB 4.38Å; I353-L490 HydrophobicContact CG1-CD2 4.12Å; I353-L490 HydrophobicContact CG2-CB 4.26Å; I486-L490 HydrophobicContact CG2-CD1 3.92Å; I486-L490 HydrophobicContact CG2-CG 3.94Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 2.98Å; H487-L490 PolarHBondContact O-N 3.39Å; L490-I492 PolarHBondContact O-N 2.65Å; L490-L493 PolarHBondContact O-N 3.02Å; L490-H494 WeakPolarHBondContact O-CB 3.4Å; L490-H494 PolarHBondContact O-N 3.26Å
491	D	95.2	Very high	93	Very high	104 Å²	104	53 Å²	53	56%	0.556	27%	0.266	S	S	*	.	H	α-helix	trans	-57.6	-44.4	175.9	-74	-16.5	0	0	0	112.6	H487 I489 H494 K495	H487-D491 WeakPolarHBondContact O-CB 3.46Å; H487-D491 PolarHBondContact O-N 3.44Å; I489-D491 VanDerWaalsContact C-N 3.32Å; D491-H494 PolarHBondContact O-N 2.9Å; D491-K495 WeakPolarHBondContact O-CB 3.42Å; D491-K495 PolarHBondContact O-N 3.27Å
492	I	95.1	Very high	92.9	Very high	12 Å²	12	50 Å²	50	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-69.7	-37.9	179.4	-172.6	61.4	0	0	0	111.8	T488 I489 L490 K495 L496 Q565 I566 T569	T488-I492 PolarHBondContact O-N 2.83Å; I489-I492 WeakPolarHBondContact O-CG2 3.39Å; I489-I492 PolarHBondContact O-N 2.63Å; L490-I492 PolarHBondContact O-N 2.65Å; I492-K495 PolarHBondContact O-N 3.05Å; I492-L496 HydrophobicContact CG1-CD1 4.47Å; I492-L496 VanDerWaalsContact O-CG 3.29Å; I492-L496 WeakPolarHBondContact O-CG 3.44Å; I492-L496 PolarHBondContact O-N 3.13Å; I492-Q565 HydrophobicContact CD1-CB 4.2Å; I492-I566 HydrophobicContact CG1-CG1 4.33Å; I492-T569 HydrophobicContact CB-CG2 4.48Å
493	L	94.8	Very high	92.9	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-42.3	174.8	-69	176.4	0	0	0	111.3	Y307 I353 I489 L490 L496 A497 V506 F547	Y307-L493 HydrophobicContact CE1-CD1 4.14Å; I353-L493 HydrophobicContact CD1-CB 4.16Å; I489-L493 HydrophobicContact CG2-CD1 4.23Å; I489-L493 WeakPolarHBondContact O-CG 3.37Å; I489-L493 PolarHBondContact O-N 2.69Å; I489-L493 VanDerWaalsContact O-N 3.1Å; L490-L493 PolarHBondContact O-N 3.02Å; L493-L496 PolarHBondContact O-N 2.98Å; L493-A497 PolarHBondContact O-N 3.34Å; L493-V506 HydrophobicContact CD2-CB 4.19Å; L493-V506 HydrophobicContact CD2-CG1 4.13Å; L493-V506 HydrophobicContact CD2-CG2 4.19Å; L493-F547 HydrophobicContact CD2-CD1 4.34Å; L493-F547 HydrophobicContact CD2-CE1 4.23Å; L493-F547 HydrophobicContact CG-CE1 4.48Å
494	H	93.6	Very high	92.9	Very high	65 Å²	65	50.6 Å²	50.6	30%	0.301	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177.2	-168.5	69.5	0	0	0	111.5	W351 I353 L490 D491 A497 N498	W351-H494 AromaticContact CE3-ND1 3.62Å; W351-H494 AromaticContact CZ3-ND1 3.51Å; I353-H494 HydrophobicContact CD1-CB 4.17Å; L490-H494 WeakPolarHBondContact O-CB 3.4Å; L490-H494 PolarHBondContact O-N 3.26Å; D491-H494 PolarHBondContact O-N 2.9Å; H494-A497 PolarHBondContact O-N 2.99Å; H494-N498 PolarHBondContact CE1-ND2 3.12Å; H494-N498 PolarHBondContact ND1-ND2 3.39Å; H494-N498 PolarHBondContact NE2-ND2 2.82Å; H494-N498 WeakPolarHBondContact O-CB 3.31Å; H494-N498 PolarHBondContact O-N 3.35Å; H494-N498 VanDerWaalsContact O-N 3.12Å
495	K	93.2	Very high	92.7	Very high	105 Å²	105	45.4 Å²	45.4	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-47.2	175.8	-174.2	-178	175.8	-170.5	0	112.1	D491 I492 A497 N498 D499	D491-K495 WeakPolarHBondContact O-CB 3.42Å; D491-K495 PolarHBondContact O-N 3.27Å; I492-K495 PolarHBondContact O-N 3.05Å; K495-A497 PolarHBondContact O-N 2.86Å; K495-N498 PolarHBondContact O-N 3.39Å; K495-N498 VanDerWaalsContact O-N 3.12Å; K495-D499 WeakPolarHBondContact CE-OD1 3.36Å; K495-D499 WeakPolarHBondContact CG-OD1 3.35Å; K495-D499 PolarHBondContact O-N 2.57Å
496	L	93.9	Very high	92.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-36.2	178.7	-74.9	170.7	0	0	0	112.2	I492 L493 N503 A562 I566	I492-L496 HydrophobicContact CG1-CD1 4.47Å; I492-L496 VanDerWaalsContact O-CG 3.29Å; I492-L496 WeakPolarHBondContact O-CG 3.44Å; I492-L496 PolarHBondContact O-N 3.13Å; L493-L496 PolarHBondContact O-N 2.98Å; L496-N503 HydrophobicContact CB-CB 4.47Å; L496-N503 HydrophobicContact CD2-CB 4.33Å; L496-N503 PolarHBondContact O-N 3.38Å; L496-A562 HydrophobicContact CD1-CB 4.04Å; L496-A562 HydrophobicContact CD2-CB 4.17Å; L496-I566 HydrophobicContact CD1-CD1 4.21Å; L496-I566 HydrophobicContact CD1-CG1 4.29Å
497	A	92.4	Very high	92.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-79.7	-23.3	179.8	0	0	0	0	0	114.5	Y310 W351 L493 H494 K495 P502 Y504	Y310-A497 HydrophobicContact CE1-CB 4.01Å; W351-A497 HydrophobicContact CH2-CB 4.33Å; W351-A497 HydrophobicContact CZ3-CB 3.64Å; L493-A497 PolarHBondContact O-N 3.34Å; H494-A497 PolarHBondContact O-N 2.99Å; K495-A497 PolarHBondContact O-N 2.86Å; A497-P502 WeakPolarHBondContact O-CB 3.22Å; A497-Y504 HydrophobicContact CB-CD1 4.38Å; A497-Y504 HydrophobicContact CB-CE1 3.89Å
498	N	88.8	Confident	91.8	Very high	80 Å²	80	43 Å²	43	43%	0.428	23%	0.226	S	C	.	.	H	α-helix	trans	-114.7	-0.9	-171.8	-73.9	-30.7	0	0	0	114.8	H494 K495	H494-N498 PolarHBondContact CE1-ND2 3.12Å; H494-N498 PolarHBondContact ND1-ND2 3.39Å; H494-N498 PolarHBondContact NE2-ND2 2.82Å; H494-N498 WeakPolarHBondContact O-CB 3.31Å; H494-N498 PolarHBondContact O-N 3.35Å; H494-N498 VanDerWaalsContact O-N 3.12Å; K495-N498 PolarHBondContact O-N 3.39Å; K495-N498 VanDerWaalsContact O-N 3.12Å
499	D	83.8	Confident	91.3	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	22%	0.216	S	C	.	.	S	Bend	trans	-62.6	163.5	169.1	-83.9	-12.7	0	0	0	110.8	K495 L501	K495-D499 WeakPolarHBondContact CE-OD1 3.36Å; K495-D499 WeakPolarHBondContact CG-OD1 3.35Å; K495-D499 PolarHBondContact O-N 2.57Å; D499-L501 CarbonylContact O-C 3.21Å; D499-L501 PolarHBondContact O-N 3.46Å
500	D	81.5	Confident	91.1	Very high	180 Å²	180	41.5 Å²	41.5	96%	0.963	22%	0.217	S	C	*	.	S	Bend	trans	-51.3	-30.7	-177	-66.6	-33.4	0	0	0	113.8
501	L	86.7	Confident	91	Very high	133 Å²	133	41.8 Å²	41.8	70%	0.696	22%	0.218	S	C	*	.	S	Bend	trans	-118.9	98.1	170.4	-166.4	84	0	0	0	108.6	D499 N503 L558	D499-L501 CarbonylContact O-C 3.21Å; D499-L501 PolarHBondContact O-N 3.46Å; L501-N503 PolarHBondContact O-N 3.27Å; L501-L558 HydrophobicContact CD2-CD2 4.3Å
502	P	90.9	Very high	90.9	Very high	54 Å²	54	36.8 Å²	36.8	35%	0.351	19%	0.191	S	C	.	.			trans	-56.3	135.6	-179	-27.9	35.4	0	0	0	112.6	A497 Y504	A497-P502 WeakPolarHBondContact O-CB 3.22Å; P502-Y504 HydrophobicContact CB-CE1 4.1Å; P502-Y504 HydrophobicContact CB-CE2 3.68Å; P502-Y504 VanDerWaalsContact CB-CZ 3.44Å; P502-Y504 VanDerWaalsContact CB-OH 3.28Å; P502-Y504 WeakPolarHBondContact CB-OH 3.43Å
503	N	94.1	Very high	90.8	Very high	14 Å²	14	36.6 Å²	36.6	8%	0.075	19%	0.19	C	C	.	.			trans	-121.8	99.2	-178.7	-171.7	-22.2	0	0	0	110.7	L496 L501 S505 L558	L496-N503 HydrophobicContact CB-CB 4.47Å; L496-N503 HydrophobicContact CD2-CB 4.33Å; L496-N503 PolarHBondContact O-N 3.38Å; L501-N503 PolarHBondContact O-N 3.27Å; N503-S505 VanDerWaalsContact C-N 3.35Å; N503-S505 PolarHBondContact O-N 2.71Å; N503-S505 VanDerWaalsContact OD1-CB 3.23Å; N503-S505 WeakPolarHBondContact OD1-CB 3.44Å; N503-S505 PolarHBondContact OD1-N 3.47Å; N503-S505 VanDerWaalsContact OD1-N 3.07Å; N503-S505 PolarHBondContact OD1-OG 3.37Å; N503-L558 PolarHBondContact ND2-O 2.83Å
504	Y	93.8	Very high	90.7	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.075	19%	0.188	C	C	.	.			trans	-94.5	21.2	179.9	-51.8	-57.9	0	0	0	113.8	Y310 L348 P424 P428 A497 P502 V506 N507	Y310-Y504 HydrophobicContact CE1-CE1 4.42Å; Y310-Y504 AromaticContact CZ-CD1 3.97Å; Y310-Y504 WeakPolarHBondContact OH-CD1 3.35Å; L348-Y504 VanDerWaalsContact CD1-OH 3.27Å; L348-Y504 WeakPolarHBondContact CD1-OH 3.32Å; P424-Y504 WeakPolarHBondContact O-CD2 3.44Å; P428-Y504 HydrophobicContact CG-CD1 4.09Å; P428-Y504 HydrophobicContact CG-CE1 3.83Å; P428-Y504 HydrophobicContact CG-CE2 4.37Å; P428-Y504 HydrophobicContact CG-CG 4.48Å; A497-Y504 HydrophobicContact CB-CD1 4.38Å; A497-Y504 HydrophobicContact CB-CE1 3.89Å; P502-Y504 HydrophobicContact CB-CE1 4.1Å; P502-Y504 HydrophobicContact CB-CE2 3.68Å; P502-Y504 VanDerWaalsContact CB-CZ 3.44Å; P502-Y504 VanDerWaalsContact CB-OH 3.28Å; P502-Y504 WeakPolarHBondContact CB-OH 3.43Å; Y504-V506 PolarHBondContact O-N 3.45Å; Y504-V506 VanDerWaalsContact O-N 3.13Å; Y504-N507 WeakPolarHBondContact O-CB 3.41Å; Y504-N507 PolarHBondContact O-N 3.13Å
505	S	92	Very high	90.6	Very high	11 Å²	11	33.1 Å²	33.1	8%	0.077	17%	0.173	C	C	.	.			trans	-65.8	-19.4	-172.8	-54.6	0	0	0	0	114.3	N503 N507 G549 L558 W559	N503-S505 VanDerWaalsContact C-N 3.35Å; N503-S505 PolarHBondContact O-N 2.71Å; N503-S505 VanDerWaalsContact OD1-CB 3.23Å; N503-S505 WeakPolarHBondContact OD1-CB 3.44Å; N503-S505 PolarHBondContact OD1-N 3.47Å; N503-S505 VanDerWaalsContact OD1-N 3.07Å; N503-S505 PolarHBondContact OD1-OG 3.37Å; S505-N507 PolarHBondContact O-N 3.3Å; S505-G549 VanDerWaalsContact O-CA 3.28Å; S505-G549 WeakPolarHBondContact O-CA 3.35Å; S505-L558 WeakPolarHBondContact OG-CB 3.3Å; S505-W559 PolarHBondContact OG-N 2.89Å; S505-W559 VanDerWaalsContact OG-N 3.16Å
506	V	92.2	Very high	90.2	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	16%	0.156	C	C	.	.			trans	-82.3	64.1	168.5	-169.8	0	0	0	0	109.1	L493 Y504 G509 F547 M548 W559 I566	L493-V506 HydrophobicContact CD2-CB 4.19Å; L493-V506 HydrophobicContact CD2-CG1 4.13Å; L493-V506 HydrophobicContact CD2-CG2 4.19Å; Y504-V506 PolarHBondContact O-N 3.45Å; Y504-V506 VanDerWaalsContact O-N 3.13Å; V506-G509 WeakPolarHBondContact CG1-O 3.37Å; V506-F547 HydrophobicContact CG1-CB 4.32Å; V506-F547 HydrophobicContact CG1-CD1 4.19Å; V506-M548 CarbonylContact C-O 3.53Å; V506-M548 WeakPolarHBondContact CA-O 3.08Å; V506-W559 HydrophobicContact CG2-CZ3 4.43Å; V506-I566 HydrophobicContact CG2-CD1 3.74Å
507	N	90.3	Very high	89.7	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	12	-170.1	62.2	16.9	0	0	0	114.3	L420 T427 L431 Y504 S505 M548 G549 L550	L420-N507 HydrophobicContact CD2-CB 4.13Å; T427-N507 HydrophobicContact CG2-CB 3.52Å; L431-N507 VanDerWaalsContact CD2-O 3.29Å; L431-N507 WeakPolarHBondContact CD2-O 3.45Å; Y504-N507 WeakPolarHBondContact O-CB 3.41Å; Y504-N507 PolarHBondContact O-N 3.13Å; S505-N507 PolarHBondContact O-N 3.3Å; N507-M548 PolarHBondContact N-O 3.01Å; N507-G549 WeakPolarHBondContact OD1-CA 3.48Å; N507-L550 PolarHBondContact ND2-O 2.56Å; N507-L550 PolarHBondContact OD1-N 3.25Å
508	L	86.4	Confident	89.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	9.6	166.3	-78.7	179.1	0	0	0	112	L409 F462 L466 M548 L550	L409-L508 HydrophobicContact CD1-CD2 3.59Å; L409-L508 HydrophobicContact CD2-CD2 4.25Å; L409-L508 HydrophobicContact CG-CD2 3.81Å; F462-L508 HydrophobicContact CD1-CD1 3.79Å; F462-L508 HydrophobicContact CD1-CD2 4.44Å; F462-L508 HydrophobicContact CE1-CD1 4.02Å; F462-L508 HydrophobicContact CE1-CD2 4.22Å; L466-L508 HydrophobicContact CD1-CD1 3.47Å; L466-L508 VanDerWaalsContact CD1-CD1 3.47Å; L508-M548 HydrophobicContact CB-CB 3.52Å; L508-M548 HydrophobicContact CD1-CB 4.11Å; L508-M548 HydrophobicContact CG-CB 4.47Å; L508-M548 PolarHBondContact N-O 3.4Å; L508-L550 HydrophobicContact CD1-CD1 4.02Å; L508-L550 HydrophobicContact CD1-CD2 4.1Å; L508-L550 HydrophobicContact CD1-CG 3.65Å; L508-L550 HydrophobicContact CD2-CD1 4.15Å; L508-L550 HydrophobicContact CG-CD1 4.07Å; L508-L550 HydrophobicContact CG-CG 4Å
509	G	86.8	Confident	88.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.			trans	69.5	-146.2	175.4	0	0	0	0	0	114.4	Y307 V506 M548	Y307-G509 CarbonylContact O-C 3.6Å; Y307-G509 VanDerWaalsContact O-CA 3.29Å; Y307-G509 WeakPolarHBondContact O-CA 3.26Å; V506-G509 WeakPolarHBondContact CG1-O 3.37Å; G509-M548 PolarHBondContact O-N 3.45Å
510	L	92.6	Very high	88.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.8	-172.5	-174.5	67.2	0	0	0	110.3	W282 Y307 I489 I512 I545 T546 F547	W282-L510 HydrophobicContact CZ2-CD2 4.42Å; Y307-L510 HydrophobicContact CD1-CB 3.91Å; Y307-L510 HydrophobicContact CD1-CD2 4.39Å; Y307-L510 PolarHBondContact N-O 3.48Å; Y307-L510 PolarHBondContact O-N 2.94Å; I489-L510 HydrophobicContact CG2-CD2 3.9Å; L510-I512 HydrophobicContact CD2-CD1 3.86Å; L510-I512 HydrophobicContact CD2-CG1 4.14Å; L510-I512 HydrophobicContact CG-CD1 4.34Å; L510-I512 HydrophobicContact CG-CG1 4.07Å; L510-I545 HydrophobicContact CD1-CG2 3.48Å; L510-I545 VanDerWaalsContact CD1-CG2 3.48Å; L510-I545 HydrophobicContact CG-CG2 4.44Å; L510-T546 WeakPolarHBondContact CD1-O 3.44Å; L510-F547 HydrophobicContact CD1-CD1 3.86Å; L510-F547 HydrophobicContact CD1-CD2 4.26Å; L510-F547 HydrophobicContact CD1-CE1 3.71Å; L510-F547 HydrophobicContact CD1-CE2 4.11Å; L510-F547 HydrophobicContact CD1-CG 4.14Å; L510-F547 HydrophobicContact CD1-CZ 3.84Å
511	R	92.3	Very high	87.9	Confident	8 Å²	8	16 Å²	16	3%	0.03	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.5	171.2	-177.3	171.2	169.2	-137.8	10.1	110.8	D191 Y193 E304 I305 T546 M548	D191-R511 VanDerWaalsContact CG-CZ 3.48Å; D191-R511 IonicContact OD1-CZ 3.87Å; D191-R511 IonicContact OD1-NH1 3.78Å; D191-R511 PolarHBondContact OD1-NH1 3.3Å; D191-R511 IonicContact OD1-NH2 3.27Å; D191-R511 PolarHBondContact OD1-NH2 3.05Å; D191-R511 IonicContact OD2-CZ 3.92Å; D191-R511 IonicContact OD2-NH1 3.8Å; D191-R511 PolarHBondContact OD2-NH1 2.94Å; D191-R511 IonicContact OD2-NH2 2.98Å; Y193-R511 PolarHBondContact OH-NH1 3.1Å; E304-R511 HydrophobicContact CG-CG 4.4Å; E304-R511 IonicContact OE1-CZ 3.22Å; E304-R511 IonicContact OE1-NE 3.62Å; E304-R511 PolarHBondContact OE1-NE 2.8Å; E304-R511 IonicContact OE1-NH2 3.53Å; E304-R511 PolarHBondContact OE1-NH2 3.36Å; I305-R511 CarbonylContact O-C 3.45Å; I305-R511 VanDerWaalsContact O-CA 3.31Å; I305-R511 WeakPolarHBondContact O-CA 3.33Å; R511-T546 PolarHBondContact N-O 3.27Å; R511-T546 PolarHBondContact O-N 3.43Å; R511-M548 HydrophobicContact CB-CE 3.91Å
512	I	94.4	Very high	87.2	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.7	-179.3	-50.7	165.8	0	0	0	109.6	W282 E304 I305 F482 I486 L510 F514 A543 H544 I545	W282-I512 HydrophobicContact CH2-CD1 3.94Å; E304-I512 CarbonylContact C-O 3.56Å; E304-I512 VanDerWaalsContact CA-O 3.3Å; E304-I512 WeakPolarHBondContact CA-O 3.49Å; I305-I512 HydrophobicContact CB-CB 4.13Å; I305-I512 HydrophobicContact CD1-CB 4.42Å; I305-I512 HydrophobicContact CD1-CD1 4.37Å; I305-I512 PolarHBondContact N-O 2.8Å; I305-I512 PolarHBondContact O-N 3.46Å; F482-I512 HydrophobicContact CE2-CD1 4.18Å; F482-I512 HydrophobicContact CE2-CG2 3.96Å; F482-I512 HydrophobicContact CZ-CD1 3.98Å; F482-I512 HydrophobicContact CZ-CG2 4.34Å; I486-I512 HydrophobicContact CD1-CD1 3.48Å; I486-I512 VanDerWaalsContact CD1-CD1 3.48Å; L510-I512 HydrophobicContact CD2-CD1 3.86Å; L510-I512 HydrophobicContact CD2-CG1 4.14Å; L510-I512 HydrophobicContact CG-CD1 4.34Å; L510-I512 HydrophobicContact CG-CG1 4.07Å; I512-F514 HydrophobicContact CG2-CE2 3.98Å; I512-F514 HydrophobicContact CG2-CZ 4.03Å; I512-A543 HydrophobicContact CG2-CB 4.37Å; I512-H544 CarbonylContact C-O 3.55Å; I512-H544 VanDerWaalsContact CA-O 3.24Å; I512-H544 WeakPolarHBondContact CA-O 3.46Å; I512-I545 HydrophobicContact CG1-CG1 4.39Å; I512-I545 HydrophobicContact CG2-CG1 4.36Å
513	Q	92.7	Very high	86.5	Confident	8 Å²	8	8 Å²	8	4%	0.037	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.6	174.3	-64.3	178.3	-35.6	0	0	110.3	E304 A543 H544	E304-Q513 HydrophobicContact CB-CG 4.42Å; E304-Q513 HydrophobicContact CG-CG 4.22Å; E304-Q513 PolarHBondContact OE1-NE2 2.76Å; Q513-A543 CarbonylContact O-C 3.31Å; Q513-A543 WeakPolarHBondContact O-CA 3.39Å; Q513-H544 HydrophobicContact CB-CB 4.47Å; Q513-H544 PolarHBondContact N-O 3.5Å; Q513-H544 PolarHBondContact O-N 2.87Å
514	F	92.3	Very high	85.5	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.7	179	-65.3	-89.6	0	0	0	111.3	G212 L293 I297 I303 I305 F482 I512 L541 L542 A543	G212-F514 WeakPolarHBondContact CA-O 3.24Å; L293-F514 HydrophobicContact CD1-CE2 3.94Å; L293-F514 HydrophobicContact CD1-CZ 4.3Å; L293-F514 HydrophobicContact CD2-CE2 4.41Å; L293-F514 HydrophobicContact CD2-CZ 3.98Å; I297-F514 HydrophobicContact CD1-CB 4.4Å; I297-F514 HydrophobicContact CD1-CD1 3.66Å; I297-F514 HydrophobicContact CD1-CD2 4.05Å; I297-F514 HydrophobicContact CD1-CE1 3.83Å; I297-F514 HydrophobicContact CD1-CE2 4.22Å; I297-F514 HydrophobicContact CD1-CG 3.76Å; I297-F514 HydrophobicContact CD1-CZ 4.11Å; I297-F514 HydrophobicContact CG1-CB 4.35Å; I297-F514 HydrophobicContact CG1-CD1 4.48Å; I297-F514 HydrophobicContact CG1-CD2 4.26Å; I297-F514 HydrophobicContact CG1-CG 4.11Å; I303-F514 HydrophobicContact CB-CD2 4.25Å; I303-F514 HydrophobicContact CG2-CD2 4.1Å; I303-F514 PolarHBondContact O-N 3.02Å; I305-F514 HydrophobicContact CD1-CE2 3.89Å; I305-F514 HydrophobicContact CD1-CZ 4.37Å; F482-F514 HydrophobicContact CD1-CZ 4.5Å; F482-F514 HydrophobicContact CD2-CE1 4.04Å; F482-F514 HydrophobicContact CD2-CZ 4.09Å; F482-F514 HydrophobicContact CE1-CZ 4.08Å; F482-F514 HydrophobicContact CE2-CE1 4.01Å; F482-F514 AromaticContact CE2-CZ 3.62Å; F482-F514 HydrophobicContact CE2-CZ 3.62Å; F482-F514 HydrophobicContact CG-CE1 4.44Å; F482-F514 HydrophobicContact CZ-CE1 4.38Å; F482-F514 AromaticContact CZ-CZ 3.61Å; F482-F514 HydrophobicContact CZ-CZ 3.61Å; I512-F514 HydrophobicContact CG2-CE2 3.98Å; I512-F514 HydrophobicContact CG2-CZ 4.03Å; F514-L541 HydrophobicContact CB-CD1 4.17Å; F514-L541 HydrophobicContact CD1-CD1 4.16Å; F514-L541 HydrophobicContact CD1-CD2 4.46Å; F514-L541 HydrophobicContact CD1-CG 4.31Å; F514-L542 VanDerWaalsContact CA-O 3.3Å; F514-L542 WeakPolarHBondContact CA-O 3.45Å; F514-A543 HydrophobicContact CD1-CB 4.08Å; F514-A543 HydrophobicContact CE1-CB 3.78Å; F514-A543 HydrophobicContact CZ-CB 4.5Å
515	T	90.6	Very high	84.3	Confident	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	165.8	171.7	73	0	0	0	0	111.2	G209 L542 H544	G209-T515 VanDerWaalsContact O-CG2 3.24Å; G209-T515 WeakPolarHBondContact O-CG2 3.47Å; T515-L542 PolarHBondContact N-O 3.21Å; T515-L542 PolarHBondContact O-N 3.24Å; T515-H544 WeakPolarHBondContact CG2-NE2 3.37Å; T515-H544 PolarHBondContact OG1-NE2 2.98Å
516	C	86.4	Confident	83.2	Confident	14 Å²	14	6.7 Å²	6.7	10%	0.095	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	171.4	166.7	58.5	0	0	0	0	111.1	P213 G219 G220 K538 L540	P213-C516 HydrophobicContact CB-CB 4.4Å; P213-C516 HydrophobicContact CG-CB 4.33Å; G219-C516 VanDerWaalsContact CA-SG 3.57Å; G220-C516 WeakPolarHBondContact CA-O 3.45Å; G220-C516 PolarHBondContact N-O 2.98Å; G220-C516 PolarHBondContact N-SG 3.46Å; G220-C516 VanDerWaalsContact N-SG 3.37Å; C516-K538 WeakPolarHBondContact CB-O 3.33Å; C516-L540 CarbonylContact C-O 3.42Å; C516-L540 VanDerWaalsContact C-O 3.31Å; C516-L540 VanDerWaalsContact CA-O 3.31Å; C516-L540 WeakPolarHBondContact CA-O 3.24Å
517	G	83.5	Confident	81.5	Confident	3 Å²	3	6.5 Å²	6.5	3%	0.031	4%	0.039	C	C	.	.			trans	-63	154.1	173.6	0	0	0	0	0	112	G220 R537 K538 L540	G220-G517 PolarHBondContact N-O 3.4Å; G517-R537 VanDerWaalsContact CA-O 3.3Å; G517-R537 WeakPolarHBondContact CA-O 3.38Å; G517-K538 PolarHBondContact N-O 2.65Å; G517-L540 PolarHBondContact N-O 3.44Å
518	T	81.7	Confident	79.9	Confident	5 Å²	5	8.7 Å²	8.7	3%	0.031	5%	0.05	C	C	.	.			trans	-113.7	149.8	178.3	171.1	0	0	0	0	110.5	C221 D224 N520 G521 L524	C221-T518 HydrophobicContact CB-CG2 4.23Å; C221-T518 WeakPolarHBondContact SG-CG2 3.36Å; D224-T518 VanDerWaalsContact CG-OG1 3.3Å; D224-T518 PolarHBondContact OD1-OG1 3.1Å; D224-T518 WeakPolarHBondContact OD2-CA 3.44Å; D224-T518 WeakPolarHBondContact OD2-CB 3.39Å; D224-T518 PolarHBondContact OD2-OG1 3.29Å; T518-N520 PolarHBondContact O-N 2.98Å; T518-N520 PolarHBondContact OG1-N 3.28Å; T518-G521 VanDerWaalsContact CG2-N 3.29Å; T518-G521 PolarHBondContact O-N 3.01Å; T518-G521 VanDerWaalsContact O-N 3.09Å; T518-L524 HydrophobicContact CG2-CD1 4.49Å
519	N	76.9	Confident	78.3	Confident	49 Å²	49	13.2 Å²	13.2	26%	0.262	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.6	177.8	-55.5	-59.4	0	0	0	112	D224 M248 K538	D224-N519 WeakPolarHBondContact OD1-CB 3.45Å; D224-N519 PolarHBondContact OD1-N 3.13Å; D224-N519 PolarHBondContact OD1-ND2 2.96Å; M248-N519 HydrophobicContact CE-CB 3.66Å; M248-N519 HydrophobicContact SD-CB 3.28Å; M248-N519 WeakPolarHBondContact SD-CB 3.27Å; N519-K538 WeakPolarHBondContact OD1-CE 3.36Å
520	N	78	Confident	76.4	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.4	178.4	-57	-47.4	0	0	0	113.5	T206 T223 M248 V251 S252 T518 H522 L523	T206-N520 HydrophobicContact CG2-CB 4.11Å; T223-N520 WeakPolarHBondContact CB-ND2 3.48Å; T223-N520 PolarHBondContact OG1-ND2 3.39Å; M248-N520 PolarHBondContact O-OD1 3.11Å; V251-N520 WeakPolarHBondContact CG2-ND2 3.17Å; S252-N520 VanDerWaalsContact OG-CB 3.26Å; S252-N520 WeakPolarHBondContact OG-CB 3.37Å; T518-N520 PolarHBondContact O-N 2.98Å; T518-N520 PolarHBondContact OG1-N 3.28Å; N520-H522 WeakPolarHBondContact CA-ND1 3.47Å; N520-H522 PolarHBondContact O-N 2.87Å; N520-L523 PolarHBondContact O-N 3.26Å
521	G	71.1	Confident	74	Confident	3 Å²	3	25 Å²	25	3%	0.031	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.1	-21.1	179.2	0	0	0	0	0	113.6	T518 L523 L524 G525 V526	T518-G521 VanDerWaalsContact CG2-N 3.29Å; T518-G521 PolarHBondContact O-N 3.01Å; T518-G521 VanDerWaalsContact O-N 3.09Å; G521-L523 PolarHBondContact O-N 2.8Å; G521-L524 CarbonylContact O-C 3.56Å; G521-L524 WeakPolarHBondContact O-CA 3.38Å; G521-L524 WeakPolarHBondContact O-CB 3.46Å; G521-L524 PolarHBondContact O-N 3.3Å; G521-G525 PolarHBondContact O-N 2.98Å; G521-V526 CarbonylContact C-O 3.55Å; G521-V526 VanDerWaalsContact C-O 3.3Å; G521-V526 PolarHBondContact O-N 3.12Å
522	H	72.1	Confident	71.6	Confident	18 Å²	18	32.1 Å²	32.1	8%	0.083	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.7	-35.2	172.8	68.1	-84.1	0	0	0	113.4	N520 L524 G525 L599 T602	N520-H522 WeakPolarHBondContact CA-ND1 3.47Å; N520-H522 PolarHBondContact O-N 2.87Å; H522-L524 VanDerWaalsContact C-N 3.34Å; H522-G525 WeakPolarHBondContact O-CA 3.46Å; H522-G525 PolarHBondContact O-N 2.94Å; H522-L599 WeakPolarHBondContact O-CD2 3.42Å; H522-T602 HydrophobicContact CB-CG2 4.39Å; H522-T602 PolarHBondContact CD2-O 3.48Å; H522-T602 VanDerWaalsContact CD2-O 3.28Å
523	L	77.1	Confident	69.2	Low	1 Å²	1	37 Å²	37	1%	0.005	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-79.9	-17	177	-78.9	158.8	0	0	0	114.3	S252 N520 G521 G525 W581 L599 L606 F628	S252-L523 WeakPolarHBondContact O-CD1 2.97Å; N520-L523 PolarHBondContact O-N 3.26Å; G521-L523 PolarHBondContact O-N 2.8Å; L523-G525 VanDerWaalsContact C-N 3.27Å; L523-W581 PolarHBondContact O-NE1 2.98Å; L523-L599 HydrophobicContact CD2-CD1 4.47Å; L523-L599 HydrophobicContact CD2-CD2 4.08Å; L523-L606 HydrophobicContact CD1-CD2 4.25Å; L523-L606 HydrophobicContact CD2-CD2 3.89Å; L523-F628 HydrophobicContact CD2-CE1 3.89Å; L523-F628 HydrophobicContact CD2-CZ 3.95Å
524	L	73.3	Confident	67.1	Low	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-81.3	-13.6	163.8	-65.1	173	0	0	0	111.2	T206 P208 T518 G521 H522 V526 M578	T206-L524 HydrophobicContact CG2-CD1 4.02Å; T206-L524 HydrophobicContact CG2-CG 3.93Å; T206-L524 WeakPolarHBondContact O-CD2 3.49Å; P208-L524 HydrophobicContact CG-CD1 4.38Å; T518-L524 HydrophobicContact CG2-CD1 4.49Å; G521-L524 CarbonylContact O-C 3.56Å; G521-L524 WeakPolarHBondContact O-CA 3.38Å; G521-L524 WeakPolarHBondContact O-CB 3.46Å; G521-L524 PolarHBondContact O-N 3.3Å; H522-L524 VanDerWaalsContact C-N 3.34Å; L524-V526 HydrophobicContact CB-CB 4.32Å; L524-V526 HydrophobicContact CB-CG2 3.53Å; L524-M578 WeakPolarHBondContact O-CB 3.3Å; L524-M578 WeakPolarHBondContact O-CE 3.47Å; L524-M578 WeakPolarHBondContact O-CG 3.37Å
525	G	68	Low	64.7	Low	7 Å²	7	52.3 Å²	52.3	7%	0.072	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	20.6	-171.6	0	0	0	0	0	114.3	G521 H522 L523 M578	G521-G525 PolarHBondContact O-N 2.98Å; H522-G525 WeakPolarHBondContact O-CA 3.46Å; H522-G525 PolarHBondContact O-N 2.94Å; L523-G525 VanDerWaalsContact C-N 3.27Å; G525-M578 WeakPolarHBondContact O-CG 3.28Å
526	V	69.1	Low	63.2	Low	6 Å²	6	56.9 Å²	56.9	4%	0.036	30%	0.303	C	S	.	.			trans	-110.4	136.3	-171.5	-165.8	0	0	0	0	109.3	T472 E474 G521 L524 L542 M578	T472-V526 HydrophobicContact CG2-CG1 4.14Å; T472-V526 HydrophobicContact CG2-CG2 3.77Å; E474-V526 HydrophobicContact CG-CB 4.49Å; E474-V526 HydrophobicContact CG-CG1 3.35Å; G521-V526 CarbonylContact C-O 3.55Å; G521-V526 VanDerWaalsContact C-O 3.3Å; G521-V526 PolarHBondContact O-N 3.12Å; L524-V526 HydrophobicContact CB-CB 4.32Å; L524-V526 HydrophobicContact CB-CG2 3.53Å; V526-L542 HydrophobicContact CG1-CD1 3.91Å; V526-L542 HydrophobicContact CG1-CD2 3.24Å; V526-L542 HydrophobicContact CG1-CG 4.17Å; V526-M578 HydrophobicContact CG2-CB 4.21Å; V526-M578 HydrophobicContact CG2-CG 4.36Å
527	G	57.1	Low	62	Low	6 Å²	6	60 Å²	60	6%	0.062	31%	0.313	C	S	.	.	S	Bend	trans	88.5	33.8	-174.7	0	0	0	0	0	114.5	E474	E474-G527 WeakPolarHBondContact OE1-CA 3.27Å; E474-G527 PolarHBondContact OE1-N 2.83Å; E474-G527 WeakPolarHBondContact OE2-CA 3.31Å
528	L	56.8	Low	61	Low	49 Å²	49	63.6 Å²	63.6	26%	0.257	33%	0.328	S	S	.	.			trans	-121.2	-9.6	-167.1	-60.5	-179.9	0	0	0	115.5	E474 S530 A598 T602	E474-L528 PolarHBondContact OE1-N 3.23Å; L528-S530 VanDerWaalsContact C-N 3.3Å; L528-S530 PolarHBondContact O-N 3.02Å; L528-A598 HydrophobicContact CD1-CB 4.2Å; L528-A598 WeakPolarHBondContact CD1-O 3.29Å; L528-T602 HydrophobicContact CD1-CG2 4.09Å; L528-T602 HydrophobicContact CD2-CG2 3.49Å; L528-T602 VanDerWaalsContact CD2-CG2 3.49Å; L528-T602 HydrophobicContact CG-CG2 4.47Å
529	E	51.9	Low	60.5	Low	96 Å²	96	68.9 Å²	68.9	45%	0.449	36%	0.356	S	S	.	.	S	Bend	trans	-73.6	-16.8	-178.9	-77.7	-171	171.2	0	0	114.1	R481 T576	R481-E529 IonicContact CZ-OE2 3.37Å; R481-E529 IonicContact NH1-OE2 3.33Å; R481-E529 PolarHBondContact NH1-OE2 2.88Å; E529-T576 HydrophobicContact CG-CG2 4.49Å; E529-T576 VanDerWaalsContact OE1-CG2 3.3Å; E529-T576 WeakPolarHBondContact OE1-CG2 3.31Å; E529-T576 PolarHBondContact OE1-N 3.18Å; E529-T576 WeakPolarHBondContact OE2-CG2 3.24Å
530	S	46.8	Very low	60.7	Low	73 Å²	73	68.8 Å²	68.8	51%	0.51	36%	0.355	S	S	.	.			trans	-103.4	123.2	177.4	62.2	0	0	0	0	112.2	L528 E532	L528-S530 VanDerWaalsContact C-N 3.3Å; L528-S530 PolarHBondContact O-N 3.02Å; S530-E532 PolarHBondContact O-N 2.99Å; S530-E532 VanDerWaalsContact O-N 3.1Å
531	D	42.9	Very low	61.2	Low	177 Å²	177	69.5 Å²	69.5	95%	0.947	36%	0.359	S	S	*	.			trans	-65.6	0.3	167	-75.1	-38.1	0	0	0	112.9
532	E	41.4	Very low	62.1	Low	157 Å²	157	69.5 Å²	69.5	73%	0.734	36%	0.358	S	S	*	.	S	Bend	trans	-72.2	142.6	179.4	-75.7	-164.9	163.9	0	0	111.4	S530	S530-E532 PolarHBondContact O-N 2.99Å; S530-E532 VanDerWaalsContact O-N 3.1Å
533	P	43.1	Very low	63.2	Low	102 Å²	102	68.7 Å²	68.7	66%	0.662	35%	0.354	S	S	*	.			trans	-55.8	145.2	-166	22.1	-32.6	0	0	0	111	L535	P533-L535 CarbonylContact O-C 3.5Å; P533-L535 VanDerWaalsContact O-C 3.22Å; P533-L535 WeakPolarHBondContact O-CA 3.37Å; P533-L535 PolarHBondContact O-N 2.92Å
534	K	49.1	Very low	63.9	Low	172 Å²	172	68.8 Å²	68.8	75%	0.748	36%	0.355	S	S	*	.	S	Bend	trans	-38.2	-12.8	-178.4	-66.2	174.4	177.9	175.8	0	118.2	D536	K534-D536 PolarHBondContact O-N 3.47Å
535	L	42.8	Very low	65	Low	157 Å²	157	68.7 Å²	68.7	82%	0.822	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	91.1	164.1	-80.3	80.2	0	0	0	107.3	P533	P533-L535 CarbonylContact O-C 3.5Å; P533-L535 VanDerWaalsContact O-C 3.22Å; P533-L535 WeakPolarHBondContact O-CA 3.37Å; P533-L535 PolarHBondContact O-N 2.92Å
536	D	57.5	Low	66.2	Low	97 Å²	97	68.6 Å²	68.6	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn		-167.5	49.7	76.9	-149.5	-5.3	0	0	0	110	K534 K538 N539	K534-D536 PolarHBondContact O-N 3.47Å; D536-K538 PolarHBondContact O-N 3.09Å; D536-N539 HydrophobicContact CB-CB 4.34Å; D536-N539 WeakPolarHBondContact O-CB 3.43Å; D536-N539 PolarHBondContact O-N 3.17Å; D536-N539 PolarHBondContact OD1-ND2 3.27Å; D536-N539 VanDerWaalsContact OD1-ND2 3.14Å; D536-N539 PolarHBondContact OD2-ND2 2.63Å
537	R	61.7	Low	67.4	Low	78 Å²	78	68.3 Å²	68.3	29%	0.294	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-53.8	-30.4	-171.3	-71.7	-177.3	176.2	177.9	-3	113.7	G517 N539 L540	G517-R537 VanDerWaalsContact CA-O 3.3Å; G517-R537 WeakPolarHBondContact CA-O 3.38Å; R537-N539 PolarHBondContact O-N 2.88Å; R537-L540 HydrophobicContact CB-CD1 4.46Å; R537-L540 WeakPolarHBondContact O-CB 3.35Å; R537-L540 WeakPolarHBondContact O-CG 3.01Å; R537-L540 PolarHBondContact O-N 3.39Å
538	K	63	Low	68.9	Low	80 Å²	80	68.1 Å²	68.1	35%	0.348	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-66.5	-23.2	177.1	-67.8	-167.2	177.3	-160.8	0	113.3	Y218 C516 G517 N519 D536 L540	Y218-K538 WeakPolarHBondContact O-CE 3.49Å; Y218-K538 PolarHBondContact O-NZ 3.12Å; C516-K538 WeakPolarHBondContact CB-O 3.33Å; G517-K538 PolarHBondContact N-O 2.65Å; N519-K538 WeakPolarHBondContact OD1-CE 3.36Å; D536-K538 PolarHBondContact O-N 3.09Å; K538-L540 VanDerWaalsContact C-N 3.31Å
539	N	70.8	Confident	70.5	Confident	116 Å²	116	65.8 Å²	65.8	62%	0.62	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-87.4	-3.4	179.3	-70.4	-5.5	0	0	0	112.9	D536 R537	D536-N539 HydrophobicContact CB-CB 4.34Å; D536-N539 WeakPolarHBondContact O-CB 3.43Å; D536-N539 PolarHBondContact O-N 3.17Å; D536-N539 PolarHBondContact OD1-ND2 3.27Å; D536-N539 VanDerWaalsContact OD1-ND2 3.14Å; D536-N539 PolarHBondContact OD2-ND2 2.63Å; R537-N539 PolarHBondContact O-N 2.88Å
540	L	80.5	Confident	72.3	Confident	46 Å²	46	61.4 Å²	61.4	24%	0.241	32%	0.316	C	S	.	.			trans	-64.9	139.5	169.6	-65.4	170.4	0	0	0	110	C516 G517 R537 K538 L542	C516-L540 CarbonylContact C-O 3.42Å; C516-L540 VanDerWaalsContact C-O 3.31Å; C516-L540 VanDerWaalsContact CA-O 3.31Å; C516-L540 WeakPolarHBondContact CA-O 3.24Å; G517-L540 PolarHBondContact N-O 3.44Å; R537-L540 HydrophobicContact CB-CD1 4.46Å; R537-L540 WeakPolarHBondContact O-CB 3.35Å; R537-L540 WeakPolarHBondContact O-CG 3.01Å; R537-L540 PolarHBondContact O-N 3.39Å; K538-L540 VanDerWaalsContact C-N 3.31Å; L540-L542 HydrophobicContact CB-CD2 4.31Å
541	L	88.7	Confident	74.2	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.089	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.6	171.8	179.7	62.8	0	0	0	108.6	P213 I297 T475 L479 F514	P213-L541 HydrophobicContact CG-CD1 3.76Å; I297-L541 HydrophobicContact CD1-CD2 4.09Å; I297-L541 HydrophobicContact CG2-CD1 3.89Å; I297-L541 HydrophobicContact CG2-CD2 4.17Å; T475-L541 HydrophobicContact CG2-CB 3.8Å; T475-L541 HydrophobicContact CG2-CD2 3.58Å; T475-L541 HydrophobicContact CG2-CG 3.49Å; T475-L541 VanDerWaalsContact CG2-CG 3.49Å; T475-L541 WeakPolarHBondContact CG2-O 3.27Å; T475-L541 PolarHBondContact N-O 3.1Å; L479-L541 HydrophobicContact CD2-CD2 3.58Å; F514-L541 HydrophobicContact CB-CD1 4.17Å; F514-L541 HydrophobicContact CD1-CD1 4.16Å; F514-L541 HydrophobicContact CD1-CD2 4.46Å; F514-L541 HydrophobicContact CD1-CG 4.31Å
542	L	91.6	Very high	76.1	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.3	-179.6	-53.7	-170.3	0	0	0	109.7	T472 M473 E474 F514 T515 V526 L540	T472-L542 HydrophobicContact CG2-CB 4.2Å; T472-L542 HydrophobicContact CG2-CD1 4.32Å; M473-L542 WeakPolarHBondContact O-CA 3.11Å; E474-L542 HydrophobicContact CG-CD2 4.07Å; F514-L542 VanDerWaalsContact CA-O 3.3Å; F514-L542 WeakPolarHBondContact CA-O 3.45Å; T515-L542 PolarHBondContact N-O 3.21Å; T515-L542 PolarHBondContact O-N 3.24Å; V526-L542 HydrophobicContact CG1-CD1 3.91Å; V526-L542 HydrophobicContact CG1-CD2 3.24Å; V526-L542 HydrophobicContact CG1-CG 4.17Å; L540-L542 HydrophobicContact CB-CD2 4.31Å
543	A	93.2	Very high	77.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.6	170	0	0	0	0	0	109.5	T472 M473 F482 I512 Q513 F514	T472-A543 CarbonylContact C-O 3.49Å; T472-A543 WeakPolarHBondContact CA-O 3.46Å; M473-A543 HydrophobicContact CG-CB 3.86Å; M473-A543 PolarHBondContact N-O 3.41Å; M473-A543 PolarHBondContact O-N 3.45Å; F482-A543 HydrophobicContact CD2-CB 3.88Å; F482-A543 HydrophobicContact CE2-CB 4.09Å; I512-A543 HydrophobicContact CG2-CB 4.37Å; Q513-A543 CarbonylContact O-C 3.31Å; Q513-A543 WeakPolarHBondContact O-CA 3.39Å; F514-A543 HydrophobicContact CD1-CB 4.08Å; F514-A543 HydrophobicContact CE1-CB 3.78Å; F514-A543 HydrophobicContact CZ-CB 4.5Å
544	H	93.4	Very high	79.3	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.6	178.1	-53	-62.3	0	0	0	109.3	P208 F471 T472 I512 Q513 T515	P208-H544 WeakPolarHBondContact CB-CE1 3.16Å; P208-H544 WeakPolarHBondContact CB-ND1 3.44Å; P208-H544 VanDerWaalsContact CG-ND1 3.34Å; P208-H544 WeakPolarHBondContact CG-ND1 3.32Å; F471-H544 CarbonylContact O-C 3.45Å; F471-H544 WeakPolarHBondContact O-CA 2.87Å; T472-H544 VanDerWaalsContact CG2-CE1 3.44Å; T472-H544 WeakPolarHBondContact CG2-CE1 3.38Å; T472-H544 WeakPolarHBondContact CG2-ND1 3.2Å; T472-H544 PolarHBondContact OG1-ND1 3.04Å; I512-H544 CarbonylContact C-O 3.55Å; I512-H544 VanDerWaalsContact CA-O 3.24Å; I512-H544 WeakPolarHBondContact CA-O 3.46Å; Q513-H544 HydrophobicContact CB-CB 4.47Å; Q513-H544 PolarHBondContact N-O 3.5Å; Q513-H544 PolarHBondContact O-N 2.87Å; T515-H544 WeakPolarHBondContact CG2-NE2 3.37Å; T515-H544 PolarHBondContact OG1-NE2 2.98Å
545	I	94.6	Very high	80.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.8	-169.2	-56.5	173.3	0	0	0	108.1	K470 F471 M473 I489 L510 I512 F547 M570	K470-I545 WeakPolarHBondContact CA-O 3.34Å; F471-I545 HydrophobicContact CB-CB 4.5Å; F471-I545 PolarHBondContact N-O 2.79Å; F471-I545 PolarHBondContact O-N 2.83Å; M473-I545 HydrophobicContact CG-CD1 4.13Å; M473-I545 HydrophobicContact SD-CD1 3.9Å; I489-I545 HydrophobicContact CD1-CD1 3.75Å; I489-I545 HydrophobicContact CD1-CG2 4.04Å; L510-I545 HydrophobicContact CD1-CG2 3.48Å; L510-I545 VanDerWaalsContact CD1-CG2 3.48Å; L510-I545 HydrophobicContact CG-CG2 4.44Å; I512-I545 HydrophobicContact CG1-CG1 4.39Å; I512-I545 HydrophobicContact CG2-CG1 4.36Å; I545-F547 HydrophobicContact CG2-CD2 4.47Å; I545-F547 HydrophobicContact CG2-CE2 3.81Å; I545-F547 HydrophobicContact CG2-CZ 4.22Å; I545-M570 HydrophobicContact CD1-CE 4.1Å; I545-M570 HydrophobicContact CG2-CE 4.41Å
546	T	93.5	Very high	82.9	Confident	5 Å²	5	36 Å²	36	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.2	-177.6	-54.6	0	0	0	0	111.6	Y193 I468 L469 K470 L510 R511 M548	Y193-T546 HydrophobicContact CE2-CG2 4.08Å; Y193-T546 VanDerWaalsContact OH-CB 3.3Å; Y193-T546 WeakPolarHBondContact OH-CB 3.45Å; Y193-T546 WeakPolarHBondContact OH-CG2 3.32Å; Y193-T546 PolarHBondContact OH-OG1 3.36Å; I468-T546 HydrophobicContact CG2-CG2 3.25Å; L469-T546 CarbonylContact O-C 3.59Å; L469-T546 VanDerWaalsContact O-CA 3.31Å; L469-T546 WeakPolarHBondContact O-CA 3.36Å; K470-T546 HydrophobicContact CG-CG2 3.98Å; L510-T546 WeakPolarHBondContact CD1-O 3.44Å; R511-T546 PolarHBondContact N-O 3.27Å; R511-T546 PolarHBondContact O-N 3.43Å; T546-M548 HydrophobicContact CG2-CG 3.96Å
547	F	94.2	Very high	84.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.5	169.5	-57.9	-97.7	0	0	0	109.3	I468 L469 F471 I489 L493 V506 L510 I545 I566 M570	I468-F547 WeakPolarHBondContact CA-O 3.11Å; L469-F547 HydrophobicContact CB-CB 4.19Å; L469-F547 HydrophobicContact CB-CD2 4.32Å; L469-F547 PolarHBondContact N-O 2.97Å; L469-F547 PolarHBondContact O-N 3.19Å; F471-F547 HydrophobicContact CD2-CD2 4.08Å; F471-F547 AromaticContact CD2-CE2 3.94Å; F471-F547 HydrophobicContact CD2-CE2 3.94Å; F471-F547 AromaticContact CE2-CD2 3.9Å; F471-F547 HydrophobicContact CE2-CD2 3.9Å; F471-F547 AromaticContact CE2-CE2 3.94Å; F471-F547 HydrophobicContact CE2-CE2 3.94Å; I489-F547 HydrophobicContact CD1-CZ 4.46Å; I489-F547 HydrophobicContact CG1-CZ 4.16Å; I489-F547 HydrophobicContact CG2-CE1 3.75Å; I489-F547 HydrophobicContact CG2-CZ 3.65Å; L493-F547 HydrophobicContact CD2-CD1 4.34Å; L493-F547 HydrophobicContact CD2-CE1 4.23Å; L493-F547 HydrophobicContact CG-CE1 4.48Å; V506-F547 HydrophobicContact CG1-CB 4.32Å; V506-F547 HydrophobicContact CG1-CD1 4.19Å; L510-F547 HydrophobicContact CD1-CD1 3.86Å; L510-F547 HydrophobicContact CD1-CD2 4.26Å; L510-F547 HydrophobicContact CD1-CE1 3.71Å; L510-F547 HydrophobicContact CD1-CE2 4.11Å; L510-F547 HydrophobicContact CD1-CG 4.14Å; L510-F547 HydrophobicContact CD1-CZ 3.84Å; I545-F547 HydrophobicContact CG2-CD2 4.47Å; I545-F547 HydrophobicContact CG2-CE2 3.81Å; I545-F547 HydrophobicContact CG2-CZ 4.22Å; F547-I566 HydrophobicContact CD1-CD1 4.06Å; F547-I566 HydrophobicContact CD2-CG2 3.94Å; F547-I566 HydrophobicContact CE1-CD1 4.41Å; F547-I566 HydrophobicContact CE1-CG2 4.36Å; F547-I566 HydrophobicContact CE2-CG2 3.77Å; F547-I566 HydrophobicContact CG-CD1 4.38Å; F547-I566 HydrophobicContact CG-CG2 4.32Å; F547-I566 HydrophobicContact CZ-CG2 3.99Å; F547-M570 HydrophobicContact CE2-CE 4.36Å; F547-M570 HydrophobicContact CE2-CG 4.46Å; F547-M570 HydrophobicContact CE2-SD 4.27Å; F547-M570 HydrophobicContact CZ-SD 4.3Å
548	M	90.2	Very high	85.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.4	-175.2	-66.1	173.9	-74.6	0	0	111.2	Y193 F462 L466 R467 I468 V506 N507 L508 G509 R511 T546	Y193-M548 HydrophobicContact CD1-SD 3.95Å; Y193-M548 HydrophobicContact CE1-CG 4.35Å; Y193-M548 HydrophobicContact CE1-SD 3.31Å; Y193-M548 WeakPolarHBondContact CE1-SD 3.45Å; F462-M548 HydrophobicContact CZ-SD 4.47Å; L466-M548 HydrophobicContact CD1-CB 4.26Å; R467-M548 WeakPolarHBondContact O-CA 3.38Å; I468-M548 HydrophobicContact CG1-CG 4.48Å; V506-M548 CarbonylContact C-O 3.53Å; V506-M548 WeakPolarHBondContact CA-O 3.08Å; N507-M548 PolarHBondContact N-O 3.01Å; L508-M548 HydrophobicContact CB-CB 3.52Å; L508-M548 HydrophobicContact CD1-CB 4.11Å; L508-M548 HydrophobicContact CG-CB 4.47Å; L508-M548 PolarHBondContact N-O 3.4Å; G509-M548 PolarHBondContact O-N 3.45Å; R511-M548 HydrophobicContact CB-CE 3.91Å; T546-M548 HydrophobicContact CG2-CG 3.96Å
549	G	90.3	Very high	87.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.9	173.7	0	0	0	0	0	111.8	R467 S505 N507	R467-G549 PolarHBondContact N-O 3.37Å; R467-G549 PolarHBondContact O-N 2.68Å; S505-G549 VanDerWaalsContact O-CA 3.28Å; S505-G549 WeakPolarHBondContact O-CA 3.35Å; N507-G549 WeakPolarHBondContact OD1-CA 3.48Å
550	L	89	Confident	88.3	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.1	164.1	-68	171.3	0	0	0	108.3	L409 L420 I421 K463 L466 N507 L508	L409-L550 HydrophobicContact CD1-CD1 3.48Å; L409-L550 VanDerWaalsContact CD1-CD1 3.48Å; L420-L550 HydrophobicContact CD1-CD1 3.82Å; I421-L550 HydrophobicContact CG1-CB 4.17Å; K463-L550 VanDerWaalsContact O-CD2 3.27Å; K463-L550 WeakPolarHBondContact O-CD2 3.29Å; L466-L550 HydrophobicContact CD1-CD2 4.15Å; N507-L550 PolarHBondContact ND2-O 2.56Å; N507-L550 PolarHBondContact OD1-N 3.25Å; L508-L550 HydrophobicContact CD1-CD1 4.02Å; L508-L550 HydrophobicContact CD1-CD2 4.1Å; L508-L550 HydrophobicContact CD1-CG 3.65Å; L508-L550 HydrophobicContact CD2-CD1 4.15Å; L508-L550 HydrophobicContact CG-CD1 4.07Å; L508-L550 HydrophobicContact CG-CG 4Å
551	T	87	Confident	88.8	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.025	17%	0.169	C	C	.	.			trans	-127.6	172.3	-178.7	59.5	0	0	0	0	110.1	I421 P465 R467 N556 W559	I421-T551 VanDerWaalsContact CD1-O 3.27Å; I421-T551 WeakPolarHBondContact CD1-O 3.38Å; P465-T551 WeakPolarHBondContact CD-O 3.22Å; P465-T551 WeakPolarHBondContact CG-O 3.42Å; P465-T551 PolarHBondContact O-N 2.8Å; R467-T551 HydrophobicContact CG-CG2 3.87Å; R467-T551 VanDerWaalsContact CG-OG1 3.31Å; R467-T551 WeakPolarHBondContact CG-OG1 3.24Å; T551-N556 HydrophobicContact CG2-CB 4.15Å; T551-W559 HydrophobicContact CG2-CB 3.88Å; T551-W559 HydrophobicContact CG2-CG 4.15Å
552	G	81.4	Confident	89.1	Confident	30 Å²	30	29.5 Å²	29.5	31%	0.309	17%	0.165	S	C	.	.			trans	-69.8	163.3	163	0	0	0	0	0	111.1	G554	G552-G554 PolarHBondContact O-N 3.3Å
553	N	78	Confident	89.3	Confident	146 Å²	146	29.4 Å²	29.4	78%	0.781	16%	0.164	S	C	*	.	S	Bend	trans	-60.4	132	174.3	-78.5	-31.7	0	0	0	111.1	P465	P465-N553 WeakPolarHBondContact CB-OD1 3.49Å; P465-N553 VanDerWaalsContact CG-OD1 3.28Å; P465-N553 WeakPolarHBondContact CG-OD1 3.39Å
554	G	75.2	Confident	89.4	Confident	18 Å²	18	34 Å²	34	19%	0.186	18%	0.184	C	C	.	.	S	Bend	trans	95.2	-154.5	175.1	0	0	0	0	0	114.4	R467 G552	R467-G554 PolarHBondContact NH1-O 3.34Å; G552-G554 PolarHBondContact O-N 3.3Å
555	P	79.3	Confident	89.5	Confident	63 Å²	63	36.6 Å²	36.6	41%	0.409	20%	0.196	S	C	.	.			trans	-67.6	134.1	-177.3	32	-39.8	0	0	0	111.4	T80 P83	T80-P555 WeakPolarHBondContact O-CA 3.43Å; P83-P555 HydrophobicContact CB-CB 3.83Å; P83-P555 HydrophobicContact CB-CG 3.73Å; P83-P555 HydrophobicContact CG-CB 3.81Å; P83-P555 HydrophobicContact CG-CG 4.25Å
556	N	87.8	Confident	89.6	Confident	42 Å²	42	36.6 Å²	36.6	23%	0.225	20%	0.196	C	C	.	.			trans	-128.6	115.3	174.1	-176.9	-59.9	0	0	0	109.2	T551 L558 W559 N560	T551-N556 HydrophobicContact CG2-CB 4.15Å; N556-L558 PolarHBondContact OD1-N 2.77Å; N556-L558 VanDerWaalsContact OD1-N 3.16Å; N556-W559 HydrophobicContact CB-CB 4.04Å; N556-W559 PolarHBondContact OD1-N 3.18Å; N556-N560 VanDerWaalsContact O-CB 3.3Å; N556-N560 WeakPolarHBondContact O-CB 3.42Å; N556-N560 PolarHBondContact O-N 3.27Å; N556-N560 PolarHBondContact O-ND2 2.8Å; N556-N560 PolarHBondContact O-OD1 2.9Å
557	K	89.1	Confident	89.7	Confident	162 Å²	162	36.4 Å²	36.4	70%	0.704	20%	0.195	S	C	*	.	H	α-helix	trans	-64.5	-47.3	-175	-174.9	176.4	178.6	-178.6	0	111.9	W559 N560 D561	K557-W559 PolarHBondContact O-N 3.25Å; K557-N560 PolarHBondContact O-N 3.4Å; K557-D561 WeakPolarHBondContact O-CB 3.41Å; K557-D561 VanDerWaalsContact O-CG 3.24Å; K557-D561 PolarHBondContact O-N 2.8Å
558	L	91.7	Very high	89.8	Confident	60 Å²	60	40.1 Å²	40.1	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-45	-179.4	-65.1	174	0	0	0	111.5	L501 N503 S505 N556 D561 A562	L501-L558 HydrophobicContact CD2-CD2 4.3Å; N503-L558 PolarHBondContact ND2-O 2.83Å; S505-L558 WeakPolarHBondContact OG-CB 3.3Å; N556-L558 PolarHBondContact OD1-N 2.77Å; N556-L558 VanDerWaalsContact OD1-N 3.16Å; L558-D561 PolarHBondContact O-N 3.47Å; L558-A562 WeakPolarHBondContact O-CB 3.11Å; L558-A562 PolarHBondContact O-N 3.32Å
559	W	93	Very high	90	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-46.9	174.3	172.6	-96.7	0	0	0	111.5	R467 L469 S505 V506 T551 N556 K557 D561 A562 A563 E584	R467-W559 HydrophobicContact CB-CD2 3.86Å; R467-W559 HydrophobicContact CB-CE3 4.41Å; R467-W559 HydrophobicContact CB-CG 4.38Å; R467-W559 HydrophobicContact CB-CH2 4.03Å; R467-W559 HydrophobicContact CB-CZ2 3.41Å; R467-W559 VanDerWaalsContact CB-CZ2 3.41Å; R467-W559 HydrophobicContact CB-CZ3 4.49Å; R467-W559 HydrophobicContact CG-CD2 4.37Å; R467-W559 HydrophobicContact CG-CG 4.41Å; R467-W559 VanDerWaalsContact CZ-CD1 3.49Å; R467-W559 VanDerWaalsContact NH2-CD1 3.29Å; L469-W559 HydrophobicContact CD1-CZ2 4.44Å; L469-W559 HydrophobicContact CD2-CZ2 4.37Å; L469-W559 HydrophobicContact CG-CH2 4.25Å; L469-W559 HydrophobicContact CG-CZ2 3.94Å; S505-W559 PolarHBondContact OG-N 2.89Å; S505-W559 VanDerWaalsContact OG-N 3.16Å; V506-W559 HydrophobicContact CG2-CZ3 4.43Å; T551-W559 HydrophobicContact CG2-CB 3.88Å; T551-W559 HydrophobicContact CG2-CG 4.15Å; N556-W559 HydrophobicContact CB-CB 4.04Å; N556-W559 PolarHBondContact OD1-N 3.18Å; K557-W559 PolarHBondContact O-N 3.25Å; W559-D561 VanDerWaalsContact C-N 3.26Å; W559-D561 PolarHBondContact O-N 3.46Å; W559-A562 PolarHBondContact O-N 3.06Å; W559-A563 WeakPolarHBondContact O-CB 3.41Å; W559-A563 PolarHBondContact O-N 2.9Å; W559-E584 PolarHBondContact NE1-OE2 2.92Å
560	N	91.7	Very high	90.3	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-39.2	179.5	-75.7	-10.7	0	0	0	111.9	N81 R467 N556 K557 K564	N81-N560 PolarHBondContact O-ND2 2.87Å; R467-N560 PolarHBondContact NH2-OD1 2.87Å; N556-N560 VanDerWaalsContact O-CB 3.3Å; N556-N560 WeakPolarHBondContact O-CB 3.42Å; N556-N560 PolarHBondContact O-N 3.27Å; N556-N560 PolarHBondContact O-ND2 2.8Å; N556-N560 PolarHBondContact O-OD1 2.9Å; K557-N560 PolarHBondContact O-N 3.4Å; N560-K564 WeakPolarHBondContact O-CB 3.42Å; N560-K564 VanDerWaalsContact O-CG 3.23Å; N560-K564 WeakPolarHBondContact O-CG 3.42Å; N560-K564 PolarHBondContact O-N 3.06Å
561	D	92.9	Very high	90.5	Very high	57 Å²	57	41 Å²	41	31%	0.305	22%	0.22	S	C	.	.	H	α-helix	trans	-69.9	-47.3	178.3	-68.2	-19.3	0	0	0	111.1	K557 L558 W559 A563 K564 Q565	K557-D561 WeakPolarHBondContact O-CB 3.41Å; K557-D561 VanDerWaalsContact O-CG 3.24Å; K557-D561 PolarHBondContact O-N 2.8Å; L558-D561 PolarHBondContact O-N 3.47Å; W559-D561 VanDerWaalsContact C-N 3.26Å; W559-D561 PolarHBondContact O-N 3.46Å; D561-A563 VanDerWaalsContact C-N 3.33Å; D561-A563 PolarHBondContact O-N 2.77Å; D561-K564 PolarHBondContact O-N 3.21Å; D561-Q565 WeakPolarHBondContact O-CG 3.42Å; D561-Q565 PolarHBondContact O-N 3.02Å; D561-Q565 VanDerWaalsContact O-N 3.07Å
562	A	95.1	Very high	90.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-46	174.3	0	0	0	0	0	111.4	L496 L558 W559 K564 Q565 I566	L496-A562 HydrophobicContact CD1-CB 4.04Å; L496-A562 HydrophobicContact CD2-CB 4.17Å; L558-A562 WeakPolarHBondContact O-CB 3.11Å; L558-A562 PolarHBondContact O-N 3.32Å; W559-A562 PolarHBondContact O-N 3.06Å; A562-K564 PolarHBondContact O-N 3.08Å; A562-Q565 PolarHBondContact O-N 3.38Å; A562-I566 WeakPolarHBondContact O-CB 3.41Å; A562-I566 VanDerWaalsContact O-CG1 3.31Å; A562-I566 WeakPolarHBondContact O-CG1 3.35Å; A562-I566 PolarHBondContact O-N 3.14Å
563	A	94.8	Very high	91.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-36.7	-179.3	0	0	0	0	0	112.9	L469 W559 D561 N567 H586	L469-A563 HydrophobicContact CD1-CB 3.7Å; L469-A563 HydrophobicContact CD2-CB 4.11Å; L469-A563 HydrophobicContact CG-CB 4.35Å; W559-A563 WeakPolarHBondContact O-CB 3.41Å; W559-A563 PolarHBondContact O-N 2.9Å; D561-A563 VanDerWaalsContact C-N 3.33Å; D561-A563 PolarHBondContact O-N 2.77Å; A563-N567 WeakPolarHBondContact O-CB 3.48Å; A563-N567 PolarHBondContact O-N 2.93Å; A563-N567 PolarHBondContact O-ND2 2.65Å; A563-H586 WeakPolarHBondContact CB-NE2 3.47Å
564	K	94.7	Very high	92	Very high	95 Å²	95	43.6 Å²	43.6	41%	0.413	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-48	171	-79.6	172.1	-179.3	-177.7	0	111	N560 D561 A562 N567 L568 H586	N560-K564 WeakPolarHBondContact O-CB 3.42Å; N560-K564 VanDerWaalsContact O-CG 3.23Å; N560-K564 WeakPolarHBondContact O-CG 3.42Å; N560-K564 PolarHBondContact O-N 3.06Å; D561-K564 PolarHBondContact O-N 3.21Å; A562-K564 PolarHBondContact O-N 3.08Å; K564-N567 PolarHBondContact O-N 3.13Å; K564-L568 VanDerWaalsContact O-CB 3.32Å; K564-L568 WeakPolarHBondContact O-CB 3.48Å; K564-L568 PolarHBondContact O-N 2.91Å; K564-H586 HydrophobicContact CG-CB 4.06Å
565	Q	95.7	Very high	92.5	Very high	60 Å²	60	46.8 Å²	46.8	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-42.6	-179.3	-67.8	-168.5	47.4	0	0	112.7	I492 D561 A562 L568 T569	I492-Q565 HydrophobicContact CD1-CB 4.2Å; D561-Q565 WeakPolarHBondContact O-CG 3.42Å; D561-Q565 PolarHBondContact O-N 3.02Å; D561-Q565 VanDerWaalsContact O-N 3.07Å; A562-Q565 PolarHBondContact O-N 3.38Å; Q565-L568 PolarHBondContact O-N 2.9Å; Q565-T569 WeakPolarHBondContact O-CB 3.38Å; Q565-T569 PolarHBondContact O-N 3.39Å; Q565-T569 PolarHBondContact O-OG1 3.33Å
566	I	96.8	Very high	92.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-51	176.2	-68.7	165.9	0	0	0	110.1	L469 F471 I492 L496 V506 F547 A562 L568 T569 M570	L469-I566 HydrophobicContact CD1-CB 4.04Å; L469-I566 HydrophobicContact CD1-CD1 4.25Å; L469-I566 HydrophobicContact CD1-CG2 3.91Å; F471-I566 HydrophobicContact CE2-CG2 4.01Å; F471-I566 HydrophobicContact CZ-CG2 4.3Å; I492-I566 HydrophobicContact CG1-CG1 4.33Å; L496-I566 HydrophobicContact CD1-CD1 4.21Å; L496-I566 HydrophobicContact CD1-CG1 4.29Å; V506-I566 HydrophobicContact CG2-CD1 3.74Å; F547-I566 HydrophobicContact CD1-CD1 4.06Å; F547-I566 HydrophobicContact CD2-CG2 3.94Å; F547-I566 HydrophobicContact CE1-CD1 4.41Å; F547-I566 HydrophobicContact CE1-CG2 4.36Å; F547-I566 HydrophobicContact CE2-CG2 3.77Å; F547-I566 HydrophobicContact CG-CD1 4.38Å; F547-I566 HydrophobicContact CG-CG2 4.32Å; F547-I566 HydrophobicContact CZ-CG2 3.99Å; A562-I566 WeakPolarHBondContact O-CB 3.41Å; A562-I566 VanDerWaalsContact O-CG1 3.31Å; A562-I566 WeakPolarHBondContact O-CG1 3.35Å; A562-I566 PolarHBondContact O-N 3.14Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 3.03Å; I566-T569 PolarHBondContact O-N 3.37Å; I566-M570 HydrophobicContact CG2-CG 3.89Å; I566-M570 WeakPolarHBondContact O-CB 3.37Å; I566-M570 WeakPolarHBondContact O-CG 3.47Å; I566-M570 PolarHBondContact O-N 2.93Å
567	N	95.4	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-43.8	178.8	-83.6	-73.6	0	0	0	111.9	F471 A563 K564 T569 L571 H586 V587	F471-N567 WeakPolarHBondContact CE1-OD1 3.17Å; F471-N567 VanDerWaalsContact CZ-OD1 3.27Å; F471-N567 WeakPolarHBondContact CZ-OD1 3.49Å; A563-N567 WeakPolarHBondContact O-CB 3.48Å; A563-N567 PolarHBondContact O-N 2.93Å; A563-N567 PolarHBondContact O-ND2 2.65Å; K564-N567 PolarHBondContact O-N 3.13Å; N567-T569 VanDerWaalsContact C-N 3.35Å; N567-T569 PolarHBondContact O-N 2.91Å; N567-L571 VanDerWaalsContact O-CB 3.29Å; N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 WeakPolarHBondContact O-CG 3.38Å; N567-L571 PolarHBondContact O-N 3.42Å; N567-H586 HydrophobicContact CB-CB 4.49Å; N567-V587 HydrophobicContact CB-CG2 3.46Å; N567-V587 VanDerWaalsContact CB-CG2 3.46Å
568	L	95.9	Very high	93.1	Very high	78 Å²	78	34.9 Å²	34.9	41%	0.408	18%	0.181	S	C	.	.	H	α-helix	trans	-59.5	-48.5	177.5	-176.9	66.3	0	0	0	110.5	K564 Q565 I566 T572 I590	K564-L568 VanDerWaalsContact O-CB 3.32Å; K564-L568 WeakPolarHBondContact O-CB 3.48Å; K564-L568 PolarHBondContact O-N 2.91Å; Q565-L568 PolarHBondContact O-N 2.9Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 3.03Å; L568-T572 HydrophobicContact CD1-CG2 4.01Å; L568-T572 VanDerWaalsContact O-CB 3.32Å; L568-T572 WeakPolarHBondContact O-CB 3.3Å; L568-T572 VanDerWaalsContact O-CG2 3.3Å; L568-T572 WeakPolarHBondContact O-CG2 3.31Å; L568-T572 PolarHBondContact O-N 3.27Å; L568-T572 VanDerWaalsContact O-N 3.1Å; L568-T572 PolarHBondContact O-OG1 3.36Å; L568-I590 HydrophobicContact CD1-CD1 3.31Å
569	T	95.9	Very high	93.1	Very high	16 Å²	16	32 Å²	32	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-52.3	-179	-58.2	0	0	0	0	111.5	T488 I492 Q565 I566 N567 L571 T572 K573	T488-T569 HydrophobicContact CG2-CG2 3.72Å; I492-T569 HydrophobicContact CB-CG2 4.48Å; Q565-T569 WeakPolarHBondContact O-CB 3.38Å; Q565-T569 PolarHBondContact O-N 3.39Å; Q565-T569 PolarHBondContact O-OG1 3.33Å; I566-T569 PolarHBondContact O-N 3.37Å; N567-T569 VanDerWaalsContact C-N 3.35Å; N567-T569 PolarHBondContact O-N 2.91Å; T569-L571 VanDerWaalsContact C-N 3.33Å; T569-L571 PolarHBondContact O-N 3.47Å; T569-T572 PolarHBondContact O-N 3.02Å; T569-K573 HydrophobicContact CG2-CB 4.49Å; T569-K573 HydrophobicContact CG2-CD 4.02Å; T569-K573 HydrophobicContact CG2-CG 4.32Å; T569-K573 VanDerWaalsContact O-CB 3.31Å; T569-K573 WeakPolarHBondContact O-CB 3.17Å; T569-K573 PolarHBondContact O-N 2.96Å
570	M	95.7	Very high	93	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-44.7	-178.6	-68.5	-64.3	-70.7	0	0	111.6	F471 I489 I545 F547 I566 I574 C577	F471-M570 HydrophobicContact CB-CE 3.9Å; F471-M570 HydrophobicContact CD1-CB 4.09Å; F471-M570 HydrophobicContact CD1-CE 4.5Å; F471-M570 HydrophobicContact CD1-CG 4.5Å; F471-M570 HydrophobicContact CD2-CE 3.89Å; F471-M570 HydrophobicContact CD2-CG 4.19Å; F471-M570 HydrophobicContact CE1-CB 3.87Å; F471-M570 HydrophobicContact CE1-CG 4.29Å; F471-M570 HydrophobicContact CE2-CB 4.44Å; F471-M570 HydrophobicContact CE2-CG 3.96Å; F471-M570 HydrophobicContact CG-CB 4.47Å; F471-M570 HydrophobicContact CG-CE 3.84Å; F471-M570 HydrophobicContact CG-CG 4.45Å; F471-M570 HydrophobicContact CZ-CB 4.06Å; F471-M570 HydrophobicContact CZ-CG 4.01Å; I489-M570 HydrophobicContact CD1-CE 4Å; I489-M570 HydrophobicContact CD1-SD 3.87Å; I489-M570 HydrophobicContact CG1-CE 4.39Å; I489-M570 HydrophobicContact CG1-SD 3.58Å; I489-M570 VanDerWaalsContact CG1-SD 3.58Å; I545-M570 HydrophobicContact CD1-CE 4.1Å; I545-M570 HydrophobicContact CG2-CE 4.41Å; F547-M570 HydrophobicContact CE2-CE 4.36Å; F547-M570 HydrophobicContact CE2-CG 4.46Å; F547-M570 HydrophobicContact CE2-SD 4.27Å; F547-M570 HydrophobicContact CZ-SD 4.3Å; I566-M570 HydrophobicContact CG2-CG 3.89Å; I566-M570 WeakPolarHBondContact O-CB 3.37Å; I566-M570 WeakPolarHBondContact O-CG 3.47Å; I566-M570 PolarHBondContact O-N 2.93Å; M570-I574 HydrophobicContact CE-CD1 4.05Å; M570-I574 WeakPolarHBondContact O-CB 3.3Å; M570-I574 PolarHBondContact O-N 3.27Å; M570-I574 HydrophobicContact SD-CD1 3.66Å; M570-C577 WeakPolarHBondContact O-CB 3.08Å
571	L	93.8	Very high	92.7	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-82.9	-19.3	-173.4	-60	-179.8	0	0	0	114.3	F471 N567 T569 P579 I590 L591	F471-L571 HydrophobicContact CD1-CD2 4.32Å; F471-L571 HydrophobicContact CE1-CD2 4.22Å; F471-L571 HydrophobicContact CE1-CG 4.44Å; N567-L571 VanDerWaalsContact O-CB 3.29Å; N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 WeakPolarHBondContact O-CG 3.38Å; N567-L571 PolarHBondContact O-N 3.42Å; T569-L571 VanDerWaalsContact C-N 3.33Å; T569-L571 PolarHBondContact O-N 3.47Å; L571-P579 HydrophobicContact CD1-CG 4.43Å; L571-P579 HydrophobicContact CD2-CB 4.37Å; L571-P579 HydrophobicContact CD2-CG 3.94Å; L571-I590 HydrophobicContact CB-CG2 4.06Å; L571-I590 HydrophobicContact CD1-CG2 4.14Å; L571-L591 HydrophobicContact CD1-CG 4.08Å
572	T	92.3	Very high	92.4	Very high	84 Å²	84	30 Å²	30	52%	0.515	15%	0.154	S	C	.	.	H	α-helix	trans	-107.6	-31.2	-177.8	64	0	0	0	0	114	L568 T569	L568-T572 HydrophobicContact CD1-CG2 4.01Å; L568-T572 VanDerWaalsContact O-CB 3.32Å; L568-T572 WeakPolarHBondContact O-CB 3.3Å; L568-T572 VanDerWaalsContact O-CG2 3.3Å; L568-T572 WeakPolarHBondContact O-CG2 3.31Å; L568-T572 PolarHBondContact O-N 3.27Å; L568-T572 VanDerWaalsContact O-N 3.1Å; L568-T572 PolarHBondContact O-OG1 3.36Å; T569-T572 PolarHBondContact O-N 3.02Å
573	K	94	Very high	92	Very high	142 Å²	142	30 Å²	30	62%	0.617	15%	0.154	S	C	*	.	H	α-helix	trans	-96.8	-19.2	-178.9	-60.4	-161.3	-174.8	178	0	114	T488 T569 P575	T488-K573 HydrophobicContact CG2-CB 4.16Å; T488-K573 HydrophobicContact CG2-CD 4.2Å; T569-K573 HydrophobicContact CG2-CB 4.49Å; T569-K573 HydrophobicContact CG2-CD 4.02Å; T569-K573 HydrophobicContact CG2-CG 4.32Å; T569-K573 VanDerWaalsContact O-CB 3.31Å; T569-K573 WeakPolarHBondContact O-CB 3.17Å; T569-K573 PolarHBondContact O-N 2.96Å; K573-P575 WeakPolarHBondContact O-CD 3.46Å
574	I	92.2	Very high	91.7	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.041	15%	0.153	C	C	.	.			trans	-114.7	95.1	178.2	-52.3	170.1	0	0	0	107.8	M473 A485 T488 M570 T576 C577	M473-I574 HydrophobicContact CE-CG2 4.21Å; M473-I574 HydrophobicContact SD-CG2 4.46Å; A485-I574 HydrophobicContact CB-CD1 3.85Å; A485-I574 HydrophobicContact CB-CG1 4.33Å; A485-I574 HydrophobicContact CB-CG2 4.17Å; T488-I574 HydrophobicContact CG2-CG1 4.45Å; M570-I574 HydrophobicContact CE-CD1 4.05Å; M570-I574 WeakPolarHBondContact O-CB 3.3Å; M570-I574 PolarHBondContact O-N 3.27Å; M570-I574 HydrophobicContact SD-CD1 3.66Å; I574-T576 VanDerWaalsContact C-N 3.33Å; I574-T576 PolarHBondContact O-N 3.31Å; I574-C577 HydrophobicContact CB-CB 3.77Å; I574-C577 HydrophobicContact CG2-CB 3.71Å; I574-C577 WeakPolarHBondContact O-CB 3.36Å; I574-C577 PolarHBondContact O-N 3.35Å
575	P	84.1	Confident	91.3	Very high	86 Å²	86	25.8 Å²	25.8	56%	0.558	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-43.5	-172.2	-28.2	36	0	0	0	113.9	K573 C577 K594	K573-P575 WeakPolarHBondContact O-CD 3.46Å; P575-C577 PolarHBondContact O-N 3.38Å; P575-K594 PolarHBondContact O-NZ 3.28Å
576	T	85.7	Confident	91	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.067	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3	-179.8	57.6	0	0	0	0	114.2	M473 E474 R481 E529 I574	M473-T576 WeakPolarHBondContact CA-O 3.36Å; E474-T576 HydrophobicContact CB-CG2 4.13Å; E474-T576 PolarHBondContact O-OG1 2.95Å; E474-T576 VanDerWaalsContact O-OG1 3.12Å; R481-T576 VanDerWaalsContact NH1-CG2 3.33Å; E529-T576 HydrophobicContact CG-CG2 4.49Å; E529-T576 VanDerWaalsContact OE1-CG2 3.3Å; E529-T576 WeakPolarHBondContact OE1-CG2 3.31Å; E529-T576 PolarHBondContact OE1-N 3.18Å; E529-T576 WeakPolarHBondContact OE2-CG2 3.24Å; I574-T576 VanDerWaalsContact C-N 3.33Å; I574-T576 PolarHBondContact O-N 3.31Å
577	C	91.4	Very high	90.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.6	-177.2	178.8	0	0	0	0	111.3	M473 M570 I574 P575 K594	M473-C577 HydrophobicContact CB-CB 4.41Å; M570-C577 WeakPolarHBondContact O-CB 3.08Å; I574-C577 HydrophobicContact CB-CB 3.77Å; I574-C577 HydrophobicContact CG2-CB 3.71Å; I574-C577 WeakPolarHBondContact O-CB 3.36Å; I574-C577 PolarHBondContact O-N 3.35Å; P575-C577 PolarHBondContact O-N 3.38Å; C577-K594 WeakPolarHBondContact O-CE 3.46Å
578	M	92.4	Very high	90.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.2	172	-74	-61.9	-63.2	0	0	111.3	F471 T472 L524 G525 V526 K594 F595 A598	F471-M578 CarbonylContact C-O 3.6Å; F471-M578 VanDerWaalsContact CA-O 3.29Å; F471-M578 WeakPolarHBondContact CA-O 3.49Å; T472-M578 PolarHBondContact N-O 2.68Å; T472-M578 PolarHBondContact O-N 3.07Å; L524-M578 WeakPolarHBondContact O-CB 3.3Å; L524-M578 WeakPolarHBondContact O-CE 3.47Å; L524-M578 WeakPolarHBondContact O-CG 3.37Å; G525-M578 WeakPolarHBondContact O-CG 3.28Å; V526-M578 HydrophobicContact CG2-CB 4.21Å; V526-M578 HydrophobicContact CG2-CG 4.36Å; M578-K594 HydrophobicContact CE-CG 4.11Å; M578-K594 HydrophobicContact SD-CD 4.18Å; M578-K594 HydrophobicContact SD-CG 3.53Å; M578-K594 VanDerWaalsContact SD-CG 3.53Å; M578-F595 HydrophobicContact CE-CD1 3.68Å; M578-F595 HydrophobicContact CE-CE1 3.9Å; M578-F595 HydrophobicContact CE-CG 4.41Å; M578-A598 HydrophobicContact CE-CB 3.82Å; M578-A598 HydrophobicContact SD-CB 4.14Å
579	P	91.9	Very high	90	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	141.7	171.9	25.8	-21	0	0	0	110.5	F471 L571 T583 L591 F595	F471-P579 HydrophobicContact CD1-CB 4.26Å; F471-P579 HydrophobicContact CE1-CB 4.33Å; L571-P579 HydrophobicContact CD1-CG 4.43Å; L571-P579 HydrophobicContact CD2-CB 4.37Å; L571-P579 HydrophobicContact CD2-CG 3.94Å; P579-T583 HydrophobicContact CB-CG2 4.12Å; P579-L591 HydrophobicContact CB-CD2 3.6Å; P579-L591 HydrophobicContact CG-CD2 3.16Å; P579-L591 HydrophobicContact CG-CG 4.25Å; P579-F595 HydrophobicContact CB-CZ 4.45Å; P579-F595 HydrophobicContact CG-CE2 3.85Å; P579-F595 HydrophobicContact CG-CZ 3.85Å; P579-F595 VanDerWaalsContact O-CZ 3.27Å; P579-F595 WeakPolarHBondContact O-CZ 3.44Å
580	Q	89.9	Confident	89.8	Confident	10 Å²	10	31.8 Å²	31.8	5%	0.047	16%	0.163	C	C	.	.			trans	-80	147.4	173.1	-60.2	-177.6	15.4	0	0	110.7	K470 F471 T472 K582 T583	K470-Q580 HydrophobicContact CB-CB 3.87Å; K470-Q580 HydrophobicContact CB-CG 3.96Å; K470-Q580 PolarHBondContact O-N 2.96Å; F471-Q580 PolarHBondContact O-NE2 2.69Å; T472-Q580 PolarHBondContact OG1-NE2 2.93Å; Q580-K582 VanDerWaalsContact C-N 3.27Å; Q580-K582 PolarHBondContact O-N 2.85Å; Q580-K582 VanDerWaalsContact O-N 3.14Å; Q580-T583 VanDerWaalsContact O-CB 3.24Å; Q580-T583 WeakPolarHBondContact O-CB 3.21Å; Q580-T583 WeakPolarHBondContact O-CG2 3.43Å; Q580-T583 PolarHBondContact O-N 3Å
581	W	86.8	Confident	89.5	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.015	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.6	-176.9	-68	105.3	0	0	0	115.1	L254 L523 T583 W585 F595 L599 L624 I627	L254-W581 HydrophobicContact CD1-CD2 3.97Å; L254-W581 HydrophobicContact CD1-CE3 4.08Å; L254-W581 HydrophobicContact CD1-CH2 3.78Å; L254-W581 HydrophobicContact CD1-CZ2 3.64Å; L254-W581 HydrophobicContact CD1-CZ3 4Å; L254-W581 HydrophobicContact CD2-CB 4.24Å; L254-W581 HydrophobicContact CD2-CD2 3.7Å; L254-W581 HydrophobicContact CD2-CE3 4.27Å; L254-W581 HydrophobicContact CD2-CG 3.65Å; L523-W581 PolarHBondContact O-NE1 2.98Å; W581-T583 VanDerWaalsContact C-N 3.3Å; W581-T583 PolarHBondContact O-N 3.42Å; W581-W585 AromaticContact CE3-CZ2 3.95Å; W581-W585 HydrophobicContact CE3-CZ2 3.95Å; W581-W585 HydrophobicContact CZ3-CH2 4.14Å; W581-W585 AromaticContact CZ3-CZ2 3.96Å; W581-W585 HydrophobicContact CZ3-CZ2 3.96Å; W581-F595 HydrophobicContact CD2-CE1 4.13Å; W581-F595 HydrophobicContact CD2-CZ 4Å; W581-F595 AromaticContact CE2-CE1 3.7Å; W581-F595 HydrophobicContact CE3-CE1 4.33Å; W581-F595 HydrophobicContact CE3-CE2 4.2Å; W581-F595 AromaticContact CE3-CZ 3.94Å; W581-F595 HydrophobicContact CE3-CZ 3.94Å; W581-F595 HydrophobicContact CH2-CB 4.46Å; W581-F595 AromaticContact CH2-CD1 3.61Å; W581-F595 HydrophobicContact CH2-CD1 3.61Å; W581-F595 HydrophobicContact CH2-CD2 4.12Å; W581-F595 AromaticContact CH2-CE1 3.73Å; W581-F595 HydrophobicContact CH2-CE1 3.73Å; W581-F595 HydrophobicContact CH2-CE2 4.2Å; W581-F595 AromaticContact CH2-CG 3.83Å; W581-F595 HydrophobicContact CH2-CG 3.83Å; W581-F595 HydrophobicContact CH2-CZ 4.02Å; W581-F595 AromaticContact CZ2-CD1 3.61Å; W581-F595 HydrophobicContact CZ2-CD1 3.61Å; W581-F595 AromaticContact CZ2-CE1 3.49Å; W581-F595 HydrophobicContact CZ2-CE1 3.49Å; W581-F595 VanDerWaalsContact CZ2-CE1 3.49Å; W581-F595 HydrophobicContact CZ2-CG 4.3Å; W581-F595 HydrophobicContact CZ2-CZ 4.08Å; W581-F595 HydrophobicContact CZ3-CD1 4.31Å; W581-F595 HydrophobicContact CZ3-CD2 4.13Å; W581-F595 HydrophobicContact CZ3-CE1 4.14Å; W581-F595 AromaticContact CZ3-CE2 3.93Å; W581-F595 HydrophobicContact CZ3-CE2 3.93Å; W581-F595 HydrophobicContact CZ3-CG 4.31Å; W581-F595 AromaticContact CZ3-CZ 3.94Å; W581-F595 HydrophobicContact CZ3-CZ 3.94Å; W581-L599 HydrophobicContact CH2-CD1 4.21Å; W581-L599 HydrophobicContact CZ2-CD1 3.98Å; W581-L624 HydrophobicContact CZ3-CD2 4.25Å; W581-I627 HydrophobicContact CH2-CD1 4.02Å; W581-I627 HydrophobicContact CH2-CG2 4.47Å; W581-I627 HydrophobicContact CZ3-CD1 3.95Å
582	K	85.3	Confident	89.3	Confident	19 Å²	19	31.9 Å²	31.9	8%	0.083	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.4	178.9	-73.6	-171.4	175.4	179.7	0	114.1	D197 S202 S205 Q580	D197-K582 IonicContact OD2-NZ 2.83Å; D197-K582 PolarHBondContact OD2-NZ 2.84Å; S202-K582 PolarHBondContact OG-NZ 2.85Å; S205-K582 WeakPolarHBondContact OG-CE 3.43Å; Q580-K582 VanDerWaalsContact C-N 3.27Å; Q580-K582 PolarHBondContact O-N 2.85Å; Q580-K582 VanDerWaalsContact O-N 3.14Å
583	T	87.9	Confident	89.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-63.1	156.3	175.3	-166.2	0	0	0	0	111.2	L469 K470 P579 Q580 W581	L469-T583 VanDerWaalsContact CA-OG1 3.29Å; L469-T583 WeakPolarHBondContact CA-OG1 3.3Å; K470-T583 PolarHBondContact N-OG1 3.38Å; P579-T583 HydrophobicContact CB-CG2 4.12Å; Q580-T583 VanDerWaalsContact O-CB 3.24Å; Q580-T583 WeakPolarHBondContact O-CB 3.21Å; Q580-T583 WeakPolarHBondContact O-CG2 3.43Å; Q580-T583 PolarHBondContact O-N 3Å; W581-T583 VanDerWaalsContact C-N 3.3Å; W581-T583 PolarHBondContact O-N 3.42Å
584	E	87.9	Confident	88.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-70.1	134.5	163.1	-164.4	-179.9	168.7	0	0	110.4	N81 R467 I468 L469 W559 H586	N81-E584 WeakPolarHBondContact CB-OE1 3.37Å; R467-E584 IonicContact CZ-OE1 3.1Å; R467-E584 IonicContact CZ-OE2 3.25Å; R467-E584 IonicContact NE-OE1 2.83Å; R467-E584 PolarHBondContact NE-OE1 3.27Å; R467-E584 IonicContact NE-OE2 3.95Å; R467-E584 PolarHBondContact NE-OE2 2.77Å; R467-E584 IonicContact NH2-OE1 3.64Å; R467-E584 PolarHBondContact NH2-OE1 3.47Å; R467-E584 IonicContact NH2-OE2 2.76Å; I468-E584 WeakPolarHBondContact O-CB 3.49Å; I468-E584 PolarHBondContact O-N 3.01Å; L469-E584 HydrophobicContact CD2-CB 3.98Å; W559-E584 PolarHBondContact NE1-OE2 2.92Å; E584-H586 WeakPolarHBondContact CG-NE2 2.97Å; E584-H586 IonicContact OE1-CE1 2.71Å; E584-H586 IonicContact OE1-NE2 2.99Å; E584-H586 PolarHBondContact OE1-NE2 3.47Å; E584-H586 IonicContact OE2-NE2 3.49Å
585	W	86.9	Confident	88.8	Confident	8 Å²	8	25.7 Å²	25.7	3%	0.03	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-96	116.8	-173.5	-76.7	32.8	0	0	0	111.4	N124 W581 L591 L592 F595 I627	N124-W585 HydrophobicContact CB-CG 4.48Å; N124-W585 PolarHBondContact ND2-NE1 3.31Å; W581-W585 AromaticContact CE3-CZ2 3.95Å; W581-W585 HydrophobicContact CE3-CZ2 3.95Å; W581-W585 HydrophobicContact CZ3-CH2 4.14Å; W581-W585 AromaticContact CZ3-CZ2 3.96Å; W581-W585 HydrophobicContact CZ3-CZ2 3.96Å; W585-L591 HydrophobicContact CB-CD1 3.79Å; W585-L591 HydrophobicContact CD2-CD1 3.89Å; W585-L591 HydrophobicContact CD2-CD2 4.3Å; W585-L591 HydrophobicContact CE3-CB 4.45Å; W585-L591 HydrophobicContact CE3-CD1 4.2Å; W585-L591 HydrophobicContact CG-CD1 3.71Å; W585-L592 HydrophobicContact CH2-CD2 4.46Å; W585-L592 HydrophobicContact CZ3-CD2 3.87Å; W585-L592 HydrophobicContact CZ3-CG 4.46Å; W585-F595 HydrophobicContact CH2-CD2 4.08Å; W585-F595 AromaticContact CH2-CE2 3.96Å; W585-F595 HydrophobicContact CH2-CE2 3.96Å; W585-F595 HydrophobicContact CZ2-CD2 4.21Å; W585-F595 AromaticContact CZ2-CE2 3.61Å; W585-F595 HydrophobicContact CZ2-CE2 3.61Å; W585-F595 HydrophobicContact CZ2-CZ 4.48Å; W585-I627 HydrophobicContact CH2-CD1 3.98Å
586	H	89.1	Confident	89	Confident	11 Å²	11	26.1 Å²	26.1	5%	0.051	12%	0.123	C	C	.	.			trans	-125.3	161.1	170.4	-58.1	-101.6	0	0	0	109.3	A563 K564 N567 E584 K588 L591	A563-H586 WeakPolarHBondContact CB-NE2 3.47Å; K564-H586 HydrophobicContact CG-CB 4.06Å; N567-H586 HydrophobicContact CB-CB 4.49Å; E584-H586 WeakPolarHBondContact CG-NE2 2.97Å; E584-H586 IonicContact OE1-CE1 2.71Å; E584-H586 IonicContact OE1-NE2 2.99Å; E584-H586 PolarHBondContact OE1-NE2 3.47Å; E584-H586 IonicContact OE2-NE2 3.49Å; H586-K588 VanDerWaalsContact C-N 3.29Å; H586-K588 PolarHBondContact O-N 2.64Å; H586-L591 WeakPolarHBondContact O-CD1 3.37Å
587	V	89.6	Confident	89.1	Confident	40 Å²	40	32.7 Å²	32.7	24%	0.242	15%	0.152	C	C	.	.	S	Bend	trans	51.1	50.9	-176.6	-106.8	0	0	0	0	111.6	N567 Q589 I590 L591	N567-V587 HydrophobicContact CB-CG2 3.46Å; N567-V587 VanDerWaalsContact CB-CG2 3.46Å; V587-Q589 VanDerWaalsContact C-N 3.26Å; V587-Q589 PolarHBondContact O-N 3.14Å; V587-Q589 VanDerWaalsContact O-N 3.07Å; V587-I590 HydrophobicContact CB-CB 4.42Å; V587-I590 HydrophobicContact CB-CD1 4.08Å; V587-I590 HydrophobicContact CB-CG1 4.38Å; V587-I590 HydrophobicContact CG1-CD1 3.86Å; V587-I590 HydrophobicContact CG1-CG1 4.48Å; V587-I590 WeakPolarHBondContact O-CB 3.28Å; V587-I590 PolarHBondContact O-N 3.2Å; V587-L591 PolarHBondContact O-N 3.08Å
588	K	87	Confident	88.7	Confident	70 Å²	70	33.6 Å²	33.6	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-49.7	-41.1	-167	-175.6	-178.4	-177	179.3	0	114.2	H586 I590 L591 L592 Y623	H586-K588 VanDerWaalsContact C-N 3.29Å; H586-K588 PolarHBondContact O-N 2.64Å; K588-I590 VanDerWaalsContact C-N 3.33Å; K588-I590 PolarHBondContact O-N 3.15Å; K588-L591 WeakPolarHBondContact O-CB 3.29Å; K588-L591 PolarHBondContact O-N 3.24Å; K588-L592 HydrophobicContact CG-CD1 4.02Å; K588-L592 HydrophobicContact CG-CG 4.32Å; K588-L592 WeakPolarHBondContact O-CB 3.25Å; K588-L592 VanDerWaalsContact O-CG 3.27Å; K588-L592 WeakPolarHBondContact O-CG 3.48Å; K588-L592 PolarHBondContact O-N 3.04Å; K588-Y623 PolarHBondContact NZ-OH 2.99Å
589	Q	89.5	Confident	88.4	Confident	110 Å²	110	33.4 Å²	33.4	51%	0.514	16%	0.159	S	C	.	.	H	α-helix	trans	-64.7	-38.5	-179	-169.2	59.2	39.4	0	0	112.2	V587 N593	V587-Q589 VanDerWaalsContact C-N 3.26Å; V587-Q589 PolarHBondContact O-N 3.14Å; V587-Q589 VanDerWaalsContact O-N 3.07Å; Q589-N593 PolarHBondContact NE2-OD1 2.83Å; Q589-N593 VanDerWaalsContact NE2-OD1 3.08Å; Q589-N593 WeakPolarHBondContact O-CB 3.16Å; Q589-N593 PolarHBondContact O-N 3.38Å; Q589-N593 PolarHBondContact O-ND2 3.19Å
590	I	91.7	Very high	88	Confident	49 Å²	49	40.9 Å²	40.9	25%	0.251	19%	0.192	S	C	.	.	H	α-helix	trans	-65.9	-47	176.9	-58.2	-178.4	0	0	0	109.6	L568 L571 V587 K588 L592 N593 K594	L568-I590 HydrophobicContact CD1-CD1 3.31Å; L571-I590 HydrophobicContact CB-CG2 4.06Å; L571-I590 HydrophobicContact CD1-CG2 4.14Å; V587-I590 HydrophobicContact CB-CB 4.42Å; V587-I590 HydrophobicContact CB-CD1 4.08Å; V587-I590 HydrophobicContact CB-CG1 4.38Å; V587-I590 HydrophobicContact CG1-CD1 3.86Å; V587-I590 HydrophobicContact CG1-CG1 4.48Å; V587-I590 WeakPolarHBondContact O-CB 3.28Å; V587-I590 PolarHBondContact O-N 3.2Å; K588-I590 VanDerWaalsContact C-N 3.33Å; K588-I590 PolarHBondContact O-N 3.15Å; I590-L592 PolarHBondContact O-N 2.9Å; I590-N593 PolarHBondContact O-N 3.39Å; I590-K594 WeakPolarHBondContact O-CB 3.39Å; I590-K594 PolarHBondContact O-N 2.66Å
591	L	90	Very high	87.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.7	-52	174.5	-107.9	163.4	0	0	0	112.4	L571 P579 W585 H586 V587 K588 N593 K594 F595	L571-L591 HydrophobicContact CD1-CG 4.08Å; P579-L591 HydrophobicContact CB-CD2 3.6Å; P579-L591 HydrophobicContact CG-CD2 3.16Å; P579-L591 HydrophobicContact CG-CG 4.25Å; W585-L591 HydrophobicContact CB-CD1 3.79Å; W585-L591 HydrophobicContact CD2-CD1 3.89Å; W585-L591 HydrophobicContact CD2-CD2 4.3Å; W585-L591 HydrophobicContact CE3-CB 4.45Å; W585-L591 HydrophobicContact CE3-CD1 4.2Å; W585-L591 HydrophobicContact CG-CD1 3.71Å; H586-L591 WeakPolarHBondContact O-CD1 3.37Å; V587-L591 PolarHBondContact O-N 3.08Å; K588-L591 WeakPolarHBondContact O-CB 3.29Å; K588-L591 PolarHBondContact O-N 3.24Å; L591-N593 PolarHBondContact O-N 3.12Å; L591-K594 PolarHBondContact O-N 2.98Å; L591-F595 HydrophobicContact CD2-CD2 4.08Å; L591-F595 HydrophobicContact CD2-CE2 3.58Å; L591-F595 WeakPolarHBondContact O-CD2 3.24Å; L591-F595 PolarHBondContact O-N 3.25Å
592	L	89.3	Confident	86.8	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-43.6	179.6	-71.5	174	0	0	0	111.7	W585 K588 I590 R596 I627	W585-L592 HydrophobicContact CH2-CD2 4.46Å; W585-L592 HydrophobicContact CZ3-CD2 3.87Å; W585-L592 HydrophobicContact CZ3-CG 4.46Å; K588-L592 HydrophobicContact CG-CD1 4.02Å; K588-L592 HydrophobicContact CG-CG 4.32Å; K588-L592 WeakPolarHBondContact O-CB 3.25Å; K588-L592 VanDerWaalsContact O-CG 3.27Å; K588-L592 WeakPolarHBondContact O-CG 3.48Å; K588-L592 PolarHBondContact O-N 3.04Å; I590-L592 PolarHBondContact O-N 2.9Å; L592-R596 VanDerWaalsContact O-CB 3.29Å; L592-R596 WeakPolarHBondContact O-CB 3.3Å; L592-R596 PolarHBondContact O-N 3.21Å; L592-I627 HydrophobicContact CD2-CD1 3.79Å; L592-I627 HydrophobicContact CD2-CG1 3.62Å
593	N	89.3	Confident	86.7	Confident	68 Å²	68	48.6 Å²	48.6	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-44.2	178	-72.8	-10.5	0	0	0	111.2	Q589 I590 L591 F595 R596 E597	Q589-N593 PolarHBondContact NE2-OD1 2.83Å; Q589-N593 VanDerWaalsContact NE2-OD1 3.08Å; Q589-N593 WeakPolarHBondContact O-CB 3.16Å; Q589-N593 PolarHBondContact O-N 3.38Å; Q589-N593 PolarHBondContact O-ND2 3.19Å; I590-N593 PolarHBondContact O-N 3.39Å; L591-N593 PolarHBondContact O-N 3.12Å; N593-F595 PolarHBondContact O-N 2.95Å; N593-R596 PolarHBondContact O-N 3.45Å; N593-R596 PolarHBondContact OD1-NH1 2.99Å; N593-R596 VanDerWaalsContact OD1-NH1 3.13Å; N593-E597 WeakPolarHBondContact O-CB 3.42Å; N593-E597 PolarHBondContact O-N 2.95Å
594	K	89.5	Confident	86.5	Confident	37 Å²	37	52.6 Å²	52.6	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-46.8	178.6	-166.9	76.6	177	-174.9	0	111.6	P575 C577 M578 I590 L591 A598	P575-K594 PolarHBondContact O-NZ 3.28Å; C577-K594 WeakPolarHBondContact O-CE 3.46Å; M578-K594 HydrophobicContact CE-CG 4.11Å; M578-K594 HydrophobicContact SD-CD 4.18Å; M578-K594 HydrophobicContact SD-CG 3.53Å; M578-K594 VanDerWaalsContact SD-CG 3.53Å; I590-K594 WeakPolarHBondContact O-CB 3.39Å; I590-K594 PolarHBondContact O-N 2.66Å; L591-K594 PolarHBondContact O-N 2.98Å; K594-A598 WeakPolarHBondContact O-CB 3.41Å; K594-A598 PolarHBondContact O-N 3.18Å; K594-A598 VanDerWaalsContact O-N 3.07Å
595	F	89.4	Confident	86.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-43.7	174	-79.9	-60.2	0	0	0	112.5	M578 P579 W581 W585 L591 N593 E597 A598 L599 I627	M578-F595 HydrophobicContact CE-CD1 3.68Å; M578-F595 HydrophobicContact CE-CE1 3.9Å; M578-F595 HydrophobicContact CE-CG 4.41Å; P579-F595 HydrophobicContact CB-CZ 4.45Å; P579-F595 HydrophobicContact CG-CE2 3.85Å; P579-F595 HydrophobicContact CG-CZ 3.85Å; P579-F595 VanDerWaalsContact O-CZ 3.27Å; P579-F595 WeakPolarHBondContact O-CZ 3.44Å; W581-F595 HydrophobicContact CD2-CE1 4.13Å; W581-F595 HydrophobicContact CD2-CZ 4Å; W581-F595 AromaticContact CE2-CE1 3.7Å; W581-F595 HydrophobicContact CE3-CE1 4.33Å; W581-F595 HydrophobicContact CE3-CE2 4.2Å; W581-F595 AromaticContact CE3-CZ 3.94Å; W581-F595 HydrophobicContact CE3-CZ 3.94Å; W581-F595 HydrophobicContact CH2-CB 4.46Å; W581-F595 AromaticContact CH2-CD1 3.61Å; W581-F595 HydrophobicContact CH2-CD1 3.61Å; W581-F595 HydrophobicContact CH2-CD2 4.12Å; W581-F595 AromaticContact CH2-CE1 3.73Å; W581-F595 HydrophobicContact CH2-CE1 3.73Å; W581-F595 HydrophobicContact CH2-CE2 4.2Å; W581-F595 AromaticContact CH2-CG 3.83Å; W581-F595 HydrophobicContact CH2-CG 3.83Å; W581-F595 HydrophobicContact CH2-CZ 4.02Å; W581-F595 AromaticContact CZ2-CD1 3.61Å; W581-F595 HydrophobicContact CZ2-CD1 3.61Å; W581-F595 AromaticContact CZ2-CE1 3.49Å; W581-F595 HydrophobicContact CZ2-CE1 3.49Å; W581-F595 VanDerWaalsContact CZ2-CE1 3.49Å; W581-F595 HydrophobicContact CZ2-CG 4.3Å; W581-F595 HydrophobicContact CZ2-CZ 4.08Å; W581-F595 HydrophobicContact CZ3-CD1 4.31Å; W581-F595 HydrophobicContact CZ3-CD2 4.13Å; W581-F595 HydrophobicContact CZ3-CE1 4.14Å; W581-F595 AromaticContact CZ3-CE2 3.93Å; W581-F595 HydrophobicContact CZ3-CE2 3.93Å; W581-F595 HydrophobicContact CZ3-CG 4.31Å; W581-F595 AromaticContact CZ3-CZ 3.94Å; W581-F595 HydrophobicContact CZ3-CZ 3.94Å; W585-F595 HydrophobicContact CH2-CD2 4.08Å; W585-F595 AromaticContact CH2-CE2 3.96Å; W585-F595 HydrophobicContact CH2-CE2 3.96Å; W585-F595 HydrophobicContact CZ2-CD2 4.21Å; W585-F595 AromaticContact CZ2-CE2 3.61Å; W585-F595 HydrophobicContact CZ2-CE2 3.61Å; W585-F595 HydrophobicContact CZ2-CZ 4.48Å; L591-F595 HydrophobicContact CD2-CD2 4.08Å; L591-F595 HydrophobicContact CD2-CE2 3.58Å; L591-F595 WeakPolarHBondContact O-CD2 3.24Å; L591-F595 PolarHBondContact O-N 3.25Å; N593-F595 PolarHBondContact O-N 2.95Å; F595-E597 VanDerWaalsContact C-N 3.3Å; F595-E597 PolarHBondContact O-N 3.5Å; F595-A598 PolarHBondContact O-N 2.89Å; F595-L599 HydrophobicContact CB-CD1 4.41Å; F595-L599 HydrophobicContact CD1-CD1 4.37Å; F595-L599 WeakPolarHBondContact O-CB 3.49Å; F595-L599 WeakPolarHBondContact O-CG 3.44Å; F595-L599 PolarHBondContact O-N 3Å; F595-I627 HydrophobicContact CB-CD1 4.22Å; F595-I627 HydrophobicContact CB-CG1 4.28Å; F595-I627 HydrophobicContact CB-CG2 3.75Å; F595-I627 HydrophobicContact CD2-CD1 4.38Å
596	R	88.8	Confident	86.3	Confident	94 Å²	94	55.4 Å²	55.4	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-42.8	179.6	-173.6	-173.9	-62.6	133.2	3.5	111.6	L592 N593 K600 S626	L592-R596 VanDerWaalsContact O-CB 3.29Å; L592-R596 WeakPolarHBondContact O-CB 3.3Å; L592-R596 PolarHBondContact O-N 3.21Å; N593-R596 PolarHBondContact O-N 3.45Å; N593-R596 PolarHBondContact OD1-NH1 2.99Å; N593-R596 VanDerWaalsContact OD1-NH1 3.13Å; R596-K600 WeakPolarHBondContact O-CB 3.46Å; R596-K600 PolarHBondContact O-N 2.76Å; R596-K600 VanDerWaalsContact O-N 3.1Å; R596-S626 PolarHBondContact NE-O 3.3Å; R596-S626 PolarHBondContact NH2-O 3.44Å
597	E	86.6	Confident	86.3	Confident	149 Å²	149	56.2 Å²	56.2	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-63.3	-52.8	177.8	-172.9	177.6	179.5	0	0	111	N593 F595 L599 K600	N593-E597 WeakPolarHBondContact O-CB 3.42Å; N593-E597 PolarHBondContact O-N 2.95Å; F595-E597 VanDerWaalsContact C-N 3.3Å; F595-E597 PolarHBondContact O-N 3.5Å; E597-L599 VanDerWaalsContact C-N 3.29Å; E597-L599 PolarHBondContact O-N 3.31Å; E597-K600 PolarHBondContact O-N 3.05Å
598	A	84.3	Confident	86.2	Confident	19 Å²	19	59.9 Å²	59.9	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-32.7	-178.9	0	0	0	0	0	113.4	L528 M578 K594 F595 T602	L528-A598 HydrophobicContact CD1-CB 4.2Å; L528-A598 WeakPolarHBondContact CD1-O 3.29Å; M578-A598 HydrophobicContact CE-CB 3.82Å; M578-A598 HydrophobicContact SD-CB 4.14Å; K594-A598 WeakPolarHBondContact O-CB 3.41Å; K594-A598 PolarHBondContact O-N 3.18Å; K594-A598 VanDerWaalsContact O-N 3.07Å; F595-A598 PolarHBondContact O-N 2.89Å; A598-T602 PolarHBondContact O-OG1 2.71Å
599	L	85.8	Confident	86.4	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-95.1	-4.9	-175	-60	-179.7	0	0	0	114.5	H522 L523 W581 F595 E597 Q601 T602 A603 I627 F628	H522-L599 WeakPolarHBondContact O-CD2 3.42Å; L523-L599 HydrophobicContact CD2-CD1 4.47Å; L523-L599 HydrophobicContact CD2-CD2 4.08Å; W581-L599 HydrophobicContact CH2-CD1 4.21Å; W581-L599 HydrophobicContact CZ2-CD1 3.98Å; F595-L599 HydrophobicContact CB-CD1 4.41Å; F595-L599 HydrophobicContact CD1-CD1 4.37Å; F595-L599 WeakPolarHBondContact O-CB 3.49Å; F595-L599 WeakPolarHBondContact O-CG 3.44Å; F595-L599 PolarHBondContact O-N 3Å; E597-L599 VanDerWaalsContact C-N 3.29Å; E597-L599 PolarHBondContact O-N 3.31Å; L599-Q601 VanDerWaalsContact C-N 3.32Å; L599-Q601 PolarHBondContact O-N 3.29Å; L599-T602 PolarHBondContact O-N 3.14Å; L599-A603 HydrophobicContact CB-CB 4.11Å; L599-A603 WeakPolarHBondContact O-CB 3.46Å; L599-A603 PolarHBondContact O-N 3.11Å; L599-I627 HydrophobicContact CD1-CG2 3.66Å; L599-F628 HydrophobicContact CD1-CE1 3.87Å; L599-F628 HydrophobicContact CD1-CZ 4.07Å
600	K	82.5	Confident	86.4	Confident	158 Å²	158	52.6 Å²	52.6	69%	0.687	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-50.9	-170.8	-171.8	176.6	-180	-178.6	0	112.8	R596 E597 K607	R596-K600 WeakPolarHBondContact O-CB 3.46Å; R596-K600 PolarHBondContact O-N 2.76Å; R596-K600 VanDerWaalsContact O-N 3.1Å; E597-K600 PolarHBondContact O-N 3.05Å; K600-K607 PolarHBondContact O-NZ 2.94Å
601	Q	75.3	Confident	86.3	Confident	164 Å²	164	53.9 Å²	53.9	77%	0.766	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-29.9	179	-64.8	-178.9	0.2	0	0	112.9	L599 E604	L599-Q601 VanDerWaalsContact C-N 3.32Å; L599-Q601 PolarHBondContact O-N 3.29Å; Q601-E604 WeakPolarHBondContact O-CB 3.31Å; Q601-E604 PolarHBondContact O-N 3.04Å
602	T	78	Confident	86.2	Confident	30 Å²	30	60 Å²	60	18%	0.184	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.5	-165.3	64.3	0	0	0	0	113.7	H522 L528 A598 L599 E604 P605	H522-T602 HydrophobicContact CB-CG2 4.39Å; H522-T602 PolarHBondContact CD2-O 3.48Å; H522-T602 VanDerWaalsContact CD2-O 3.28Å; L528-T602 HydrophobicContact CD1-CG2 4.09Å; L528-T602 HydrophobicContact CD2-CG2 3.49Å; L528-T602 VanDerWaalsContact CD2-CG2 3.49Å; L528-T602 HydrophobicContact CG-CG2 4.47Å; A598-T602 PolarHBondContact O-OG1 2.71Å; L599-T602 PolarHBondContact O-N 3.14Å; T602-E604 PolarHBondContact O-N 2.75Å; T602-P605 WeakPolarHBondContact O-CD 3.33Å
603	A	83.2	Confident	86.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.9	175.2	0	0	0	0	0	113.7	L599 L606 K607 F628	L599-A603 HydrophobicContact CB-CB 4.11Å; L599-A603 WeakPolarHBondContact O-CB 3.46Å; L599-A603 PolarHBondContact O-N 3.11Å; A603-L606 WeakPolarHBondContact O-CA 3.39Å; A603-L606 WeakPolarHBondContact O-CB 3.46Å; A603-L606 PolarHBondContact O-N 3.04Å; A603-K607 WeakPolarHBondContact O-CG 3.22Å; A603-K607 PolarHBondContact O-N 3.47Å; A603-F628 HydrophobicContact CB-CD1 3.61Å; A603-F628 HydrophobicContact CB-CE1 3.61Å
604	E	83.8	Confident	86.5	Confident	84 Å²	84	56.4 Å²	56.4	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-42.5	-173.9	-154.6	57.9	-151.6	0	0	114.4	Q601 T602 L606 K607 Q608	Q601-E604 WeakPolarHBondContact O-CB 3.31Å; Q601-E604 PolarHBondContact O-N 3.04Å; T602-E604 PolarHBondContact O-N 2.75Å; E604-L606 VanDerWaalsContact C-N 3.28Å; E604-L606 PolarHBondContact O-N 2.98Å; E604-K607 PolarHBondContact O-N 2.96Å; E604-K607 VanDerWaalsContact O-N 3.17Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 WeakPolarHBondContact OE2-CE 3.34Å; E604-K607 IonicContact OE2-NZ 2.79Å; E604-K607 PolarHBondContact OE2-NZ 2.84Å; E604-Q608 WeakPolarHBondContact O-CG 3.38Å; E604-Q608 PolarHBondContact O-N 2.81Å
605	P	83.5	Confident	86.4	Confident	67 Å²	67	59.6 Å²	59.6	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-37.8	173.6	-23.7	35.4	0	0	0	113	A249 T602 L609	A249-P605 HydrophobicContact CB-CB 4.34Å; T602-P605 WeakPolarHBondContact O-CD 3.33Å; P605-L609 PolarHBondContact O-N 2.86Å
606	L	86.7	Confident	86.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-44	175.2	171.8	62.1	0	0	0	110.8	A249 N253 L257 L523 A603 E604 Q608 L609 I610 F628	A249-L606 WeakPolarHBondContact O-CD1 3.38Å; N253-L606 HydrophobicContact CB-CD1 3.74Å; L257-L606 HydrophobicContact CD2-CD1 4.34Å; L257-L606 HydrophobicContact CG-CD1 4.44Å; L523-L606 HydrophobicContact CD1-CD2 4.25Å; L523-L606 HydrophobicContact CD2-CD2 3.89Å; A603-L606 WeakPolarHBondContact O-CA 3.39Å; A603-L606 WeakPolarHBondContact O-CB 3.46Å; A603-L606 PolarHBondContact O-N 3.04Å; E604-L606 VanDerWaalsContact C-N 3.28Å; E604-L606 PolarHBondContact O-N 2.98Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 2.96Å; L606-L609 WeakPolarHBondContact O-CB 3.46Å; L606-L609 PolarHBondContact O-N 2.83Å; L606-L609 VanDerWaalsContact O-N 3.07Å; L606-I610 HydrophobicContact CD1-CD1 4.04Å; L606-I610 HydrophobicContact CD1-CG1 4.1Å; L606-I610 HydrophobicContact CD2-CD1 4.43Å; L606-I610 HydrophobicContact CG-CD1 3.8Å; L606-I610 HydrophobicContact CG-CG1 4.33Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.27Å; L606-I610 PolarHBondContact O-N 2.89Å; L606-F628 HydrophobicContact CD2-CE1 4.05Å; L606-F628 HydrophobicContact CD2-CZ 4.18Å
607	K	88.4	Confident	86.4	Confident	28 Å²	28	56.3 Å²	56.3	12%	0.122	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-40.7	177.2	-67.1	-177.4	-144.6	157.9	0	111.9	K600 A603 E604 L609 I610 T611 F628 Y629	K600-K607 PolarHBondContact O-NZ 2.94Å; A603-K607 WeakPolarHBondContact O-CG 3.22Å; A603-K607 PolarHBondContact O-N 3.47Å; E604-K607 PolarHBondContact O-N 2.96Å; E604-K607 VanDerWaalsContact O-N 3.17Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 WeakPolarHBondContact OE2-CE 3.34Å; E604-K607 IonicContact OE2-NZ 2.79Å; E604-K607 PolarHBondContact OE2-NZ 2.84Å; K607-L609 VanDerWaalsContact C-N 3.31Å; K607-L609 PolarHBondContact O-N 3.16Å; K607-I610 PolarHBondContact O-N 2.76Å; K607-T611 WeakPolarHBondContact O-CG2 3.32Å; K607-T611 PolarHBondContact O-N 3.41Å; K607-T611 PolarHBondContact O-OG1 3.46Å; K607-F628 WeakPolarHBondContact CE-O 3.16Å; K607-F628 PolarHBondContact NZ-O 3.31Å; K607-Y629 HydrophobicContact CD-CD1 4.43Å; K607-Y629 HydrophobicContact CD-CE1 3.99Å; K607-Y629 HydrophobicContact CG-CE1 4.16Å
608	Q	88.6	Confident	86.7	Confident	117 Å²	117	49.2 Å²	49.2	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-37.4	174.9	-71.1	174.6	-1.3	0	0	112.5	E604 L606 T611 I612	E604-Q608 WeakPolarHBondContact O-CG 3.38Å; E604-Q608 PolarHBondContact O-N 2.81Å; L606-Q608 VanDerWaalsContact C-N 3.29Å; L606-Q608 PolarHBondContact O-N 2.96Å; Q608-T611 PolarHBondContact O-OG1 3.03Å; Q608-I612 WeakPolarHBondContact O-CG1 3.36Å
609	L	89.8	Confident	87.1	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.131	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-37.5	173.9	-97.3	149.5	0	0	0	112.4	Y241 A249 L257 P605 L606 K607 I612 A613	Y241-L609 HydrophobicContact CD1-CD2 4.33Å; Y241-L609 HydrophobicContact CE1-CD2 3.5Å; A249-L609 HydrophobicContact CB-CD1 3.22Å; L257-L609 HydrophobicContact CD2-CB 3.91Å; P605-L609 PolarHBondContact O-N 2.86Å; L606-L609 WeakPolarHBondContact O-CB 3.46Å; L606-L609 PolarHBondContact O-N 2.83Å; L606-L609 VanDerWaalsContact O-N 3.07Å; K607-L609 VanDerWaalsContact C-N 3.31Å; K607-L609 PolarHBondContact O-N 3.16Å; L609-I612 PolarHBondContact O-N 3.1Å; L609-A613 WeakPolarHBondContact O-CB 3.5Å; L609-A613 PolarHBondContact O-N 2.97Å
610	I	90.7	Very high	87.3	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-43.7	176	-67.6	165.1	0	0	0	110.7	L256 L257 L606 K607 I612 A613 D614	L256-I610 HydrophobicContact CB-CD1 3.75Å; L256-I610 HydrophobicContact CB-CG1 3.96Å; L256-I610 HydrophobicContact CD1-CD1 3.69Å; L256-I610 HydrophobicContact CG-CD1 4.3Å; L257-I610 HydrophobicContact CD2-CB 4.37Å; L257-I610 HydrophobicContact CD2-CG1 3.7Å; L606-I610 HydrophobicContact CD1-CD1 4.04Å; L606-I610 HydrophobicContact CD1-CG1 4.1Å; L606-I610 HydrophobicContact CD2-CD1 4.43Å; L606-I610 HydrophobicContact CG-CD1 3.8Å; L606-I610 HydrophobicContact CG-CG1 4.33Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.27Å; L606-I610 PolarHBondContact O-N 2.89Å; K607-I610 PolarHBondContact O-N 2.76Å; I610-I612 PolarHBondContact O-N 3.48Å; I610-A613 PolarHBondContact O-N 2.78Å; I610-D614 CarbonylContact O-C 3.04Å; I610-D614 WeakPolarHBondContact O-CA 3.4Å; I610-D614 PolarHBondContact O-N 2.85Å
611	T	88.3	Confident	87.4	Confident	76 Å²	76	41.7 Å²	41.7	47%	0.466	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-26.4	-179.7	53.5	0	0	0	0	113	K607 Q608 R615	K607-T611 WeakPolarHBondContact O-CG2 3.32Å; K607-T611 PolarHBondContact O-N 3.41Å; K607-T611 PolarHBondContact O-OG1 3.46Å; Q608-T611 PolarHBondContact O-OG1 3.03Å; T611-R615 WeakPolarHBondContact O-CB 3.27Å
612	I	89.2	Confident	87.8	Confident	128 Å²	128	39.9 Å²	39.9	66%	0.656	20%	0.2	S	C	*	.	H	α-helix	trans	-82.9	-48.4	175.1	-60.6	168.2	0	0	0	110.9	Q608 L609 I610	Q608-I612 WeakPolarHBondContact O-CG1 3.36Å; L609-I612 PolarHBondContact O-N 3.1Å; I610-I612 PolarHBondContact O-N 3.48Å
613	A	90.8	Very high	88	Confident	3 Å²	3	40.5 Å²	40.5	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-77.1	-32.4	-173.2	0	0	0	0	0	113.6	C234 L257 L609 I610	C234-A613 PolarHBondContact N-O 3.16Å; C234-A613 PolarHBondContact SG-O 3.2Å; L257-A613 HydrophobicContact CB-CB 4.34Å; L257-A613 HydrophobicContact CD2-CB 3.98Å; L609-A613 WeakPolarHBondContact O-CB 3.5Å; L609-A613 PolarHBondContact O-N 2.97Å; I610-A613 PolarHBondContact O-N 2.78Å
614	D	92.4	Very high	88.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.2	C	C	.	.			trans	-153	63.7	-173.8	-175.9	31	0	0	0	112	C234 I610 D616 G617 M618 F619	C234-D614 HydrophobicContact CB-CB 4.4Å; I610-D614 CarbonylContact O-C 3.04Å; I610-D614 WeakPolarHBondContact O-CA 3.4Å; I610-D614 PolarHBondContact O-N 2.85Å; D614-D616 PolarHBondContact O-N 2.94Å; D614-D616 VanDerWaalsContact O-N 3.14Å; D614-G617 PolarHBondContact O-N 3.1Å; D614-G617 VanDerWaalsContact O-N 3.14Å; D614-G617 PolarHBondContact OD1-N 3.09Å; D614-G617 VanDerWaalsContact OD2-C 3.22Å; D614-G617 WeakPolarHBondContact OD2-CA 3.44Å; D614-M618 VanDerWaalsContact CG-N 3.27Å; D614-M618 WeakPolarHBondContact OD1-CB 3.34Å; D614-M618 PolarHBondContact OD1-N 3.47Å; D614-M618 PolarHBondContact OD2-N 3.35Å; D614-F619 HydrophobicContact CB-CD2 3.77Å; D614-F619 HydrophobicContact CB-CE2 4.3Å; D614-F619 WeakPolarHBondContact OD2-CD2 3.3Å; D614-F619 PolarHBondContact OD2-N 3.24Å
615	R	87.5	Confident	88.4	Confident	104 Å²	104	37.3 Å²	37.3	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.7	177.7	-168.6	-172.2	66.4	179.8	-1.5	113.4	T611 G617 Y635	T611-R615 WeakPolarHBondContact O-CB 3.27Å; R615-G617 VanDerWaalsContact C-N 3.33Å; R615-Y635 HydrophobicContact CG-CD2 3.84Å; R615-Y635 HydrophobicContact CG-CE2 4.38Å; R615-Y635 HydrophobicContact CG-CG 4.02Å; R615-Y635 VanDerWaalsContact CZ-CE1 3.46Å
616	D	89.1	Confident	88.5	Confident	16 Å²	16	35.8 Å²	35.8	9%	0.086	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.4	-172.5	-56	-26.3	0	0	0	112.1	R108 D614 Y639	R108-D616 IonicContact CZ-OD2 2.55Å; R108-D616 IonicContact NE-OD2 2.86Å; R108-D616 IonicContact NH2-OD2 2.86Å; R108-D616 PolarHBondContact NH2-OD2 2.86Å; D614-D616 PolarHBondContact O-N 2.94Å; D614-D616 VanDerWaalsContact O-N 3.14Å; D616-Y639 HydrophobicContact CB-CD2 3.54Å; D616-Y639 HydrophobicContact CB-CE2 4Å; D616-Y639 HydrophobicContact CB-CG 4.05Å; D616-Y639 WeakPolarHBondContact O-CB 3.27Å
617	G	89.8	Confident	88.6	Confident	8 Å²	8	36 Å²	36	8%	0.082	18%	0.179	C	C	.	.			trans	76.9	30.4	179.3	0	0	0	0	0	114.1	D614 R615 F619 L620	D614-G617 PolarHBondContact O-N 3.1Å; D614-G617 VanDerWaalsContact O-N 3.14Å; D614-G617 PolarHBondContact OD1-N 3.09Å; D614-G617 VanDerWaalsContact OD2-C 3.22Å; D614-G617 WeakPolarHBondContact OD2-CA 3.44Å; R615-G617 VanDerWaalsContact C-N 3.33Å; G617-F619 VanDerWaalsContact C-N 3.29Å; G617-F619 PolarHBondContact O-N 3.35Å; G617-L620 PolarHBondContact O-N 3.42Å
618	M	93.1	Very high	88.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.4	178.9	-170.4	-174.8	68	0	0	112.9	I104 R108 L112 M113 I114 C234 D614 Y639	I104-M618 HydrophobicContact CG2-CE 3.79Å; R108-M618 HydrophobicContact CB-SD 3.79Å; R108-M618 HydrophobicContact CG-SD 4.21Å; L112-M618 WeakPolarHBondContact O-CG 3.45Å; M113-M618 CarbonylContact C-O 3.54Å; M113-M618 VanDerWaalsContact CA-O 3.27Å; M113-M618 WeakPolarHBondContact CA-O 3.44Å; I114-M618 HydrophobicContact CB-CE 4.45Å; I114-M618 HydrophobicContact CD1-CE 3.57Å; I114-M618 HydrophobicContact CD1-CG 4.31Å; I114-M618 HydrophobicContact CD1-SD 3.68Å; I114-M618 HydrophobicContact CG1-CE 4.19Å; I114-M618 HydrophobicContact CG1-CG 4.13Å; I114-M618 HydrophobicContact CG1-SD 4.16Å; I114-M618 PolarHBondContact N-O 3.46Å; C234-M618 HydrophobicContact CB-CE 3.64Å; C234-M618 HydrophobicContact CB-SD 4.42Å; D614-M618 VanDerWaalsContact CG-N 3.27Å; D614-M618 WeakPolarHBondContact OD1-CB 3.34Å; D614-M618 PolarHBondContact OD1-N 3.47Å; D614-M618 PolarHBondContact OD2-N 3.35Å; M618-Y639 HydrophobicContact CB-CE1 4.46Å; M618-Y639 WeakPolarHBondContact CG-OH 3.47Å
619	F	92.9	Very high	88.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.5	177.1	-54.9	-69.9	0	0	0	113.4	I104 I114 R115 C234 G255 G258 V259 D614 G617	I104-F619 HydrophobicContact CD1-CZ 4.37Å; I114-F619 HydrophobicContact CB-CD1 3.79Å; I114-F619 HydrophobicContact CB-CE1 3.78Å; I114-F619 HydrophobicContact CD1-CE1 4.4Å; I114-F619 HydrophobicContact CG2-CD1 4.01Å; I114-F619 HydrophobicContact CG2-CE1 3.75Å; I114-F619 WeakPolarHBondContact O-CA 3.38Å; R115-F619 PolarHBondContact NH1-O 3.21Å; C234-F619 HydrophobicContact CB-CE2 3.89Å; G255-F619 WeakPolarHBondContact O-CB 3.47Å; G258-F619 VanDerWaalsContact CA-CE2 3.41Å; G258-F619 VanDerWaalsContact CA-CZ 3.41Å; V259-F619 HydrophobicContact CG2-CE1 4.42Å; D614-F619 HydrophobicContact CB-CD2 3.77Å; D614-F619 HydrophobicContact CB-CE2 4.3Å; D614-F619 WeakPolarHBondContact OD2-CD2 3.3Å; D614-F619 PolarHBondContact OD2-N 3.24Å; G617-F619 VanDerWaalsContact C-N 3.29Å; G617-F619 PolarHBondContact O-N 3.35Å
620	L	89	Confident	88.1	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.079	19%	0.19	C	C	.	.			trans	-96.5	112.9	-175.2	-175.3	67.9	0	0	0	110.7	L256 G617 L624 A625 Y629	L256-L620 HydrophobicContact CD2-CB 4.37Å; L256-L620 HydrophobicContact CD2-CD1 3.53Å; G617-L620 PolarHBondContact O-N 3.42Å; L620-L624 HydrophobicContact CD1-CB 3.88Å; L620-A625 HydrophobicContact CD1-CB 4.29Å; L620-A625 HydrophobicContact CD2-CB 3.91Å; L620-A625 HydrophobicContact CG-CB 3.96Å; L620-Y629 HydrophobicContact CD1-CE2 4.25Å; L620-Y629 HydrophobicContact CD2-CD2 4Å; L620-Y629 HydrophobicContact CD2-CE2 3.72Å
621	N	86.3	Confident	87.8	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.225	C	C	.	.			trans	-84.8	164.6	171.8	74.9	37.2	0	0	0	111.9	M113 L127 Y623 L624 A625	M113-N621 VanDerWaalsContact CE-CA 3.45Å; M113-N621 HydrophobicContact CE-CB 3.47Å; M113-N621 VanDerWaalsContact CE-CB 3.47Å; L127-N621 PolarHBondContact O-ND2 3.46Å; N621-Y623 PolarHBondContact O-N 2.99Å; N621-Y623 VanDerWaalsContact O-N 3.16Å; N621-Y623 WeakPolarHBondContact OD1-CA 3.43Å; N621-Y623 WeakPolarHBondContact OD1-CB 3.31Å; N621-Y623 PolarHBondContact OD1-N 3.3Å; N621-L624 PolarHBondContact O-N 3.1Å; N621-L624 PolarHBondContact OD1-N 3.21Å; N621-A625 VanDerWaalsContact O-CB 3.31Å; N621-A625 WeakPolarHBondContact O-CB 3.05Å; N621-A625 PolarHBondContact O-N 3Å
622	K	81.9	Confident	87.5	Confident	125 Å²	125	42.3 Å²	42.3	54%	0.543	22%	0.218	S	C	.	.	H	α-helix	trans	-56.7	-32	-178.4	68.7	-176.8	-178	-177.4	0	114.4	S626	K622-S626 WeakPolarHBondContact O-CB 3.24Å; K622-S626 PolarHBondContact O-N 2.72Å
623	Y	83.4	Confident	87.4	Confident	44 Å²	44	38.5 Å²	38.5	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-76.8	-49.5	-177.3	-62.2	-65.6	0	0	0	111.7	I126 K588 N621 A625 S626 I627	I126-Y623 HydrophobicContact CB-CE2 4.43Å; I126-Y623 HydrophobicContact CG2-CD1 4.27Å; I126-Y623 HydrophobicContact CG2-CD2 3.27Å; I126-Y623 HydrophobicContact CG2-CE1 4.12Å; I126-Y623 HydrophobicContact CG2-CE2 3Å; I126-Y623 HydrophobicContact CG2-CG 3.86Å; I126-Y623 VanDerWaalsContact CG2-CZ 3.42Å; K588-Y623 PolarHBondContact NZ-OH 2.99Å; N621-Y623 PolarHBondContact O-N 2.99Å; N621-Y623 VanDerWaalsContact O-N 3.16Å; N621-Y623 WeakPolarHBondContact OD1-CA 3.43Å; N621-Y623 WeakPolarHBondContact OD1-CB 3.31Å; N621-Y623 PolarHBondContact OD1-N 3.3Å; Y623-A625 PolarHBondContact O-N 3.49Å; Y623-S626 PolarHBondContact O-N 2.85Å; Y623-S626 VanDerWaalsContact O-N 3.13Å; Y623-S626 PolarHBondContact O-OG 2.95Å; Y623-I627 WeakPolarHBondContact O-CG1 3.19Å; Y623-I627 PolarHBondContact O-N 3.21Å
624	L	87.3	Confident	87.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-39.2	173.2	-65.2	177.3	0	0	0	110.1	L127 L254 L256 W581 L620 N621 S626 I627 F628	L127-L624 HydrophobicContact CD2-CD2 3.81Å; L127-L624 HydrophobicContact CD2-CG 4.13Å; L254-L624 HydrophobicContact CB-CD1 4.49Å; L254-L624 HydrophobicContact CD1-CD2 3.9Å; L256-L624 HydrophobicContact CD2-CB 4.29Å; L256-L624 HydrophobicContact CD2-CD1 3.72Å; L256-L624 HydrophobicContact CG-CD1 4.28Å; W581-L624 HydrophobicContact CZ3-CD2 4.25Å; L620-L624 HydrophobicContact CD1-CB 3.88Å; N621-L624 PolarHBondContact O-N 3.1Å; N621-L624 PolarHBondContact OD1-N 3.21Å; L624-S626 VanDerWaalsContact C-N 3.32Å; L624-S626 PolarHBondContact O-N 3.3Å; L624-I627 PolarHBondContact O-N 3.3Å; L624-I627 VanDerWaalsContact O-N 3.13Å; L624-F628 HydrophobicContact CB-CD2 4.3Å; L624-F628 HydrophobicContact CB-CE2 4.47Å; L624-F628 HydrophobicContact CD2-CE2 4.19Å; L624-F628 VanDerWaalsContact O-CD2 3.24Å; L624-F628 WeakPolarHBondContact O-CD2 3.33Å; L624-F628 PolarHBondContact O-N 2.92Å
625	A	87	Confident	87.1	Confident	16 Å²	16	49.7 Å²	49.7	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-55.6	-47.5	173.2	0	0	0	0	0	111.7	L620 N621 Y623 I627 F628 Y629	L620-A625 HydrophobicContact CD1-CB 4.29Å; L620-A625 HydrophobicContact CD2-CB 3.91Å; L620-A625 HydrophobicContact CG-CB 3.96Å; N621-A625 VanDerWaalsContact O-CB 3.31Å; N621-A625 WeakPolarHBondContact O-CB 3.05Å; N621-A625 PolarHBondContact O-N 3Å; Y623-A625 PolarHBondContact O-N 3.49Å; A625-I627 PolarHBondContact O-N 3.11Å; A625-F628 PolarHBondContact O-N 3.33Å; A625-Y629 WeakPolarHBondContact O-CA 3.25Å; A625-Y629 WeakPolarHBondContact O-CB 3.24Å; A625-Y629 PolarHBondContact O-N 3.4Å; A625-Y629 VanDerWaalsContact O-O 3.09Å
626	S	86.5	Confident	87.2	Confident	35 Å²	35	45.6 Å²	45.6	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-17.3	-179.9	77	0	0	0	0	115.1	R596 K622 Y623 L624	R596-S626 PolarHBondContact NE-O 3.3Å; R596-S626 PolarHBondContact NH2-O 3.44Å; K622-S626 WeakPolarHBondContact O-CB 3.24Å; K622-S626 PolarHBondContact O-N 2.72Å; Y623-S626 PolarHBondContact O-N 2.85Å; Y623-S626 VanDerWaalsContact O-N 3.13Å; Y623-S626 PolarHBondContact O-OG 2.95Å; L624-S626 VanDerWaalsContact C-N 3.32Å; L624-S626 PolarHBondContact O-N 3.3Å
627	I	88.9	Confident	87.2	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-89	-50.8	176.5	-67.3	169.8	0	0	0	109.9	W581 W585 L592 F595 L599 Y623 L624 A625	W581-I627 HydrophobicContact CH2-CD1 4.02Å; W581-I627 HydrophobicContact CH2-CG2 4.47Å; W581-I627 HydrophobicContact CZ3-CD1 3.95Å; W585-I627 HydrophobicContact CH2-CD1 3.98Å; L592-I627 HydrophobicContact CD2-CD1 3.79Å; L592-I627 HydrophobicContact CD2-CG1 3.62Å; F595-I627 HydrophobicContact CB-CD1 4.22Å; F595-I627 HydrophobicContact CB-CG1 4.28Å; F595-I627 HydrophobicContact CB-CG2 3.75Å; F595-I627 HydrophobicContact CD2-CD1 4.38Å; L599-I627 HydrophobicContact CD1-CG2 3.66Å; Y623-I627 WeakPolarHBondContact O-CG1 3.19Å; Y623-I627 PolarHBondContact O-N 3.21Å; L624-I627 PolarHBondContact O-N 3.3Å; L624-I627 VanDerWaalsContact O-N 3.13Å; A625-I627 PolarHBondContact O-N 3.11Å
628	F	87.3	Confident	87.3	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-83.2	-26.8	-172.3	-72.4	-71.6	0	0	0	113.9	L254 L256 L523 L599 A603 L606 K607 L624 A625	L254-F628 HydrophobicContact CD1-CE2 3.94Å; L254-F628 HydrophobicContact CD1-CZ 3.89Å; L256-F628 HydrophobicContact CD1-CD2 3.91Å; L256-F628 HydrophobicContact CD1-CE2 3.59Å; L256-F628 HydrophobicContact CD1-CZ 4.17Å; L523-F628 HydrophobicContact CD2-CE1 3.89Å; L523-F628 HydrophobicContact CD2-CZ 3.95Å; L599-F628 HydrophobicContact CD1-CE1 3.87Å; L599-F628 HydrophobicContact CD1-CZ 4.07Å; A603-F628 HydrophobicContact CB-CD1 3.61Å; A603-F628 HydrophobicContact CB-CE1 3.61Å; L606-F628 HydrophobicContact CD2-CE1 4.05Å; L606-F628 HydrophobicContact CD2-CZ 4.18Å; K607-F628 WeakPolarHBondContact CE-O 3.16Å; K607-F628 PolarHBondContact NZ-O 3.31Å; L624-F628 HydrophobicContact CB-CD2 4.3Å; L624-F628 HydrophobicContact CB-CE2 4.47Å; L624-F628 HydrophobicContact CD2-CE2 4.19Å; L624-F628 VanDerWaalsContact O-CD2 3.24Å; L624-F628 WeakPolarHBondContact O-CD2 3.33Å; L624-F628 PolarHBondContact O-N 2.92Å; A625-F628 PolarHBondContact O-N 3.33Å
629	Y	86.3	Confident	87.2	Confident	34 Å²	34	53.4 Å²	53.4	13%	0.133	27%	0.266	C	S	.	.			trans	-127.3	134	-172.9	-55.8	-81.9	0	0	0	110.7	K607 L620 A625 K631	K607-Y629 HydrophobicContact CD-CD1 4.43Å; K607-Y629 HydrophobicContact CD-CE1 3.99Å; K607-Y629 HydrophobicContact CG-CE1 4.16Å; L620-Y629 HydrophobicContact CD1-CE2 4.25Å; L620-Y629 HydrophobicContact CD2-CD2 4Å; L620-Y629 HydrophobicContact CD2-CE2 3.72Å; A625-Y629 WeakPolarHBondContact O-CA 3.25Å; A625-Y629 WeakPolarHBondContact O-CB 3.24Å; A625-Y629 PolarHBondContact O-N 3.4Å; A625-Y629 VanDerWaalsContact O-O 3.09Å; Y629-K631 VanDerWaalsContact C-N 3.33Å
630	S	82.5	Confident	87	Confident	124 Å²	124	57.5 Å²	57.5	87%	0.867	29%	0.285	S	S	*	.	S	Bend	trans	-71.2	-32.5	171	54.2	0	0	0	0	111.6
631	K	84	Confident	87	Confident	168 Å²	168	59.5 Å²	59.5	73%	0.73	30%	0.301	S	S	*	.	S	Bend	trans	-143.5	141.8	176	-66.9	178.6	-177.6	168.9	0	109.6	Y629	Y629-K631 VanDerWaalsContact C-N 3.33Å
632	S	82.9	Confident	87.3	Confident	46 Å²	46	62.8 Å²	62.8	32%	0.322	32%	0.316	S	S	.	.			trans	-61.4	140.9	171.8	-48.6	0	0	0	0	110.7	K637	S632-K637 WeakPolarHBondContact O-CE 3.41Å
633	T	86.1	Confident	87.7	Confident	49 Å²	49	57.5 Å²	57.5	30%	0.301	29%	0.292	S	S	.	.			trans	-68.2	163.4	176.7	71.7	0	0	0	0	111.1	Y635 Q636 K637	T633-Y635 VanDerWaalsContact C-N 3.29Å; T633-Y635 PolarHBondContact O-N 2.98Å; T633-Q636 PolarHBondContact O-N 3.01Å; T633-Q636 VanDerWaalsContact OG1-CD 3.29Å; T633-Q636 VanDerWaalsContact OG1-CG 3.25Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.36Å; T633-Q636 PolarHBondContact OG1-N 3.4Å; T633-Q636 PolarHBondContact OG1-OE1 2.93Å; T633-K637 WeakPolarHBondContact O-CG 3.3Å; T633-K637 PolarHBondContact O-N 2.84Å
634	F	88.9	Confident	88	Confident	145 Å²	145	59 Å²	59	64%	0.636	30%	0.304	S	S	*	.	H	α-helix	trans	-53.8	-46.3	175	172.7	-98.4	0	0	0	112.1	Q636 K637 L638	F634-Q636 PolarHBondContact O-N 3.17Å; F634-K637 PolarHBondContact O-N 2.71Å; F634-L638 HydrophobicContact CE1-CD2 4.14Å; F634-L638 HydrophobicContact CZ-CD2 4.39Å; F634-L638 WeakPolarHBondContact O-CB 3.46Å; F634-L638 PolarHBondContact O-N 3.17Å
635	Y	88.5	Confident	88	Confident	93 Å²	93	64 Å²	64	37%	0.365	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-39.9	-178.8	-65.8	-71.9	0	0	0	112.6	R615 T633 L638 Y639	R615-Y635 HydrophobicContact CG-CD2 3.84Å; R615-Y635 HydrophobicContact CG-CE2 4.38Å; R615-Y635 HydrophobicContact CG-CG 4.02Å; R615-Y635 VanDerWaalsContact CZ-CE1 3.46Å; T633-Y635 VanDerWaalsContact C-N 3.29Å; T633-Y635 PolarHBondContact O-N 2.98Å; Y635-L638 PolarHBondContact O-N 2.65Å; Y635-Y639 WeakPolarHBondContact O-CB 3.37Å; Y635-Y639 PolarHBondContact O-N 2.59Å
636	Q	88.8	Confident	88	Confident	18 Å²	18	65.4 Å²	65.4	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-45.9	175.7	-71.1	164.8	-4.6	0	0	111.4	T633 F634 L638 Y639 E640	T633-Q636 PolarHBondContact O-N 3.01Å; T633-Q636 VanDerWaalsContact OG1-CD 3.29Å; T633-Q636 VanDerWaalsContact OG1-CG 3.25Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.36Å; T633-Q636 PolarHBondContact OG1-N 3.4Å; T633-Q636 PolarHBondContact OG1-OE1 2.93Å; F634-Q636 PolarHBondContact O-N 3.17Å; Q636-L638 PolarHBondContact O-N 3.04Å; Q636-Y639 PolarHBondContact O-N 3.31Å; Q636-E640 WeakPolarHBondContact O-CB 3.49Å; Q636-E640 PolarHBondContact O-N 3.44Å
637	K	89.5	Confident	88	Confident	115 Å²	115	64.9 Å²	64.9	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-41.4	176.5	-69.7	179	-179.9	177.7	0	112	S632 T633 F634 E640 S641	S632-K637 WeakPolarHBondContact O-CE 3.41Å; T633-K637 WeakPolarHBondContact O-CG 3.3Å; T633-K637 PolarHBondContact O-N 2.84Å; F634-K637 PolarHBondContact O-N 2.71Å; K637-E640 PolarHBondContact O-N 2.92Å; K637-S641 WeakPolarHBondContact O-CB 3.41Å; K637-S641 PolarHBondContact O-N 3.05Å
638	L	91.7	Very high	87.8	Confident	69 Å²	69	70.5 Å²	70.5	36%	0.361	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-43.7	177	-179.7	62.6	0	0	0	111.2	F634 Y635 Q636 S641 Q642	F634-L638 HydrophobicContact CE1-CD2 4.14Å; F634-L638 HydrophobicContact CZ-CD2 4.39Å; F634-L638 WeakPolarHBondContact O-CB 3.46Å; F634-L638 PolarHBondContact O-N 3.17Å; Y635-L638 PolarHBondContact O-N 2.65Å; Q636-L638 PolarHBondContact O-N 3.04Å; L638-S641 PolarHBondContact O-N 3.24Å; L638-Q642 HydrophobicContact CD1-CG 4.38Å; L638-Q642 WeakPolarHBondContact O-CB 3.48Å; L638-Q642 VanDerWaalsContact O-CG 3.26Å; L638-Q642 WeakPolarHBondContact O-CG 3.15Å; L638-Q642 PolarHBondContact O-N 3.5Å
639	Y	90.8	Very high	87.7	Confident	5 Å²	5	75.2 Å²	75.2	2%	0.02	39%	0.391	C	S	.	.	H	α-helix	trans	-64.1	-42.4	178.2	-165	-92.3	0	0	0	111.7	R108 K111 L112 D616 M618 Y635 Q636 Q642 R643	R108-Y639 HydrophobicContact CG-CE2 4.44Å; K111-Y639 VanDerWaalsContact CA-CZ 3.5Å; K111-Y639 WeakPolarHBondContact CA-OH 3.44Å; K111-Y639 HydrophobicContact CB-CD1 4.4Å; K111-Y639 HydrophobicContact CB-CE1 4.04Å; K111-Y639 HydrophobicContact CB-CE2 4.38Å; K111-Y639 HydrophobicContact CD-CD2 3.56Å; K111-Y639 HydrophobicContact CD-CE1 4.46Å; K111-Y639 HydrophobicContact CD-CE2 3.34Å; K111-Y639 HydrophobicContact CD-CG 4.25Å; K111-Y639 HydrophobicContact CG-CE2 4.48Å; K111-Y639 WeakPolarHBondContact O-CE1 3.36Å; L112-Y639 PolarHBondContact O-OH 3.08Å; D616-Y639 HydrophobicContact CB-CD2 3.54Å; D616-Y639 HydrophobicContact CB-CE2 4Å; D616-Y639 HydrophobicContact CB-CG 4.05Å; D616-Y639 WeakPolarHBondContact O-CB 3.27Å; M618-Y639 HydrophobicContact CB-CE1 4.46Å; M618-Y639 WeakPolarHBondContact CG-OH 3.47Å; Y635-Y639 WeakPolarHBondContact O-CB 3.37Å; Y635-Y639 PolarHBondContact O-N 2.59Å; Q636-Y639 PolarHBondContact O-N 3.31Å; Y639-Q642 PolarHBondContact O-N 3.04Å; Y639-R643 WeakPolarHBondContact O-CB 3.37Å; Y639-R643 PolarHBondContact O-N 3.4Å
640	E	88.7	Confident	87.4	Confident	88 Å²	88	76.5 Å²	76.5	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-44.6	173.5	170.8	161.8	-133.7	0	0	112.7	Q636 K637 R643 N644	Q636-E640 WeakPolarHBondContact O-CB 3.49Å; Q636-E640 PolarHBondContact O-N 3.44Å; K637-E640 PolarHBondContact O-N 2.92Å; E640-R643 WeakPolarHBondContact O-CB 3.35Å; E640-R643 PolarHBondContact O-N 3.16Å; E640-R643 IonicContact OE1-NH2 2.78Å; E640-R643 PolarHBondContact OE1-NH2 3.41Å; E640-N644 VanDerWaalsContact O-CG 3.23Å; E640-N644 PolarHBondContact O-N 2.66Å; E640-N644 PolarHBondContact O-ND2 3.07Å; E640-N644 PolarHBondContact O-OD1 3.32Å
641	S	91	Very high	87.6	Confident	58 Å²	58	74.1 Å²	74.1	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-48.6	175.6	-170.8	0	0	0	0	111.4	K637 L638 R643 N644 D645	K637-S641 WeakPolarHBondContact O-CB 3.41Å; K637-S641 PolarHBondContact O-N 3.05Å; L638-S641 PolarHBondContact O-N 3.24Å; S641-R643 VanDerWaalsContact C-N 3.27Å; S641-R643 PolarHBondContact O-N 3.46Å; S641-N644 PolarHBondContact O-N 2.98Å; S641-N644 VanDerWaalsContact O-N 3.13Å; S641-D645 VanDerWaalsContact O-CG 3.29Å; S641-D645 PolarHBondContact O-N 3.26Å
642	Q	91.7	Very high	87.8	Confident	73 Å²	73	69.2 Å²	69.2	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-35.5	178.6	-71.8	175.7	-10.4	0	0	112.3	K111 L638 Y639 Y646	K111-Q642 HydrophobicContact CD-CB 4.29Å; K111-Q642 HydrophobicContact CG-CB 3.95Å; L638-Q642 HydrophobicContact CD1-CG 4.38Å; L638-Q642 WeakPolarHBondContact O-CB 3.48Å; L638-Q642 VanDerWaalsContact O-CG 3.26Å; L638-Q642 WeakPolarHBondContact O-CG 3.15Å; L638-Q642 PolarHBondContact O-N 3.5Å; Y639-Q642 PolarHBondContact O-N 3.04Å; Q642-Y646 WeakPolarHBondContact O-CB 3.36Å; Q642-Y646 PolarHBondContact O-N 3.18Å
643	R	90.4	Very high	88.1	Confident	13 Å²	13	70.4 Å²	70.4	5%	0.049	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-52.4	171.8	179.3	-177.6	56.7	-126.4	5.2	110.2	K111 Y639 E640 S641 D645 Y646 L647	K111-R643 HydrophobicContact CB-CB 3.72Å; K111-R643 HydrophobicContact CB-CG 4.44Å; K111-R643 WeakPolarHBondContact O-CB 3.49Å; K111-R643 VanDerWaalsContact O-CD 3.28Å; K111-R643 WeakPolarHBondContact O-CD 3.45Å; K111-R643 WeakPolarHBondContact O-CG 3.38Å; Y639-R643 WeakPolarHBondContact O-CB 3.37Å; Y639-R643 PolarHBondContact O-N 3.4Å; E640-R643 WeakPolarHBondContact O-CB 3.35Å; E640-R643 PolarHBondContact O-N 3.16Å; E640-R643 IonicContact OE1-NH2 2.78Å; E640-R643 PolarHBondContact OE1-NH2 3.41Å; S641-R643 VanDerWaalsContact C-N 3.27Å; S641-R643 PolarHBondContact O-N 3.46Å; R643-D645 VanDerWaalsContact C-N 3.3Å; R643-D645 PolarHBondContact O-N 3.07Å; R643-Y646 WeakPolarHBondContact O-CB 3.43Å; R643-Y646 PolarHBondContact O-N 2.71Å; R643-Y646 VanDerWaalsContact O-N 3.09Å; R643-L647 HydrophobicContact CG-CD1 3.79Å; R643-L647 HydrophobicContact CG-CG 4.04Å; R643-L647 WeakPolarHBondContact O-CB 3.29Å; R643-L647 VanDerWaalsContact O-CG 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.3Å; R643-L647 PolarHBondContact O-N 3.14Å
644	N	88.7	Confident	88.2	Confident	77 Å²	77	71.7 Å²	71.7	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-42.6	-177.7	-65	-13.8	0	0	0	111.3	E640 S641 Y646 L647 V648	E640-N644 VanDerWaalsContact O-CG 3.23Å; E640-N644 PolarHBondContact O-N 2.66Å; E640-N644 PolarHBondContact O-ND2 3.07Å; E640-N644 PolarHBondContact O-OD1 3.32Å; S641-N644 PolarHBondContact O-N 2.98Å; S641-N644 VanDerWaalsContact O-N 3.13Å; N644-Y646 VanDerWaalsContact C-N 3.33Å; N644-Y646 PolarHBondContact O-N 2.74Å; N644-L647 PolarHBondContact O-N 3.18Å; N644-V648 WeakPolarHBondContact O-CG2 3.43Å; N644-V648 PolarHBondContact O-N 3.04Å; N644-V648 VanDerWaalsContact O-N 3.1Å
645	D	88.8	Confident	88.1	Confident	105 Å²	105	67.1 Å²	67.1	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-59.9	-44	174.7	-65	-24.3	0	0	0	111.4	S641 R643 V648	S641-D645 VanDerWaalsContact O-CG 3.29Å; S641-D645 PolarHBondContact O-N 3.26Å; R643-D645 VanDerWaalsContact C-N 3.3Å; R643-D645 PolarHBondContact O-N 3.07Å; D645-V648 PolarHBondContact O-N 2.88Å
646	Y	86.1	Confident	88.1	Confident	46 Å²	46	65.4 Å²	65.4	18%	0.18	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-43.6	177.2	178.4	-108	0	0	0	112.4	L58 R65 M110 Q642 R643 N644 V648 T649 I650	L58-Y646 HydrophobicContact CD1-CE1 4.37Å; R65-Y646 PolarHBondContact NH2-OH 3.29Å; M110-Y646 HydrophobicContact CB-CD1 4.24Å; M110-Y646 HydrophobicContact CB-CE1 3.72Å; M110-Y646 HydrophobicContact CE-CE1 3.72Å; M110-Y646 HydrophobicContact CG-CE1 3.86Å; M110-Y646 WeakPolarHBondContact O-CD1 3.32Å; Q642-Y646 WeakPolarHBondContact O-CB 3.36Å; Q642-Y646 PolarHBondContact O-N 3.18Å; R643-Y646 WeakPolarHBondContact O-CB 3.43Å; R643-Y646 PolarHBondContact O-N 2.71Å; R643-Y646 VanDerWaalsContact O-N 3.09Å; N644-Y646 VanDerWaalsContact C-N 3.33Å; N644-Y646 PolarHBondContact O-N 2.74Å; Y646-V648 PolarHBondContact O-N 2.95Å; Y646-T649 WeakPolarHBondContact O-CB 3.37Å; Y646-T649 PolarHBondContact O-N 3.23Å; Y646-T649 PolarHBondContact O-OG1 3.46Å; Y646-I650 HydrophobicContact CD1-CD1 4.36Å; Y646-I650 HydrophobicContact CE1-CD1 3.66Å; Y646-I650 HydrophobicContact CE1-CG1 4.45Å
647	L	85.7	Confident	88.1	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-29.4	179.1	-68.8	179.7	0	0	0	112.2	F54 L58 L112 H132 R643 N644 T649 I650	F54-L647 HydrophobicContact CE1-CD2 4.35Å; F54-L647 WeakPolarHBondContact CE2-O 3.43Å; F54-L647 HydrophobicContact CZ-CB 3.93Å; F54-L647 HydrophobicContact CZ-CD2 3.71Å; F54-L647 HydrophobicContact CZ-CG 4.22Å; L58-L647 HydrophobicContact CD1-CD2 3.82Å; L58-L647 HydrophobicContact CD2-CD2 4.32Å; L112-L647 HydrophobicContact CD2-CD2 4.31Å; H132-L647 HydrophobicContact CB-CD1 4.26Å; R643-L647 HydrophobicContact CG-CD1 3.79Å; R643-L647 HydrophobicContact CG-CG 4.04Å; R643-L647 WeakPolarHBondContact O-CB 3.29Å; R643-L647 VanDerWaalsContact O-CG 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.3Å; R643-L647 PolarHBondContact O-N 3.14Å; N644-L647 PolarHBondContact O-N 3.18Å; L647-T649 VanDerWaalsContact C-N 3.25Å; L647-T649 PolarHBondContact O-N 3.32Å; L647-I650 PolarHBondContact O-N 3.37Å
648	V	85.4	Confident	87.9	Confident	124 Å²	124	65.2 Å²	65.2	75%	0.752	35%	0.352	S	S	*	.	H	α-helix	trans	-70.8	-20.4	173.5	171.4	0	0	0	0	112.6	N644 D645 Y646	N644-V648 WeakPolarHBondContact O-CG2 3.43Å; N644-V648 PolarHBondContact O-N 3.04Å; N644-V648 VanDerWaalsContact O-N 3.1Å; D645-V648 PolarHBondContact O-N 2.88Å; Y646-V648 PolarHBondContact O-N 2.95Å
649	T	84.7	Confident	87.6	Confident	106 Å²	106	64.9 Å²	64.9	65%	0.65	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.9	178.7	67.3	0	0	0	0	114.4	Y646 L647	Y646-T649 WeakPolarHBondContact O-CB 3.37Å; Y646-T649 PolarHBondContact O-N 3.23Å; Y646-T649 PolarHBondContact O-OG1 3.46Å; L647-T649 VanDerWaalsContact C-N 3.25Å; L647-T649 PolarHBondContact O-N 3.32Å
650	I	79.7	Confident	87.3	Confident	61 Å²	61	70.4 Å²	70.4	31%	0.313	38%	0.381	S	S	.	.			trans	-88.9	0	172.2	-62.8	179.2	0	0	0	106.9	F54 Q57 L58 Y646 L647	F54-I650 HydrophobicContact CD2-CG2 4.08Å; F54-I650 HydrophobicContact CE2-CB 3.99Å; F54-I650 HydrophobicContact CE2-CG2 3.97Å; Q57-I650 HydrophobicContact CB-CG2 3.87Å; L58-I650 HydrophobicContact CD1-CD1 3.38Å; Y646-I650 HydrophobicContact CD1-CD1 4.36Å; Y646-I650 HydrophobicContact CE1-CD1 3.66Å; Y646-I650 HydrophobicContact CE1-CG1 4.45Å; L647-I650 PolarHBondContact O-N 3.37Å

Retrieved 650 of 650 residues in 215.6 ms (Link to these results)

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