A0A087WSW7_HUMAN Loading...

Proliferation-associated SNF2-like protein

Plays an essential role in normal development and survival. Involved in regulation of the expansion or survival of lymphoid cells. Required for de novo or maintenance DNA methylation. May control silencing of the imprinted CDKN1C gene through DNA methylation. May play a role in formation and organization of heterochromatin, implying a functional role in the regulation of transcription and mitosis.

AlphaFold DB , UniProt , Accession A0A087WSW7, Species HUMAN (Homo sapiens, Human), Gene HELLS, Length 700 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	34.1	Very low	245 Å²	245	151 Å²	151	100%	1.207	75%	0.75	S	S	*	*				0	70.4	0	-162.2	-173.9	-84.6	0	0	109.1
2	Q	34.3	Very low	34.2	Very low	193 Å²	193	146.1 Å²	146.1	90%	0.902	73%	0.734	S	S	*	*			trans	-165.4	45	179.7	-119.6	179.2	12.6	0	0	112.7
3	V	32.2	Very low	34.2	Very low	135 Å²	135	139.9 Å²	139.9	82%	0.818	72%	0.719	S	S	*	*			trans	-117	2.5	175.3	-178.5	0	0	0	0	112.1
4	K	30.2	Very low	34.1	Very low	180 Å²	180	140.9 Å²	140.9	78%	0.783	72%	0.716	S	S	*	*			trans	-89.5	-4.1	-173	-80	-170.7	172.9	-175.1	0	116.8
5	R	37.1	Very low	33.8	Very low	214 Å²	214	141.9 Å²	141.9	81%	0.808	71%	0.713	S	S	*	*	H	α-helix	trans	-88.4	-16.3	-173	-110.2	176.9	-179.4	164.2	-0.2	116.4
6	S	34.3	Very low	33.6	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	71%	0.71	S	S	*	*	H	α-helix	trans	-90.9	-19.1	-178	-54	0	0	0	0	114
7	Q	34.7	Very low	33.5	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	71%	0.709	S	S	*	*	H	α-helix	trans	-83.9	-25.6	177.6	-80.3	-174.6	-26.9	0	0	113.4	S11	Q7-S11 PolarHBondContact O-N 2.95Å; Q7-S11 PolarHBondContact O-OG 3.22Å
8	E	34.7	Very low	33.3	Very low	133 Å²	133	143.6 Å²	143.6	62%	0.621	71%	0.711	S	S	*	*	H	α-helix	trans	-75	-26.8	175.4	-79.6	177.4	159.1	0	0	113.1	S11 V12	E8-S11 WeakPolarHBondContact CA-OG 3.42Å; E8-S11 PolarHBondContact O-OG 3.24Å; E8-V12 WeakPolarHBondContact O-CG2 3.29Å; E8-V12 PolarHBondContact O-N 3.41Å
9	I	37.3	Very low	32.9	Very low	128 Å²	128	144.6 Å²	144.6	66%	0.656	71%	0.714	S	S	*	*	H	α-helix	trans	-77.3	-33.2	178.1	-59	172.4	0	0	0	110.8	A13	I9-A13 PolarHBondContact O-N 3.23Å
10	L	32.7	Very low	32.7	Very low	116 Å²	116	144.8 Å²	144.8	61%	0.607	72%	0.718	S	S	*	*	H	α-helix	trans	-77.4	-23.2	175.8	-104	126.7	0	0	0	113.6	K14	L10-K14 PolarHBondContact O-N 3.05Å
11	S	32	Very low	32.5	Very low	65 Å²	65	144.9 Å²	144.9	46%	0.455	72%	0.716	S	S	.	*	H	α-helix	trans	-79	-33	176	64	0	0	0	0	112.3	Q7 E8 K14 K15	Q7-S11 PolarHBondContact O-N 2.95Å; Q7-S11 PolarHBondContact O-OG 3.22Å; E8-S11 WeakPolarHBondContact CA-OG 3.42Å; E8-S11 PolarHBondContact O-OG 3.24Å; S11-K14 PolarHBondContact O-N 3.17Å; S11-K15 PolarHBondContact O-N 3.06Å
12	V	35.3	Very low	32.1	Very low	92 Å²	92	141 Å²	141	56%	0.558	70%	0.7	S	S	*	*	H	α-helix	trans	-68.7	-39	173.4	177	0	0	0	0	111.3	E8 K14 K15 N16	E8-V12 WeakPolarHBondContact O-CG2 3.29Å; E8-V12 PolarHBondContact O-N 3.41Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.37Å; V12-K15 PolarHBondContact O-N 3.05Å; V12-N16 PolarHBondContact O-N 2.8Å
13	A	33.6	Very low	31.9	Very low	66 Å²	66	140.3 Å²	140.3	55%	0.545	70%	0.697	S	S	.	*	H	α-helix	trans	-68.8	-24.8	174.6	0	0	0	0	0	113.8	I9	I9-A13 PolarHBondContact O-N 3.23Å
14	K	32.7	Very low	31.6	Very low	153 Å²	153	141.2 Å²	141.2	67%	0.665	70%	0.698	S	S	*	*	H	α-helix	trans	-86.8	-25.1	174.5	-85.6	-177.7	173.7	179.6	0	113.6	L10 S11 V12 K17	L10-K14 PolarHBondContact O-N 3.05Å; S11-K14 PolarHBondContact O-N 3.17Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.37Å; K14-K17 PolarHBondContact O-N 3.19Å
15	K	30.2	Very low	31.6	Very low	157 Å²	157	138.9 Å²	138.9	68%	0.683	70%	0.704	S	S	*	*	H	α-helix	trans	-73.1	-39.5	175.3	-124.9	-179.5	177	-172.2	0	111.9	S11 V12 K17 K18	S11-K15 PolarHBondContact O-N 3.06Å; V12-K15 PolarHBondContact O-N 3.05Å; K15-K17 PolarHBondContact O-N 2.89Å; K15-K17 VanDerWaalsContact O-N 3.14Å; K15-K18 PolarHBondContact O-N 3.46Å
16	N	31.3	Very low	31	Very low	122 Å²	122	132.7 Å²	132.7	65%	0.652	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-8.5	174.3	-76.4	6.7	0	0	0	114.3	V12	V12-N16 PolarHBondContact O-N 2.8Å
17	K	31.9	Very low	30.8	Very low	160 Å²	160	133.9 Å²	133.9	70%	0.696	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-4.2	178.4	-146.9	176	-177.1	179.8	0	113.4	K14 K15	K14-K17 PolarHBondContact O-N 3.19Å; K15-K17 PolarHBondContact O-N 2.89Å; K15-K17 VanDerWaalsContact O-N 3.14Å
18	K	28.5	Very low	30.4	Very low	173 Å²	173	132.2 Å²	132.2	75%	0.752	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-7.3	-176	-106.3	-173.1	174.2	-168.5	0	115.3	K15	K15-K18 PolarHBondContact O-N 3.46Å
19	E	26.8	Very low	30.2	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	71%	0.712	S	S	*	*	S	Bend	trans	-99.1	3.5	176.1	-78	178.3	174.5	0	0	113.6
20	N	29	Very low	29.9	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	72%	0.718	S	S	*	*	S	Bend	trans	-119.2	18.4	178.7	-84	-3.2	0	0	0	113.8
21	E	27.1	Very low	29.6	Very low	146 Å²	146	131.9 Å²	131.9	68%	0.682	71%	0.711	S	S	*	*	S	Bend	trans	-97.9	-5	-179.6	-84	-175.1	164.4	0	0	115.1
22	D	28.1	Very low	29.7	Very low	163 Å²	163	134.1 Å²	134.1	87%	0.872	72%	0.721	S	S	*	*	S	Bend	trans	-122.5	73.8	177.3	-72	-36.5	0	0	0	110.8
23	E	31.5	Very low	29.4	Very low	179 Å²	179	135.5 Å²	135.5	84%	0.836	72%	0.722	S	S	*	*	S	Bend	trans	164.7	82.5	150.6	-94	178.1	-170.4	0	0	110.3
24	N	25.7	Very low	29.3	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	72%	0.72	S	S	*	*			trans	172.7	84.7	139.3	-93.8	-33.2	0	0	0	111	S26	N24-S26 VanDerWaalsContact C-N 3.32Å; N24-S26 PolarHBondContact O-N 2.93Å; N24-S26 VanDerWaalsContact O-N 3.16Å
25	S	28.8	Very low	29.5	Very low	130 Å²	130	136.2 Å²	136.2	91%	0.909	72%	0.723	S	S	*	*			trans	-76.6	84	157.3	56	0	0	0	0	109.3
26	S	25.4	Very low	29.7	Very low	85 Å²	85	133.9 Å²	133.9	59%	0.594	71%	0.714	S	S	*	*	S	Bend	trans	-159.1	130.8	151.7	57.8	0	0	0	0	110.1	N24 T28	N24-S26 VanDerWaalsContact C-N 3.32Å; N24-S26 PolarHBondContact O-N 2.93Å; N24-S26 VanDerWaalsContact O-N 3.16Å; S26-T28 PolarHBondContact O-N 3.24Å
27	S	29.3	Very low	29.7	Very low	118 Å²	118	135.6 Å²	135.6	83%	0.825	72%	0.716	S	S	*	*			trans	-43.4	113.4	177.9	51.5	0	0	0	0	113.5	N29	S27-N29 PolarHBondContact O-N 3.45Å
28	T	26.2	Very low	29.8	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	71%	0.712	S	S	*	*			trans	-95	97.6	173.5	19.5	0	0	0	0	110.1	S26 L30	S26-T28 PolarHBondContact O-N 3.24Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 VanDerWaalsContact O-N 3.07Å
29	N	32.2	Very low	30.2	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	70%	0.699	S	S	*	*			trans	-56.9	99.6	147.6	-77.6	-36.3	0	0	0	107.1	S27 C31	S27-N29 PolarHBondContact O-N 3.45Å; N29-C31 PolarHBondContact O-N 3.38Å
30	L	29	Very low	30.6	Very low	151 Å²	151	127.9 Å²	127.9	79%	0.791	69%	0.69	S	S	*	*			trans	-71.1	102.7	166.9	-118.3	91.5	0	0	0	107.2	T28	T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 VanDerWaalsContact O-N 3.07Å
31	C	27.9	Very low	31.3	Very low	66 Å²	66	123.8 Å²	123.8	45%	0.446	67%	0.674	S	S	.	*			trans	-73.2	149.4	-169.8	-159.5	0	0	0	0	111.5	N29 E33 D34	N29-C31 PolarHBondContact O-N 3.38Å; C31-E33 HydrophobicContact CB-CB 4.28Å; C31-E33 HydrophobicContact CB-CG 4.39Å; C31-E33 PolarHBondContact O-N 3.42Å; C31-D34 PolarHBondContact O-N 3.21Å
32	V	32.8	Very low	31.8	Very low	112 Å²	112	122.3 Å²	122.3	68%	0.679	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-14.1	170.4	173.7	0	0	0	0	113.2	D34 L35	V32-D34 PolarHBondContact O-N 3.31Å; V32-L35 PolarHBondContact O-N 3.44Å
33	E	28.9	Very low	32.5	Very low	121 Å²	121	117.1 Å²	117.1	57%	0.565	65%	0.647	S	S	*	*	H	α-helix	trans	-66.2	-29.4	179.2	-69.7	176.4	169	0	0	114.6	C31 Q36 K37	C31-E33 HydrophobicContact CB-CB 4.28Å; C31-E33 HydrophobicContact CB-CG 4.39Å; C31-E33 PolarHBondContact O-N 3.42Å; E33-Q36 VanDerWaalsContact O-CB 3.29Å; E33-Q36 WeakPolarHBondContact O-CB 3.39Å; E33-Q36 PolarHBondContact O-N 3.21Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; E33-K37 PolarHBondContact O-N 3.29Å
34	D	32	Very low	32.9	Very low	93 Å²	93	112.9 Å²	112.9	50%	0.497	63%	0.629	S	S	.	*	H	α-helix	trans	-77.5	-23.6	-179.9	-73.4	-27.4	0	0	0	113.1	C31 V32 Q36	C31-D34 PolarHBondContact O-N 3.21Å; V32-D34 PolarHBondContact O-N 3.31Å; D34-Q36 VanDerWaalsContact C-N 3.26Å
35	L	36.8	Very low	33.8	Very low	140 Å²	140	109.3 Å²	109.3	73%	0.733	61%	0.609	S	S	*	*	H	α-helix	trans	-75.1	-18.4	167.9	-80	163	0	0	0	112.2	V32	V32-L35 PolarHBondContact O-N 3.44Å
36	Q	34.6	Very low	34.5	Very low	108 Å²	108	106.3 Å²	106.3	51%	0.505	58%	0.58	S	S	.	*	H	α-helix	trans	-83.9	-27.8	-179	-127.5	158	-13.3	0	0	112.5	E33 D34 K39	E33-Q36 VanDerWaalsContact O-CB 3.29Å; E33-Q36 WeakPolarHBondContact O-CB 3.39Å; E33-Q36 PolarHBondContact O-N 3.21Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; D34-Q36 VanDerWaalsContact C-N 3.26Å; Q36-K39 HydrophobicContact CG-CD 4.38Å; Q36-K39 WeakPolarHBondContact O-CB 3.48Å; Q36-K39 PolarHBondContact O-N 3.34Å
37	K	32.3	Very low	35.4	Very low	158 Å²	158	104.9 Å²	104.9	69%	0.687	57%	0.565	S	S	*	*	H	α-helix	trans	-76.3	-21.6	176.5	-73.8	176.3	-179.1	165.3	0	114.3	E33	E33-K37 PolarHBondContact O-N 3.29Å
38	N	32.1	Very low	35.9	Very low	113 Å²	113	107.8 Å²	107.8	60%	0.604	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	2.4	174.9	-77	-35.6	0	0	0	113.9
39	K	38.8	Very low	36.6	Very low	114 Å²	114	105.3 Å²	105.3	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-76.3	-27.1	-177.4	-112.6	174.4	177.8	178.5	0	113.6	Q36 S43	Q36-K39 HydrophobicContact CG-CD 4.38Å; Q36-K39 WeakPolarHBondContact O-CB 3.48Å; Q36-K39 PolarHBondContact O-N 3.34Å; K39-S43 PolarHBondContact O-OG 3.49Å
40	D	33.2	Very low	37.2	Very low	107 Å²	107	99.3 Å²	99.3	57%	0.572	51%	0.51	S	S	*	.	H	α-helix	trans	-77.7	-28.8	-175	-65.1	-19	0	0	0	112.2	S43 I44	D40-S43 PolarHBondContact O-OG 3.23Å; D40-I44 WeakPolarHBondContact O-CB 3.46Å; D40-I44 WeakPolarHBondContact O-CD1 3.39Å; D40-I44 WeakPolarHBondContact O-CG1 3.26Å; D40-I44 PolarHBondContact O-N 3.14Å
41	S	44.8	Very low	37.8	Very low	64 Å²	64	96.4 Å²	96.4	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-71.6	-44	-178.5	-38.9	0	0	0	0	112.5	I45	S41-I45 WeakPolarHBondContact O-CB 3.45Å; S41-I45 WeakPolarHBondContact O-CD1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.33Å; S41-I45 PolarHBondContact O-N 3.47Å; S41-I45 VanDerWaalsContact O-N 3.13Å
42	N	37.8	Very low	38.2	Very low	115 Å²	115	96.5 Å²	96.5	62%	0.615	49%	0.491	S	S	*	.	H	α-helix	trans	-80.9	-29	-171.9	-78.7	-29.3	0	0	0	113.9	K46	N42-K46 WeakPolarHBondContact O-CB 3.14Å; N42-K46 PolarHBondContact O-N 3.41Å; N42-K46 VanDerWaalsContact O-N 3.13Å
43	S	43.3	Very low	38.6	Very low	54 Å²	54	92.5 Å²	92.5	38%	0.378	47%	0.467	S	S	.	.	H	α-helix	trans	-71.8	-43.8	174.7	53.1	0	0	0	0	111.3	K39 D40 I45 K46 D47	K39-S43 PolarHBondContact O-OG 3.49Å; D40-S43 PolarHBondContact O-OG 3.23Å; S43-I45 VanDerWaalsContact C-N 3.35Å; S43-I45 PolarHBondContact O-N 2.82Å; S43-K46 WeakPolarHBondContact O-CB 3.4Å; S43-K46 PolarHBondContact O-N 3.1Å; S43-D47 PolarHBondContact O-N 2.9Å
44	I	39.7	Very low	39.2	Very low	90 Å²	90	91.8 Å²	91.8	46%	0.462	46%	0.459	S	S	.	.	H	α-helix	trans	-66.1	-35.9	176	-63.5	172.3	0	0	0	111.6	D40 R48	D40-I44 WeakPolarHBondContact O-CB 3.46Å; D40-I44 WeakPolarHBondContact O-CD1 3.39Å; D40-I44 WeakPolarHBondContact O-CG1 3.26Å; D40-I44 PolarHBondContact O-N 3.14Å; I44-R48 WeakPolarHBondContact O-CB 3.22Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.41Å
45	I	43.3	Very low	39.5	Very low	79 Å²	79	94.2 Å²	94.2	41%	0.405	47%	0.468	S	S	.	.	H	α-helix	trans	-64.4	-43.3	173.3	-72.4	164.8	0	0	0	110.8	S41 S43 L49 M98	S41-I45 WeakPolarHBondContact O-CB 3.45Å; S41-I45 WeakPolarHBondContact O-CD1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.33Å; S41-I45 PolarHBondContact O-N 3.47Å; S41-I45 VanDerWaalsContact O-N 3.13Å; S43-I45 VanDerWaalsContact C-N 3.35Å; S43-I45 PolarHBondContact O-N 2.82Å; I45-L49 HydrophobicContact CG2-CD1 3.59Å; I45-L49 VanDerWaalsContact O-CB 3.24Å; I45-L49 WeakPolarHBondContact O-CB 3.39Å; I45-L49 WeakPolarHBondContact O-CD1 3.47Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.94Å; I45-M98 HydrophobicContact CG2-CE 4.05Å
46	K	44.9	Very low	39.6	Very low	68 Å²	68	90.9 Å²	90.9	30%	0.296	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177.5	-174.2	-179	-176.7	174.8	0	112.9	N42 S43 S50 T307	N42-K46 WeakPolarHBondContact O-CB 3.14Å; N42-K46 PolarHBondContact O-N 3.41Å; N42-K46 VanDerWaalsContact O-N 3.13Å; S43-K46 WeakPolarHBondContact O-CB 3.4Å; S43-K46 PolarHBondContact O-N 3.1Å; K46-S50 VanDerWaalsContact O-CB 3.28Å; K46-S50 WeakPolarHBondContact O-CB 3.28Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.88Å; K46-T307 PolarHBondContact NZ-O 3.06Å
47	D	44.3	Very low	40	Very low	54 Å²	54	87 Å²	87	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-73.4	-43.7	179.5	-73.1	-20.2	0	0	0	111.3	S43 L49 S50 E51	S43-D47 PolarHBondContact O-N 2.9Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.34Å; D47-S50 PolarHBondContact O-N 3.23Å; D47-S50 PolarHBondContact O-OG 3.38Å; D47-E51 WeakPolarHBondContact O-CB 3.38Å; D47-E51 PolarHBondContact O-N 3.4Å
48	R	39.6	Very low	40.5	Very low	180 Å²	180	86.4 Å²	86.4	68%	0.679	43%	0.432	S	S	*	.	H	α-helix	trans	-60.3	-44.2	171	-78.1	-175	178	178.5	1.1	111.4	I44 T52	I44-R48 WeakPolarHBondContact O-CB 3.22Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.41Å; R48-T52 WeakPolarHBondContact O-CB 3.43Å; R48-T52 PolarHBondContact O-N 2.94Å; R48-T52 PolarHBondContact O-OG1 2.83Å
49	L	40.1	Very low	41	Very low	70 Å²	70	88.9 Å²	88.9	37%	0.366	44%	0.437	S	S	.	.	H	α-helix	trans	-68	-41	179.1	-80.6	159.5	0	0	0	112.4	I45 D47 V53 M98	I45-L49 HydrophobicContact CG2-CD1 3.59Å; I45-L49 VanDerWaalsContact O-CB 3.24Å; I45-L49 WeakPolarHBondContact O-CB 3.39Å; I45-L49 WeakPolarHBondContact O-CD1 3.47Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.94Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.34Å; L49-V53 WeakPolarHBondContact O-CA 3.45Å; L49-V53 WeakPolarHBondContact O-CB 3.47Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.15Å; L49-M98 HydrophobicContact CD1-CE 3.54Å; L49-M98 HydrophobicContact CD1-SD 3.76Å
50	S	45.2	Very low	41.6	Very low	29 Å²	29	89.5 Å²	89.5	20%	0.203	44%	0.44	C	S	.	.	H	α-helix	trans	-70.7	-37	-179.7	63.6	0	0	0	0	113	K46 D47 R54	K46-S50 VanDerWaalsContact O-CB 3.28Å; K46-S50 WeakPolarHBondContact O-CB 3.28Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.88Å; D47-S50 PolarHBondContact O-N 3.23Å; D47-S50 PolarHBondContact O-OG 3.38Å; S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CD 3.29Å; S50-R54 WeakPolarHBondContact O-CG 3.46Å; S50-R54 PolarHBondContact O-N 2.99Å
51	E	42.4	Very low	42.7	Very low	89 Å²	89	89.8 Å²	89.8	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-72.8	-42.4	173.4	-72	-174	159.6	0	0	112.1	D47 R54 Q55	D47-E51 WeakPolarHBondContact O-CB 3.38Å; D47-E51 PolarHBondContact O-N 3.4Å; E51-R54 PolarHBondContact O-N 3.48Å; E51-Q55 WeakPolarHBondContact O-CB 3.28Å; E51-Q55 WeakPolarHBondContact O-CG 3.43Å; E51-Q55 PolarHBondContact O-N 3.09Å
52	T	35.5	Very low	43.1	Very low	69 Å²	69	87.5 Å²	87.5	42%	0.423	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-38.3	177.7	-49.5	0	0	0	0	110.8	R48 N56	R48-T52 WeakPolarHBondContact O-CB 3.43Å; R48-T52 PolarHBondContact O-N 2.94Å; R48-T52 PolarHBondContact O-OG1 2.83Å; T52-N56 VanDerWaalsContact CG2-ND2 3.31Å; T52-N56 WeakPolarHBondContact CG2-ND2 3.4Å; T52-N56 WeakPolarHBondContact O-CB 3.18Å; T52-N56 PolarHBondContact O-N 3.29Å; T52-N56 PolarHBondContact O-ND2 3.47Å
53	V	41.1	Very low	43.8	Very low	28 Å²	28	87.7 Å²	87.7	17%	0.17	43%	0.427	C	S	.	.	H	α-helix	trans	-71.7	-39.8	175	172.4	0	0	0	0	111	L49 Q55 N56 T57 E94	L49-V53 WeakPolarHBondContact O-CA 3.45Å; L49-V53 WeakPolarHBondContact O-CB 3.47Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.15Å; V53-Q55 PolarHBondContact O-N 3.47Å; V53-N56 PolarHBondContact O-N 2.91Å; V53-T57 HydrophobicContact CG1-CG2 3.79Å; V53-T57 VanDerWaalsContact O-CB 3.23Å; V53-T57 WeakPolarHBondContact O-CB 3.46Å; V53-T57 WeakPolarHBondContact O-CG2 3.5Å; V53-T57 PolarHBondContact O-N 3.02Å; V53-T57 PolarHBondContact O-OG1 3.04Å; V53-E94 HydrophobicContact CG2-CG 4.24Å
54	R	41.7	Very low	44.4	Very low	106 Å²	106	91 Å²	91	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-66.4	-34.7	175.1	-79.6	173.8	176.5	178.5	0.8	113.5	S50 E51 E91 G616	S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CD 3.29Å; S50-R54 WeakPolarHBondContact O-CG 3.46Å; S50-R54 PolarHBondContact O-N 2.99Å; E51-R54 PolarHBondContact O-N 3.48Å; R54-E91 IonicContact NE-OE1 2.83Å; R54-G616 VanDerWaalsContact CZ-O 3.28Å; R54-G616 PolarHBondContact NH1-O 3.21Å; R54-G616 PolarHBondContact NH2-O 3.2Å
55	Q	37.9	Very low	45.3	Very low	144 Å²	144	90.7 Å²	90.7	67%	0.673	44%	0.437	S	S	*	.	H	α-helix	trans	-78.6	-37.4	175	-69.9	-176.9	-1.6	0	0	111.8	E51 V53	E51-Q55 WeakPolarHBondContact O-CB 3.28Å; E51-Q55 WeakPolarHBondContact O-CG 3.43Å; E51-Q55 PolarHBondContact O-N 3.09Å; V53-Q55 PolarHBondContact O-N 3.47Å
56	N	39.3	Very low	46.1	Very low	69 Å²	69	94.1 Å²	94.1	37%	0.369	45%	0.449	S	S	.	.	H	α-helix	trans	-78.7	-30.7	-179.2	-69.5	-14.3	0	0	0	114	T52 V53 F60	T52-N56 VanDerWaalsContact CG2-ND2 3.31Å; T52-N56 WeakPolarHBondContact CG2-ND2 3.4Å; T52-N56 WeakPolarHBondContact O-CB 3.18Å; T52-N56 PolarHBondContact O-N 3.29Å; T52-N56 PolarHBondContact O-ND2 3.47Å; V53-N56 PolarHBondContact O-N 2.91Å; N56-F60 PolarHBondContact O-N 3.33Å
57	T	42.2	Very low	46.5	Very low	27 Å²	27	92 Å²	92	17%	0.166	44%	0.443	C	S	.	.	H	α-helix	trans	-75.3	-22.3	-179.2	49.4	0	0	0	0	113.6	V53 F59 V90	V53-T57 HydrophobicContact CG1-CG2 3.79Å; V53-T57 VanDerWaalsContact O-CB 3.23Å; V53-T57 WeakPolarHBondContact O-CB 3.46Å; V53-T57 WeakPolarHBondContact O-CG2 3.5Å; V53-T57 PolarHBondContact O-N 3.02Å; V53-T57 PolarHBondContact O-OG1 3.04Å; T57-F59 VanDerWaalsContact C-N 3.29Å; T57-F59 PolarHBondContact O-N 3.39Å; T57-V90 HydrophobicContact CG2-CG1 4.06Å
58	K	42.9	Very low	46.9	Very low	146 Å²	146	96.9 Å²	96.9	64%	0.635	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.3	177.2	-78.5	-176	174.7	-178.1	0	113.7
59	F	43.3	Very low	47.7	Very low	164 Å²	164	91.3 Å²	91.3	72%	0.719	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	0.6	-166.9	-65.9	-73.8	0	0	0	118.1	T57	T57-F59 VanDerWaalsContact C-N 3.29Å; T57-F59 PolarHBondContact O-N 3.39Å
60	F	51.5	Low	48.5	Very low	128 Å²	128	93.8 Å²	93.8	56%	0.561	48%	0.477	S	S	*	.			trans	-110.3	88.5	178.4	-84.5	-86.8	0	0	0	113.6	N56 F74	N56-F60 PolarHBondContact O-N 3.33Å; F60-F74 PolarHBondContact O-N 2.91Å
61	F	56.2	Low	49.3	Very low	112 Å²	112	95.1 Å²	95.1	49%	0.491	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.4	167.1	-67.1	-73.1	0	0	0	111.1	P63 P71	F61-P63 WeakPolarHBondContact O-CD 3.33Å; F61-P71 HydrophobicContact CB-CB 3.9Å; F61-P71 HydrophobicContact CD1-CB 3.75Å; F61-P71 HydrophobicContact CD1-CG 3.79Å; F61-P71 WeakPolarHBondContact CD1-O 3.38Å; F61-P71 HydrophobicContact CE1-CG 4.08Å; F61-P71 HydrophobicContact CG-CB 3.9Å; F61-P71 HydrophobicContact CG-CG 4.06Å
62	D	52.4	Low	50.4	Low	17 Å²	17	91.2 Å²	91.2	9%	0.091	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.6	172.4	-171.9	-40.1	0	0	0	108.6	V64 R65 V72	D62-V64 PolarHBondContact O-N 3.08Å; D62-V64 PolarHBondContact OD1-N 3.28Å; D62-R65 HydrophobicContact CB-CB 4.28Å; D62-R65 PolarHBondContact OD1-N 3.16Å; D62-R65 IonicContact OD2-CZ 3.21Å; D62-R65 IonicContact OD2-NE 2.93Å; D62-R65 PolarHBondContact OD2-NE 3.24Å; D62-R65 IonicContact OD2-NH2 2.89Å; D62-R65 PolarHBondContact OD2-NH2 2.9Å; D62-V72 PolarHBondContact N-O 3.34Å
63	P	52.4	Low	51.8	Low	119 Å²	119	88.6 Å²	88.6	77%	0.773	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	-16.6	-176.4	22.9	-30.5	0	0	0	113.8	F61	F61-P63 WeakPolarHBondContact O-CD 3.33Å
64	V	56.8	Low	52.9	Low	123 Å²	123	93.5 Å²	93.5	75%	0.745	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	-35.4	-174.1	-176.2	0	0	0	0	112.3	D62	D62-V64 PolarHBondContact O-N 3.08Å; D62-V64 PolarHBondContact OD1-N 3.28Å
65	R	57.6	Low	54.3	Low	83 Å²	83	90.7 Å²	90.7	31%	0.313	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.8	-173	-80.3	-177	-83.2	161.1	-2.3	113.2	D62 V72 K78	D62-R65 HydrophobicContact CB-CB 4.28Å; D62-R65 PolarHBondContact OD1-N 3.16Å; D62-R65 IonicContact OD2-CZ 3.21Å; D62-R65 IonicContact OD2-NE 2.93Å; D62-R65 PolarHBondContact OD2-NE 3.24Å; D62-R65 IonicContact OD2-NH2 2.89Å; D62-R65 PolarHBondContact OD2-NH2 2.9Å; R65-V72 WeakPolarHBondContact O-CB 3.43Å; R65-V72 WeakPolarHBondContact O-CG2 3.23Å; R65-V72 PolarHBondContact O-N 3.5Å; R65-K78 VanDerWaalsContact NH1-CG 3.25Å
66	K	61	Low	56.4	Low	152 Å²	152	84.1 Å²	84.1	66%	0.661	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.1	172.5	-61.8	-177.3	-178.2	-178.5	0	109.8	Q70	K66-Q70 VanDerWaalsContact CA-O 3.29Å; K66-Q70 WeakPolarHBondContact CA-O 3.31Å
67	C	53.7	Low	58.4	Low	23 Å²	23	81 Å²	81	16%	0.155	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	169	-73.9	0	0	0	0	107.7	G69 Q70 V72 V84	C67-G69 PolarHBondContact O-N 2.89Å; C67-Q70 PolarHBondContact N-O 3.33Å; C67-Q70 PolarHBondContact O-N 2.94Å; C67-V72 HydrophobicContact CB-CG2 3.95Å; C67-V84 HydrophobicContact CB-CG2 3.93Å
68	N	53	Low	60.1	Low	157 Å²	157	85.8 Å²	85.8	84%	0.84	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	35.8	-177.1	-59.3	-11	0	0	0	114.1	Q70	N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.91Å
69	G	54.8	Low	61.9	Low	63 Å²	63	80.6 Å²	80.6	65%	0.649	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-9.9	-179.4	0	0	0	0	0	115.7	C67	C67-G69 PolarHBondContact O-N 2.89Å
70	Q	58	Low	63.8	Low	121 Å²	121	73 Å²	73	57%	0.565	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	177.1	-70.3	-177.2	-11.5	0	0	111.8	K66 C67 N68 V84	K66-Q70 VanDerWaalsContact CA-O 3.29Å; K66-Q70 WeakPolarHBondContact CA-O 3.31Å; C67-Q70 PolarHBondContact N-O 3.33Å; C67-Q70 PolarHBondContact O-N 2.94Å; N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.91Å; Q70-V84 HydrophobicContact CB-CG2 3.88Å
71	P	61.5	Low	65.1	Low	57 Å²	57	70.2 Å²	70.2	37%	0.37	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.9	176.4	29.5	-33.6	0	0	0	110.5	F61	F61-P71 HydrophobicContact CB-CB 3.9Å; F61-P71 HydrophobicContact CD1-CB 3.75Å; F61-P71 HydrophobicContact CD1-CG 3.79Å; F61-P71 WeakPolarHBondContact CD1-O 3.38Å; F61-P71 HydrophobicContact CE1-CG 4.08Å; F61-P71 HydrophobicContact CG-CB 3.9Å; F61-P71 HydrophobicContact CG-CG 4.06Å
72	V	65.3	Low	66	Low	7 Å²	7	65.9 Å²	65.9	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.2	-176.6	179.1	0	0	0	0	109.7	D62 R65 C67 F74 Q76 V84	D62-V72 PolarHBondContact N-O 3.34Å; R65-V72 WeakPolarHBondContact O-CB 3.43Å; R65-V72 WeakPolarHBondContact O-CG2 3.23Å; R65-V72 PolarHBondContact O-N 3.5Å; C67-V72 HydrophobicContact CB-CG2 3.95Å; V72-F74 PolarHBondContact O-N 3.49Å; V72-Q76 HydrophobicContact CG1-CB 3.63Å; V72-Q76 VanDerWaalsContact CG1-CD 3.45Å; V72-Q76 HydrophobicContact CG1-CG 3.97Å; V72-V84 HydrophobicContact CG2-CG2 4.28Å
73	P	66.1	Low	67.4	Low	15 Å²	15	65.7 Å²	65.7	10%	0.097	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	135.9	171.6	-25.5	33.2	0	0	0	111.4	Q75 Q76 V84 V90	P73-Q75 PolarHBondContact O-N 2.87Å; P73-Q75 VanDerWaalsContact O-N 3.1Å; P73-Q76 VanDerWaalsContact O-CB 3.29Å; P73-Q76 WeakPolarHBondContact O-CB 3.46Å; P73-Q76 PolarHBondContact O-N 3.05Å; P73-V84 HydrophobicContact CG-CG1 4.38Å; P73-V90 HydrophobicContact CB-CG2 3.99Å; P73-V90 HydrophobicContact CG-CG2 3.96Å
74	F	64.2	Low	68.7	Low	131 Å²	131	62 Å²	62	58%	0.575	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.2	-178.2	178.8	-97.8	0	0	0	113.1	F60 V72 Q76	F60-F74 PolarHBondContact O-N 2.91Å; V72-F74 PolarHBondContact O-N 3.49Å; F74-Q76 VanDerWaalsContact C-N 3.26Å; F74-Q76 PolarHBondContact O-N 3.45Å
75	Q	70.3	Confident	69.9	Low	46 Å²	46	56.3 Å²	56.3	22%	0.215	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.7	-179.8	-60.6	80.7	5.2	0	0	113.3	P73 V90 M93	P73-Q75 PolarHBondContact O-N 2.87Å; P73-Q75 VanDerWaalsContact O-N 3.1Å; Q75-V90 HydrophobicContact CB-CG1 3.76Å; Q75-V90 HydrophobicContact CG-CG1 4.36Å; Q75-M93 HydrophobicContact CB-CE 4.17Å; Q75-M93 WeakPolarHBondContact O-CE 3.04Å
76	Q	81.1	Confident	71.1	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.033	31%	0.306	C	S	.	.	S	Bend	trans	-68.9	131.9	179	-173	173.7	-52.2	0	0	110.8	V72 P73 F74 F80 G83 M85	V72-Q76 HydrophobicContact CG1-CB 3.63Å; V72-Q76 VanDerWaalsContact CG1-CD 3.45Å; V72-Q76 HydrophobicContact CG1-CG 3.97Å; P73-Q76 VanDerWaalsContact O-CB 3.29Å; P73-Q76 WeakPolarHBondContact O-CB 3.46Å; P73-Q76 PolarHBondContact O-N 3.05Å; F74-Q76 VanDerWaalsContact C-N 3.26Å; F74-Q76 PolarHBondContact O-N 3.45Å; Q76-F80 HydrophobicContact CG-CB 4.17Å; Q76-F80 HydrophobicContact CG-CD1 4.14Å; Q76-F80 HydrophobicContact CG-CG 4.31Å; Q76-F80 PolarHBondContact NE2-O 2.85Å; Q76-G83 PolarHBondContact NE2-O 2.94Å; Q76-M85 HydrophobicContact CG-CG 4.24Å; Q76-M85 HydrophobicContact CG-SD 4.1Å
77	P	81.8	Confident	72	Confident	3 Å²	3	56 Å²	56	2%	0.019	30%	0.296	C	S	.	.			trans	-60.2	147.9	-178.3	-21.5	30.6	0	0	0	113.2	H79 F80 A122 A125 L126	P77-H79 VanDerWaalsContact C-N 3.29Å; P77-H79 PolarHBondContact O-N 2.84Å; P77-F80 HydrophobicContact CB-CB 4.38Å; P77-F80 WeakPolarHBondContact O-CB 3.42Å; P77-F80 PolarHBondContact O-N 3.44Å; P77-F80 VanDerWaalsContact O-N 3.11Å; P77-A122 HydrophobicContact CG-CB 4.34Å; P77-A122 VanDerWaalsContact CG-O 3.26Å; P77-A122 WeakPolarHBondContact CG-O 3.33Å; P77-A125 HydrophobicContact CB-CB 3.93Å; P77-A125 HydrophobicContact CG-CB 4.26Å; P77-L126 HydrophobicContact CG-CB 4.04Å
78	K	78.9	Confident	73.3	Confident	127 Å²	127	55 Å²	55	55%	0.552	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.1	-178	-48.5	-159	176.9	173.5	0	113.5	R65 F80	R65-K78 VanDerWaalsContact NH1-CG 3.25Å; K78-F80 PolarHBondContact O-N 3.19Å
79	H	80.5	Confident	74.9	Confident	37 Å²	37	48.3 Å²	48.3	17%	0.171	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.9	179.9	-57.5	-65.5	0	0	0	113.3	P77 T81 A125	P77-H79 VanDerWaalsContact C-N 3.29Å; P77-H79 PolarHBondContact O-N 2.84Å; H79-T81 PolarHBondContact O-N 3.16Å; H79-A125 HydrophobicContact CB-CB 4.38Å
80	F	83.4	Confident	76.3	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.022	22%	0.222	C	C	.	.			trans	-90.6	98.3	175	-167.2	-73.5	0	0	0	109.1	Q76 P77 K78 G83 M85 V118 A122 F155 T156	Q76-F80 HydrophobicContact CG-CB 4.17Å; Q76-F80 HydrophobicContact CG-CD1 4.14Å; Q76-F80 HydrophobicContact CG-CG 4.31Å; Q76-F80 PolarHBondContact NE2-O 2.85Å; P77-F80 HydrophobicContact CB-CB 4.38Å; P77-F80 WeakPolarHBondContact O-CB 3.42Å; P77-F80 PolarHBondContact O-N 3.44Å; P77-F80 VanDerWaalsContact O-N 3.11Å; K78-F80 PolarHBondContact O-N 3.19Å; F80-G83 WeakPolarHBondContact CE1-O 3.4Å; F80-M85 HydrophobicContact CE1-CG 4.1Å; F80-M85 HydrophobicContact CZ-CG 4.08Å; F80-V118 HydrophobicContact CE2-CG1 3.79Å; F80-V118 HydrophobicContact CZ-CG1 3.57Å; F80-A122 HydrophobicContact CD2-CB 4.03Å; F80-A122 HydrophobicContact CE2-CB 4.22Å; F80-F155 CarbonylContact C-O 3.59Å; F80-F155 WeakPolarHBondContact CA-O 3.4Å; F80-F155 HydrophobicContact CD1-CD1 4.42Å; F80-F155 HydrophobicContact CD2-CB 4.1Å; F80-F155 HydrophobicContact CE1-CB 4.38Å; F80-F155 AromaticContact CE1-CD1 3.49Å; F80-F155 HydrophobicContact CE1-CD1 3.49Å; F80-F155 VanDerWaalsContact CE1-CD1 3.49Å; F80-F155 HydrophobicContact CE1-CE1 4.08Å; F80-F155 HydrophobicContact CE1-CG 4.2Å; F80-F155 HydrophobicContact CE2-CB 3.64Å; F80-F155 AromaticContact CE2-CD1 3.96Å; F80-F155 HydrophobicContact CE2-CD1 3.96Å; F80-F155 AromaticContact CE2-CG 3.83Å; F80-F155 HydrophobicContact CE2-CG 3.83Å; F80-F155 HydrophobicContact CZ-CB 3.81Å; F80-F155 AromaticContact CZ-CD1 3.2Å; F80-F155 HydrophobicContact CZ-CD1 3.2Å; F80-F155 HydrophobicContact CZ-CD2 4.35Å; F80-F155 AromaticContact CZ-CE1 3.79Å; F80-F155 HydrophobicContact CZ-CE1 3.79Å; F80-F155 AromaticContact CZ-CG 3.54Å; F80-F155 HydrophobicContact CZ-CG 3.54Å; F80-T156 HydrophobicContact CD2-CG2 4.27Å
81	T	78.9	Confident	77.5	Confident	69 Å²	69	41.2 Å²	41.2	42%	0.423	20%	0.203	S	C	.	.			trans	-113.5	-16.4	-171.2	53.5	0	0	0	0	113.8	H79 G83 F155 P157	H79-T81 PolarHBondContact O-N 3.16Å; T81-G83 VanDerWaalsContact C-N 3.29Å; T81-G83 PolarHBondContact O-N 3.01Å; T81-F155 PolarHBondContact N-O 2.84Å; T81-P157 WeakPolarHBondContact OG1-CD 3.24Å
82	G	75.1	Confident	78.7	Confident	22 Å²	22	38.5 Å²	38.5	23%	0.227	19%	0.185	C	C	.	.	S	Bend	trans	-80.7	8.5	-174	0	0	0	0	0	117.1	R154 F155	G82-R154 VanDerWaalsContact CA-O 3.22Å; G82-R154 WeakPolarHBondContact CA-O 3.37Å; G82-F155 PolarHBondContact N-O 3.05Å; G82-F155 WeakPolarHBondContact O-CE1 2.97Å
83	G	80.3	Confident	79.8	Confident	12 Å²	12	38.1 Å²	38.1	12%	0.124	18%	0.183	C	C	.	.			trans	164.7	179.4	177.8	0	0	0	0	0	114.3	Q76 F80 T81	Q76-G83 PolarHBondContact NE2-O 2.94Å; F80-G83 WeakPolarHBondContact CE1-O 3.4Å; T81-G83 VanDerWaalsContact C-N 3.29Å; T81-G83 PolarHBondContact O-N 3.01Å
84	V	80.8	Confident	80.7	Confident	41 Å²	41	39.1 Å²	39.1	25%	0.248	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-102.2	127.3	175.4	-177.1	0	0	0	0	109.6	C67 Q70 V72 P73	C67-V84 HydrophobicContact CB-CG2 3.93Å; Q70-V84 HydrophobicContact CB-CG2 3.88Å; V72-V84 HydrophobicContact CG2-CG2 4.28Å; P73-V84 HydrophobicContact CG-CG1 4.38Å
85	M	81.8	Confident	81.8	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.025	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-71.6	137.3	174.7	-66.6	-176.1	74.3	0	0	110.8	Q76 F80 Q89 V90 M93 A122	Q76-M85 HydrophobicContact CG-CG 4.24Å; Q76-M85 HydrophobicContact CG-SD 4.1Å; F80-M85 HydrophobicContact CE1-CG 4.1Å; F80-M85 HydrophobicContact CZ-CG 4.08Å; M85-Q89 HydrophobicContact CB-CB 4.27Å; M85-Q89 HydrophobicContact CE-CB 3.76Å; M85-Q89 WeakPolarHBondContact CE-O 3.46Å; M85-V90 HydrophobicContact CB-CG2 3.75Å; M85-M93 HydrophobicContact CE-CB 4.04Å; M85-A122 HydrophobicContact CE-CB 3.69Å; M85-A122 HydrophobicContact SD-CB 3.57Å; M85-A122 VanDerWaalsContact SD-CB 3.57Å
86	R	82.6	Confident	82.7	Confident	108 Å²	108	32.5 Å²	32.5	41%	0.408	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-71.4	156.8	173.4	-60.6	-175.1	-178.4	-148.1	-2	110.4	Y88 Q89 V90 I573	R86-Y88 VanDerWaalsContact C-N 3.29Å; R86-Y88 HydrophobicContact CB-CD1 3.67Å; R86-Y88 HydrophobicContact CB-CE1 3.29Å; R86-Y88 VanDerWaalsContact CD-CE1 3.46Å; R86-Y88 HydrophobicContact CG-CE1 3.97Å; R86-Y88 PolarHBondContact O-N 2.84Å; R86-Y88 VanDerWaalsContact O-N 3.16Å; R86-Q89 HydrophobicContact CB-CG 4.2Å; R86-Q89 WeakPolarHBondContact O-CA 3.43Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.25Å; R86-V90 PolarHBondContact O-N 3.49Å; R86-I573 VanDerWaalsContact NH2-CG2 3.31Å
87	W	78.9	Confident	83	Confident	121 Å²	121	35.1 Å²	35.1	46%	0.458	17%	0.165	S	C	.	.	H	α-helix	trans	-50.6	-45	-175.3	66.8	-94.3	0	0	0	113.5	Q89 V90 E91 V318	W87-Q89 VanDerWaalsContact C-N 3.33Å; W87-Q89 PolarHBondContact O-N 3.43Å; W87-V90 WeakPolarHBondContact O-CB 3.46Å; W87-V90 PolarHBondContact O-N 2.96Å; W87-E91 PolarHBondContact O-N 3.37Å; W87-V318 HydrophobicContact CZ2-CB 4.45Å; W87-V318 HydrophobicContact CZ2-CG1 4.07Å
88	Y	81.9	Confident	83.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-30.8	178.7	69.1	-85	0	0	0	111.6	R86 V90 E91 G92 L114 R313 V318 L320 I573	R86-Y88 VanDerWaalsContact C-N 3.29Å; R86-Y88 HydrophobicContact CB-CD1 3.67Å; R86-Y88 HydrophobicContact CB-CE1 3.29Å; R86-Y88 VanDerWaalsContact CD-CE1 3.46Å; R86-Y88 HydrophobicContact CG-CE1 3.97Å; R86-Y88 PolarHBondContact O-N 2.84Å; R86-Y88 VanDerWaalsContact O-N 3.16Å; Y88-V90 VanDerWaalsContact C-N 3.3Å; Y88-E91 PolarHBondContact O-N 3.28Å; Y88-G92 PolarHBondContact O-N 2.98Å; Y88-L114 HydrophobicContact CE2-CB 3.94Å; Y88-L114 HydrophobicContact CE2-CD2 4.08Å; Y88-L114 WeakPolarHBondContact CE2-O 3.2Å; Y88-L114 PolarHBondContact OH-O 2.9Å; Y88-R313 VanDerWaalsContact O-CZ 3.32Å; Y88-R313 PolarHBondContact O-NH1 3.31Å; Y88-R313 PolarHBondContact O-NH2 3.22Å; Y88-V318 HydrophobicContact CD1-CB 4.43Å; Y88-V318 HydrophobicContact CD1-CG1 3.01Å; Y88-V318 HydrophobicContact CD2-CG1 4.02Å; Y88-V318 HydrophobicContact CD2-CG2 4.42Å; Y88-V318 HydrophobicContact CE1-CG1 3.26Å; Y88-V318 HydrophobicContact CE2-CG1 4.23Å; Y88-V318 HydrophobicContact CG-CG1 3.42Å; Y88-V318 VanDerWaalsContact CG-CG1 3.42Å; Y88-V318 HydrophobicContact CG-CG2 4.23Å; Y88-L320 HydrophobicContact CE1-CD2 3.83Å; Y88-I573 WeakPolarHBondContact OH-CD1 3.41Å
89	Q	85.9	Confident	83.5	Confident	18 Å²	18	32.2 Å²	32.2	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-68.4	-36.5	175.1	-60.6	176.2	-34.7	0	0	110.5	M85 R86 W87 G92 M93 L114 Q119	M85-Q89 HydrophobicContact CB-CB 4.27Å; M85-Q89 HydrophobicContact CE-CB 3.76Å; M85-Q89 WeakPolarHBondContact CE-O 3.46Å; R86-Q89 HydrophobicContact CB-CG 4.2Å; R86-Q89 WeakPolarHBondContact O-CA 3.43Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.25Å; W87-Q89 VanDerWaalsContact C-N 3.33Å; W87-Q89 PolarHBondContact O-N 3.43Å; Q89-G92 PolarHBondContact O-N 3.49Å; Q89-M93 WeakPolarHBondContact O-CB 3.42Å; Q89-M93 PolarHBondContact O-N 2.91Å; Q89-L114 PolarHBondContact NE2-O 3.33Å; Q89-Q119 HydrophobicContact CB-CG 4.01Å; Q89-Q119 HydrophobicContact CG-CG 4.3Å
90	V	84.9	Confident	83.9	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-46.9	173.2	179.2	0	0	0	0	110.7	T57 P73 Q75 M85 R86 W87 Y88 G92 M93 E94	T57-V90 HydrophobicContact CG2-CG1 4.06Å; P73-V90 HydrophobicContact CB-CG2 3.99Å; P73-V90 HydrophobicContact CG-CG2 3.96Å; Q75-V90 HydrophobicContact CB-CG1 3.76Å; Q75-V90 HydrophobicContact CG-CG1 4.36Å; M85-V90 HydrophobicContact CB-CG2 3.75Å; R86-V90 PolarHBondContact O-N 3.49Å; W87-V90 WeakPolarHBondContact O-CB 3.46Å; W87-V90 PolarHBondContact O-N 2.96Å; Y88-V90 VanDerWaalsContact C-N 3.3Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.83Å; V90-M93 PolarHBondContact O-N 2.82Å; V90-E94 PolarHBondContact O-N 3.29Å
91	E	82.9	Confident	84.1	Confident	32 Å²	32	37 Å²	37	15%	0.15	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-42.8	174.5	-175.8	-170.9	-154.4	0	0	111.7	R54 W87 Y88 E94 W95 R313	R54-E91 IonicContact NE-OE1 2.83Å; W87-E91 PolarHBondContact O-N 3.37Å; Y88-E91 PolarHBondContact O-N 3.28Å; E91-E94 PolarHBondContact O-N 2.73Å; E91-W95 WeakPolarHBondContact O-CB 3.25Å; E91-W95 PolarHBondContact O-N 3.46Å; E91-R313 IonicContact OE2-NH1 2.81Å; E91-R313 PolarHBondContact OE2-NH1 3.13Å
92	G	86.8	Confident	84.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-39.5	177.6	0	0	0	0	0	113	Y88 Q89 V90 W95 L96	Y88-G92 PolarHBondContact O-N 2.98Å; Q89-G92 PolarHBondContact O-N 3.49Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.83Å; G92-W95 PolarHBondContact O-N 2.63Å; G92-L96 WeakPolarHBondContact O-CG 3.49Å; G92-L96 PolarHBondContact O-N 3.44Å
93	M	88.5	Confident	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-43	175.4	-178.7	-76.8	-62.8	0	0	111.7	Q75 M85 Q89 V90 W95 L96 R97 A122 L126	Q75-M93 HydrophobicContact CB-CE 4.17Å; Q75-M93 WeakPolarHBondContact O-CE 3.04Å; M85-M93 HydrophobicContact CE-CB 4.04Å; Q89-M93 WeakPolarHBondContact O-CB 3.42Å; Q89-M93 PolarHBondContact O-N 2.91Å; V90-M93 PolarHBondContact O-N 2.82Å; M93-W95 VanDerWaalsContact C-N 3.33Å; M93-W95 PolarHBondContact O-N 3.19Å; M93-L96 PolarHBondContact O-N 3.49Å; M93-R97 WeakPolarHBondContact O-CB 3.13Å; M93-R97 PolarHBondContact O-N 3.3Å; M93-A122 HydrophobicContact CG-CB 3.96Å; M93-L126 HydrophobicContact SD-CD2 3.82Å
94	E	84.9	Confident	85.2	Confident	35 Å²	35	42 Å²	42	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-37.9	177.4	-170.3	64	-160.1	0	0	111.3	V53 V90 E91 R97 M98	V53-E94 HydrophobicContact CG2-CG 4.24Å; V90-E94 PolarHBondContact O-N 3.29Å; E91-E94 PolarHBondContact O-N 2.73Å; E94-R97 WeakPolarHBondContact O-CB 3.41Å; E94-R97 PolarHBondContact O-N 2.92Å; E94-R97 IonicContact OE1-CZ 2.92Å; E94-R97 IonicContact OE1-NE 3.72Å; E94-R97 IonicContact OE1-NH1 2.94Å; E94-R97 PolarHBondContact OE1-NH1 2.96Å; E94-R97 WeakPolarHBondContact OE2-CD 3.43Å; E94-R97 IonicContact OE2-CZ 3.24Å; E94-R97 IonicContact OE2-NH1 3.05Å; E94-R97 PolarHBondContact OE2-NH1 3.36Å; E94-M98 PolarHBondContact O-N 3.33Å
95	W	88.3	Confident	85.6	Confident	38 Å²	38	40.9 Å²	40.9	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-45.8	171.4	178.7	78.8	0	0	0	112	E91 G92 M93 R97 M98 L99 I107 L108 F309 L311	E91-W95 WeakPolarHBondContact O-CB 3.25Å; E91-W95 PolarHBondContact O-N 3.46Å; G92-W95 PolarHBondContact O-N 2.63Å; M93-W95 VanDerWaalsContact C-N 3.33Å; M93-W95 PolarHBondContact O-N 3.19Å; W95-R97 VanDerWaalsContact C-N 3.31Å; W95-R97 PolarHBondContact O-N 3.36Å; W95-M98 PolarHBondContact O-N 3.19Å; W95-L99 HydrophobicContact CD2-CD1 4.06Å; W95-L99 HydrophobicContact CE3-CD1 3.93Å; W95-L99 HydrophobicContact CH2-CD1 3.41Å; W95-L99 VanDerWaalsContact CH2-CD1 3.41Å; W95-L99 HydrophobicContact CZ2-CD1 3.53Å; W95-L99 HydrophobicContact CZ2-CG 4.31Å; W95-L99 HydrophobicContact CZ3-CD1 3.61Å; W95-L99 PolarHBondContact O-N 2.98Å; W95-L99 VanDerWaalsContact O-N 3.08Å; W95-I107 WeakPolarHBondContact CH2-O 3.29Å; W95-L108 HydrophobicContact CZ3-CD1 4.47Å; W95-F309 WeakPolarHBondContact CH2-O 3.45Å; W95-L311 HydrophobicContact CB-CD2 4.18Å; W95-L311 HydrophobicContact CD2-CB 3.82Å; W95-L311 HydrophobicContact CD2-CD2 3.95Å; W95-L311 HydrophobicContact CD2-CG 4.42Å; W95-L311 HydrophobicContact CE3-CB 3.72Å; W95-L311 HydrophobicContact CE3-CD2 3.8Å; W95-L311 HydrophobicContact CE3-CG 4.4Å; W95-L311 HydrophobicContact CG-CD2 4.12Å; W95-L311 HydrophobicContact CH2-CB 3.77Å; W95-L311 HydrophobicContact CZ2-CB 3.87Å; W95-L311 HydrophobicContact CZ3-CB 3.7Å; W95-L311 HydrophobicContact CZ3-CD2 4.49Å
96	L	89.1	Confident	85.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-37	175.4	-72	173.6	0	0	0	112.6	G92 M93 L99 W100 Q119 T123 L241	G92-L96 WeakPolarHBondContact O-CG 3.49Å; G92-L96 PolarHBondContact O-N 3.44Å; M93-L96 PolarHBondContact O-N 3.49Å; L96-L99 PolarHBondContact O-N 2.9Å; L96-W100 PolarHBondContact O-N 2.89Å; L96-W100 VanDerWaalsContact O-N 3.08Å; L96-Q119 HydrophobicContact CD1-CB 4.48Å; L96-T123 HydrophobicContact CB-CG2 4.01Å; L96-T123 WeakPolarHBondContact CD1-OG1 3.34Å; L96-L241 HydrophobicContact CD1-CD2 4.29Å; L96-L241 HydrophobicContact CD2-CD1 3.49Å; L96-L241 VanDerWaalsContact CD2-CD1 3.49Å; L96-L241 HydrophobicContact CD2-CD2 3.85Å; L96-L241 HydrophobicContact CD2-CG 4.33Å
97	R	86.6	Confident	86.1	Confident	62 Å²	62	35.7 Å²	35.7	23%	0.234	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-45.7	174.4	174.2	-160.5	166.7	-173.8	-15.5	111.1	M93 E94 W95 L99 W100 E101 L126	M93-R97 WeakPolarHBondContact O-CB 3.13Å; M93-R97 PolarHBondContact O-N 3.3Å; E94-R97 WeakPolarHBondContact O-CB 3.41Å; E94-R97 PolarHBondContact O-N 2.92Å; E94-R97 IonicContact OE1-CZ 2.92Å; E94-R97 IonicContact OE1-NE 3.72Å; E94-R97 IonicContact OE1-NH1 2.94Å; E94-R97 PolarHBondContact OE1-NH1 2.96Å; E94-R97 WeakPolarHBondContact OE2-CD 3.43Å; E94-R97 IonicContact OE2-CZ 3.24Å; E94-R97 IonicContact OE2-NH1 3.05Å; E94-R97 PolarHBondContact OE2-NH1 3.36Å; W95-R97 VanDerWaalsContact C-N 3.31Å; W95-R97 PolarHBondContact O-N 3.36Å; R97-L99 VanDerWaalsContact C-N 3.31Å; R97-L99 PolarHBondContact O-N 3.47Å; R97-W100 PolarHBondContact O-N 3.3Å; R97-E101 HydrophobicContact CG-CG 4.43Å; R97-E101 IonicContact CZ-OE1 3.91Å; R97-E101 IonicContact NE-OE1 2.84Å; R97-E101 PolarHBondContact NE-OE1 3.29Å; R97-E101 IonicContact NH2-OE1 3.37Å; R97-E101 PolarHBondContact NH2-OE1 3.25Å; R97-E101 WeakPolarHBondContact O-CG 3.38Å; R97-E101 PolarHBondContact O-N 2.94Å; R97-L126 HydrophobicContact CB-CD2 3.84Å; R97-L126 HydrophobicContact CG-CD2 3.59Å
98	M	85.3	Confident	86.6	Confident	56 Å²	56	30 Å²	30	28%	0.276	15%	0.153	S	C	.	.	H	α-helix	trans	-60.9	-40.7	178	-176.6	-174.1	177.5	0	0	111.6	I45 L49 E94 W95 N102	I45-M98 HydrophobicContact CG2-CE 4.05Å; L49-M98 HydrophobicContact CD1-CE 3.54Å; L49-M98 HydrophobicContact CD1-SD 3.76Å; E94-M98 PolarHBondContact O-N 3.33Å; W95-M98 PolarHBondContact O-N 3.19Å; M98-N102 PolarHBondContact O-N 3.47Å; M98-N102 PolarHBondContact O-ND2 3.48Å
99	L	87.1	Confident	86.8	Confident	13 Å²	13	30 Å²	30	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-46.4	174.6	-71.4	178.2	0	0	0	111.8	W95 L96 R97 N102 G103 I104	W95-L99 HydrophobicContact CD2-CD1 4.06Å; W95-L99 HydrophobicContact CE3-CD1 3.93Å; W95-L99 HydrophobicContact CH2-CD1 3.41Å; W95-L99 VanDerWaalsContact CH2-CD1 3.41Å; W95-L99 HydrophobicContact CZ2-CD1 3.53Å; W95-L99 HydrophobicContact CZ2-CG 4.31Å; W95-L99 HydrophobicContact CZ3-CD1 3.61Å; W95-L99 PolarHBondContact O-N 2.98Å; W95-L99 VanDerWaalsContact O-N 3.08Å; L96-L99 PolarHBondContact O-N 2.9Å; R97-L99 VanDerWaalsContact C-N 3.31Å; R97-L99 PolarHBondContact O-N 3.47Å; L99-N102 PolarHBondContact O-N 3.18Å; L99-G103 PolarHBondContact O-N 3.01Å; L99-G103 VanDerWaalsContact O-N 3.12Å; L99-I104 HydrophobicContact CD2-CB 4.12Å; L99-I104 HydrophobicContact CD2-CG2 3.84Å; L99-I104 PolarHBondContact O-N 2.67Å
100	W	88.6	Confident	86.7	Confident	50 Å²	50	29.2 Å²	29.2	19%	0.189	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-43.2	178.8	168.3	61.8	0	0	0	113	L96 R97 N102 G103 M127 R130 V132	L96-W100 PolarHBondContact O-N 2.89Å; L96-W100 VanDerWaalsContact O-N 3.08Å; R97-W100 PolarHBondContact O-N 3.3Å; W100-N102 PolarHBondContact O-N 3.32Å; W100-G103 PolarHBondContact O-N 2.92Å; W100-G103 VanDerWaalsContact O-N 3.08Å; W100-M127 HydrophobicContact CB-CE 3.71Å; W100-M127 HydrophobicContact CD2-CE 3.77Å; W100-M127 HydrophobicContact CD2-CG 3.98Å; W100-M127 HydrophobicContact CD2-SD 4.38Å; W100-M127 HydrophobicContact CE3-CE 4.47Å; W100-M127 HydrophobicContact CE3-CG 4.16Å; W100-M127 HydrophobicContact CG-CE 3.35Å; W100-M127 HydrophobicContact CG-SD 4.4Å; W100-M127 HydrophobicContact CH2-CG 4.29Å; W100-M127 HydrophobicContact CZ2-CG 4.14Å; W100-M127 HydrophobicContact CZ3-CG 4.29Å; W100-R130 HydrophobicContact CH2-CB 4.27Å; W100-V132 HydrophobicContact CH2-CG2 4.33Å; W100-V132 HydrophobicContact CZ2-CG2 3.78Å
101	E	86.8	Confident	86.4	Confident	93 Å²	93	31 Å²	31	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-32.5	177.2	-74.6	178.1	177.3	0	0	112.1	R97 R130	R97-E101 HydrophobicContact CG-CG 4.43Å; R97-E101 IonicContact CZ-OE1 3.91Å; R97-E101 IonicContact NE-OE1 2.84Å; R97-E101 PolarHBondContact NE-OE1 3.29Å; R97-E101 IonicContact NH2-OE1 3.37Å; R97-E101 PolarHBondContact NH2-OE1 3.25Å; R97-E101 WeakPolarHBondContact O-CG 3.38Å; R97-E101 PolarHBondContact O-N 2.94Å; E101-R130 IonicContact OE1-CZ 3.5Å; E101-R130 IonicContact OE1-NH1 3.14Å; E101-R130 PolarHBondContact OE1-NH1 3.28Å; E101-R130 IonicContact OE1-NH2 3.25Å; E101-R130 PolarHBondContact OE1-NH2 3.24Å
102	N	86	Confident	86.1	Confident	97 Å²	97	30.2 Å²	30.2	52%	0.519	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.8	177.4	-68.4	-54.3	0	0	0	113.9	M98 L99 W100 I104	M98-N102 PolarHBondContact O-N 3.47Å; M98-N102 PolarHBondContact O-ND2 3.48Å; L99-N102 PolarHBondContact O-N 3.18Å; W100-N102 PolarHBondContact O-N 3.32Å; N102-I104 VanDerWaalsContact C-N 3.28Å; N102-I104 HydrophobicContact CB-CD1 3.8Å; N102-I104 HydrophobicContact CB-CG1 3.93Å; N102-I104 PolarHBondContact O-N 3.29Å
103	G	84.8	Confident	85.4	Confident	49 Å²	49	30.6 Å²	30.6	51%	0.505	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	28	-176.2	0	0	0	0	0	113.8	L99 W100 N239	L99-G103 PolarHBondContact O-N 3.01Å; L99-G103 VanDerWaalsContact O-N 3.12Å; W100-G103 PolarHBondContact O-N 2.92Å; W100-G103 VanDerWaalsContact O-N 3.08Å; G103-N239 WeakPolarHBondContact CA-OD1 3.15Å
104	I	86.4	Confident	85	Confident	61 Å²	61	30.6 Å²	30.6	31%	0.313	16%	0.159	S	C	.	.			trans	-103.5	139.8	-176.5	-62.5	175.4	0	0	0	110.2	L99 N102 F309	L99-I104 HydrophobicContact CD2-CB 4.12Å; L99-I104 HydrophobicContact CD2-CG2 3.84Å; L99-I104 PolarHBondContact O-N 2.67Å; N102-I104 VanDerWaalsContact C-N 3.28Å; N102-I104 HydrophobicContact CB-CD1 3.8Å; N102-I104 HydrophobicContact CB-CG1 3.93Å; N102-I104 PolarHBondContact O-N 3.29Å; I104-F309 HydrophobicContact CG2-CD1 3.42Å; I104-F309 VanDerWaalsContact CG2-CD1 3.42Å; I104-F309 HydrophobicContact CG2-CE1 3.32Å
105	N	89.9	Confident	85	Confident	18 Å²	18	29.3 Å²	29.3	10%	0.096	16%	0.155	C	C	.	.			trans	-82.3	149.7	175.5	-61.5	-35.4	0	0	0	111.9	N239 K240 L262	N105-N239 VanDerWaalsContact OD1-CA 3.3Å; N105-N239 WeakPolarHBondContact OD1-CA 3.36Å; N105-K240 WeakPolarHBondContact CA-O 3.48Å; N105-K240 HydrophobicContact CB-CB 4.39Å; N105-K240 WeakPolarHBondContact CB-O 3.05Å; N105-K240 PolarHBondContact OD1-N 2.87Å; N105-L262 HydrophobicContact CB-CB 4.06Å; N105-L262 HydrophobicContact CB-CD2 3.91Å; N105-L262 PolarHBondContact ND2-O 2.92Å
106	G	87.5	Confident	85	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.7	-171.4	0	0	0	0	0	115.7	K240 L241 L242	G106-K240 PolarHBondContact N-O 3.09Å; G106-K240 VanDerWaalsContact N-O 3.14Å; G106-L241 WeakPolarHBondContact O-CA 3.41Å; G106-L242 PolarHBondContact O-N 3.06Å
107	I	87.8	Confident	85.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.7	171.3	-52.5	178.5	0	0	0	109.2	W95 A109 L242 T244 L262 F309 L310 L311	W95-I107 WeakPolarHBondContact CH2-O 3.29Å; I107-A109 HydrophobicContact CG2-CB 4.17Å; I107-A109 PolarHBondContact O-N 3.21Å; I107-L242 CarbonylContact C-O 3.58Å; I107-L242 WeakPolarHBondContact CA-O 3.47Å; I107-L242 HydrophobicContact CG1-CB 4.37Å; I107-L242 HydrophobicContact CG1-CD1 4.48Å; I107-L242 HydrophobicContact CG2-CB 4.48Å; I107-T244 HydrophobicContact CG2-CG2 4.02Å; I107-L262 HydrophobicContact CD1-CD1 3.61Å; I107-L262 HydrophobicContact CG1-CD1 3.37Å; I107-F309 PolarHBondContact N-O 3.29Å; I107-L310 HydrophobicContact CB-CD1 4.42Å; I107-L310 HydrophobicContact CB-CG 4.49Å; I107-L310 HydrophobicContact CG2-CD1 4.23Å; I107-L310 WeakPolarHBondContact O-CA 3.43Å; I107-L311 PolarHBondContact O-N 2.86Å
108	L	88.9	Confident	85.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101	168.4	-172	68.9	0	0	0	109	W95 K116 Q119 L241 L242 L243 T244 L311	W95-L108 HydrophobicContact CZ3-CD1 4.47Å; L108-K116 HydrophobicContact CD2-CB 3.82Å; L108-K116 HydrophobicContact CD2-CD 4.25Å; L108-K116 HydrophobicContact CD2-CG 3.71Å; L108-K116 HydrophobicContact CG-CD 4.24Å; L108-K116 HydrophobicContact CG-CG 4.11Å; L108-Q119 HydrophobicContact CD2-CB 4.43Å; L108-L241 HydrophobicContact CB-CD1 4.39Å; L108-L242 PolarHBondContact N-O 3.49Å; L108-L243 HydrophobicContact CB-CD2 3.77Å; L108-L243 HydrophobicContact CD2-CD2 4.01Å; L108-L243 HydrophobicContact CG-CD2 4.47Å; L108-T244 PolarHBondContact O-N 3.41Å; L108-L311 HydrophobicContact CD1-CB 4.22Å; L108-L311 HydrophobicContact CD1-CD2 3.9Å; L108-L311 HydrophobicContact CD1-CG 4.31Å
109	A	85.4	Confident	85.5	Confident	2 Å²	2	24.1 Å²	24.1	2%	0.017	14%	0.136	C	C	.	.			trans	-107.3	18.5	-174.1	0	0	0	0	0	113.8	I107 T244 L310 L311 R312	I107-A109 HydrophobicContact CG2-CB 4.17Å; I107-A109 PolarHBondContact O-N 3.21Å; A109-T244 CarbonylContact C-O 3.51Å; A109-T244 VanDerWaalsContact CA-O 3.31Å; A109-T244 WeakPolarHBondContact CA-O 3.37Å; A109-T244 HydrophobicContact CB-CG2 3.58Å; A109-L310 HydrophobicContact CB-CD1 4.11Å; A109-L310 HydrophobicContact CB-CD2 4.33Å; A109-L310 HydrophobicContact CB-CG 4.07Å; A109-L311 CarbonylContact C-O 3.59Å; A109-L311 WeakPolarHBondContact CA-O 3.43Å; A109-L311 PolarHBondContact N-O 2.77Å; A109-R312 HydrophobicContact CB-CB 4.11Å; A109-R312 WeakPolarHBondContact O-CG 3.49Å; A109-R312 PolarHBondContact O-NH1 2.93Å
110	D	84.8	Confident	85.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-48.7	143.3	171.7	-86	-8.4	0	0	0	112	L114 K116 Q119 L311 R313	D110-L114 HydrophobicContact CB-CB 4.25Å; D110-L114 HydrophobicContact CB-CD1 3.93Å; D110-K116 HydrophobicContact CB-CD 4.22Å; D110-K116 HydrophobicContact CB-CG 4Å; D110-K116 PolarHBondContact O-NZ 3.47Å; D110-Q119 PolarHBondContact OD2-NE2 3.49Å; D110-Q119 VanDerWaalsContact OD2-NE2 3.1Å; D110-L311 PolarHBondContact N-O 2.94Å; D110-R313 WeakPolarHBondContact OD1-CB 3.17Å; D110-R313 IonicContact OD1-CZ 3.66Å; D110-R313 PolarHBondContact OD1-N 3.48Å; D110-R313 IonicContact OD1-NE 3.98Å; D110-R313 PolarHBondContact OD1-NE 3.48Å; D110-R313 IonicContact OD1-NH2 2.69Å; D110-R313 IonicContact OD2-CZ 3.96Å; D110-R313 IonicContact OD2-NE 3.5Å; D110-R313 PolarHBondContact OD2-NE 2.88Å; D110-R313 IonicContact OD2-NH2 3.18Å; D110-R313 PolarHBondContact OD2-NH2 3.19Å
111	E	77.3	Confident	86	Confident	41 Å²	41	21.1 Å²	21.1	19%	0.192	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-53.8	151.1	175.5	-164.8	-177.7	152.4	0	0	111.6	G113 L114 K116 R313 L314 K315	E111-G113 PolarHBondContact O-N 2.97Å; E111-L114 HydrophobicContact CB-CD1 4.18Å; E111-L114 HydrophobicContact CB-CG 4.44Å; E111-L114 PolarHBondContact O-N 3.45Å; E111-K116 PolarHBondContact O-NZ 3.06Å; E111-R313 WeakPolarHBondContact CB-O 3.47Å; E111-R313 PolarHBondContact N-O 3.22Å; E111-L314 VanDerWaalsContact OE2-CA 3.3Å; E111-L314 WeakPolarHBondContact OE2-CA 3.46Å; E111-K315 HydrophobicContact CG-CG 4.4Å; E111-K315 WeakPolarHBondContact OE1-CD 3.06Å; E111-K315 WeakPolarHBondContact OE1-CE 3.43Å; E111-K315 IonicContact OE1-NZ 3.42Å; E111-K315 PolarHBondContact OE2-N 3.5Å
112	M	77.2	Confident	86.1	Confident	14 Å²	14	16.7 Å²	16.7	7%	0.069	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135.6	175.2	-62.7	178.3	69.9	0	0	110.3	K315 Q565 D568	M112-K315 WeakPolarHBondContact O-CE 3.4Å; M112-Q565 HydrophobicContact CE-CB 3.98Å; M112-Q565 HydrophobicContact CE-CG 3.7Å; M112-Q565 HydrophobicContact SD-CB 4.24Å; M112-Q565 HydrophobicContact SD-CG 3.52Å; M112-Q565 VanDerWaalsContact SD-CG 3.52Å; M112-D568 HydrophobicContact CB-CB 4.23Å; M112-D568 HydrophobicContact CE-CB 4.48Å
113	G	73.1	Confident	86.4	Confident	9 Å²	9	12.1 Å²	12.1	9%	0.093	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	-19.4	-179	0	0	0	0	0	116	E111 G115 I573	E111-G113 PolarHBondContact O-N 2.97Å; G113-G115 PolarHBondContact O-N 3.35Å; G113-G115 VanDerWaalsContact O-N 3.13Å; G113-I573 VanDerWaalsContact O-CD1 3.27Å; G113-I573 WeakPolarHBondContact O-CD1 3.49Å
114	L	80.2	Confident	86.7	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-71.2	-5	-179.7	-65.6	-174.6	0	0	0	114.6	Y88 Q89 D110 E111 R313 K315 V318 L320	Y88-L114 HydrophobicContact CE2-CB 3.94Å; Y88-L114 HydrophobicContact CE2-CD2 4.08Å; Y88-L114 WeakPolarHBondContact CE2-O 3.2Å; Y88-L114 PolarHBondContact OH-O 2.9Å; Q89-L114 PolarHBondContact NE2-O 3.33Å; D110-L114 HydrophobicContact CB-CB 4.25Å; D110-L114 HydrophobicContact CB-CD1 3.93Å; E111-L114 HydrophobicContact CB-CD1 4.18Å; E111-L114 HydrophobicContact CB-CG 4.44Å; E111-L114 PolarHBondContact O-N 3.45Å; L114-R313 HydrophobicContact CD1-CB 3.99Å; L114-R313 VanDerWaalsContact CD1-O 3.28Å; L114-R313 WeakPolarHBondContact CD1-O 3.38Å; L114-K315 HydrophobicContact CD2-CG 4.28Å; L114-V318 HydrophobicContact CD1-CG2 4.42Å; L114-V318 HydrophobicContact CD2-CB 4.43Å; L114-V318 HydrophobicContact CD2-CG2 4.21Å; L114-L320 HydrophobicContact CD2-CD1 3.3Å
115	G	84.1	Confident	86.8	Confident	8 Å²	8	6.9 Å²	6.9	8%	0.082	4%	0.04	C	C	.	.			trans	83.2	43.1	175.8	0	0	0	0	0	113.9	G113 T117 V118 Q119	G113-G115 PolarHBondContact O-N 3.35Å; G113-G115 VanDerWaalsContact O-N 3.13Å; G115-T117 PolarHBondContact O-N 3.43Å; G115-V118 WeakPolarHBondContact O-CB 3.31Å; G115-V118 PolarHBondContact O-N 2.93Å; G115-Q119 PolarHBondContact O-N 2.84Å; G115-Q119 VanDerWaalsContact O-N 3.13Å
116	K	89.4	Confident	86.8	Confident	19 Å²	19	6.8 Å²	6.8	8%	0.083	4%	0.039	C	C	.	.	H	α-helix	trans	-50.5	-43.1	173.5	-68.4	-172	-77.7	-78.6	0	113	L108 D110 E111 V118 Q119 C120	L108-K116 HydrophobicContact CD2-CB 3.82Å; L108-K116 HydrophobicContact CD2-CD 4.25Å; L108-K116 HydrophobicContact CD2-CG 3.71Å; L108-K116 HydrophobicContact CG-CD 4.24Å; L108-K116 HydrophobicContact CG-CG 4.11Å; D110-K116 HydrophobicContact CB-CD 4.22Å; D110-K116 HydrophobicContact CB-CG 4Å; D110-K116 PolarHBondContact O-NZ 3.47Å; E111-K116 PolarHBondContact O-NZ 3.06Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-V118 PolarHBondContact O-N 3.28Å; K116-Q119 PolarHBondContact O-N 2.95Å; K116-C120 PolarHBondContact O-N 3.4Å; K116-C120 PolarHBondContact O-SG 3.32Å
117	T	90.4	Very high	86.8	Confident	14 Å²	14	6.8 Å²	6.8	9%	0.086	4%	0.039	C	C	.	.	H	α-helix	trans	-55.8	-46.1	175.7	-52.3	0	0	0	0	111.9	G115 C120 I121 W148 E151	G115-T117 PolarHBondContact O-N 3.43Å; T117-C120 WeakPolarHBondContact O-CB 3.45Å; T117-C120 PolarHBondContact O-N 3.1Å; T117-I121 HydrophobicContact CG2-CD1 3.89Å; T117-I121 VanDerWaalsContact O-CG1 3.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.41Å; T117-W148 HydrophobicContact CG2-CD2 3.72Å; T117-W148 HydrophobicContact CG2-CE3 3.61Å; T117-W148 HydrophobicContact CG2-CG 4.39Å; T117-W148 HydrophobicContact CG2-CH2 4.04Å; T117-W148 HydrophobicContact CG2-CZ2 4.11Å; T117-W148 HydrophobicContact CG2-CZ3 3.79Å; T117-E151 HydrophobicContact CG2-CB 4.15Å; T117-E151 HydrophobicContact CG2-CG 4.19Å
118	V	89.3	Confident	86.8	Confident	14 Å²	14	7.3 Å²	7.3	9%	0.085	4%	0.042	C	C	.	.	H	α-helix	trans	-64.7	-43.5	179.9	-179.8	0	0	0	0	111.2	F80 G115 K116 C120 I121 A122 F155	F80-V118 HydrophobicContact CE2-CG1 3.79Å; F80-V118 HydrophobicContact CZ-CG1 3.57Å; G115-V118 WeakPolarHBondContact O-CB 3.31Å; G115-V118 PolarHBondContact O-N 2.93Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-V118 PolarHBondContact O-N 3.28Å; V118-C120 VanDerWaalsContact C-N 3.31Å; V118-C120 PolarHBondContact O-N 2.89Å; V118-I121 PolarHBondContact O-N 3.25Å; V118-A122 WeakPolarHBondContact O-CB 3.41Å; V118-A122 PolarHBondContact O-N 3.09Å; V118-F155 HydrophobicContact CG1-CE2 4.42Å; V118-F155 HydrophobicContact CG2-CD2 4.19Å; V118-F155 HydrophobicContact CG2-CE2 3.55Å; V118-F155 HydrophobicContact CG2-CZ 4.09Å
119	Q	90.9	Very high	86.7	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.8	-44.1	175.8	-63.6	177.1	38.4	0	0	111.1	Q89 L96 L108 D110 G115 K116 A122 T123	Q89-Q119 HydrophobicContact CB-CG 4.01Å; Q89-Q119 HydrophobicContact CG-CG 4.3Å; L96-Q119 HydrophobicContact CD1-CB 4.48Å; L108-Q119 HydrophobicContact CD2-CB 4.43Å; D110-Q119 PolarHBondContact OD2-NE2 3.49Å; D110-Q119 VanDerWaalsContact OD2-NE2 3.1Å; G115-Q119 PolarHBondContact O-N 2.84Å; G115-Q119 VanDerWaalsContact O-N 3.13Å; K116-Q119 PolarHBondContact O-N 2.95Å; Q119-A122 PolarHBondContact O-N 3.13Å; Q119-T123 PolarHBondContact O-N 2.84Å; Q119-T123 PolarHBondContact O-OG1 3.21Å
120	C	92.5	Very high	86.7	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.3	-44.4	178.4	-64.4	0	0	0	0	113.3	K116 T117 V118 A122 T123 I124 W148 I214 L243	K116-C120 PolarHBondContact O-N 3.4Å; K116-C120 PolarHBondContact O-SG 3.32Å; T117-C120 WeakPolarHBondContact O-CB 3.45Å; T117-C120 PolarHBondContact O-N 3.1Å; V118-C120 VanDerWaalsContact C-N 3.31Å; V118-C120 PolarHBondContact O-N 2.89Å; C120-A122 VanDerWaalsContact C-N 3.29Å; C120-A122 PolarHBondContact O-N 3.41Å; C120-T123 PolarHBondContact O-N 2.7Å; C120-I124 PolarHBondContact O-N 2.61Å; C120-W148 HydrophobicContact CB-CH2 3.72Å; C120-W148 HydrophobicContact CB-CZ3 4.07Å; C120-I214 HydrophobicContact CB-CD1 3.94Å; C120-L243 WeakPolarHBondContact SG-CD2 3.47Å
121	I	92.6	Very high	86.7	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-43	177	-68.7	169.7	0	0	0	109.8	T117 V118 T123 I124 A125 W148 E151 F152 F155 T156	T117-I121 HydrophobicContact CG2-CD1 3.89Å; T117-I121 VanDerWaalsContact O-CG1 3.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.41Å; V118-I121 PolarHBondContact O-N 3.25Å; I121-T123 PolarHBondContact O-N 3.22Å; I121-I124 PolarHBondContact O-N 3.32Å; I121-A125 WeakPolarHBondContact O-CB 3.4Å; I121-A125 PolarHBondContact O-N 3.34Å; I121-W148 HydrophobicContact CG1-CE3 4.41Å; I121-W148 HydrophobicContact CG1-CZ3 4.12Å; I121-E151 HydrophobicContact CD1-CB 3.6Å; I121-F152 HydrophobicContact CB-CE1 4.3Å; I121-F152 HydrophobicContact CD1-CD1 4.34Å; I121-F152 HydrophobicContact CD1-CD2 4.24Å; I121-F152 HydrophobicContact CD1-CE2 4.45Å; I121-F152 HydrophobicContact CD1-CG 4.17Å; I121-F152 HydrophobicContact CG1-CD1 4.01Å; I121-F152 HydrophobicContact CG1-CD2 4.29Å; I121-F152 HydrophobicContact CG1-CE1 3.76Å; I121-F152 HydrophobicContact CG1-CE2 4.06Å; I121-F152 HydrophobicContact CG1-CG 4.25Å; I121-F152 HydrophobicContact CG1-CZ 3.78Å; I121-F152 HydrophobicContact CG2-CD1 4Å; I121-F152 HydrophobicContact CG2-CE1 4.04Å; I121-F155 HydrophobicContact CG2-CB 4.39Å; I121-T156 HydrophobicContact CG2-CG2 3.55Å
122	A	90.8	Very high	87.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-42.8	175.1	0	0	0	0	0	111.9	P77 F80 M85 M93 V118 Q119 C120 I124 A125 L126	P77-A122 HydrophobicContact CG-CB 4.34Å; P77-A122 VanDerWaalsContact CG-O 3.26Å; P77-A122 WeakPolarHBondContact CG-O 3.33Å; F80-A122 HydrophobicContact CD2-CB 4.03Å; F80-A122 HydrophobicContact CE2-CB 4.22Å; M85-A122 HydrophobicContact CE-CB 3.69Å; M85-A122 HydrophobicContact SD-CB 3.57Å; M85-A122 VanDerWaalsContact SD-CB 3.57Å; M93-A122 HydrophobicContact CG-CB 3.96Å; V118-A122 WeakPolarHBondContact O-CB 3.41Å; V118-A122 PolarHBondContact O-N 3.09Å; Q119-A122 PolarHBondContact O-N 3.13Å; C120-A122 VanDerWaalsContact C-N 3.29Å; C120-A122 PolarHBondContact O-N 3.41Å; A122-I124 PolarHBondContact O-N 3.34Å; A122-A125 PolarHBondContact O-N 3.25Å; A122-L126 PolarHBondContact O-N 3.33Å
123	T	90.9	Very high	87.3	Confident	1 Å²	1	20 Å²	20	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-42.4	175.4	-53.4	0	0	0	0	112.2	L96 Q119 C120 I121 L126 M127	L96-T123 HydrophobicContact CB-CG2 4.01Å; L96-T123 WeakPolarHBondContact CD1-OG1 3.34Å; Q119-T123 PolarHBondContact O-N 2.84Å; Q119-T123 PolarHBondContact O-OG1 3.21Å; C120-T123 PolarHBondContact O-N 2.7Å; I121-T123 PolarHBondContact O-N 3.22Å; T123-L126 WeakPolarHBondContact O-CB 3.36Å; T123-L126 PolarHBondContact O-N 2.91Å; T123-M127 HydrophobicContact CG2-CE 3.69Å; T123-M127 WeakPolarHBondContact O-CG 3.37Å; T123-M127 PolarHBondContact O-N 3.16Å
124	I	91.4	Very high	87.7	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-44.9	175.5	-69.6	168.7	0	0	0	110.8	C120 I121 A122 L126 M127 I128 F136 F152 V190 I214	C120-I124 PolarHBondContact O-N 2.61Å; I121-I124 PolarHBondContact O-N 3.32Å; A122-I124 PolarHBondContact O-N 3.34Å; I124-L126 VanDerWaalsContact C-N 3.27Å; I124-L126 PolarHBondContact O-N 2.77Å; I124-M127 PolarHBondContact O-N 3.5Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.47Å; I124-F136 HydrophobicContact CG2-CD2 3.96Å; I124-F136 HydrophobicContact CG2-CE2 4.07Å; I124-F136 HydrophobicContact CG2-CG 4.34Å; I124-F152 HydrophobicContact CD1-CE1 4.32Å; I124-F152 HydrophobicContact CD1-CZ 3.88Å; I124-V190 HydrophobicContact CG2-CG2 4.17Å; I124-I214 HydrophobicContact CD1-CD1 3.8Å; I124-I214 HydrophobicContact CG1-CD1 4.36Å
125	A	89.6	Confident	88.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-38.1	176.8	0	0	0	0	0	112	P77 H79 I121 A122 I128 Q129 T156 I159	P77-A125 HydrophobicContact CB-CB 3.93Å; P77-A125 HydrophobicContact CG-CB 4.26Å; H79-A125 HydrophobicContact CB-CB 4.38Å; I121-A125 WeakPolarHBondContact O-CB 3.4Å; I121-A125 PolarHBondContact O-N 3.34Å; A122-A125 PolarHBondContact O-N 3.25Å; A125-I128 PolarHBondContact O-N 2.89Å; A125-Q129 WeakPolarHBondContact O-CB 3.33Å; A125-Q129 PolarHBondContact O-N 3.38Å; A125-T156 HydrophobicContact CB-CG2 4.05Å; A125-I159 HydrophobicContact CB-CD1 4Å
126	L	88.6	Confident	88.6	Confident	16 Å²	16	20.5 Å²	20.5	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-43.7	174.9	-175	69	0	0	0	112.2	P77 M93 R97 A122 T123 I124 I128 Q129 R130	P77-L126 HydrophobicContact CG-CB 4.04Å; M93-L126 HydrophobicContact SD-CD2 3.82Å; R97-L126 HydrophobicContact CB-CD2 3.84Å; R97-L126 HydrophobicContact CG-CD2 3.59Å; A122-L126 PolarHBondContact O-N 3.33Å; T123-L126 WeakPolarHBondContact O-CB 3.36Å; T123-L126 PolarHBondContact O-N 2.91Å; I124-L126 VanDerWaalsContact C-N 3.27Å; I124-L126 PolarHBondContact O-N 2.77Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 3.26Å; L126-Q129 WeakPolarHBondContact O-CB 3.17Å; L126-Q129 PolarHBondContact O-N 3.41Å; L126-R130 WeakPolarHBondContact O-CG 3.17Å; L126-R130 PolarHBondContact O-N 3.01Å; L126-R130 VanDerWaalsContact O-N 3.09Å
127	M	88.9	Confident	88.8	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-41.7	177.6	-68.9	177.4	-174.4	0	0	111.4	W100 T123 I124 R130 G131 V132 F136 Y212	W100-M127 HydrophobicContact CB-CE 3.71Å; W100-M127 HydrophobicContact CD2-CE 3.77Å; W100-M127 HydrophobicContact CD2-CG 3.98Å; W100-M127 HydrophobicContact CD2-SD 4.38Å; W100-M127 HydrophobicContact CE3-CE 4.47Å; W100-M127 HydrophobicContact CE3-CG 4.16Å; W100-M127 HydrophobicContact CG-CE 3.35Å; W100-M127 HydrophobicContact CG-SD 4.4Å; W100-M127 HydrophobicContact CH2-CG 4.29Å; W100-M127 HydrophobicContact CZ2-CG 4.14Å; W100-M127 HydrophobicContact CZ3-CG 4.29Å; T123-M127 HydrophobicContact CG2-CE 3.69Å; T123-M127 WeakPolarHBondContact O-CG 3.37Å; T123-M127 PolarHBondContact O-N 3.16Å; I124-M127 PolarHBondContact O-N 3.5Å; M127-R130 CarbonylContact O-C 3.57Å; M127-R130 PolarHBondContact O-N 3.08Å; M127-G131 PolarHBondContact O-N 2.9Å; M127-V132 HydrophobicContact CB-CB 4.3Å; M127-V132 HydrophobicContact CB-CG2 4.5Å; M127-V132 WeakPolarHBondContact O-CB 3.13Å; M127-V132 PolarHBondContact O-N 2.53Å; M127-F136 HydrophobicContact CB-CE1 4.46Å; M127-F136 HydrophobicContact CB-CZ 4.17Å; M127-F136 HydrophobicContact SD-CE1 3.89Å; M127-F136 HydrophobicContact SD-CZ 4.5Å; M127-Y212 HydrophobicContact CE-CD1 4.42Å; M127-Y212 HydrophobicContact CE-CD2 3.53Å; M127-Y212 HydrophobicContact CE-CE1 4.39Å; M127-Y212 HydrophobicContact CE-CE2 3.52Å; M127-Y212 HydrophobicContact CE-CG 4.03Å; M127-Y212 HydrophobicContact SD-CD2 4.19Å; M127-Y212 HydrophobicContact SD-CG 4.29Å
128	I	87.6	Confident	88.9	Confident	14 Å²	14	19 Å²	19	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-43.9	176.2	-70.8	161.7	0	0	0	110.8	I124 A125 L126 R130 G131 F136 I159 L185 I187	I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.47Å; A125-I128 PolarHBondContact O-N 2.89Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 3.26Å; I128-R130 PolarHBondContact O-N 3.21Å; I128-G131 PolarHBondContact O-N 2.99Å; I128-F136 HydrophobicContact CD1-CE2 4.02Å; I128-F136 HydrophobicContact CG1-CE2 3.79Å; I128-F136 HydrophobicContact CG1-CZ 4.26Å; I128-I159 HydrophobicContact CD1-CD1 3.69Å; I128-I159 HydrophobicContact CD1-CG1 4.04Å; I128-I159 HydrophobicContact CD1-CG2 3.98Å; I128-L185 HydrophobicContact CG2-CD1 4.45Å; I128-I187 HydrophobicContact CD1-CD1 3.77Å; I128-I187 HydrophobicContact CG1-CD1 4.29Å; I128-I187 HydrophobicContact CG2-CD1 4.05Å; I128-I187 HydrophobicContact CG2-CG2 4.18Å
129	Q	85.3	Confident	89.1	Confident	77 Å²	77	18.3 Å²	18.3	36%	0.36	11%	0.107	S	C	.	.	H	α-helix	trans	-59.5	-30.2	176.3	-172.7	-176.7	-33.1	0	0	112.3	A125 L126 G131	A125-Q129 WeakPolarHBondContact O-CB 3.33Å; A125-Q129 PolarHBondContact O-N 3.38Å; L126-Q129 WeakPolarHBondContact O-CB 3.17Å; L126-Q129 PolarHBondContact O-N 3.41Å; Q129-G131 PolarHBondContact O-N 3.33Å
130	R	86.4	Confident	89	Confident	110 Å²	110	18.3 Å²	18.3	42%	0.415	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.1	175.3	-72.1	177.8	163.4	-148.1	-1.4	114.2	W100 E101 L126 M127 I128	W100-R130 HydrophobicContact CH2-CB 4.27Å; E101-R130 IonicContact OE1-CZ 3.5Å; E101-R130 IonicContact OE1-NH1 3.14Å; E101-R130 PolarHBondContact OE1-NH1 3.28Å; E101-R130 IonicContact OE1-NH2 3.25Å; E101-R130 PolarHBondContact OE1-NH2 3.24Å; L126-R130 WeakPolarHBondContact O-CG 3.17Å; L126-R130 PolarHBondContact O-N 3.01Å; L126-R130 VanDerWaalsContact O-N 3.09Å; M127-R130 CarbonylContact O-C 3.57Å; M127-R130 PolarHBondContact O-N 3.08Å; I128-R130 PolarHBondContact O-N 3.21Å
131	G	84.1	Confident	88.6	Confident	61 Å²	61	18.4 Å²	18.4	63%	0.629	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	16.1	174.5	0	0	0	0	0	114.8	M127 I128 Q129 P133	M127-G131 PolarHBondContact O-N 2.9Å; I128-G131 PolarHBondContact O-N 2.99Å; Q129-G131 PolarHBondContact O-N 3.33Å; G131-P133 VanDerWaalsContact O-CD 3.28Å; G131-P133 WeakPolarHBondContact O-CD 3.46Å
132	V	85.9	Confident	88	Confident	30 Å²	30	22 Å²	22	18%	0.182	13%	0.126	C	C	.	.			trans	-85	112	173	-176.2	0	0	0	0	109.7	W100 M127 G134 F136 K211	W100-V132 HydrophobicContact CH2-CG2 4.33Å; W100-V132 HydrophobicContact CZ2-CG2 3.78Å; M127-V132 HydrophobicContact CB-CB 4.3Å; M127-V132 HydrophobicContact CB-CG2 4.5Å; M127-V132 WeakPolarHBondContact O-CB 3.13Å; M127-V132 PolarHBondContact O-N 2.53Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 2.79Å; V132-F136 HydrophobicContact CB-CZ 4.49Å; V132-F136 HydrophobicContact CG1-CE1 4.35Å; V132-F136 HydrophobicContact CG1-CZ 4.01Å; V132-K211 HydrophobicContact CG1-CB 4.33Å; V132-K211 HydrophobicContact CG1-CG 4.19Å
133	P	80.8	Confident	87.2	Confident	45 Å²	45	22.3 Å²	22.3	29%	0.292	13%	0.129	S	C	.	.			trans	-83	6.4	-172.1	34.6	-37	0	0	0	114.3	G131 I187 H188	G131-P133 VanDerWaalsContact O-CD 3.28Å; G131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-I187 HydrophobicContact CB-CG2 4.44Å; P133-H188 WeakPolarHBondContact O-CB 3.47Å; P133-H188 PolarHBondContact O-N 2.82Å; P133-H188 PolarHBondContact O-ND1 3.05Å
134	G	83.1	Confident	86.8	Confident	6 Å²	6	22.5 Å²	22.5	6%	0.062	13%	0.13	C	C	.	.			trans	81.7	-163.7	-171.4	0	0	0	0	0	113.4	V132	V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 2.79Å
135	P	89.4	Confident	86.5	Confident	20 Å²	20	22.6 Å²	22.6	13%	0.13	13%	0.131	C	C	.	.			cis	-81.6	150.1	6.6	33.3	-35.7	0	0	0	113.5	H188 Y209 W210 K211	P135-H188 HydrophobicContact CB-CB 4.05Å; P135-Y209 WeakPolarHBondContact CD-O 3.45Å; P135-Y209 WeakPolarHBondContact CG-O 3.06Å; P135-W210 HydrophobicContact CB-CE3 3.8Å; P135-W210 HydrophobicContact CB-CZ3 3.76Å; P135-W210 HydrophobicContact CG-CE3 3.94Å; P135-W210 HydrophobicContact CG-CZ3 4.28Å; P135-K211 PolarHBondContact O-N 3.3Å
136	F	92.8	Very high	86.1	Confident	2 Å²	2	24 Å²	24	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.7	178.8	-56.2	-71	0	0	0	110	I124 M127 I128 V132 V190 V191 K211	I124-F136 HydrophobicContact CG2-CD2 3.96Å; I124-F136 HydrophobicContact CG2-CE2 4.07Å; I124-F136 HydrophobicContact CG2-CG 4.34Å; M127-F136 HydrophobicContact CB-CE1 4.46Å; M127-F136 HydrophobicContact CB-CZ 4.17Å; M127-F136 HydrophobicContact SD-CE1 3.89Å; M127-F136 HydrophobicContact SD-CZ 4.5Å; I128-F136 HydrophobicContact CD1-CE2 4.02Å; I128-F136 HydrophobicContact CG1-CE2 3.79Å; I128-F136 HydrophobicContact CG1-CZ 4.26Å; V132-F136 HydrophobicContact CB-CZ 4.49Å; V132-F136 HydrophobicContact CG1-CE1 4.35Å; V132-F136 HydrophobicContact CG1-CZ 4.01Å; F136-V190 HydrophobicContact CB-CG1 4.26Å; F136-V190 HydrophobicContact CB-CG2 4.33Å; F136-V190 HydrophobicContact CD2-CG2 4.12Å; F136-V191 PolarHBondContact O-N 3.5Å; F136-K211 HydrophobicContact CD1-CB 4.39Å; F136-K211 HydrophobicContact CE1-CB 4.16Å
137	L	93.1	Very high	85.9	Confident	1 Å²	1	25 Å²	25	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	-180	-176.6	56.9	0	0	0	110.8	V191 T193 W210 Y212 L213 I214 F235	L137-V191 WeakPolarHBondContact CA-O 3.24Å; L137-V191 HydrophobicContact CD1-CB 4.04Å; L137-V191 HydrophobicContact CD1-CG1 3.9Å; L137-T193 HydrophobicContact CD1-CG2 3.8Å; L137-W210 HydrophobicContact CB-CD2 3.66Å; L137-W210 HydrophobicContact CB-CE3 3.49Å; L137-W210 VanDerWaalsContact CB-CE3 3.49Å; L137-W210 HydrophobicContact CB-CG 4.24Å; L137-W210 HydrophobicContact CB-CH2 4.18Å; L137-W210 HydrophobicContact CB-CZ2 4.38Å; L137-W210 HydrophobicContact CB-CZ3 3.74Å; L137-W210 HydrophobicContact CD1-CH2 4.06Å; L137-W210 HydrophobicContact CD1-CZ2 4.29Å; L137-W210 HydrophobicContact CD1-CZ3 4.35Å; L137-W210 HydrophobicContact CD2-CD2 4.09Å; L137-W210 HydrophobicContact CD2-CG 4.48Å; L137-W210 HydrophobicContact CD2-CH2 4.46Å; L137-W210 HydrophobicContact CD2-CZ2 3.97Å; L137-W210 HydrophobicContact CG-CD2 4.44Å; L137-W210 HydrophobicContact CG-CH2 4.48Å; L137-W210 HydrophobicContact CG-CZ2 4.46Å; L137-W210 HydrophobicContact CG-CZ3 4.5Å; L137-Y212 PolarHBondContact N-O 3.41Å; L137-L213 HydrophobicContact CB-CD1 3.93Å; L137-L213 HydrophobicContact CD2-CD1 3.73Å; L137-L213 HydrophobicContact CG-CD1 3.76Å; L137-L213 WeakPolarHBondContact O-CA 3.28Å; L137-I214 PolarHBondContact O-N 2.81Å; L137-F235 HydrophobicContact CD2-CD2 4.16Å; L137-F235 HydrophobicContact CD2-CE2 4.38Å
138	V	94.1	Very high	85.9	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.7	170.3	-175.2	0	0	0	0	108.5	W148 V190 V191 I192 T193 I214	V138-W148 HydrophobicContact CG1-CD2 3.92Å; V138-W148 HydrophobicContact CG1-CE3 4.08Å; V138-W148 HydrophobicContact CG1-CG 4.45Å; V138-W148 HydrophobicContact CG1-CH2 4.29Å; V138-W148 HydrophobicContact CG1-CZ2 4.17Å; V138-W148 HydrophobicContact CG1-CZ3 4.25Å; V138-V190 HydrophobicContact CG2-CG1 4.16Å; V138-V191 PolarHBondContact N-O 3.12Å; V138-I192 HydrophobicContact CB-CG1 4.33Å; V138-I192 WeakPolarHBondContact O-CA 3.47Å; V138-T193 PolarHBondContact O-N 3.47Å; V138-I214 WeakPolarHBondContact CA-O 3.31Å; V138-I214 HydrophobicContact CG1-CB 4.5Å; V138-I214 HydrophobicContact CG2-CB 4.31Å; V138-I214 HydrophobicContact CG2-CD1 4.42Å
139	C	91.9	Very high	85.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	177.2	-72.3	0	0	0	0	109.6	T193 F195 I214 V215 D216	C139-T193 WeakPolarHBondContact CA-O 3.38Å; C139-T193 HydrophobicContact CB-CG2 4.47Å; C139-T193 WeakPolarHBondContact SG-CG2 3.01Å; C139-F195 HydrophobicContact CB-CD1 4.43Å; C139-F195 HydrophobicContact CB-CE1 4.21Å; C139-I214 PolarHBondContact N-O 2.99Å; C139-V215 CarbonylContact O-C 3.55Å; C139-V215 WeakPolarHBondContact O-CA 3.36Å; C139-D216 PolarHBondContact O-N 3.22Å
140	G	88.9	Confident	86	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-179.5	177.8	0	0	0	0	0	113.8	T193 S194 F195	G140-T193 PolarHBondContact N-O 3.42Å; G140-S194 CarbonylContact O-C 3.52Å; G140-S194 VanDerWaalsContact O-CA 3.25Å; G140-S194 WeakPolarHBondContact O-CA 3.05Å; G140-F195 WeakPolarHBondContact O-CD2 3.37Å; G140-F195 PolarHBondContact O-N 2.96Å; G140-F195 VanDerWaalsContact O-N 3.08Å
141	P	83.7	Confident	86.1	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.013	14%	0.14	C	C	.	.			trans	-61.3	146.3	168	-19.4	31.6	0	0	0	111.6	S143 T144 L145 F195 E217 L541	P141-S143 WeakPolarHBondContact CB-OG 3.24Å; P141-S143 PolarHBondContact O-N 3.43Å; P141-T144 HydrophobicContact CB-CG2 4.23Å; P141-T144 HydrophobicContact CG-CG2 4.12Å; P141-T144 PolarHBondContact O-N 3.21Å; P141-T144 PolarHBondContact O-OG1 3.13Å; P141-L145 WeakPolarHBondContact O-CG 3.38Å; P141-F195 HydrophobicContact CG-CD2 4.43Å; P141-F195 HydrophobicContact CG-CE2 3.98Å; P141-E217 HydrophobicContact CG-CB 3.91Å; P141-E217 HydrophobicContact CG-CG 3.95Å; P141-L541 HydrophobicContact CB-CD2 3.8Å; P141-L541 HydrophobicContact CG-CD2 4.21Å
142	L	80.8	Confident	86.4	Confident	75 Å²	75	18 Å²	18	39%	0.393	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35	-177.2	179.4	60.9	0	0	0	113.6	L145 P146 H165	L142-L145 HydrophobicContact CD1-CD1 4.13Å; L142-P146 WeakPolarHBondContact O-CD 3.34Å; L142-H165 WeakPolarHBondContact CD1-CE1 3.38Å
143	S	74.4	Confident	86.5	Confident	8 Å²	8	23.3 Å²	23.3	6%	0.056	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.9	176.8	42.4	0	0	0	0	115.7	P141 P146 L541	P141-S143 WeakPolarHBondContact CB-OG 3.24Å; P141-S143 PolarHBondContact O-N 3.43Å; S143-P146 WeakPolarHBondContact O-CG 3.33Å; S143-L541 WeakPolarHBondContact OG-CB 3.24Å; S143-L541 VanDerWaalsContact OG-CD1 3.32Å; S143-L541 WeakPolarHBondContact OG-CD1 3.34Å; S143-L541 WeakPolarHBondContact OG-CD2 3.18Å; S143-L541 WeakPolarHBondContact OG-CG 3.27Å
144	T	81.8	Confident	86.8	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.025	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22	179.2	70.9	0	0	0	0	112.2	P141 N147 W148 D216	P141-T144 HydrophobicContact CB-CG2 4.23Å; P141-T144 HydrophobicContact CG-CG2 4.12Å; P141-T144 PolarHBondContact O-N 3.21Å; P141-T144 PolarHBondContact O-OG1 3.13Å; T144-N147 WeakPolarHBondContact O-CB 3.43Å; T144-N147 PolarHBondContact O-N 3.1Å; T144-N147 VanDerWaalsContact O-N 3.08Å; T144-W148 VanDerWaalsContact O-CD1 3.3Å; T144-W148 PolarHBondContact O-N 3.42Å; T144-D216 PolarHBondContact OG1-OD2 3.17Å
145	L	85.1	Confident	87	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-53.5	-44.9	179.3	-46.4	-175	0	0	0	114.7	P141 L142 N147 W148 M149 L163 I192 T193	P141-L145 WeakPolarHBondContact O-CG 3.38Å; L142-L145 HydrophobicContact CD1-CD1 4.13Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.93Å; L145-W148 PolarHBondContact O-N 3.29Å; L145-M149 WeakPolarHBondContact O-CG 3.41Å; L145-M149 PolarHBondContact O-N 3.44Å; L145-L163 HydrophobicContact CB-CD1 4Å; L145-L163 HydrophobicContact CD1-CD1 3.98Å; L145-I192 HydrophobicContact CB-CG2 4.18Å; L145-I192 HydrophobicContact CD2-CG2 3.79Å; L145-I192 HydrophobicContact CG-CG2 4.46Å; L145-T193 VanDerWaalsContact CD2-O 3.28Å; L145-T193 WeakPolarHBondContact CD2-O 3.46Å
146	P	81.6	Confident	86.9	Confident	29 Å²	29	28.3 Å²	28.3	19%	0.188	14%	0.14	C	C	.	.	H	α-helix	trans	-52.8	-47.8	173.2	-0.9	-10.5	0	0	0	112.4	L142 S143 W148 M149 A150 Y513	L142-P146 WeakPolarHBondContact O-CD 3.34Å; S143-P146 WeakPolarHBondContact O-CG 3.33Å; P146-W148 PolarHBondContact O-N 3.27Å; P146-M149 PolarHBondContact O-N 2.91Å; P146-A150 WeakPolarHBondContact O-CB 3.38Å; P146-A150 PolarHBondContact O-N 2.99Å; P146-Y513 HydrophobicContact CB-CE2 3.55Å; P146-Y513 VanDerWaalsContact CB-OH 3.31Å; P146-Y513 WeakPolarHBondContact CB-OH 3.36Å; P146-Y513 HydrophobicContact CG-CD2 4.17Å; P146-Y513 HydrophobicContact CG-CE2 3.4Å
147	N	84.5	Confident	86.5	Confident	38 Å²	38	31.8 Å²	31.8	20%	0.203	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-45.3	-179.5	-174	77.5	0	0	0	110.4	T144 L145 M149 A150 E151	T144-N147 WeakPolarHBondContact O-CB 3.43Å; T144-N147 PolarHBondContact O-N 3.1Å; T144-N147 VanDerWaalsContact O-N 3.08Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.93Å; N147-M149 VanDerWaalsContact C-N 3.34Å; N147-M149 PolarHBondContact O-N 3.23Å; N147-A150 PolarHBondContact O-N 3.45Å; N147-E151 WeakPolarHBondContact O-CB 3.35Å; N147-E151 WeakPolarHBondContact O-CG 3.42Å; N147-E151 PolarHBondContact O-N 3.49Å
148	W	89.3	Confident	86.1	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-47.3	173.9	-81.9	97	0	0	0	112.3	T117 C120 I121 V138 T144 L145 P146 A150 E151 F152 I192 I214 D216 L243	T117-W148 HydrophobicContact CG2-CD2 3.72Å; T117-W148 HydrophobicContact CG2-CE3 3.61Å; T117-W148 HydrophobicContact CG2-CG 4.39Å; T117-W148 HydrophobicContact CG2-CH2 4.04Å; T117-W148 HydrophobicContact CG2-CZ2 4.11Å; T117-W148 HydrophobicContact CG2-CZ3 3.79Å; C120-W148 HydrophobicContact CB-CH2 3.72Å; C120-W148 HydrophobicContact CB-CZ3 4.07Å; I121-W148 HydrophobicContact CG1-CE3 4.41Å; I121-W148 HydrophobicContact CG1-CZ3 4.12Å; V138-W148 HydrophobicContact CG1-CD2 3.92Å; V138-W148 HydrophobicContact CG1-CE3 4.08Å; V138-W148 HydrophobicContact CG1-CG 4.45Å; V138-W148 HydrophobicContact CG1-CH2 4.29Å; V138-W148 HydrophobicContact CG1-CZ2 4.17Å; V138-W148 HydrophobicContact CG1-CZ3 4.25Å; T144-W148 VanDerWaalsContact O-CD1 3.3Å; T144-W148 PolarHBondContact O-N 3.42Å; L145-W148 PolarHBondContact O-N 3.29Å; P146-W148 PolarHBondContact O-N 3.27Å; W148-A150 PolarHBondContact O-N 3.38Å; W148-E151 PolarHBondContact O-N 2.93Å; W148-F152 HydrophobicContact CE3-CD2 4.35Å; W148-F152 AromaticContact CE3-CE2 3.7Å; W148-F152 HydrophobicContact CE3-CE2 3.7Å; W148-F152 HydrophobicContact CE3-CZ 4.45Å; W148-F152 HydrophobicContact CZ3-CE2 4.22Å; W148-F152 WeakPolarHBondContact O-CD2 3.39Å; W148-F152 PolarHBondContact O-N 3.29Å; W148-I192 HydrophobicContact CB-CD1 4.06Å; W148-I192 HydrophobicContact CB-CG2 4.27Å; W148-I214 HydrophobicContact CH2-CG2 4.33Å; W148-D216 HydrophobicContact CZ2-CB 4.37Å; W148-D216 PolarHBondContact NE1-OD2 2.88Å; W148-L243 HydrophobicContact CH2-CD1 3.95Å; W148-L243 HydrophobicContact CZ2-CD1 3.64Å
149	M	88.1	Confident	85.7	Confident	26 Å²	26	35.6 Å²	35.6	13%	0.128	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-43.6	177.9	-72.6	-66.7	-59.1	0	0	112.5	L145 P146 N147 K153 T161 L163 I192	L145-M149 WeakPolarHBondContact O-CG 3.41Å; L145-M149 PolarHBondContact O-N 3.44Å; P146-M149 PolarHBondContact O-N 2.91Å; N147-M149 VanDerWaalsContact C-N 3.34Å; N147-M149 PolarHBondContact O-N 3.23Å; M149-K153 WeakPolarHBondContact O-CG 3.44Å; M149-K153 PolarHBondContact O-N 2.78Å; M149-K153 VanDerWaalsContact O-N 3.08Å; M149-T161 WeakPolarHBondContact CE-OG1 3.38Å; M149-L163 HydrophobicContact CE-CB 4.41Å; M149-L163 HydrophobicContact CG-CB 4.47Å; M149-L163 HydrophobicContact CG-CD1 4.46Å; M149-L163 HydrophobicContact SD-CB 4.09Å; M149-I192 HydrophobicContact CG-CD1 4.18Å; M149-I192 HydrophobicContact SD-CB 4.44Å; M149-I192 HydrophobicContact SD-CD1 3.6Å; M149-I192 VanDerWaalsContact SD-CD1 3.6Å; M149-I192 HydrophobicContact SD-CG1 4.33Å
150	A	85.7	Confident	85.5	Confident	56 Å²	56	36.9 Å²	36.9	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-42.9	177.9	0	0	0	0	0	111.5	P146 N147 W148 K153 R154	P146-A150 WeakPolarHBondContact O-CB 3.38Å; P146-A150 PolarHBondContact O-N 2.99Å; N147-A150 PolarHBondContact O-N 3.45Å; W148-A150 PolarHBondContact O-N 3.38Å; A150-K153 PolarHBondContact O-N 2.96Å; A150-R154 VanDerWaalsContact O-CB 3.29Å; A150-R154 WeakPolarHBondContact O-CB 3.44Å; A150-R154 PolarHBondContact O-N 2.86Å
151	E	89	Confident	85.5	Confident	30 Å²	30	38.7 Å²	38.7	14%	0.14	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-37.5	-179.8	-63.4	-73	-150	0	0	112	T117 I121 N147 W148 R154 F155	T117-E151 HydrophobicContact CG2-CB 4.15Å; T117-E151 HydrophobicContact CG2-CG 4.19Å; I121-E151 HydrophobicContact CD1-CB 3.6Å; N147-E151 WeakPolarHBondContact O-CB 3.35Å; N147-E151 WeakPolarHBondContact O-CG 3.42Å; N147-E151 PolarHBondContact O-N 3.49Å; W148-E151 PolarHBondContact O-N 2.93Å; E151-R154 PolarHBondContact O-N 3.42Å; E151-F155 HydrophobicContact CB-CD2 4.21Å; E151-F155 WeakPolarHBondContact O-CB 3.38Å; E151-F155 WeakPolarHBondContact O-CD2 3.44Å; E151-F155 PolarHBondContact O-N 3.18Å; E151-F155 WeakPolarHBondContact OE2-CD2 3.49Å; E151-F155 WeakPolarHBondContact OE2-CE2 3.5Å
152	F	90.4	Very high	85.8	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-45.1	171.7	-87.5	-72.2	0	0	0	111.9	I121 I124 W148 R154 T156 T161 V190 I192	I121-F152 HydrophobicContact CB-CE1 4.3Å; I121-F152 HydrophobicContact CD1-CD1 4.34Å; I121-F152 HydrophobicContact CD1-CD2 4.24Å; I121-F152 HydrophobicContact CD1-CE2 4.45Å; I121-F152 HydrophobicContact CD1-CG 4.17Å; I121-F152 HydrophobicContact CG1-CD1 4.01Å; I121-F152 HydrophobicContact CG1-CD2 4.29Å; I121-F152 HydrophobicContact CG1-CE1 3.76Å; I121-F152 HydrophobicContact CG1-CE2 4.06Å; I121-F152 HydrophobicContact CG1-CG 4.25Å; I121-F152 HydrophobicContact CG1-CZ 3.78Å; I121-F152 HydrophobicContact CG2-CD1 4Å; I121-F152 HydrophobicContact CG2-CE1 4.04Å; I124-F152 HydrophobicContact CD1-CE1 4.32Å; I124-F152 HydrophobicContact CD1-CZ 3.88Å; W148-F152 HydrophobicContact CE3-CD2 4.35Å; W148-F152 AromaticContact CE3-CE2 3.7Å; W148-F152 HydrophobicContact CE3-CE2 3.7Å; W148-F152 HydrophobicContact CE3-CZ 4.45Å; W148-F152 HydrophobicContact CZ3-CE2 4.22Å; W148-F152 WeakPolarHBondContact O-CD2 3.39Å; W148-F152 PolarHBondContact O-N 3.29Å; F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.29Å; F152-T156 CarbonylContact O-C 3.51Å; F152-T156 WeakPolarHBondContact O-CA 3.45Å; F152-T156 PolarHBondContact O-N 3.04Å; F152-T156 VanDerWaalsContact O-O 3.12Å; F152-T156 PolarHBondContact O-OG1 3.41Å; F152-T161 HydrophobicContact CB-CG2 3.44Å; F152-T161 VanDerWaalsContact CB-CG2 3.44Å; F152-T161 HydrophobicContact CD1-CG2 3.86Å; F152-T161 HydrophobicContact CD2-CG2 3.98Å; F152-T161 HydrophobicContact CG-CG2 3.52Å; F152-V190 HydrophobicContact CE1-CG1 4.33Å; F152-V190 HydrophobicContact CE1-CG2 4.37Å; F152-V190 HydrophobicContact CE2-CG1 4.14Å; F152-V190 HydrophobicContact CZ-CB 4.49Å; F152-V190 HydrophobicContact CZ-CG1 3.76Å; F152-I192 HydrophobicContact CD2-CD1 3.55Å; F152-I192 HydrophobicContact CE2-CD1 3.66Å; F152-I192 HydrophobicContact CE2-CG1 4.44Å
153	K	89.1	Confident	86.2	Confident	142 Å²	142	38.6 Å²	38.6	62%	0.617	20%	0.202	S	C	*	.	H	α-helix	trans	-61.1	-38	176.3	-74.7	177.8	-177.6	-179.7	0	112	M149 A150	M149-K153 WeakPolarHBondContact O-CG 3.44Å; M149-K153 PolarHBondContact O-N 2.78Å; M149-K153 VanDerWaalsContact O-N 3.08Å; A150-K153 PolarHBondContact O-N 2.96Å
154	R	85.9	Confident	86.9	Confident	157 Å²	157	38.3 Å²	38.3	59%	0.592	20%	0.199	S	C	*	.	H	α-helix	trans	-73	-54.1	-179.6	-177.8	-176.9	179.8	176.8	4.7	111.9	G82 A150 E151 F152	G82-R154 VanDerWaalsContact CA-O 3.22Å; G82-R154 WeakPolarHBondContact CA-O 3.37Å; A150-R154 VanDerWaalsContact O-CB 3.29Å; A150-R154 WeakPolarHBondContact O-CB 3.44Å; A150-R154 PolarHBondContact O-N 2.86Å; E151-R154 PolarHBondContact O-N 3.42Å; F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.29Å
155	F	86.9	Confident	87	Confident	20 Å²	20	41.8 Å²	41.8	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-88	-30.5	-168.9	-70.9	-61.4	0	0	0	114	F80 T81 G82 V118 I121 E151	F80-F155 CarbonylContact C-O 3.59Å; F80-F155 WeakPolarHBondContact CA-O 3.4Å; F80-F155 HydrophobicContact CD1-CD1 4.42Å; F80-F155 HydrophobicContact CD2-CB 4.1Å; F80-F155 HydrophobicContact CE1-CB 4.38Å; F80-F155 AromaticContact CE1-CD1 3.49Å; F80-F155 HydrophobicContact CE1-CD1 3.49Å; F80-F155 VanDerWaalsContact CE1-CD1 3.49Å; F80-F155 HydrophobicContact CE1-CE1 4.08Å; F80-F155 HydrophobicContact CE1-CG 4.2Å; F80-F155 HydrophobicContact CE2-CB 3.64Å; F80-F155 AromaticContact CE2-CD1 3.96Å; F80-F155 HydrophobicContact CE2-CD1 3.96Å; F80-F155 AromaticContact CE2-CG 3.83Å; F80-F155 HydrophobicContact CE2-CG 3.83Å; F80-F155 HydrophobicContact CZ-CB 3.81Å; F80-F155 AromaticContact CZ-CD1 3.2Å; F80-F155 HydrophobicContact CZ-CD1 3.2Å; F80-F155 HydrophobicContact CZ-CD2 4.35Å; F80-F155 AromaticContact CZ-CE1 3.79Å; F80-F155 HydrophobicContact CZ-CE1 3.79Å; F80-F155 AromaticContact CZ-CG 3.54Å; F80-F155 HydrophobicContact CZ-CG 3.54Å; T81-F155 PolarHBondContact N-O 2.84Å; G82-F155 PolarHBondContact N-O 3.05Å; G82-F155 WeakPolarHBondContact O-CE1 2.97Å; V118-F155 HydrophobicContact CG1-CE2 4.42Å; V118-F155 HydrophobicContact CG2-CD2 4.19Å; V118-F155 HydrophobicContact CG2-CE2 3.55Å; V118-F155 HydrophobicContact CG2-CZ 4.09Å; I121-F155 HydrophobicContact CG2-CB 4.39Å; E151-F155 HydrophobicContact CB-CD2 4.21Å; E151-F155 WeakPolarHBondContact O-CB 3.38Å; E151-F155 WeakPolarHBondContact O-CD2 3.44Å; E151-F155 PolarHBondContact O-N 3.18Å; E151-F155 WeakPolarHBondContact OE2-CD2 3.49Å; E151-F155 WeakPolarHBondContact OE2-CE2 3.5Å
156	T	87.4	Confident	87	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.			trans	-139.8	67.2	-175.3	57.8	0	0	0	0	111.2	F80 I121 A125 F152 D158 I159	F80-T156 HydrophobicContact CD2-CG2 4.27Å; I121-T156 HydrophobicContact CG2-CG2 3.55Å; A125-T156 HydrophobicContact CB-CG2 4.05Å; F152-T156 CarbonylContact O-C 3.51Å; F152-T156 WeakPolarHBondContact O-CA 3.45Å; F152-T156 PolarHBondContact O-N 3.04Å; F152-T156 VanDerWaalsContact O-O 3.12Å; F152-T156 PolarHBondContact O-OG1 3.41Å; T156-D158 PolarHBondContact O-N 3.13Å; T156-I159 HydrophobicContact CG2-CD1 3.9Å; T156-I159 PolarHBondContact O-N 3.02Å; T156-I159 VanDerWaalsContact O-N 3.16Å
157	P	85.9	Confident	87.2	Confident	75 Å²	75	45.1 Å²	45.1	49%	0.487	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.9	-174.3	25.6	-35	0	0	0	113.9	T81 I159	T81-P157 WeakPolarHBondContact OG1-CD 3.24Å; P157-I159 VanDerWaalsContact C-N 3.27Å; P157-I159 PolarHBondContact O-N 3.28Å
158	D	84.6	Confident	87.2	Confident	76 Å²	76	49.6 Å²	49.6	41%	0.406	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.5	179.6	-61	-34.8	0	0	0	113.3	T156 L185	T156-D158 PolarHBondContact O-N 3.13Å; D158-L185 HydrophobicContact CB-CD1 4.1Å
159	I	85.7	Confident	87	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.29	C	S	.	.	S	Bend	trans	-86.5	118.5	-178	-58.5	178.4	0	0	0	108.7	A125 I128 T156 P157 T161 I187 V190	A125-I159 HydrophobicContact CB-CD1 4Å; I128-I159 HydrophobicContact CD1-CD1 3.69Å; I128-I159 HydrophobicContact CD1-CG1 4.04Å; I128-I159 HydrophobicContact CD1-CG2 3.98Å; T156-I159 HydrophobicContact CG2-CD1 3.9Å; T156-I159 PolarHBondContact O-N 3.02Å; T156-I159 VanDerWaalsContact O-N 3.16Å; P157-I159 VanDerWaalsContact C-N 3.27Å; P157-I159 PolarHBondContact O-N 3.28Å; I159-T161 PolarHBondContact O-N 3.27Å; I159-I187 HydrophobicContact CG2-CD1 4.14Å; I159-V190 HydrophobicContact CG2-CG2 3.74Å
160	P	86.9	Confident	86.9	Confident	27 Å²	27	59.7 Å²	59.7	18%	0.175	31%	0.306	C	S	.	.			trans	-68.7	124.2	178.3	27.2	-29.8	0	0	0	110.2	K182 I187 P189 V190	P160-K182 HydrophobicContact CB-CB 4.3Å; P160-K182 HydrophobicContact CG-CB 4.39Å; P160-I187 HydrophobicContact CG-CD1 4.31Å; P160-I187 HydrophobicContact CG-CG1 3.87Å; P160-P189 HydrophobicContact CB-CB 4.42Å; P160-P189 CarbonylContact O-C 3.13Å; P160-P189 WeakPolarHBondContact O-CA 3.47Å; P160-V190 PolarHBondContact O-N 3.38Å
161	T	89.6	Confident	87	Confident	37 Å²	37	58.2 Å²	58.2	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.7	174.2	56.6	0	0	0	0	111.9	M149 F152 I159 V190	M149-T161 WeakPolarHBondContact CE-OG1 3.38Å; F152-T161 HydrophobicContact CB-CG2 3.44Å; F152-T161 VanDerWaalsContact CB-CG2 3.44Å; F152-T161 HydrophobicContact CD1-CG2 3.86Å; F152-T161 HydrophobicContact CD2-CG2 3.98Å; F152-T161 HydrophobicContact CG-CG2 3.52Å; I159-T161 PolarHBondContact O-N 3.27Å; T161-V190 HydrophobicContact CG2-CB 4.41Å
162	M	88.8	Confident	86.8	Confident	18 Å²	18	62.2 Å²	62.2	9%	0.089	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.9	176.3	179.9	-179.8	-73.3	0	0	110.7	Y164 L174 N177 I178 P189 V190 I192	M162-Y164 PolarHBondContact O-N 3.01Å; M162-L174 HydrophobicContact CE-CD2 4.39Å; M162-L174 HydrophobicContact CG-CD2 4.34Å; M162-L174 HydrophobicContact SD-CB 4.28Å; M162-L174 HydrophobicContact SD-CD2 4.13Å; M162-N177 HydrophobicContact CE-CB 3.28Å; M162-N177 HydrophobicContact SD-CB 4.47Å; M162-I178 HydrophobicContact SD-CG1 4.14Å; M162-P189 HydrophobicContact CB-CB 4.07Å; M162-P189 HydrophobicContact CE-CG 4.22Å; M162-V190 PolarHBondContact N-O 2.91Å; M162-I192 PolarHBondContact O-N 2.74Å
163	L	89.8	Confident	86.6	Confident	57 Å²	57	68.8 Å²	68.8	30%	0.298	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.5	167.1	-177.4	65.7	0	0	0	109.2	L145 M149 H165	L145-L163 HydrophobicContact CB-CD1 4Å; L145-L163 HydrophobicContact CD1-CD1 3.98Å; M149-L163 HydrophobicContact CE-CB 4.41Å; M149-L163 HydrophobicContact CG-CB 4.47Å; M149-L163 HydrophobicContact CG-CD1 4.46Å; M149-L163 HydrophobicContact SD-CB 4.09Å; L163-H165 HydrophobicContact CD1-CB 4.42Å; L163-H165 HydrophobicContact CD2-CB 4.21Å; L163-H165 HydrophobicContact CG-CB 3.95Å; L163-H165 PolarHBondContact O-N 3.27Å
164	Y	88.5	Confident	86.4	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	80.7	174.4	-167.6	-96.2	0	0	0	109.5	M162 R171 L174 V175 I178 V191 I192 T193 I197 D201	M162-Y164 PolarHBondContact O-N 3.01Å; Y164-R171 HydrophobicContact CE1-CG 4.36Å; Y164-R171 HydrophobicContact CE2-CB 4.31Å; Y164-L174 HydrophobicContact CD2-CB 3.9Å; Y164-L174 HydrophobicContact CD2-CD1 4.38Å; Y164-L174 HydrophobicContact CE2-CB 3.97Å; Y164-V175 HydrophobicContact CE2-CG2 3.66Å; Y164-V175 WeakPolarHBondContact OH-CG2 3.43Å; Y164-I178 HydrophobicContact CD2-CD1 4.36Å; Y164-I178 HydrophobicContact CE2-CD1 4.41Å; Y164-V191 HydrophobicContact CG-CG1 4.49Å; Y164-I192 PolarHBondContact N-O 3.49Å; Y164-T193 PolarHBondContact O-OG1 3.15Å; Y164-I197 HydrophobicContact CD1-CG2 3.43Å; Y164-I197 VanDerWaalsContact CD1-CG2 3.43Å; Y164-I197 HydrophobicContact CE1-CG2 3.43Å; Y164-I197 VanDerWaalsContact CE1-CG2 3.43Å; Y164-D201 HydrophobicContact CE1-CB 4.05Å; Y164-D201 VanDerWaalsContact CE1-OD2 3.28Å; Y164-D201 WeakPolarHBondContact CE1-OD2 3.5Å; Y164-D201 PolarHBondContact OH-OD2 3.23Å
165	H	85.4	Confident	86.4	Confident	78 Å²	78	57.7 Å²	57.7	36%	0.361	30%	0.296	S	S	.	.			trans	-142.7	164.1	178.6	-162.8	82	0	0	0	110	L142 L163 I197	L142-H165 WeakPolarHBondContact CD1-CE1 3.38Å; L163-H165 HydrophobicContact CD1-CB 4.42Å; L163-H165 HydrophobicContact CD2-CB 4.21Å; L163-H165 HydrophobicContact CG-CB 3.95Å; L163-H165 PolarHBondContact O-N 3.27Å; H165-I197 HydrophobicContact CB-CD1 4.13Å; H165-I197 WeakPolarHBondContact ND1-CD1 3.11Å
166	G	83.9	Confident	86.1	Confident	22 Å²	22	65.4 Å²	65.4	23%	0.227	33%	0.325	C	S	.	.	S	Bend	trans	121.8	-166.6	175	0	0	0	0	0	113.9	E170 R171	G166-E170 VanDerWaalsContact CA-OE2 3.28Å; G166-E170 WeakPolarHBondContact CA-OE2 3.49Å; G166-R171 PolarHBondContact O-NH1 2.86Å
167	T	85	Confident	85.9	Confident	80 Å²	80	67.2 Å²	67.2	49%	0.491	33%	0.334	S	S	.	.			trans	-70.9	166.1	178.8	64	0	0	0	0	111.7	E169 E170 R171	T167-E169 VanDerWaalsContact C-N 3.28Å; T167-E169 PolarHBondContact O-N 3.08Å; T167-E170 PolarHBondContact N-OE2 3.3Å; T167-E170 PolarHBondContact O-N 2.89Å; T167-E170 WeakPolarHBondContact OG1-CG 3.49Å; T167-E170 PolarHBondContact OG1-OE2 3.2Å; T167-R171 WeakPolarHBondContact O-CB 3.25Å; T167-R171 VanDerWaalsContact O-CG 3.26Å; T167-R171 WeakPolarHBondContact O-CG 3.49Å; T167-R171 PolarHBondContact O-N 3.31Å
168	Q	84.6	Confident	85.7	Confident	132 Å²	132	63.8 Å²	63.8	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-60.7	-37.8	-178	-174.1	172.1	-0.2	0	0	112.5	R171 Q172	Q168-R171 PolarHBondContact O-N 3.14Å; Q168-Q172 WeakPolarHBondContact O-CG 3.44Å; Q168-Q172 PolarHBondContact O-N 3.21Å
169	E	85.6	Confident	85.3	Confident	140 Å²	140	65.8 Å²	65.8	65%	0.654	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-42.9	178.7	-62.4	-175.9	-178.4	0	0	112.4	T167 R171 Q172 K173	T167-E169 VanDerWaalsContact C-N 3.28Å; T167-E169 PolarHBondContact O-N 3.08Å; E169-R171 VanDerWaalsContact C-N 3.33Å; E169-Q172 PolarHBondContact O-N 3.24Å; E169-K173 PolarHBondContact O-N 3.44Å
170	E	87.1	Confident	85	Confident	98 Å²	98	70.8 Å²	70.8	46%	0.458	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-45.5	174.5	-71.1	169.7	162.1	0	0	110.6	G166 T167 Q172 K173 L174	G166-E170 VanDerWaalsContact CA-OE2 3.28Å; G166-E170 WeakPolarHBondContact CA-OE2 3.49Å; T167-E170 PolarHBondContact N-OE2 3.3Å; T167-E170 PolarHBondContact O-N 2.89Å; T167-E170 WeakPolarHBondContact OG1-CG 3.49Å; T167-E170 PolarHBondContact OG1-OE2 3.2Å; E170-Q172 PolarHBondContact O-N 3.41Å; E170-K173 WeakPolarHBondContact O-CB 3.48Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.1Å; E170-L174 WeakPolarHBondContact O-CG 3.26Å; E170-L174 PolarHBondContact O-N 3.08Å
171	R	87.4	Confident	84.4	Confident	25 Å²	25	76.7 Å²	76.7	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-39.9	180	-69.4	-170.3	-37.6	-104.9	5.6	112.2	Y164 G166 T167 Q168 E169 K173 L174 V175 D201	Y164-R171 HydrophobicContact CE1-CG 4.36Å; Y164-R171 HydrophobicContact CE2-CB 4.31Å; G166-R171 PolarHBondContact O-NH1 2.86Å; T167-R171 WeakPolarHBondContact O-CB 3.25Å; T167-R171 VanDerWaalsContact O-CG 3.26Å; T167-R171 WeakPolarHBondContact O-CG 3.49Å; T167-R171 PolarHBondContact O-N 3.31Å; Q168-R171 PolarHBondContact O-N 3.14Å; E169-R171 VanDerWaalsContact C-N 3.33Å; R171-K173 VanDerWaalsContact C-N 3.29Å; R171-K173 PolarHBondContact O-N 3.15Å; R171-L174 PolarHBondContact O-N 3.28Å; R171-L174 VanDerWaalsContact O-N 3.09Å; R171-V175 WeakPolarHBondContact O-CG2 3.5Å; R171-V175 PolarHBondContact O-N 3.08Å; R171-D201 VanDerWaalsContact CD-OD2 3.29Å; R171-D201 WeakPolarHBondContact CD-OD2 3.06Å; R171-D201 IonicContact CZ-OD1 2.7Å; R171-D201 IonicContact CZ-OD2 2.89Å; R171-D201 IonicContact NE-OD1 3.48Å; R171-D201 PolarHBondContact NE-OD1 3.07Å; R171-D201 IonicContact NE-OD2 3.69Å; R171-D201 PolarHBondContact NE-OD2 3.29Å; R171-D201 IonicContact NH2-OD1 3.6Å; R171-D201 PolarHBondContact NH2-OD1 3.05Å; R171-D201 IonicContact NH2-OD2 3.38Å
172	Q	84.9	Confident	83.4	Confident	115 Å²	115	78.9 Å²	78.9	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-38.4	174	-74.1	178.4	3.8	0	0	112.9	Q168 E169 E170	Q168-Q172 WeakPolarHBondContact O-CG 3.44Å; Q168-Q172 PolarHBondContact O-N 3.21Å; E169-Q172 PolarHBondContact O-N 3.24Å; E170-Q172 PolarHBondContact O-N 3.41Å
173	K	85.4	Confident	82.2	Confident	138 Å²	138	80.6 Å²	80.6	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-68.7	-38.9	174.3	-64.6	173.6	-174	170.4	0	111.2	E169 E170 R171 R176 N177	E169-K173 PolarHBondContact O-N 3.44Å; E170-K173 WeakPolarHBondContact O-CB 3.48Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.1Å; R171-K173 VanDerWaalsContact C-N 3.29Å; R171-K173 PolarHBondContact O-N 3.15Å; K173-R176 PolarHBondContact O-N 3.38Å; K173-N177 PolarHBondContact O-ND2 3.47Å
174	L	85.6	Confident	80.8	Confident	38 Å²	38	83.9 Å²	83.9	20%	0.199	41%	0.406	C	S	.	.	H	α-helix	trans	-66	-40.4	178.9	-68.5	173.9	0	0	0	112.7	M162 Y164 E170 R171 R176 N177 I178	M162-L174 HydrophobicContact CE-CD2 4.39Å; M162-L174 HydrophobicContact CG-CD2 4.34Å; M162-L174 HydrophobicContact SD-CB 4.28Å; M162-L174 HydrophobicContact SD-CD2 4.13Å; Y164-L174 HydrophobicContact CD2-CB 3.9Å; Y164-L174 HydrophobicContact CD2-CD1 4.38Å; Y164-L174 HydrophobicContact CE2-CB 3.97Å; E170-L174 WeakPolarHBondContact O-CG 3.26Å; E170-L174 PolarHBondContact O-N 3.08Å; R171-L174 PolarHBondContact O-N 3.28Å; R171-L174 VanDerWaalsContact O-N 3.09Å; L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3Å; L174-N177 WeakPolarHBondContact O-CA 3.28Å; L174-N177 WeakPolarHBondContact O-CB 3.29Å; L174-N177 PolarHBondContact O-N 3.01Å; L174-I178 PolarHBondContact O-N 3.23Å
175	V	84.9	Confident	79.5	Confident	28 Å²	28	86.8 Å²	86.8	17%	0.17	42%	0.421	C	S	.	.	H	α-helix	trans	-54.6	-43	177.8	173.7	0	0	0	0	111.5	Y164 R171 N177 I178 Y179 A204	Y164-V175 HydrophobicContact CE2-CG2 3.66Å; Y164-V175 WeakPolarHBondContact OH-CG2 3.43Å; R171-V175 WeakPolarHBondContact O-CG2 3.5Å; R171-V175 PolarHBondContact O-N 3.08Å; V175-N177 PolarHBondContact O-N 2.86Å; V175-I178 WeakPolarHBondContact O-CB 3.26Å; V175-I178 PolarHBondContact O-N 2.92Å; V175-I178 VanDerWaalsContact O-N 3.13Å; V175-Y179 HydrophobicContact CG1-CE2 4.47Å; V175-A204 HydrophobicContact CG1-CB 4.28Å; V175-A204 HydrophobicContact CG2-CB 3.88Å
176	R	82.2	Confident	78.8	Confident	183 Å²	183	89.5 Å²	89.5	69%	0.691	43%	0.434	S	S	*	.	H	α-helix	trans	-63.1	-26.2	178	-63.7	-178.8	-175.3	165.9	2.1	112.9	K173 L174	K173-R176 PolarHBondContact O-N 3.38Å; L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3Å
177	N	82.1	Confident	78.6	Confident	38 Å²	38	88.9 Å²	88.9	20%	0.203	43%	0.426	C	S	.	.	H	α-helix	trans	-85.4	-13.5	179.8	-67.1	-31.6	0	0	0	113.1	M162 K173 L174 V175 Y179 K180	M162-N177 HydrophobicContact CE-CB 3.28Å; M162-N177 HydrophobicContact SD-CB 4.47Å; K173-N177 PolarHBondContact O-ND2 3.47Å; L174-N177 WeakPolarHBondContact O-CA 3.28Å; L174-N177 WeakPolarHBondContact O-CB 3.29Å; L174-N177 PolarHBondContact O-N 3.01Å; V175-N177 PolarHBondContact O-N 2.86Å; N177-Y179 VanDerWaalsContact C-N 3.32Å; N177-K180 PolarHBondContact O-N 2.99Å; N177-K180 PolarHBondContact OD1-NZ 2.86Å
178	I	81.8	Confident	78.5	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-39.9	175.2	-61.3	176.5	0	0	0	110.5	M162 Y164 L174 V175 K180 H188 V191 L205 W210	M162-I178 HydrophobicContact SD-CG1 4.14Å; Y164-I178 HydrophobicContact CD2-CD1 4.36Å; Y164-I178 HydrophobicContact CE2-CD1 4.41Å; L174-I178 PolarHBondContact O-N 3.23Å; V175-I178 WeakPolarHBondContact O-CB 3.26Å; V175-I178 PolarHBondContact O-N 2.92Å; V175-I178 VanDerWaalsContact O-N 3.13Å; I178-K180 VanDerWaalsContact C-N 3.29Å; I178-K180 PolarHBondContact O-N 3.43Å; I178-H188 PolarHBondContact O-CD2 2.94Å; I178-V191 HydrophobicContact CD1-CG2 4.28Å; I178-V191 HydrophobicContact CG1-CG2 3.97Å; I178-V191 HydrophobicContact CG2-CG2 4Å; I178-L205 HydrophobicContact CD1-CD2 4.3Å; I178-W210 HydrophobicContact CG2-CH2 4.05Å; I178-W210 HydrophobicContact CG2-CZ3 4.49Å
179	Y	76.4	Confident	78.5	Confident	118 Å²	118	80.3 Å²	80.3	46%	0.463	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.5	-179.8	-62	-81.1	0	0	0	114	V175 N177 C208	V175-Y179 HydrophobicContact CG1-CE2 4.47Å; N177-Y179 VanDerWaalsContact C-N 3.32Å; Y179-C208 VanDerWaalsContact CZ-SG 3.58Å; Y179-C208 PolarHBondContact OH-SG 2.97Å
180	K	78.8	Confident	78.8	Confident	111 Å²	111	73.6 Å²	73.6	48%	0.483	35%	0.349	S	S	.	.	S	Bend	trans	-87.7	125.7	-179	-68.1	-178.3	-175.2	174.3	0	109.8	N177 I178 K182 P189	N177-K180 PolarHBondContact O-N 2.99Å; N177-K180 PolarHBondContact OD1-NZ 2.86Å; I178-K180 VanDerWaalsContact C-N 3.29Å; I178-K180 PolarHBondContact O-N 3.43Å; K180-K182 PolarHBondContact O-N 3.46Å; K180-P189 WeakPolarHBondContact O-CD 3.4Å
181	R	75.3	Confident	79	Confident	150 Å²	150	69 Å²	69	57%	0.566	33%	0.327	S	S	*	.			trans	-69.1	127.7	167.2	-67.6	177.7	-176.7	-165.8	3.8	109.1	Q186 I187	R181-Q186 VanDerWaalsContact CD-O 3.26Å; R181-Q186 WeakPolarHBondContact CD-O 3.39Å; R181-Q186 WeakPolarHBondContact CG-O 3.21Å; R181-I187 WeakPolarHBondContact CA-O 3.28Å
182	K	68.3	Low	79.3	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-130.1	157.7	-177	-70.6	-172.1	177.9	-172.5	0	110.8	P160 K180 I187	P160-K182 HydrophobicContact CB-CB 4.3Å; P160-K182 HydrophobicContact CG-CB 4.39Å; K180-K182 PolarHBondContact O-N 3.46Å; K182-I187 PolarHBondContact N-O 2.87Å; K182-I187 PolarHBondContact O-N 3.13Å
183	G	63.1	Low	79.7	Confident	54 Å²	54	62.3 Å²	62.3	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	177.3	175.9	0	0	0	0	0	114.5	L185 Q186	G183-L185 PolarHBondContact O-N 3.17Å; G183-Q186 PolarHBondContact O-N 3.36Å
184	T	60.9	Low	79.9	Confident	126 Å²	126	55.9 Å²	55.9	77%	0.773	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.3	178	40.6	0	0	0	0	112.8
185	L	61.9	Low	80	Confident	63 Å²	63	54.2 Å²	54.2	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.6	-178.1	-61.5	171.7	0	0	0	114	I128 D158 G183 I187	I128-L185 HydrophobicContact CG2-CD1 4.45Å; D158-L185 HydrophobicContact CB-CD1 4.1Å; G183-L185 PolarHBondContact O-N 3.17Å; L185-I187 HydrophobicContact CB-CD1 4.17Å; L185-I187 HydrophobicContact CB-CG1 4.08Å; L185-I187 HydrophobicContact CB-CG2 4.22Å; L185-I187 HydrophobicContact CD1-CD1 4.25Å; L185-I187 WeakPolarHBondContact O-CG2 3.49Å; L185-I187 PolarHBondContact O-N 2.87Å
186	Q	70.3	Confident	80.1	Confident	135 Å²	135	57.9 Å²	57.9	63%	0.631	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	41.8	-175.9	-61.2	-164.4	-4.4	0	0	114.4	R181 G183	R181-Q186 VanDerWaalsContact CD-O 3.26Å; R181-Q186 WeakPolarHBondContact CD-O 3.39Å; R181-Q186 WeakPolarHBondContact CG-O 3.21Å; G183-Q186 PolarHBondContact O-N 3.36Å
187	I	78.9	Confident	80.4	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.046	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-103.2	157.4	-179.3	54.5	177.5	0	0	0	111.9	I128 P133 I159 P160 R181 K182 L185	I128-I187 HydrophobicContact CD1-CD1 3.77Å; I128-I187 HydrophobicContact CG1-CD1 4.29Å; I128-I187 HydrophobicContact CG2-CD1 4.05Å; I128-I187 HydrophobicContact CG2-CG2 4.18Å; P133-I187 HydrophobicContact CB-CG2 4.44Å; I159-I187 HydrophobicContact CG2-CD1 4.14Å; P160-I187 HydrophobicContact CG-CD1 4.31Å; P160-I187 HydrophobicContact CG-CG1 3.87Å; R181-I187 WeakPolarHBondContact CA-O 3.28Å; K182-I187 PolarHBondContact N-O 2.87Å; K182-I187 PolarHBondContact O-N 3.13Å; L185-I187 HydrophobicContact CB-CD1 4.17Å; L185-I187 HydrophobicContact CB-CG1 4.08Å; L185-I187 HydrophobicContact CB-CG2 4.22Å; L185-I187 HydrophobicContact CD1-CD1 4.25Å; L185-I187 WeakPolarHBondContact O-CG2 3.49Å; L185-I187 PolarHBondContact O-N 2.87Å
188	H	82.3	Confident	80.6	Confident	29 Å²	29	47.6 Å²	47.6	13%	0.134	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70	143.5	170.6	-60.6	91.2	0	0	0	109.6	P133 P135 I178	P133-H188 WeakPolarHBondContact O-CB 3.47Å; P133-H188 PolarHBondContact O-N 2.82Å; P133-H188 PolarHBondContact O-ND1 3.05Å; P135-H188 HydrophobicContact CB-CB 4.05Å; I178-H188 PolarHBondContact O-CD2 2.94Å
189	P	85.8	Confident	80.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.013	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-63.4	142.1	178.1	26.8	-34.2	0	0	0	111.4	P160 M162 K180 V191	P160-P189 HydrophobicContact CB-CB 4.42Å; P160-P189 CarbonylContact O-C 3.13Å; P160-P189 WeakPolarHBondContact O-CA 3.47Å; M162-P189 HydrophobicContact CB-CB 4.07Å; M162-P189 HydrophobicContact CE-CG 4.22Å; K180-P189 WeakPolarHBondContact O-CD 3.4Å; P189-V191 PolarHBondContact O-N 2.7Å
190	V	90.6	Very high	81.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.3	167.6	-179.3	0	0	0	0	107.8	I124 F136 V138 F152 I159 P160 T161 M162 I192	I124-V190 HydrophobicContact CG2-CG2 4.17Å; F136-V190 HydrophobicContact CB-CG1 4.26Å; F136-V190 HydrophobicContact CB-CG2 4.33Å; F136-V190 HydrophobicContact CD2-CG2 4.12Å; V138-V190 HydrophobicContact CG2-CG1 4.16Å; F152-V190 HydrophobicContact CE1-CG1 4.33Å; F152-V190 HydrophobicContact CE1-CG2 4.37Å; F152-V190 HydrophobicContact CE2-CG1 4.14Å; F152-V190 HydrophobicContact CZ-CB 4.49Å; F152-V190 HydrophobicContact CZ-CG1 3.76Å; I159-V190 HydrophobicContact CG2-CG2 3.74Å; P160-V190 PolarHBondContact O-N 3.38Å; T161-V190 HydrophobicContact CG2-CB 4.41Å; M162-V190 PolarHBondContact N-O 2.91Å; V190-I192 HydrophobicContact CG1-CG1 4.44Å
191	V	92.8	Very high	81.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124	-177.2	-178.5	0	0	0	0	109.2	F136 L137 V138 Y164 I178 P189 W210	F136-V191 PolarHBondContact O-N 3.5Å; L137-V191 WeakPolarHBondContact CA-O 3.24Å; L137-V191 HydrophobicContact CD1-CB 4.04Å; L137-V191 HydrophobicContact CD1-CG1 3.9Å; V138-V191 PolarHBondContact N-O 3.12Å; Y164-V191 HydrophobicContact CG-CG1 4.49Å; I178-V191 HydrophobicContact CD1-CG2 4.28Å; I178-V191 HydrophobicContact CG1-CG2 3.97Å; I178-V191 HydrophobicContact CG2-CG2 4Å; P189-V191 PolarHBondContact O-N 2.7Å; V191-W210 HydrophobicContact CB-CH2 3.89Å; V191-W210 HydrophobicContact CB-CZ3 4Å; V191-W210 HydrophobicContact CG1-CH2 4.26Å; V191-W210 HydrophobicContact CG2-CH2 3.81Å; V191-W210 HydrophobicContact CG2-CZ3 3.92Å
192	I	93.5	Very high	82.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	179.7	-53.7	-175.3	0	0	0	108.1	V138 L145 W148 M149 F152 M162 Y164 V190	V138-I192 HydrophobicContact CB-CG1 4.33Å; V138-I192 WeakPolarHBondContact O-CA 3.47Å; L145-I192 HydrophobicContact CB-CG2 4.18Å; L145-I192 HydrophobicContact CD2-CG2 3.79Å; L145-I192 HydrophobicContact CG-CG2 4.46Å; W148-I192 HydrophobicContact CB-CD1 4.06Å; W148-I192 HydrophobicContact CB-CG2 4.27Å; M149-I192 HydrophobicContact CG-CD1 4.18Å; M149-I192 HydrophobicContact SD-CB 4.44Å; M149-I192 HydrophobicContact SD-CD1 3.6Å; M149-I192 VanDerWaalsContact SD-CD1 3.6Å; M149-I192 HydrophobicContact SD-CG1 4.33Å; F152-I192 HydrophobicContact CD2-CD1 3.55Å; F152-I192 HydrophobicContact CE2-CD1 3.66Å; F152-I192 HydrophobicContact CE2-CG1 4.44Å; M162-I192 PolarHBondContact O-N 2.74Å; Y164-I192 PolarHBondContact N-O 3.49Å; V190-I192 HydrophobicContact CG1-CG1 4.44Å
193	T	92.2	Very high	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.1	-174.2	-167.6	0	0	0	0	112.9	L137 V138 C139 G140 L145 Y164 A198	L137-T193 HydrophobicContact CD1-CG2 3.8Å; V138-T193 PolarHBondContact O-N 3.47Å; C139-T193 WeakPolarHBondContact CA-O 3.38Å; C139-T193 HydrophobicContact CB-CG2 4.47Å; C139-T193 WeakPolarHBondContact SG-CG2 3.01Å; G140-T193 PolarHBondContact N-O 3.42Å; L145-T193 VanDerWaalsContact CD2-O 3.28Å; L145-T193 WeakPolarHBondContact CD2-O 3.46Å; Y164-T193 PolarHBondContact O-OG1 3.15Å; T193-A198 HydrophobicContact CG2-CB 4.2Å
194	S	90.4	Very high	84.1	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	154.8	173.3	69.5	0	0	0	0	111.5	G140 E196 I197 A198	G140-S194 CarbonylContact O-C 3.52Å; G140-S194 VanDerWaalsContact O-CA 3.25Å; G140-S194 WeakPolarHBondContact O-CA 3.05Å; S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.82Å; S194-I197 PolarHBondContact O-N 3.14Å; S194-I197 WeakPolarHBondContact OG-CB 3.34Å; S194-I197 VanDerWaalsContact OG-CG1 3.32Å; S194-I197 WeakPolarHBondContact OG-CG1 3.29Å; S194-I197 PolarHBondContact OG-N 3.38Å; S194-A198 WeakPolarHBondContact O-CB 3.38Å; S194-A198 PolarHBondContact O-N 3.42Å
195	F	88.1	Confident	85.3	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-53.9	-40.8	172.6	-69.5	-52.1	0	0	0	114	C139 G140 P141 A198 M199 V215 D216 L228 L232	C139-F195 HydrophobicContact CB-CD1 4.43Å; C139-F195 HydrophobicContact CB-CE1 4.21Å; G140-F195 WeakPolarHBondContact O-CD2 3.37Å; G140-F195 PolarHBondContact O-N 2.96Å; G140-F195 VanDerWaalsContact O-N 3.08Å; P141-F195 HydrophobicContact CG-CD2 4.43Å; P141-F195 HydrophobicContact CG-CE2 3.98Å; F195-A198 PolarHBondContact O-N 2.86Å; F195-M199 VanDerWaalsContact O-CG 3.24Å; F195-M199 WeakPolarHBondContact O-CG 3.48Å; F195-M199 PolarHBondContact O-N 2.7Å; F195-M199 VanDerWaalsContact O-N 3.12Å; F195-V215 HydrophobicContact CE1-CG1 3.55Å; F195-V215 HydrophobicContact CZ-CG1 3.72Å; F195-D216 WeakPolarHBondContact CZ-O 3.45Å; F195-L228 HydrophobicContact CB-CD1 3.97Å; F195-L228 HydrophobicContact CB-CD2 4.32Å; F195-L228 HydrophobicContact CD1-CD1 3.67Å; F195-L228 HydrophobicContact CD1-CD2 3.7Å; F195-L228 HydrophobicContact CD1-CG 4.26Å; F195-L228 HydrophobicContact CE1-CD1 4.49Å; F195-L228 HydrophobicContact CE1-CD2 4.01Å; F195-L228 HydrophobicContact CG-CD1 4.15Å; F195-L228 HydrophobicContact CG-CD2 3.93Å; F195-L232 HydrophobicContact CE1-CD1 4.46Å
196	E	86.6	Confident	86.5	Confident	105 Å²	105	38.5 Å²	38.5	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-67.2	-40.5	-178	-64.5	179.1	-167.8	0	0	111.7	S194 M199 R200	S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 2.82Å; E196-M199 PolarHBondContact O-N 3.42Å; E196-R200 VanDerWaalsContact O-CG 3.31Å; E196-R200 WeakPolarHBondContact O-CG 3.36Å; E196-R200 PolarHBondContact O-N 2.61Å
197	I	87.9	Confident	87.2	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-39.9	178.6	-66.9	178.5	0	0	0	111	Y164 H165 S194 M199 R200 D201	Y164-I197 HydrophobicContact CD1-CG2 3.43Å; Y164-I197 VanDerWaalsContact CD1-CG2 3.43Å; Y164-I197 HydrophobicContact CE1-CG2 3.43Å; Y164-I197 VanDerWaalsContact CE1-CG2 3.43Å; H165-I197 HydrophobicContact CB-CD1 4.13Å; H165-I197 WeakPolarHBondContact ND1-CD1 3.11Å; S194-I197 PolarHBondContact O-N 3.14Å; S194-I197 WeakPolarHBondContact OG-CB 3.34Å; S194-I197 VanDerWaalsContact OG-CG1 3.32Å; S194-I197 WeakPolarHBondContact OG-CG1 3.29Å; S194-I197 PolarHBondContact OG-N 3.38Å; I197-M199 PolarHBondContact O-N 3Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.14Å; I197-D201 PolarHBondContact O-N 3.34Å
198	A	87.6	Confident	87.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-54.7	-38.6	172.8	0	0	0	0	0	111.5	T193 S194 F195 R202 F235	T193-A198 HydrophobicContact CG2-CB 4.2Å; S194-A198 WeakPolarHBondContact O-CB 3.38Å; S194-A198 PolarHBondContact O-N 3.42Å; F195-A198 PolarHBondContact O-N 2.86Å; A198-R202 PolarHBondContact O-N 3.19Å; A198-F235 HydrophobicContact CB-CE2 4.2Å; A198-F235 HydrophobicContact CB-CZ 4.4Å; A198-F235 WeakPolarHBondContact O-CZ 3.31Å
199	M	86.6	Confident	87.7	Confident	37 Å²	37	44.7 Å²	44.7	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-75.1	-37.3	176.7	-66.8	172.8	72.7	0	0	113.7	F195 E196 I197 R227 L228 E231	F195-M199 VanDerWaalsContact O-CG 3.24Å; F195-M199 WeakPolarHBondContact O-CG 3.48Å; F195-M199 PolarHBondContact O-N 2.7Å; F195-M199 VanDerWaalsContact O-N 3.12Å; E196-M199 PolarHBondContact O-N 3.42Å; I197-M199 PolarHBondContact O-N 3Å; M199-R227 HydrophobicContact CE-CB 3.5Å; M199-R227 VanDerWaalsContact CE-CD 3.43Å; M199-R227 HydrophobicContact CE-CG 3.36Å; M199-L228 HydrophobicContact CG-CD1 3.86Å; M199-L228 HydrophobicContact SD-CB 3.96Å; M199-L228 HydrophobicContact SD-CD1 3.8Å; M199-L228 HydrophobicContact SD-CG 4.5Å; M199-E231 HydrophobicContact CB-CG 4.47Å; M199-E231 HydrophobicContact CG-CB 4.36Å; M199-E231 HydrophobicContact CG-CG 4.23Å
200	R	87.1	Confident	88	Confident	169 Å²	169	44.6 Å²	44.6	64%	0.638	20%	0.202	S	C	*	.	H	α-helix	trans	-70.7	-45.9	179.9	-73.8	176	-170	-178.2	6.3	111.8	E196 I197 R202	E196-R200 VanDerWaalsContact O-CG 3.31Å; E196-R200 WeakPolarHBondContact O-CG 3.36Å; E196-R200 PolarHBondContact O-N 2.61Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.14Å; R200-R202 VanDerWaalsContact C-N 3.33Å; R200-R202 PolarHBondContact O-N 2.85Å
201	D	87.6	Confident	88	Confident	27 Å²	27	48.7 Å²	48.7	14%	0.144	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	26.1	-174.1	-69.5	8.2	0	0	0	112.4	Y164 R171 I197 N203 A204 L205	Y164-D201 HydrophobicContact CE1-CB 4.05Å; Y164-D201 VanDerWaalsContact CE1-OD2 3.28Å; Y164-D201 WeakPolarHBondContact CE1-OD2 3.5Å; Y164-D201 PolarHBondContact OH-OD2 3.23Å; R171-D201 VanDerWaalsContact CD-OD2 3.29Å; R171-D201 WeakPolarHBondContact CD-OD2 3.06Å; R171-D201 IonicContact CZ-OD1 2.7Å; R171-D201 IonicContact CZ-OD2 2.89Å; R171-D201 IonicContact NE-OD1 3.48Å; R171-D201 PolarHBondContact NE-OD1 3.07Å; R171-D201 IonicContact NE-OD2 3.69Å; R171-D201 PolarHBondContact NE-OD2 3.29Å; R171-D201 IonicContact NH2-OD1 3.6Å; R171-D201 PolarHBondContact NH2-OD1 3.05Å; R171-D201 IonicContact NH2-OD2 3.38Å; I197-D201 PolarHBondContact O-N 3.34Å; D201-N203 PolarHBondContact O-N 3.33Å; D201-N203 VanDerWaalsContact O-N 3.07Å; D201-A204 PolarHBondContact O-N 3.05Å; D201-L205 PolarHBondContact O-N 3.37Å
202	R	84.6	Confident	88	Confident	77 Å²	77	49 Å²	49	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-49.6	-38.9	-177.5	67.1	178	-177.9	-154.2	-3.9	113.4	A198 R200 A204 L205 Q206 E231 F235	A198-R202 PolarHBondContact O-N 3.19Å; R200-R202 VanDerWaalsContact C-N 3.33Å; R200-R202 PolarHBondContact O-N 2.85Å; R202-A204 VanDerWaalsContact C-N 3.34Å; R202-A204 PolarHBondContact O-N 3.48Å; R202-L205 PolarHBondContact O-N 3.5Å; R202-Q206 WeakPolarHBondContact O-CB 3.28Å; R202-Q206 PolarHBondContact O-N 2.98Å; R202-E231 WeakPolarHBondContact CD-OE2 3.36Å; R202-E231 IonicContact CZ-OE1 3.89Å; R202-E231 IonicContact NE-OE2 2.72Å; R202-E231 IonicContact NH1-OE1 2.8Å; R202-E231 PolarHBondContact NH1-OE1 3.37Å; R202-E231 IonicContact NH1-OE2 3.69Å; R202-F235 HydrophobicContact CB-CE1 4.31Å
203	N	85.3	Confident	88	Confident	103 Å²	103	49 Å²	49	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-66.2	-39.1	-176.2	-69.3	-2.4	0	0	0	110.4	D201 H207	D201-N203 PolarHBondContact O-N 3.33Å; D201-N203 VanDerWaalsContact O-N 3.07Å; N203-H207 PolarHBondContact O-CE1 2.8Å; N203-H207 PolarHBondContact O-ND1 2.98Å
204	A	84.8	Confident	88	Confident	32 Å²	32	49 Å²	49	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-71.9	-42.6	178.6	0	0	0	0	0	111.7	V175 D201 R202	V175-A204 HydrophobicContact CG1-CB 4.28Å; V175-A204 HydrophobicContact CG2-CB 3.88Å; D201-A204 PolarHBondContact O-N 3.05Å; R202-A204 VanDerWaalsContact C-N 3.34Å; R202-A204 PolarHBondContact O-N 3.48Å
205	L	86.3	Confident	88.1	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.5	-26.5	-175.9	-63.2	172.9	0	0	0	113.4	I178 D201 R202 H207 C208 W210 F235	I178-L205 HydrophobicContact CD1-CD2 4.3Å; D201-L205 PolarHBondContact O-N 3.37Å; R202-L205 PolarHBondContact O-N 3.5Å; L205-H207 VanDerWaalsContact C-N 3.33Å; L205-H207 PolarHBondContact O-N 3.26Å; L205-C208 WeakPolarHBondContact O-CB 3.47Å; L205-C208 PolarHBondContact O-N 3.17Å; L205-W210 HydrophobicContact CD2-CZ2 3.9Å; L205-W210 PolarHBondContact O-NE1 2.7Å; L205-W210 VanDerWaalsContact O-NE1 3.15Å; L205-F235 HydrophobicContact CB-CD1 4.47Å; L205-F235 HydrophobicContact CB-CE1 3.86Å; L205-F235 HydrophobicContact CB-CE2 4.46Å; L205-F235 HydrophobicContact CB-CZ 3.86Å; L205-F235 HydrophobicContact CD1-CE2 4.44Å; L205-F235 HydrophobicContact CD1-CZ 4.06Å
206	Q	86.9	Confident	88.2	Confident	71 Å²	71	49.4 Å²	49.4	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-31.1	176.6	176.5	175.8	-4.6	0	0	113	R202 C208 F235	R202-Q206 WeakPolarHBondContact O-CB 3.28Å; R202-Q206 PolarHBondContact O-N 2.98Å; Q206-C208 PolarHBondContact O-N 3.46Å; Q206-F235 HydrophobicContact CB-CD1 4.37Å
207	H	84.9	Confident	88	Confident	136 Å²	136	45.1 Å²	45.1	63%	0.63	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.6	177.7	-68.5	83	0	0	0	112.6	N203 L205	N203-H207 PolarHBondContact O-CE1 2.8Å; N203-H207 PolarHBondContact O-ND1 2.98Å; L205-H207 VanDerWaalsContact C-N 3.33Å; L205-H207 PolarHBondContact O-N 3.26Å
208	C	84.9	Confident	87.3	Confident	1 Å²	1	45 Å²	45	1%	0.007	20%	0.204	C	C	.	.	S	Bend	trans	-84.7	129.4	174.8	-57.6	0	0	0	0	109.6	Y179 L205 Q206 W210	Y179-C208 VanDerWaalsContact CZ-SG 3.58Å; Y179-C208 PolarHBondContact OH-SG 2.97Å; L205-C208 WeakPolarHBondContact O-CB 3.47Å; L205-C208 PolarHBondContact O-N 3.17Å; Q206-C208 PolarHBondContact O-N 3.46Å; C208-W210 HydrophobicContact CB-CD2 4.3Å; C208-W210 HydrophobicContact CB-CH2 4.45Å; C208-W210 HydrophobicContact CB-CZ2 3.64Å; C208-W210 VanDerWaalsContact O-CD1 3.27Å; C208-W210 PolarHBondContact O-N 2.98Å; C208-W210 PolarHBondContact O-NE1 3.36Å
209	Y	88.3	Confident	86.6	Confident	166 Å²	166	46.9 Å²	46.9	65%	0.651	21%	0.212	S	C	*	.			trans	-88.5	104.5	170.5	-70.7	-84.3	0	0	0	109.7	P135 N236	P135-Y209 WeakPolarHBondContact CD-O 3.45Å; P135-Y209 WeakPolarHBondContact CG-O 3.06Å; Y209-N236 HydrophobicContact CD1-CB 3.86Å; Y209-N236 HydrophobicContact CE1-CB 4.14Å; Y209-N236 WeakPolarHBondContact CE1-ND2 3.4Å
210	W	91.4	Very high	85.9	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.1	-176.5	-57.8	97.8	0	0	0	111.2	P135 L137 I178 V191 L205 C208 N236 A237 D238	P135-W210 HydrophobicContact CB-CE3 3.8Å; P135-W210 HydrophobicContact CB-CZ3 3.76Å; P135-W210 HydrophobicContact CG-CE3 3.94Å; P135-W210 HydrophobicContact CG-CZ3 4.28Å; L137-W210 HydrophobicContact CB-CD2 3.66Å; L137-W210 HydrophobicContact CB-CE3 3.49Å; L137-W210 VanDerWaalsContact CB-CE3 3.49Å; L137-W210 HydrophobicContact CB-CG 4.24Å; L137-W210 HydrophobicContact CB-CH2 4.18Å; L137-W210 HydrophobicContact CB-CZ2 4.38Å; L137-W210 HydrophobicContact CB-CZ3 3.74Å; L137-W210 HydrophobicContact CD1-CH2 4.06Å; L137-W210 HydrophobicContact CD1-CZ2 4.29Å; L137-W210 HydrophobicContact CD1-CZ3 4.35Å; L137-W210 HydrophobicContact CD2-CD2 4.09Å; L137-W210 HydrophobicContact CD2-CG 4.48Å; L137-W210 HydrophobicContact CD2-CH2 4.46Å; L137-W210 HydrophobicContact CD2-CZ2 3.97Å; L137-W210 HydrophobicContact CG-CD2 4.44Å; L137-W210 HydrophobicContact CG-CH2 4.48Å; L137-W210 HydrophobicContact CG-CZ2 4.46Å; L137-W210 HydrophobicContact CG-CZ3 4.5Å; I178-W210 HydrophobicContact CG2-CH2 4.05Å; I178-W210 HydrophobicContact CG2-CZ3 4.49Å; V191-W210 HydrophobicContact CB-CH2 3.89Å; V191-W210 HydrophobicContact CB-CZ3 4Å; V191-W210 HydrophobicContact CG1-CH2 4.26Å; V191-W210 HydrophobicContact CG2-CH2 3.81Å; V191-W210 HydrophobicContact CG2-CZ3 3.92Å; L205-W210 HydrophobicContact CD2-CZ2 3.9Å; L205-W210 PolarHBondContact O-NE1 2.7Å; L205-W210 VanDerWaalsContact O-NE1 3.15Å; C208-W210 HydrophobicContact CB-CD2 4.3Å; C208-W210 HydrophobicContact CB-CH2 4.45Å; C208-W210 HydrophobicContact CB-CZ2 3.64Å; C208-W210 VanDerWaalsContact O-CD1 3.27Å; C208-W210 PolarHBondContact O-N 2.98Å; C208-W210 PolarHBondContact O-NE1 3.36Å; W210-N236 PolarHBondContact N-O 3.11Å; W210-A237 HydrophobicContact CB-CB 4.11Å; W210-A237 VanDerWaalsContact O-CA 3.25Å; W210-A237 WeakPolarHBondContact O-CA 3.36Å; W210-D238 PolarHBondContact O-N 3.02Å
211	K	91.1	Very high	85.2	Confident	86 Å²	86	42.2 Å²	42.2	37%	0.374	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-34	175.1	-67.9	-55.5	-174.4	179.4	0	112.9	V132 P135 F136 D238 N239	V132-K211 HydrophobicContact CG1-CB 4.33Å; V132-K211 HydrophobicContact CG1-CG 4.19Å; P135-K211 PolarHBondContact O-N 3.3Å; F136-K211 HydrophobicContact CD1-CB 4.39Å; F136-K211 HydrophobicContact CE1-CB 4.16Å; K211-D238 WeakPolarHBondContact CD-OD2 3.4Å; K211-D238 WeakPolarHBondContact CE-OD2 3.44Å; K211-D238 IonicContact NZ-OD2 2.86Å; K211-D238 PolarHBondContact NZ-OD2 3.15Å; K211-N239 PolarHBondContact O-N 3.44Å
212	Y	92.3	Very high	84.4	Confident	6 Å²	6	43.4 Å²	43.4	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	127.1	178.6	-149.8	-111.1	0	0	0	109	M127 L137 I214 N239 L241	M127-Y212 HydrophobicContact CE-CD1 4.42Å; M127-Y212 HydrophobicContact CE-CD2 3.53Å; M127-Y212 HydrophobicContact CE-CE1 4.39Å; M127-Y212 HydrophobicContact CE-CE2 3.52Å; M127-Y212 HydrophobicContact CE-CG 4.03Å; M127-Y212 HydrophobicContact SD-CD2 4.19Å; M127-Y212 HydrophobicContact SD-CG 4.29Å; L137-Y212 PolarHBondContact N-O 3.41Å; Y212-I214 HydrophobicContact CD1-CD1 3.82Å; Y212-I214 HydrophobicContact CD1-CG1 3.47Å; Y212-I214 VanDerWaalsContact CD1-CG1 3.47Å; Y212-I214 HydrophobicContact CE1-CD1 3.88Å; Y212-I214 HydrophobicContact CE1-CG1 3.65Å; Y212-N239 WeakPolarHBondContact CA-O 3.43Å; Y212-N239 HydrophobicContact CD2-CB 3.52Å; Y212-N239 HydrophobicContact CE2-CB 3.62Å; Y212-L241 HydrophobicContact CE1-CB 3.84Å; Y212-L241 HydrophobicContact CE1-CD2 3.95Å
213	L	92.8	Very high	83.6	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.6	174.5	173.5	61.1	0	0	0	109.2	L137 V215 A237 N239 K240 L241 F261	L137-L213 HydrophobicContact CB-CD1 3.93Å; L137-L213 HydrophobicContact CD2-CD1 3.73Å; L137-L213 HydrophobicContact CG-CD1 3.76Å; L137-L213 WeakPolarHBondContact O-CA 3.28Å; L213-V215 HydrophobicContact CD1-CG2 4.36Å; L213-V215 HydrophobicContact CD2-CG2 4.47Å; L213-V215 HydrophobicContact CG-CG2 4.13Å; L213-A237 HydrophobicContact CB-CB 3.78Å; L213-A237 HydrophobicContact CD2-CB 4.44Å; L213-N239 PolarHBondContact N-O 2.89Å; L213-K240 HydrophobicContact CB-CG 4.37Å; L213-K240 HydrophobicContact CD2-CG 4.38Å; L213-K240 CarbonylContact O-C 3.58Å; L213-K240 WeakPolarHBondContact O-CA 3.12Å; L213-L241 PolarHBondContact O-N 3.35Å; L213-F261 HydrophobicContact CD2-CZ 4.43Å
214	I	93.6	Very high	82.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.6	174.4	-52.8	-174.6	0	0	0	108.3	C120 I124 L137 V138 C139 W148 Y212 L241 L243	C120-I214 HydrophobicContact CB-CD1 3.94Å; I124-I214 HydrophobicContact CD1-CD1 3.8Å; I124-I214 HydrophobicContact CG1-CD1 4.36Å; L137-I214 PolarHBondContact O-N 2.81Å; V138-I214 WeakPolarHBondContact CA-O 3.31Å; V138-I214 HydrophobicContact CG1-CB 4.5Å; V138-I214 HydrophobicContact CG2-CB 4.31Å; V138-I214 HydrophobicContact CG2-CD1 4.42Å; C139-I214 PolarHBondContact N-O 2.99Å; W148-I214 HydrophobicContact CH2-CG2 4.33Å; Y212-I214 HydrophobicContact CD1-CD1 3.82Å; Y212-I214 HydrophobicContact CD1-CG1 3.47Å; Y212-I214 VanDerWaalsContact CD1-CG1 3.47Å; Y212-I214 HydrophobicContact CE1-CD1 3.88Å; Y212-I214 HydrophobicContact CE1-CG1 3.65Å; I214-L241 WeakPolarHBondContact CA-O 3.49Å; I214-L241 HydrophobicContact CD1-CD2 4.47Å; I214-L241 HydrophobicContact CG1-CB 4.44Å; I214-L241 HydrophobicContact CG1-CD2 4.44Å; I214-L241 HydrophobicContact CG2-CD2 4.4Å; I214-L243 HydrophobicContact CG2-CD1 3.75Å; I214-L243 HydrophobicContact CG2-CD2 4.49Å; I214-L243 HydrophobicContact CG2-CG 3.99Å
215	V	91.5	Very high	81.7	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.3	173.4	-174.6	0	0	0	0	109.7	C139 F195 L213 I221 L232 L241 L242 L243 F261	C139-V215 CarbonylContact O-C 3.55Å; C139-V215 WeakPolarHBondContact O-CA 3.36Å; F195-V215 HydrophobicContact CE1-CG1 3.55Å; F195-V215 HydrophobicContact CZ-CG1 3.72Å; L213-V215 HydrophobicContact CD1-CG2 4.36Å; L213-V215 HydrophobicContact CD2-CG2 4.47Å; L213-V215 HydrophobicContact CG-CG2 4.13Å; V215-I221 HydrophobicContact CB-CD1 4.48Å; V215-I221 HydrophobicContact CG1-CD1 3.67Å; V215-L232 HydrophobicContact CG2-CD1 4.41Å; V215-L241 PolarHBondContact N-O 2.98Å; V215-L242 HydrophobicContact CB-CD2 3.77Å; V215-L242 HydrophobicContact CG1-CD2 4.29Å; V215-L242 HydrophobicContact CG2-CD2 4.28Å; V215-L243 PolarHBondContact O-N 3Å; V215-F261 HydrophobicContact CG2-CE1 4.32Å; V215-F261 HydrophobicContact CG2-CZ 4.26Å
216	D	89.8	Confident	81.1	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.064	23%	0.23	C	C	.	.	S	Bend	trans	-87.8	148.8	179.7	-166.5	18.9	0	0	0	111.7	C139 T144 W148 F195 L243	C139-D216 PolarHBondContact O-N 3.22Å; T144-D216 PolarHBondContact OG1-OD2 3.17Å; W148-D216 HydrophobicContact CZ2-CB 4.37Å; W148-D216 PolarHBondContact NE1-OD2 2.88Å; F195-D216 WeakPolarHBondContact CZ-O 3.45Å; D216-L243 HydrophobicContact CB-CD1 4.34Å
217	E	81.9	Confident	80.8	Confident	15 Å²	15	54.3 Å²	54.3	7%	0.07	24%	0.241	C	C	.	.			trans	52.4	55.1	-174.4	-64.4	-64.5	177.9	0	0	113.4	P141 H219 R220 L243	P141-E217 HydrophobicContact CG-CB 3.91Å; P141-E217 HydrophobicContact CG-CG 3.95Å; E217-H219 PolarHBondContact O-N 2.91Å; E217-H219 IonicContact OE2-CE1 2.62Å; E217-H219 PolarHBondContact OE2-CE1 2.94Å; E217-H219 IonicContact OE2-ND1 3.85Å; E217-H219 PolarHBondContact OE2-ND1 2.91Å; E217-R220 PolarHBondContact O-N 3.43Å; E217-L243 PolarHBondContact N-O 2.81Å
218	G	74.7	Confident	80.7	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.4	-16.7	179.1	0	0	0	0	0	114.5	R220 I221 L243	G218-R220 PolarHBondContact O-N 3.34Å; G218-I221 WeakPolarHBondContact O-CA 3.42Å; G218-I221 VanDerWaalsContact O-CB 3.28Å; G218-I221 WeakPolarHBondContact O-CB 3.36Å; G218-I221 PolarHBondContact O-N 3.21Å; G218-L243 PolarHBondContact N-O 3.39Å
219	H	71.8	Confident	80.5	Confident	41 Å²	41	48.2 Å²	48.2	19%	0.19	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61.2	-7.9	168.9	78.4	-95	0	0	0	113.4	E217 I221 K222	E217-H219 PolarHBondContact O-N 2.91Å; E217-H219 IonicContact OE2-CE1 2.62Å; E217-H219 PolarHBondContact OE2-CE1 2.94Å; E217-H219 IonicContact OE2-ND1 3.85Å; E217-H219 PolarHBondContact OE2-ND1 2.91Å; H219-I221 VanDerWaalsContact C-N 3.3Å; H219-K222 WeakPolarHBondContact O-CD 3.08Å; H219-K222 WeakPolarHBondContact O-CE 3.48Å; H219-K222 WeakPolarHBondContact O-CG 3.2Å
220	R	73.1	Confident	80.2	Confident	107 Å²	107	47.7 Å²	47.7	40%	0.404	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-79.8	-12.4	168.7	-66.9	-169.5	67.1	174.2	0.1	113.2	E217 G218 K222	E217-R220 PolarHBondContact O-N 3.43Å; G218-R220 PolarHBondContact O-N 3.34Å; R220-K222 VanDerWaalsContact C-N 3.32Å; R220-K222 PolarHBondContact O-N 2.81Å
221	I	72.3	Confident	79.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.212	C	C	.	.			trans	-97.3	37.5	-176.7	-58.1	177.8	0	0	0	109.5	V215 G218 H219 N223 I229 L232 L242 L258	V215-I221 HydrophobicContact CB-CD1 4.48Å; V215-I221 HydrophobicContact CG1-CD1 3.67Å; G218-I221 WeakPolarHBondContact O-CA 3.42Å; G218-I221 VanDerWaalsContact O-CB 3.28Å; G218-I221 WeakPolarHBondContact O-CB 3.36Å; G218-I221 PolarHBondContact O-N 3.21Å; H219-I221 VanDerWaalsContact C-N 3.3Å; I221-N223 PolarHBondContact O-N 3.5Å; I221-I229 HydrophobicContact CB-CD1 4.06Å; I221-I229 HydrophobicContact CB-CG1 4.32Å; I221-I229 HydrophobicContact CG2-CD1 3.28Å; I221-I229 HydrophobicContact CG2-CG1 3.66Å; I221-L232 HydrophobicContact CD1-CD1 4.38Å; I221-L242 HydrophobicContact CD1-CD2 3.88Å; I221-L258 HydrophobicContact CB-CD2 3.9Å; I221-L258 HydrophobicContact CG2-CD2 3.83Å
222	K	69.4	Low	79.6	Confident	52 Å²	52	44.1 Å²	44.1	23%	0.226	19%	0.194	C	C	.	.			trans	-76	-23.3	-176.5	-50.6	-166.1	162.7	-172.5	0	114.6	H219 R220 E254	H219-K222 WeakPolarHBondContact O-CD 3.08Å; H219-K222 WeakPolarHBondContact O-CE 3.48Å; H219-K222 WeakPolarHBondContact O-CG 3.2Å; R220-K222 VanDerWaalsContact C-N 3.32Å; R220-K222 PolarHBondContact O-N 2.81Å; K222-E254 HydrophobicContact CB-CB 4.44Å; K222-E254 HydrophobicContact CB-CG 4.01Å; K222-E254 WeakPolarHBondContact CD-OE1 3.48Å; K222-E254 WeakPolarHBondContact CD-OE2 3.49Å; K222-E254 WeakPolarHBondContact CE-OE1 3.39Å; K222-E254 HydrophobicContact CG-CG 4.19Å; K222-E254 WeakPolarHBondContact CG-OE1 3.46Å; K222-E254 IonicContact NZ-OE1 3.54Å
223	N	68.1	Low	79.2	Confident	89 Å²	89	47 Å²	47	48%	0.476	21%	0.207	S	C	.	.			trans	-128.3	117.2	-168.3	-173.7	-14.4	0	0	0	110.4	I221 K225 C226 I229	I221-N223 PolarHBondContact O-N 3.5Å; N223-K225 PolarHBondContact O-N 3.46Å; N223-K225 WeakPolarHBondContact OD1-CB 3.48Å; N223-K225 PolarHBondContact OD1-N 2.88Å; N223-C226 HydrophobicContact CB-CB 4.47Å; N223-C226 WeakPolarHBondContact O-CA 2.83Å; N223-C226 WeakPolarHBondContact O-CB 3.38Å; N223-C226 PolarHBondContact O-N 3.34Å; N223-I229 WeakPolarHBondContact O-CD1 3.37Å
224	M	64	Low	78.9	Confident	45 Å²	45	52.3 Å²	52.3	22%	0.222	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.5	175.4	-81.1	-84	-65.4	0	0	114.6	C226 I229 K233 W256 S257 N260	M224-C226 PolarHBondContact O-N 3.18Å; M224-I229 HydrophobicContact SD-CG2 4.02Å; M224-K233 PolarHBondContact SD-NZ 3.23Å; M224-W256 HydrophobicContact CB-CZ3 4.23Å; M224-W256 HydrophobicContact CE-CH2 3.64Å; M224-W256 HydrophobicContact CE-CZ3 3.53Å; M224-W256 HydrophobicContact CG-CE3 3.98Å; M224-W256 HydrophobicContact CG-CZ3 3.6Å; M224-W256 HydrophobicContact SD-CZ3 4.17Å; M224-S257 VanDerWaalsContact CG-CB 3.46Å; M224-S257 WeakPolarHBondContact CG-OG 3.38Å; M224-S257 PolarHBondContact N-OG 3.14Å; M224-N260 HydrophobicContact CE-CB 4.45Å; M224-N260 HydrophobicContact SD-CB 4.42Å
225	K	67.4	Low	78.6	Confident	182 Å²	182	52.5 Å²	52.5	79%	0.791	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	172.9	-60.1	-179.4	-178.6	174.6	0	112.2	N223 R227	N223-K225 PolarHBondContact O-N 3.46Å; N223-K225 WeakPolarHBondContact OD1-CB 3.48Å; N223-K225 PolarHBondContact OD1-N 2.88Å; K225-R227 PolarHBondContact O-N 2.64Å
226	C	73.1	Confident	78.3	Confident	47 Å²	47	55.8 Å²	55.8	32%	0.318	25%	0.245	S	C	.	.	S	Bend	trans	-62.7	128.2	177.5	-169.8	0	0	0	0	109.8	N223 M224 L228 I229	N223-C226 HydrophobicContact CB-CB 4.47Å; N223-C226 WeakPolarHBondContact O-CA 2.83Å; N223-C226 WeakPolarHBondContact O-CB 3.38Å; N223-C226 PolarHBondContact O-N 3.34Å; M224-C226 PolarHBondContact O-N 3.18Å; C226-L228 PolarHBondContact O-N 3.13Å; C226-L228 VanDerWaalsContact O-N 3.13Å; C226-I229 HydrophobicContact CB-CG1 4.32Å; C226-I229 PolarHBondContact O-N 3.07Å
227	R	80.2	Confident	78.3	Confident	149 Å²	149	56.2 Å²	56.2	56%	0.562	25%	0.251	S	S	*	.	H	α-helix	trans	-54.3	-33.8	177.1	-171.3	-175.1	166.3	-178.7	-2.2	111.2	M199 K225 I229 R230 E231	M199-R227 HydrophobicContact CE-CB 3.5Å; M199-R227 VanDerWaalsContact CE-CD 3.43Å; M199-R227 HydrophobicContact CE-CG 3.36Å; K225-R227 PolarHBondContact O-N 2.64Å; R227-I229 PolarHBondContact O-N 3.37Å; R227-R230 PolarHBondContact O-N 2.85Å; R227-E231 HydrophobicContact CG-CG 4.43Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 3.21Å; R227-E231 VanDerWaalsContact O-N 3.1Å
228	L	82.5	Confident	78.6	Confident	8 Å²	8	60 Å²	60	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-49.1	179	179.2	60.9	0	0	0	113	F195 M199 C226 R230 E231 L232	F195-L228 HydrophobicContact CB-CD1 3.97Å; F195-L228 HydrophobicContact CB-CD2 4.32Å; F195-L228 HydrophobicContact CD1-CD1 3.67Å; F195-L228 HydrophobicContact CD1-CD2 3.7Å; F195-L228 HydrophobicContact CD1-CG 4.26Å; F195-L228 HydrophobicContact CE1-CD1 4.49Å; F195-L228 HydrophobicContact CE1-CD2 4.01Å; F195-L228 HydrophobicContact CG-CD1 4.15Å; F195-L228 HydrophobicContact CG-CD2 3.93Å; M199-L228 HydrophobicContact CG-CD1 3.86Å; M199-L228 HydrophobicContact SD-CB 3.96Å; M199-L228 HydrophobicContact SD-CD1 3.8Å; M199-L228 HydrophobicContact SD-CG 4.5Å; C226-L228 PolarHBondContact O-N 3.13Å; C226-L228 VanDerWaalsContact O-N 3.13Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.13Å; L228-E231 PolarHBondContact O-N 3.46Å; L228-L232 HydrophobicContact CD1-CD1 3.85Å; L228-L232 HydrophobicContact CD1-CG 3.99Å; L228-L232 HydrophobicContact CG-CD1 3.9Å; L228-L232 HydrophobicContact CG-CG 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 3.46Å
229	I	81.1	Confident	79.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-41.8	-177.9	-54.3	-169.3	0	0	0	110.3	I221 N223 M224 C226 R227 E231 L232 K233 F261	I221-I229 HydrophobicContact CB-CD1 4.06Å; I221-I229 HydrophobicContact CB-CG1 4.32Å; I221-I229 HydrophobicContact CG2-CD1 3.28Å; I221-I229 HydrophobicContact CG2-CG1 3.66Å; N223-I229 WeakPolarHBondContact O-CD1 3.37Å; M224-I229 HydrophobicContact SD-CG2 4.02Å; C226-I229 HydrophobicContact CB-CG1 4.32Å; C226-I229 PolarHBondContact O-N 3.07Å; R227-I229 PolarHBondContact O-N 3.37Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.38Å; I229-L232 PolarHBondContact O-N 2.96Å; I229-K233 HydrophobicContact CG2-CD 4.12Å; I229-K233 HydrophobicContact CG2-CG 4.35Å; I229-K233 WeakPolarHBondContact O-CB 3.35Å; I229-K233 VanDerWaalsContact O-CG 3.32Å; I229-K233 WeakPolarHBondContact O-CG 3.28Å; I229-K233 PolarHBondContact O-N 3.32Å; I229-F261 HydrophobicContact CG2-CD2 4.08Å
230	R	82.6	Confident	80.2	Confident	156 Å²	156	59.4 Å²	59.4	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-38.1	178.6	-66.5	178	63.3	-179.6	1.4	112.2	R227 L228 R234	R227-R230 PolarHBondContact O-N 2.85Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.13Å; R230-R234 WeakPolarHBondContact O-CG 3.09Å
231	E	85.3	Confident	81.1	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-76.5	-43.7	177.1	-58.1	-55	171.3	0	0	111.9	M199 R202 R227 L228 I229 K233 R234	M199-E231 HydrophobicContact CB-CG 4.47Å; M199-E231 HydrophobicContact CG-CB 4.36Å; M199-E231 HydrophobicContact CG-CG 4.23Å; R202-E231 WeakPolarHBondContact CD-OE2 3.36Å; R202-E231 IonicContact CZ-OE1 3.89Å; R202-E231 IonicContact NE-OE2 2.72Å; R202-E231 IonicContact NH1-OE1 2.8Å; R202-E231 PolarHBondContact NH1-OE1 3.37Å; R202-E231 IonicContact NH1-OE2 3.69Å; R227-E231 HydrophobicContact CG-CG 4.43Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 3.21Å; R227-E231 VanDerWaalsContact O-N 3.1Å; L228-E231 PolarHBondContact O-N 3.46Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.38Å; E231-K233 VanDerWaalsContact C-N 3.27Å; E231-K233 PolarHBondContact O-N 2.75Å; E231-R234 WeakPolarHBondContact O-CB 3.18Å; E231-R234 PolarHBondContact O-N 3.5Å; E231-R234 IonicContact OE2-NH1 3.47Å
232	L	85.1	Confident	82	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-31.9	179.1	-70.8	177	0	0	0	112.7	F195 V215 I221 L228 I229 R234 F235 F261	F195-L232 HydrophobicContact CE1-CD1 4.46Å; V215-L232 HydrophobicContact CG2-CD1 4.41Å; I221-L232 HydrophobicContact CD1-CD1 4.38Å; L228-L232 HydrophobicContact CD1-CD1 3.85Å; L228-L232 HydrophobicContact CD1-CG 3.99Å; L228-L232 HydrophobicContact CG-CD1 3.9Å; L228-L232 HydrophobicContact CG-CG 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 3.46Å; I229-L232 PolarHBondContact O-N 2.96Å; L232-R234 PolarHBondContact O-N 2.95Å; L232-F235 HydrophobicContact CD2-CD2 3.91Å; L232-F235 HydrophobicContact CD2-CE2 3.75Å; L232-F235 PolarHBondContact O-N 2.99Å; L232-F261 HydrophobicContact CB-CE2 3.66Å; L232-F261 HydrophobicContact CB-CZ 4.1Å; L232-F261 HydrophobicContact CD1-CE2 4.49Å; L232-F261 HydrophobicContact CD1-CZ 4.44Å
233	K	83.9	Confident	82.9	Confident	65 Å²	65	52 Å²	52	28%	0.283	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.4	174.2	-80.8	-179.2	172.4	-177.4	0	113.9	M224 I229 E231 F235 N260 F261	M224-K233 PolarHBondContact SD-NZ 3.23Å; I229-K233 HydrophobicContact CG2-CD 4.12Å; I229-K233 HydrophobicContact CG2-CG 4.35Å; I229-K233 WeakPolarHBondContact O-CB 3.35Å; I229-K233 VanDerWaalsContact O-CG 3.32Å; I229-K233 WeakPolarHBondContact O-CG 3.28Å; I229-K233 PolarHBondContact O-N 3.32Å; E231-K233 VanDerWaalsContact C-N 3.27Å; E231-K233 PolarHBondContact O-N 2.75Å; K233-F235 VanDerWaalsContact C-N 3.29Å; K233-N260 WeakPolarHBondContact CE-OD1 3.48Å; K233-N260 PolarHBondContact NZ-OD1 2.82Å; K233-F261 HydrophobicContact CG-CD2 3.92Å; K233-F261 HydrophobicContact CG-CE2 4.28Å
234	R	84.9	Confident	83.7	Confident	113 Å²	113	48.2 Å²	48.2	43%	0.426	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.7	177.4	-66.2	173.4	174	-157.8	-7.3	112.6	R230 E231 L232 N236	R230-R234 WeakPolarHBondContact O-CG 3.09Å; E231-R234 WeakPolarHBondContact O-CB 3.18Å; E231-R234 PolarHBondContact O-N 3.5Å; E231-R234 IonicContact OE2-NH1 3.47Å; L232-R234 PolarHBondContact O-N 2.95Å; R234-N236 PolarHBondContact O-N 2.69Å
235	F	87.3	Confident	84.1	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	21%	0.212	C	C	.	.	S	Bend	trans	-77.4	124.7	177.2	-62.4	-15.4	0	0	0	109.7	L137 A198 R202 L205 Q206 L232 K233 A237	L137-F235 HydrophobicContact CD2-CD2 4.16Å; L137-F235 HydrophobicContact CD2-CE2 4.38Å; A198-F235 HydrophobicContact CB-CE2 4.2Å; A198-F235 HydrophobicContact CB-CZ 4.4Å; A198-F235 WeakPolarHBondContact O-CZ 3.31Å; R202-F235 HydrophobicContact CB-CE1 4.31Å; L205-F235 HydrophobicContact CB-CD1 4.47Å; L205-F235 HydrophobicContact CB-CE1 3.86Å; L205-F235 HydrophobicContact CB-CE2 4.46Å; L205-F235 HydrophobicContact CB-CZ 3.86Å; L205-F235 HydrophobicContact CD1-CE2 4.44Å; L205-F235 HydrophobicContact CD1-CZ 4.06Å; Q206-F235 HydrophobicContact CB-CD1 4.37Å; L232-F235 HydrophobicContact CD2-CD2 3.91Å; L232-F235 HydrophobicContact CD2-CE2 3.75Å; L232-F235 PolarHBondContact O-N 2.99Å; K233-F235 VanDerWaalsContact C-N 3.29Å; F235-A237 PolarHBondContact O-N 2.98Å
236	N	85.7	Confident	84	Confident	70 Å²	70	38.2 Å²	38.2	37%	0.374	18%	0.177	S	C	.	.			trans	-75.3	111.3	176.7	-66.3	-11.3	0	0	0	108.4	Y209 W210 R234	Y209-N236 HydrophobicContact CD1-CB 3.86Å; Y209-N236 HydrophobicContact CE1-CB 4.14Å; Y209-N236 WeakPolarHBondContact CE1-ND2 3.4Å; W210-N236 PolarHBondContact N-O 3.11Å; R234-N236 PolarHBondContact O-N 2.69Å
237	A	89.2	Confident	83.4	Confident	22 Å²	22	36.9 Å²	36.9	18%	0.182	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.7	177.9	0	0	0	0	0	110.7	W210 L213 F235 K240	W210-A237 HydrophobicContact CB-CB 4.11Å; W210-A237 VanDerWaalsContact O-CA 3.25Å; W210-A237 WeakPolarHBondContact O-CA 3.36Å; L213-A237 HydrophobicContact CB-CB 3.78Å; L213-A237 HydrophobicContact CD2-CB 4.44Å; F235-A237 PolarHBondContact O-N 2.98Å; A237-K240 HydrophobicContact CB-CG 4.38Å
238	D	88.5	Confident	82.5	Confident	93 Å²	93	31.7 Å²	31.7	50%	0.497	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-41.9	179	-67.8	-14	0	0	0	111.2	W210 K211	W210-D238 PolarHBondContact O-N 3.02Å; K211-D238 WeakPolarHBondContact CD-OD2 3.4Å; K211-D238 WeakPolarHBondContact CE-OD2 3.44Å; K211-D238 IonicContact NZ-OD2 2.86Å; K211-D238 PolarHBondContact NZ-OD2 3.15Å
239	N	89.9	Confident	81.2	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.4	177.2	-69.3	-86	0	0	0	111.1	G103 N105 K211 Y212 L213	G103-N239 WeakPolarHBondContact CA-OD1 3.15Å; N105-N239 VanDerWaalsContact OD1-CA 3.3Å; N105-N239 WeakPolarHBondContact OD1-CA 3.36Å; K211-N239 PolarHBondContact O-N 3.44Å; Y212-N239 WeakPolarHBondContact CA-O 3.43Å; Y212-N239 HydrophobicContact CD2-CB 3.52Å; Y212-N239 HydrophobicContact CE2-CB 3.62Å; L213-N239 PolarHBondContact N-O 2.89Å
240	K	91.3	Very high	79.9	Confident	21 Å²	21	39.8 Å²	39.8	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.8	-179.4	-58.8	178.3	-171.3	167.7	0	110.5	N105 G106 L213 A237 F261 L262	N105-K240 WeakPolarHBondContact CA-O 3.48Å; N105-K240 HydrophobicContact CB-CB 4.39Å; N105-K240 WeakPolarHBondContact CB-O 3.05Å; N105-K240 PolarHBondContact OD1-N 2.87Å; G106-K240 PolarHBondContact N-O 3.09Å; G106-K240 VanDerWaalsContact N-O 3.14Å; L213-K240 HydrophobicContact CB-CG 4.37Å; L213-K240 HydrophobicContact CD2-CG 4.38Å; L213-K240 CarbonylContact O-C 3.58Å; L213-K240 WeakPolarHBondContact O-CA 3.12Å; A237-K240 HydrophobicContact CB-CG 4.38Å; K240-F261 HydrophobicContact CD-CE1 4.2Å; K240-F261 HydrophobicContact CD-CZ 4.26Å; K240-F261 PolarHBondContact NZ-O 3.17Å; K240-L262 HydrophobicContact CB-CD2 4.41Å
241	L	92	Very high	79	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127	175.4	178.1	62	0	0	0	109.8	L96 G106 L108 Y212 L213 I214 V215 L243	L96-L241 HydrophobicContact CD1-CD2 4.29Å; L96-L241 HydrophobicContact CD2-CD1 3.49Å; L96-L241 VanDerWaalsContact CD2-CD1 3.49Å; L96-L241 HydrophobicContact CD2-CD2 3.85Å; L96-L241 HydrophobicContact CD2-CG 4.33Å; G106-L241 WeakPolarHBondContact O-CA 3.41Å; L108-L241 HydrophobicContact CB-CD1 4.39Å; Y212-L241 HydrophobicContact CE1-CB 3.84Å; Y212-L241 HydrophobicContact CE1-CD2 3.95Å; L213-L241 PolarHBondContact O-N 3.35Å; I214-L241 WeakPolarHBondContact CA-O 3.49Å; I214-L241 HydrophobicContact CD1-CD2 4.47Å; I214-L241 HydrophobicContact CG1-CB 4.44Å; I214-L241 HydrophobicContact CG1-CD2 4.44Å; I214-L241 HydrophobicContact CG2-CD2 4.4Å; V215-L241 PolarHBondContact N-O 2.98Å; L241-L243 HydrophobicContact CD1-CD2 4.36Å; L241-L243 HydrophobicContact CD2-CD2 3.81Å; L241-L243 HydrophobicContact CG-CD2 3.82Å
242	L	90.6	Very high	78	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	171	-68.2	178	0	0	0	110	G106 I107 L108 V215 I221 L258 F261 L262	G106-L242 PolarHBondContact O-N 3.06Å; I107-L242 CarbonylContact C-O 3.58Å; I107-L242 WeakPolarHBondContact CA-O 3.47Å; I107-L242 HydrophobicContact CG1-CB 4.37Å; I107-L242 HydrophobicContact CG1-CD1 4.48Å; I107-L242 HydrophobicContact CG2-CB 4.48Å; L108-L242 PolarHBondContact N-O 3.49Å; V215-L242 HydrophobicContact CB-CD2 3.77Å; V215-L242 HydrophobicContact CG1-CD2 4.29Å; V215-L242 HydrophobicContact CG2-CD2 4.28Å; I221-L242 HydrophobicContact CD1-CD2 3.88Å; L242-L258 HydrophobicContact CD1-CB 4.44Å; L242-L258 HydrophobicContact CD1-CD2 3.85Å; L242-F261 HydrophobicContact CD1-CD1 4.05Å; L242-F261 HydrophobicContact CD2-CD1 3.81Å; L242-F261 HydrophobicContact CD2-CE1 3.65Å; L242-F261 HydrophobicContact CG-CD1 4.18Å; L242-F261 HydrophobicContact CG-CE1 4.32Å; L242-L262 HydrophobicContact CD1-CD1 4.1Å; L242-L262 HydrophobicContact CD1-CD2 3.84Å; L242-L262 HydrophobicContact CD1-CG 3.88Å; L242-L262 HydrophobicContact CG-CD2 3.8Å; L242-L262 HydrophobicContact CG-CG 4.41Å
243	L	89.4	Confident	77.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.6	172.2	-46.7	178.8	0	0	0	109.1	L108 C120 W148 I214 V215 D216 E217 G218 L241	L108-L243 HydrophobicContact CB-CD2 3.77Å; L108-L243 HydrophobicContact CD2-CD2 4.01Å; L108-L243 HydrophobicContact CG-CD2 4.47Å; C120-L243 WeakPolarHBondContact SG-CD2 3.47Å; W148-L243 HydrophobicContact CH2-CD1 3.95Å; W148-L243 HydrophobicContact CZ2-CD1 3.64Å; I214-L243 HydrophobicContact CG2-CD1 3.75Å; I214-L243 HydrophobicContact CG2-CD2 4.49Å; I214-L243 HydrophobicContact CG2-CG 3.99Å; V215-L243 PolarHBondContact O-N 3Å; D216-L243 HydrophobicContact CB-CD1 4.34Å; E217-L243 PolarHBondContact N-O 2.81Å; G218-L243 PolarHBondContact N-O 3.39Å; L241-L243 HydrophobicContact CD1-CD2 4.36Å; L241-L243 HydrophobicContact CD2-CD2 3.81Å; L241-L243 HydrophobicContact CG-CD2 3.82Å
244	T	84.3	Confident	76.8	Confident	11 Å²	11	37.7 Å²	37.7	7%	0.067	20%	0.198	C	C	.	.			trans	-134.2	137.9	173.1	-177.2	0	0	0	0	110.3	I107 L108 A109 T246	I107-T244 HydrophobicContact CG2-CG2 4.02Å; L108-T244 PolarHBondContact O-N 3.41Å; A109-T244 CarbonylContact C-O 3.51Å; A109-T244 VanDerWaalsContact CA-O 3.31Å; A109-T244 WeakPolarHBondContact CA-O 3.37Å; A109-T244 HydrophobicContact CB-CG2 3.58Å; T244-T246 PolarHBondContact OG1-N 3.36Å; T244-T246 PolarHBondContact OG1-O 3.29Å; T244-T246 VanDerWaalsContact OG1-O 3.07Å; T244-T246 PolarHBondContact OG1-OG1 3.4Å
245	G	71.4	Confident	76.3	Confident	7 Å²	7	33 Å²	33	7%	0.072	18%	0.182	C	C	.	.	S	Bend	trans	-87.2	-11.5	171.8	0	0	0	0	0	113.5
246	T	66.1	Low	75.8	Confident	9 Å²	9	33.5 Å²	33.5	6%	0.055	18%	0.183	C	C	.	.	S	Bend	trans	-125.1	142.2	-163.2	63.3	0	0	0	0	110.1	T244 Q561	T244-T246 PolarHBondContact OG1-N 3.36Å; T244-T246 PolarHBondContact OG1-O 3.29Å; T244-T246 VanDerWaalsContact OG1-O 3.07Å; T244-T246 PolarHBondContact OG1-OG1 3.4Å; T246-Q561 VanDerWaalsContact CB-CD 3.44Å; T246-Q561 VanDerWaalsContact CG2-CD 3.43Å; T246-Q561 HydrophobicContact CG2-CG 3.56Å; T246-Q561 PolarHBondContact OG1-NE2 2.7Å
247	P	61	Low	75.5	Confident	20 Å²	20	30.4 Å²	30.4	13%	0.13	17%	0.167	C	C	.	.			trans	-57.7	145.5	-179.9	24.2	-29.1	0	0	0	109.7	Q249 R312 E605 I609	P247-Q249 PolarHBondContact O-N 3.42Å; P247-Q249 VanDerWaalsContact O-N 3.08Å; P247-R312 VanDerWaalsContact CA-NH1 3.28Å; P247-R312 VanDerWaalsContact N-NH1 3.2Å; P247-E605 VanDerWaalsContact CD-OE1 3.28Å; P247-E605 WeakPolarHBondContact CD-OE1 3.29Å; P247-E605 HydrophobicContact CG-CG 3.79Å; P247-E605 WeakPolarHBondContact CG-OE1 3.36Å; P247-I609 HydrophobicContact CG-CD1 4.28Å
248	L	61	Low	75	Confident	39 Å²	39	29.8 Å²	29.8	20%	0.204	16%	0.161	C	C	.	.			trans	-56.8	115.9	171.7	-65.6	164.2	0	0	0	106.8	L255 L258 L310	L248-L255 HydrophobicContact CB-CD1 4.46Å; L248-L255 HydrophobicContact CD1-CD1 3.7Å; L248-L255 HydrophobicContact CD2-CD1 4.47Å; L248-L255 HydrophobicContact CG-CD1 4.43Å; L248-L258 HydrophobicContact CD2-CD1 3.22Å; L248-L310 HydrophobicContact CD1-CD1 3.4Å; L248-L310 VanDerWaalsContact CD1-CD1 3.4Å; L248-L310 HydrophobicContact CG-CD1 4.39Å
249	Q	54.8	Low	74.5	Confident	69 Å²	69	25.5 Å²	25.5	32%	0.322	14%	0.138	S	C	.	.			trans	-65.7	147.2	-179.1	-61	-173.6	-23.8	0	0	108.3	P247 N251 E254	P247-Q249 PolarHBondContact O-N 3.42Å; P247-Q249 VanDerWaalsContact O-N 3.08Å; Q249-N251 PolarHBondContact O-N 2.93Å; Q249-E254 PolarHBondContact OE1-OE2 2.81Å
250	N	53.8	Low	74.2	Confident	110 Å²	110	25.4 Å²	25.4	59%	0.588	14%	0.137	S	C	*	.	S	Bend	trans	-61	15.6	-179.1	-89.1	16.7	0	0	0	115.8	L252 I608	N250-L252 PolarHBondContact O-N 3.05Å; N250-I608 HydrophobicContact CB-CD1 4.26Å; N250-I608 WeakPolarHBondContact ND2-CD1 3.41Å; N250-I608 WeakPolarHBondContact ND2-CG1 3.42Å; N250-I608 VanDerWaalsContact OD1-CD1 3.27Å; N250-I608 WeakPolarHBondContact OD1-CD1 3.32Å
251	N	63	Low	73.8	Confident	85 Å²	85	24.4 Å²	24.4	46%	0.455	13%	0.133	S	C	.	.			trans	-84.1	105.3	170.9	-168.6	-8.5	0	0	0	108.9	Q249 S253 E254 L255	Q249-N251 PolarHBondContact O-N 2.93Å; N251-S253 PolarHBondContact ND2-OG 2.83Å; N251-S253 PolarHBondContact O-N 2.98Å; N251-S253 VanDerWaalsContact O-N 3.14Å; N251-S253 PolarHBondContact OD1-N 3.11Å; N251-S253 PolarHBondContact OD1-OG 3.15Å; N251-E254 HydrophobicContact CB-CB 4.07Å; N251-E254 WeakPolarHBondContact O-CA 3.3Å; N251-E254 WeakPolarHBondContact O-CB 3.48Å; N251-E254 PolarHBondContact O-N 3.01Å; N251-L255 PolarHBondContact O-N 2.9Å; N251-L255 VanDerWaalsContact O-N 3.12Å
252	L	65.5	Low	73.3	Confident	60 Å²	60	24.6 Å²	24.6	31%	0.314	13%	0.134	S	C	.	.	H	α-helix	trans	-52.7	-34.9	177.5	-68.1	170.1	0	0	0	112.1	N250 E254 L255 W256 F277 L302	N250-L252 PolarHBondContact O-N 3.05Å; L252-E254 VanDerWaalsContact C-N 3.32Å; L252-E254 PolarHBondContact O-N 3.21Å; L252-L255 PolarHBondContact O-N 3.12Å; L252-W256 WeakPolarHBondContact O-CB 3.32Å; L252-W256 PolarHBondContact O-N 2.9Å; L252-F277 HydrophobicContact CD1-CB 3.7Å; L252-F277 HydrophobicContact CD1-CD1 3.58Å; L252-F277 HydrophobicContact CD1-CD2 3.95Å; L252-F277 HydrophobicContact CD1-CE1 4.26Å; L252-F277 HydrophobicContact CD1-CG 3.45Å; L252-F277 VanDerWaalsContact CD1-CG 3.45Å; L252-F277 HydrophobicContact CD2-CD1 3.7Å; L252-F277 HydrophobicContact CD2-CD2 4.27Å; L252-F277 HydrophobicContact CD2-CE1 3.48Å; L252-F277 VanDerWaalsContact CD2-CE1 3.48Å; L252-F277 HydrophobicContact CD2-CE2 4.15Å; L252-F277 HydrophobicContact CD2-CG 4.14Å; L252-F277 HydrophobicContact CD2-CZ 3.79Å; L252-F277 HydrophobicContact CG-CD1 4.3Å; L252-F277 HydrophobicContact CG-CG 4.4Å; L252-L302 HydrophobicContact CD2-CD1 4.24Å
253	S	70.4	Confident	72.8	Confident	36 Å²	36	26.3 Å²	26.3	25%	0.252	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-31.3	175.3	70.6	0	0	0	0	113.3	N251 S257	N251-S253 PolarHBondContact ND2-OG 2.83Å; N251-S253 PolarHBondContact O-N 2.98Å; N251-S253 VanDerWaalsContact O-N 3.14Å; N251-S253 PolarHBondContact OD1-N 3.11Å; N251-S253 PolarHBondContact OD1-OG 3.15Å; S253-S257 VanDerWaalsContact O-CB 3.24Å; S253-S257 WeakPolarHBondContact O-CB 3.07Å; S253-S257 PolarHBondContact O-N 2.94Å; S253-S257 PolarHBondContact O-OG 2.74Å
254	E	73.4	Confident	72.2	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-73.1	-44.8	174.1	171	170.7	-179.5	0	0	110.8	K222 Q249 N251 L252 W256 S257 L258	K222-E254 HydrophobicContact CB-CB 4.44Å; K222-E254 HydrophobicContact CB-CG 4.01Å; K222-E254 WeakPolarHBondContact CD-OE1 3.48Å; K222-E254 WeakPolarHBondContact CD-OE2 3.49Å; K222-E254 WeakPolarHBondContact CE-OE1 3.39Å; K222-E254 HydrophobicContact CG-CG 4.19Å; K222-E254 WeakPolarHBondContact CG-OE1 3.46Å; K222-E254 IonicContact NZ-OE1 3.54Å; Q249-E254 PolarHBondContact OE1-OE2 2.81Å; N251-E254 HydrophobicContact CB-CB 4.07Å; N251-E254 WeakPolarHBondContact O-CA 3.3Å; N251-E254 WeakPolarHBondContact O-CB 3.48Å; N251-E254 PolarHBondContact O-N 3.01Å; L252-E254 VanDerWaalsContact C-N 3.32Å; L252-E254 PolarHBondContact O-N 3.21Å; E254-W256 VanDerWaalsContact C-N 3.35Å; E254-W256 PolarHBondContact O-N 2.97Å; E254-S257 WeakPolarHBondContact O-CB 3.45Å; E254-S257 PolarHBondContact O-N 2.71Å; E254-L258 HydrophobicContact CG-CD1 4.07Å; E254-L258 WeakPolarHBondContact O-CG 3.5Å; E254-L258 PolarHBondContact O-N 3.08Å
255	L	73.4	Confident	71.8	Confident	15 Å²	15	35.5 Å²	35.5	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-48.1	176.6	-177.6	68.5	0	0	0	111.1	L248 N251 L252 S257 L258 L259 F273 L302 L306	L248-L255 HydrophobicContact CB-CD1 4.46Å; L248-L255 HydrophobicContact CD1-CD1 3.7Å; L248-L255 HydrophobicContact CD2-CD1 4.47Å; L248-L255 HydrophobicContact CG-CD1 4.43Å; N251-L255 PolarHBondContact O-N 2.9Å; N251-L255 VanDerWaalsContact O-N 3.12Å; L252-L255 PolarHBondContact O-N 3.12Å; L255-S257 VanDerWaalsContact C-N 3.35Å; L255-S257 PolarHBondContact O-N 3.35Å; L255-L258 PolarHBondContact O-N 2.88Å; L255-L259 HydrophobicContact CG-CD1 4.2Å; L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.09Å; L255-F273 HydrophobicContact CD2-CZ 4.43Å; L255-L302 HydrophobicContact CD2-CD1 3.83Å; L255-L302 HydrophobicContact CD2-CD2 4.12Å; L255-L306 HydrophobicContact CD1-CD1 3.88Å; L255-L306 HydrophobicContact CD1-CD2 4.24Å; L255-L306 HydrophobicContact CD2-CD1 4.13Å
256	W	77.9	Confident	72.1	Confident	15 Å²	15	39.9 Å²	39.9	6%	0.057	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-41.3	175.5	-178.7	86.3	0	0	0	112	M224 L252 E254 L258 L259 N260 D269 L270 F273	M224-W256 HydrophobicContact CB-CZ3 4.23Å; M224-W256 HydrophobicContact CE-CH2 3.64Å; M224-W256 HydrophobicContact CE-CZ3 3.53Å; M224-W256 HydrophobicContact CG-CE3 3.98Å; M224-W256 HydrophobicContact CG-CZ3 3.6Å; M224-W256 HydrophobicContact SD-CZ3 4.17Å; L252-W256 WeakPolarHBondContact O-CB 3.32Å; L252-W256 PolarHBondContact O-N 2.9Å; E254-W256 VanDerWaalsContact C-N 3.35Å; E254-W256 PolarHBondContact O-N 2.97Å; W256-L258 VanDerWaalsContact C-N 3.26Å; W256-L258 PolarHBondContact O-N 3.44Å; W256-L259 PolarHBondContact O-N 3.49Å; W256-N260 HydrophobicContact CD2-CB 4.36Å; W256-N260 HydrophobicContact CH2-CB 4.5Å; W256-N260 WeakPolarHBondContact CH2-ND2 3.28Å; W256-N260 HydrophobicContact CZ2-CB 4.26Å; W256-N260 WeakPolarHBondContact CZ2-ND2 3.42Å; W256-N260 WeakPolarHBondContact O-CB 3.43Å; W256-N260 PolarHBondContact O-N 2.94Å; W256-D269 PolarHBondContact NE1-O 3.43Å; W256-L270 HydrophobicContact CB-CD1 4.04Å; W256-L270 HydrophobicContact CD2-CB 4.09Å; W256-L270 HydrophobicContact CD2-CD1 3.55Å; W256-L270 HydrophobicContact CD2-CG 4.4Å; W256-L270 HydrophobicContact CE3-CB 4.05Å; W256-L270 HydrophobicContact CE3-CD1 3.57Å; W256-L270 HydrophobicContact CE3-CG 4.26Å; W256-L270 HydrophobicContact CG-CD1 3.75Å; W256-L270 HydrophobicContact CH2-CB 3.71Å; W256-L270 HydrophobicContact CZ2-CB 3.77Å; W256-L270 HydrophobicContact CZ3-CB 3.82Å; W256-L270 HydrophobicContact CZ3-CD1 4.17Å; W256-L270 HydrophobicContact CZ3-CD2 4.47Å; W256-L270 HydrophobicContact CZ3-CG 4.37Å; W256-F273 HydrophobicContact CB-CD1 3.79Å; W256-F273 HydrophobicContact CB-CE1 3.85Å; W256-F273 HydrophobicContact CB-CG 4.4Å; W256-F273 VanDerWaalsContact CD1-CB 3.46Å; W256-F273 AromaticContact CD1-CD1 3.68Å; W256-F273 AromaticContact CD1-CD2 3.88Å; W256-F273 AromaticContact CD1-CG 3.4Å; W256-F273 VanDerWaalsContact CD1-CG 3.4Å; W256-F273 HydrophobicContact CG-CB 4.37Å; W256-F273 HydrophobicContact CG-CD1 4.02Å; W256-F273 HydrophobicContact CG-CE1 4.49Å; W256-F273 HydrophobicContact CG-CG 4.19Å
257	S	78.5	Confident	72.4	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-41	176.6	-66.2	0	0	0	0	112.2	M224 S253 E254 L255 F261	M224-S257 VanDerWaalsContact CG-CB 3.46Å; M224-S257 WeakPolarHBondContact CG-OG 3.38Å; M224-S257 PolarHBondContact N-OG 3.14Å; S253-S257 VanDerWaalsContact O-CB 3.24Å; S253-S257 WeakPolarHBondContact O-CB 3.07Å; S253-S257 PolarHBondContact O-N 2.94Å; S253-S257 PolarHBondContact O-OG 2.74Å; E254-S257 WeakPolarHBondContact O-CB 3.45Å; E254-S257 PolarHBondContact O-N 2.71Å; L255-S257 VanDerWaalsContact C-N 3.35Å; L255-S257 PolarHBondContact O-N 3.35Å; S257-F261 WeakPolarHBondContact O-CB 3.25Å; S257-F261 PolarHBondContact O-N 2.82Å
258	L	78.7	Confident	73	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-73	-43.7	178.1	-67.1	165	0	0	0	111.6	I221 L242 L248 E254 L255 W256 F261 L262	I221-L258 HydrophobicContact CB-CD2 3.9Å; I221-L258 HydrophobicContact CG2-CD2 3.83Å; L242-L258 HydrophobicContact CD1-CB 4.44Å; L242-L258 HydrophobicContact CD1-CD2 3.85Å; L248-L258 HydrophobicContact CD2-CD1 3.22Å; E254-L258 HydrophobicContact CG-CD1 4.07Å; E254-L258 WeakPolarHBondContact O-CG 3.5Å; E254-L258 PolarHBondContact O-N 3.08Å; L255-L258 PolarHBondContact O-N 2.88Å; W256-L258 VanDerWaalsContact C-N 3.26Å; W256-L258 PolarHBondContact O-N 3.44Å; L258-F261 WeakPolarHBondContact O-CB 3.44Å; L258-F261 PolarHBondContact O-N 3.19Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 3.25Å; L258-L262 VanDerWaalsContact O-N 3.15Å
259	L	78.8	Confident	73.8	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-47	177.2	-78.4	177	0	0	0	112.4	L255 W256 F261 L262 L263 F267 L306	L255-L259 HydrophobicContact CG-CD1 4.2Å; L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.09Å; W256-L259 PolarHBondContact O-N 3.49Å; L259-F261 VanDerWaalsContact C-N 3.25Å; L259-F261 PolarHBondContact O-N 3.27Å; L259-L262 PolarHBondContact O-N 2.94Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L259-L263 PolarHBondContact O-N 3.5Å; L259-F267 HydrophobicContact CB-CD2 4.05Å; L259-F267 HydrophobicContact CB-CE2 4.31Å; L259-F267 HydrophobicContact CB-CG 4.24Å; L259-F267 HydrophobicContact CD1-CE1 4.25Å; L259-F267 HydrophobicContact CD1-CE2 4.45Å; L259-F267 HydrophobicContact CD1-CZ 4.15Å; L259-F267 HydrophobicContact CD2-CE2 4.35Å; L259-L306 HydrophobicContact CD1-CD2 4.12Å; L259-L306 HydrophobicContact CD2-CD2 3.66Å; L259-L306 HydrophobicContact CG-CD2 4.19Å
260	N	83.6	Confident	74.7	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.053	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-35.5	175.7	-178.2	-43	0	0	0	111.2	M224 K233 W256 L262 L263 P264 F267	M224-N260 HydrophobicContact CE-CB 4.45Å; M224-N260 HydrophobicContact SD-CB 4.42Å; K233-N260 WeakPolarHBondContact CE-OD1 3.48Å; K233-N260 PolarHBondContact NZ-OD1 2.82Å; W256-N260 HydrophobicContact CD2-CB 4.36Å; W256-N260 HydrophobicContact CH2-CB 4.5Å; W256-N260 WeakPolarHBondContact CH2-ND2 3.28Å; W256-N260 HydrophobicContact CZ2-CB 4.26Å; W256-N260 WeakPolarHBondContact CZ2-ND2 3.42Å; W256-N260 WeakPolarHBondContact O-CB 3.43Å; W256-N260 PolarHBondContact O-N 2.94Å; N260-L262 VanDerWaalsContact C-N 3.32Å; N260-L262 PolarHBondContact O-N 3.37Å; N260-L263 CarbonylContact O-C 3.53Å; N260-P264 VanDerWaalsContact O-CA 3.22Å; N260-P264 WeakPolarHBondContact O-CA 3.35Å; N260-P264 WeakPolarHBondContact O-CB 3.48Å; N260-P264 VanDerWaalsContact O-N 3.15Å; N260-F267 HydrophobicContact CB-CB 4.28Å; N260-F267 WeakPolarHBondContact CB-O 3.36Å; N260-F267 PolarHBondContact ND2-O 2.85Å
261	F	83.3	Confident	75.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-38.3	174.5	178.7	-99.6	0	0	0	113.1	L213 V215 I229 L232 K233 K240 L242 S257 L258 L259	L213-F261 HydrophobicContact CD2-CZ 4.43Å; V215-F261 HydrophobicContact CG2-CE1 4.32Å; V215-F261 HydrophobicContact CG2-CZ 4.26Å; I229-F261 HydrophobicContact CG2-CD2 4.08Å; L232-F261 HydrophobicContact CB-CE2 3.66Å; L232-F261 HydrophobicContact CB-CZ 4.1Å; L232-F261 HydrophobicContact CD1-CE2 4.49Å; L232-F261 HydrophobicContact CD1-CZ 4.44Å; K233-F261 HydrophobicContact CG-CD2 3.92Å; K233-F261 HydrophobicContact CG-CE2 4.28Å; K240-F261 HydrophobicContact CD-CE1 4.2Å; K240-F261 HydrophobicContact CD-CZ 4.26Å; K240-F261 PolarHBondContact NZ-O 3.17Å; L242-F261 HydrophobicContact CD1-CD1 4.05Å; L242-F261 HydrophobicContact CD2-CD1 3.81Å; L242-F261 HydrophobicContact CD2-CE1 3.65Å; L242-F261 HydrophobicContact CG-CD1 4.18Å; L242-F261 HydrophobicContact CG-CE1 4.32Å; S257-F261 WeakPolarHBondContact O-CB 3.25Å; S257-F261 PolarHBondContact O-N 2.82Å; L258-F261 WeakPolarHBondContact O-CB 3.44Å; L258-F261 PolarHBondContact O-N 3.19Å; L259-F261 VanDerWaalsContact C-N 3.25Å; L259-F261 PolarHBondContact O-N 3.27Å
262	L	81.5	Confident	76.3	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-77.2	-48.5	178	-65	169.9	0	0	0	111.8	N105 I107 K240 L242 L258 L259 N260	N105-L262 HydrophobicContact CB-CB 4.06Å; N105-L262 HydrophobicContact CB-CD2 3.91Å; N105-L262 PolarHBondContact ND2-O 2.92Å; I107-L262 HydrophobicContact CD1-CD1 3.61Å; I107-L262 HydrophobicContact CG1-CD1 3.37Å; K240-L262 HydrophobicContact CB-CD2 4.41Å; L242-L262 HydrophobicContact CD1-CD1 4.1Å; L242-L262 HydrophobicContact CD1-CD2 3.84Å; L242-L262 HydrophobicContact CD1-CG 3.88Å; L242-L262 HydrophobicContact CG-CD2 3.8Å; L242-L262 HydrophobicContact CG-CG 4.41Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 3.25Å; L258-L262 VanDerWaalsContact O-N 3.15Å; L259-L262 PolarHBondContact O-N 2.94Å; L259-L262 VanDerWaalsContact O-N 3.1Å; N260-L262 VanDerWaalsContact C-N 3.32Å; N260-L262 PolarHBondContact O-N 3.37Å
263	L	79.2	Confident	76.5	Confident	39 Å²	39	43.8 Å²	43.8	20%	0.204	24%	0.237	C	C	.	.			trans	-129.3	75.7	-173.3	-65.5	172.7	0	0	0	109.3	L259 N260 D265 V266 F267 F309	L259-L263 PolarHBondContact O-N 3.5Å; N260-L263 CarbonylContact O-C 3.53Å; L263-D265 PolarHBondContact O-N 2.84Å; L263-V266 HydrophobicContact CB-CB 4.36Å; L263-V266 HydrophobicContact CB-CG2 4.45Å; L263-V266 PolarHBondContact O-N 2.84Å; L263-F267 HydrophobicContact CB-CD2 4.14Å; L263-F267 HydrophobicContact CD1-CE2 4.47Å; L263-F267 PolarHBondContact O-N 2.84Å; L263-F309 HydrophobicContact CD1-CE1 4.11Å; L263-F309 HydrophobicContact CD1-CZ 4.13Å
264	P	76.7	Confident	76.5	Confident	48 Å²	48	45 Å²	45	31%	0.312	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.7	-176.7	25.8	-34	0	0	0	112.6	N260	N260-P264 VanDerWaalsContact O-CA 3.22Å; N260-P264 WeakPolarHBondContact O-CA 3.35Å; N260-P264 WeakPolarHBondContact O-CB 3.48Å; N260-P264 VanDerWaalsContact O-N 3.15Å
265	D	76.3	Confident	76.3	Confident	156 Å²	156	47.2 Å²	47.2	83%	0.834	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.1	-176	-55.2	-32.8	0	0	0	113.1	L263	L263-D265 PolarHBondContact O-N 2.84Å
266	V	76.7	Confident	75.9	Confident	99 Å²	99	53.8 Å²	53.8	60%	0.6	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-32.3	179.2	-179.1	0	0	0	0	111.3	L263	L263-V266 HydrophobicContact CB-CB 4.36Å; L263-V266 HydrophobicContact CB-CG2 4.45Å; L263-V266 PolarHBondContact O-N 2.84Å
267	F	72.9	Confident	75	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.075	28%	0.284	C	S	.	.			trans	-121.8	62.5	-172.7	-63.3	-78.4	0	0	0	111.1	L259 N260 L263 F273 I305	L259-F267 HydrophobicContact CB-CD2 4.05Å; L259-F267 HydrophobicContact CB-CE2 4.31Å; L259-F267 HydrophobicContact CB-CG 4.24Å; L259-F267 HydrophobicContact CD1-CE1 4.25Å; L259-F267 HydrophobicContact CD1-CE2 4.45Å; L259-F267 HydrophobicContact CD1-CZ 4.15Å; L259-F267 HydrophobicContact CD2-CE2 4.35Å; N260-F267 HydrophobicContact CB-CB 4.28Å; N260-F267 WeakPolarHBondContact CB-O 3.36Å; N260-F267 PolarHBondContact ND2-O 2.85Å; L263-F267 HydrophobicContact CB-CD2 4.14Å; L263-F267 HydrophobicContact CD1-CE2 4.47Å; L263-F267 PolarHBondContact O-N 2.84Å; F267-F273 HydrophobicContact CD1-CD2 4.22Å; F267-F273 HydrophobicContact CD1-CE2 4.43Å; F267-F273 HydrophobicContact CE1-CD2 4.33Å; F267-F273 HydrophobicContact CE1-CE2 4.22Å; F267-I305 HydrophobicContact CZ-CG2 4.31Å
268	D	74.1	Confident	73.9	Confident	123 Å²	123	59.3 Å²	59.3	66%	0.658	31%	0.308	S	S	*	.			trans	-82.1	-38.9	-174.8	63.1	-21.3	0	0	0	113.6
269	D	76.8	Confident	72.6	Confident	59 Å²	59	66 Å²	66	32%	0.316	34%	0.342	S	S	.	.			trans	-108	122.9	-176.5	-176.5	29.4	0	0	0	113.4	W256 K271 S272 F273	W256-D269 PolarHBondContact NE1-O 3.43Å; D269-K271 PolarHBondContact OD1-N 2.83Å; D269-S272 WeakPolarHBondContact OD2-CB 3.04Å; D269-S272 PolarHBondContact OD2-N 3.07Å; D269-S272 PolarHBondContact OD2-OG 3.05Å; D269-F273 PolarHBondContact O-N 3.06Å
270	L	74.9	Confident	71.2	Confident	49 Å²	49	69.6 Å²	69.6	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-69	-36.3	175.2	177.8	63.8	0	0	0	110.6	W256 F273 E274	W256-L270 HydrophobicContact CB-CD1 4.04Å; W256-L270 HydrophobicContact CD2-CB 4.09Å; W256-L270 HydrophobicContact CD2-CD1 3.55Å; W256-L270 HydrophobicContact CD2-CG 4.4Å; W256-L270 HydrophobicContact CE3-CB 4.05Å; W256-L270 HydrophobicContact CE3-CD1 3.57Å; W256-L270 HydrophobicContact CE3-CG 4.26Å; W256-L270 HydrophobicContact CG-CD1 3.75Å; W256-L270 HydrophobicContact CH2-CB 3.71Å; W256-L270 HydrophobicContact CZ2-CB 3.77Å; W256-L270 HydrophobicContact CZ3-CB 3.82Å; W256-L270 HydrophobicContact CZ3-CD1 4.17Å; W256-L270 HydrophobicContact CZ3-CD2 4.47Å; W256-L270 HydrophobicContact CZ3-CG 4.37Å; L270-F273 PolarHBondContact O-N 3.08Å; L270-E274 HydrophobicContact CD1-CG 4Å; L270-E274 HydrophobicContact CG-CG 4.13Å; L270-E274 WeakPolarHBondContact O-CB 3.47Å; L270-E274 WeakPolarHBondContact O-CG 3.45Å; L270-E274 PolarHBondContact O-N 3.25Å
271	K	74.8	Confident	69.5	Low	160 Å²	160	74.2 Å²	74.2	70%	0.696	40%	0.398	S	S	*	.	H	α-helix	trans	-70.6	-37.9	-176.9	-65.7	-177.8	179.5	-178.8	0	112	D269 F273 E274 S275	D269-K271 PolarHBondContact OD1-N 2.83Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-E274 PolarHBondContact O-N 3.41Å; K271-S275 VanDerWaalsContact O-CB 3.26Å; K271-S275 WeakPolarHBondContact O-CB 3.32Å; K271-S275 PolarHBondContact O-N 3.39Å; K271-S275 PolarHBondContact O-OG 2.91Å
272	S	74.4	Confident	67.8	Low	60 Å²	60	82 Å²	82	42%	0.42	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-35.2	172.9	-62.5	0	0	0	0	111.8	D269 S275 W276	D269-S272 WeakPolarHBondContact OD2-CB 3.04Å; D269-S272 PolarHBondContact OD2-N 3.07Å; D269-S272 PolarHBondContact OD2-OG 3.05Å; S272-S275 PolarHBondContact O-OG 3.27Å; S272-W276 PolarHBondContact O-N 3.24Å; S272-W276 PolarHBondContact O-NE1 3.48Å
273	F	71.3	Confident	65.9	Low	6 Å²	6	85.4 Å²	85.4	3%	0.026	46%	0.462	C	S	.	.	H	α-helix	trans	-71.7	-48.8	173.3	-172.5	-99.6	0	0	0	111.4	L255 W256 F267 D269 L270 K271 S275 W276 F277 L302	L255-F273 HydrophobicContact CD2-CZ 4.43Å; W256-F273 HydrophobicContact CB-CD1 3.79Å; W256-F273 HydrophobicContact CB-CE1 3.85Å; W256-F273 HydrophobicContact CB-CG 4.4Å; W256-F273 VanDerWaalsContact CD1-CB 3.46Å; W256-F273 AromaticContact CD1-CD1 3.68Å; W256-F273 AromaticContact CD1-CD2 3.88Å; W256-F273 AromaticContact CD1-CG 3.4Å; W256-F273 VanDerWaalsContact CD1-CG 3.4Å; W256-F273 HydrophobicContact CG-CB 4.37Å; W256-F273 HydrophobicContact CG-CD1 4.02Å; W256-F273 HydrophobicContact CG-CE1 4.49Å; W256-F273 HydrophobicContact CG-CG 4.19Å; F267-F273 HydrophobicContact CD1-CD2 4.22Å; F267-F273 HydrophobicContact CD1-CE2 4.43Å; F267-F273 HydrophobicContact CE1-CD2 4.33Å; F267-F273 HydrophobicContact CE1-CE2 4.22Å; D269-F273 PolarHBondContact O-N 3.06Å; L270-F273 PolarHBondContact O-N 3.08Å; K271-F273 VanDerWaalsContact C-N 3.29Å; F273-S275 VanDerWaalsContact C-N 3.28Å; F273-S275 PolarHBondContact O-N 2.99Å; F273-W276 HydrophobicContact CD2-CE3 4.27Å; F273-W276 VanDerWaalsContact O-CB 3.31Å; F273-W276 WeakPolarHBondContact O-CB 3.4Å; F273-W276 PolarHBondContact O-N 3.28Å; F273-F277 HydrophobicContact CD1-CD2 4.22Å; F273-F277 AromaticContact CD1-CE2 3.75Å; F273-F277 HydrophobicContact CD1-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 4.31Å; F273-F277 HydrophobicContact CE1-CD2 4.19Å; F273-F277 AromaticContact CE1-CE2 3.42Å; F273-F277 HydrophobicContact CE1-CE2 3.42Å; F273-F277 VanDerWaalsContact CE1-CE2 3.42Å; F273-F277 HydrophobicContact CE1-CZ 4.08Å; F273-F277 HydrophobicContact CE2-CE2 4.03Å; F273-F277 HydrophobicContact CE2-CZ 4.48Å; F273-F277 HydrophobicContact CG-CE2 4.19Å; F273-F277 AromaticContact CZ-CE2 3.6Å; F273-F277 HydrophobicContact CZ-CE2 3.6Å; F273-F277 AromaticContact CZ-CZ 3.93Å; F273-F277 HydrophobicContact CZ-CZ 3.93Å; F273-F277 WeakPolarHBondContact O-CD2 3.42Å; F273-F277 WeakPolarHBondContact O-CE2 3.35Å; F273-L302 HydrophobicContact CE2-CD2 4.07Å; F273-L302 HydrophobicContact CZ-CD2 3.84Å
274	E	70	Confident	64.6	Low	61 Å²	61	92.6 Å²	92.6	29%	0.285	50%	0.495	S	S	.	.	H	α-helix	trans	-58.8	-37.9	176.5	-78.1	175.7	170.1	0	0	111.1	L270 K271 W276 F277 D278	L270-E274 HydrophobicContact CD1-CG 4Å; L270-E274 HydrophobicContact CG-CG 4.13Å; L270-E274 WeakPolarHBondContact O-CB 3.47Å; L270-E274 WeakPolarHBondContact O-CG 3.45Å; L270-E274 PolarHBondContact O-N 3.25Å; K271-E274 PolarHBondContact O-N 3.41Å; E274-W276 PolarHBondContact O-N 2.93Å; E274-F277 CarbonylContact O-C 3.51Å; E274-F277 VanDerWaalsContact O-CA 3.32Å; E274-F277 WeakPolarHBondContact O-CA 3.17Å; E274-F277 WeakPolarHBondContact O-CB 3.3Å; E274-F277 PolarHBondContact O-N 3.15Å; E274-D278 WeakPolarHBondContact O-CB 3.32Å; E274-D278 PolarHBondContact O-N 3.5Å
275	S	69.1	Low	63.3	Low	56 Å²	56	96.5 Å²	96.5	39%	0.392	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-19.6	176.1	71.7	0	0	0	0	114	K271 S272 F273 F277 I279	K271-S275 VanDerWaalsContact O-CB 3.26Å; K271-S275 WeakPolarHBondContact O-CB 3.32Å; K271-S275 PolarHBondContact O-N 3.39Å; K271-S275 PolarHBondContact O-OG 2.91Å; S272-S275 PolarHBondContact O-OG 3.27Å; F273-S275 VanDerWaalsContact C-N 3.28Å; F273-S275 PolarHBondContact O-N 2.99Å; S275-F277 PolarHBondContact O-N 3.43Å; S275-I279 WeakPolarHBondContact O-CG1 3.49Å
276	W	64.1	Low	62.1	Low	152 Å²	152	94 Å²	94	58%	0.576	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.8	166	-64.1	-2.1	0	0	0	112.1	S272 F273 E274	S272-W276 PolarHBondContact O-N 3.24Å; S272-W276 PolarHBondContact O-NE1 3.48Å; F273-W276 HydrophobicContact CD2-CE3 4.27Å; F273-W276 VanDerWaalsContact O-CB 3.31Å; F273-W276 WeakPolarHBondContact O-CB 3.4Å; F273-W276 PolarHBondContact O-N 3.28Å; E274-W276 PolarHBondContact O-N 2.93Å
277	F	60.4	Low	61	Low	34 Å²	34	91.5 Å²	91.5	15%	0.149	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-38.1	178.5	-60	-88.7	0	0	0	113.6	L252 F273 E274 S275 I279 T280 V298 L302	L252-F277 HydrophobicContact CD1-CB 3.7Å; L252-F277 HydrophobicContact CD1-CD1 3.58Å; L252-F277 HydrophobicContact CD1-CD2 3.95Å; L252-F277 HydrophobicContact CD1-CE1 4.26Å; L252-F277 HydrophobicContact CD1-CG 3.45Å; L252-F277 VanDerWaalsContact CD1-CG 3.45Å; L252-F277 HydrophobicContact CD2-CD1 3.7Å; L252-F277 HydrophobicContact CD2-CD2 4.27Å; L252-F277 HydrophobicContact CD2-CE1 3.48Å; L252-F277 VanDerWaalsContact CD2-CE1 3.48Å; L252-F277 HydrophobicContact CD2-CE2 4.15Å; L252-F277 HydrophobicContact CD2-CG 4.14Å; L252-F277 HydrophobicContact CD2-CZ 3.79Å; L252-F277 HydrophobicContact CG-CD1 4.3Å; L252-F277 HydrophobicContact CG-CG 4.4Å; F273-F277 HydrophobicContact CD1-CD2 4.22Å; F273-F277 AromaticContact CD1-CE2 3.75Å; F273-F277 HydrophobicContact CD1-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 4.31Å; F273-F277 HydrophobicContact CE1-CD2 4.19Å; F273-F277 AromaticContact CE1-CE2 3.42Å; F273-F277 HydrophobicContact CE1-CE2 3.42Å; F273-F277 VanDerWaalsContact CE1-CE2 3.42Å; F273-F277 HydrophobicContact CE1-CZ 4.08Å; F273-F277 HydrophobicContact CE2-CE2 4.03Å; F273-F277 HydrophobicContact CE2-CZ 4.48Å; F273-F277 HydrophobicContact CG-CE2 4.19Å; F273-F277 AromaticContact CZ-CE2 3.6Å; F273-F277 HydrophobicContact CZ-CE2 3.6Å; F273-F277 AromaticContact CZ-CZ 3.93Å; F273-F277 HydrophobicContact CZ-CZ 3.93Å; F273-F277 WeakPolarHBondContact O-CD2 3.42Å; F273-F277 WeakPolarHBondContact O-CE2 3.35Å; E274-F277 CarbonylContact O-C 3.51Å; E274-F277 VanDerWaalsContact O-CA 3.32Å; E274-F277 WeakPolarHBondContact O-CA 3.17Å; E274-F277 WeakPolarHBondContact O-CB 3.3Å; E274-F277 PolarHBondContact O-N 3.15Å; S275-F277 PolarHBondContact O-N 3.43Å; F277-I279 VanDerWaalsContact C-N 3.33Å; F277-I279 PolarHBondContact O-N 3.27Å; F277-T280 PolarHBondContact O-OG1 3.44Å; F277-V298 HydrophobicContact CD1-CG1 3.47Å; F277-V298 VanDerWaalsContact CD1-CG1 3.47Å; F277-V298 HydrophobicContact CE1-CG1 3.22Å; F277-V298 HydrophobicContact CG-CG1 4.39Å; F277-V298 HydrophobicContact CZ-CG1 3.94Å; F277-L302 HydrophobicContact CE1-CD1 3.45Å; F277-L302 VanDerWaalsContact CE1-CD1 3.45Å; F277-L302 HydrophobicContact CE1-CG 4Å; F277-L302 HydrophobicContact CZ-CD1 3.38Å; F277-L302 HydrophobicContact CZ-CD2 3.83Å; F277-L302 HydrophobicContact CZ-CG 3.62Å
278	D	53.4	Low	60.2	Low	101 Å²	101	97 Å²	97	54%	0.54	53%	0.531	S	S	.	.			trans	-82.4	5.3	-167.6	-87.5	-8.5	0	0	0	114.7	E274 T280	E274-D278 WeakPolarHBondContact O-CB 3.32Å; E274-D278 PolarHBondContact O-N 3.5Å; D278-T280 PolarHBondContact O-N 3.5Å
279	I	51.7	Low	59.2	Low	150 Å²	150	97.5 Å²	97.5	77%	0.769	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	38.9	166.8	-46.7	172.1	0	0	0	110	S275 F277	S275-I279 WeakPolarHBondContact O-CG1 3.49Å; F277-I279 VanDerWaalsContact C-N 3.33Å; F277-I279 PolarHBondContact O-N 3.27Å
280	T	49.2	Very low	58.2	Low	79 Å²	79	97.9 Å²	97.9	49%	0.485	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-7.1	-179.8	6.5	0	0	0	0	112.7	F277 D278	F277-T280 PolarHBondContact O-OG1 3.44Å; D278-T280 PolarHBondContact O-N 3.5Å
281	S	48.9	Very low	57.4	Low	107 Å²	107	96.7 Å²	96.7	75%	0.748	53%	0.531	S	S	*	.	S	Bend	trans	-100.8	14.6	-173.3	75.2	0	0	0	0	115.6
282	L	46.8	Very low	56.5	Low	163 Å²	163	95.3 Å²	95.3	85%	0.853	53%	0.525	S	S	*	.	S	Bend	trans	-123.9	8	-168.8	-91	162.7	0	0	0	117.7
283	S	42.8	Very low	55.7	Low	74 Å²	74	97.8 Å²	97.8	52%	0.517	53%	0.53	S	S	.	.			trans	-145.5	85.2	175.9	39.8	0	0	0	0	113.6	T285 E287	S283-T285 PolarHBondContact O-N 3.26Å; S283-T285 VanDerWaalsContact O-N 3.17Å; S283-E287 PolarHBondContact OG-OE2 3.22Å
284	E	51.8	Low	55	Low	191 Å²	191	103.8 Å²	103.8	89%	0.893	55%	0.553	S	S	*	*			trans	-72.6	98.1	163.3	-72.1	-178.8	166.6	0	0	109.3
285	T	49.7	Very low	54.3	Low	129 Å²	129	106.5 Å²	106.5	79%	0.791	57%	0.565	S	S	*	*	S	Bend	trans	165.1	130.7	134.8	37.5	0	0	0	0	110.1	S283 E287	S283-T285 PolarHBondContact O-N 3.26Å; S283-T285 VanDerWaalsContact O-N 3.17Å; T285-E287 PolarHBondContact O-N 3.4Å
286	A	50.7	Low	53.8	Low	104 Å²	104	108.5 Å²	108.5	86%	0.86	57%	0.568	S	S	*	*	S	Bend	trans	73	-0.9	177.5	0	0	0	0	0	119.1
287	E	53.7	Low	53.7	Low	47 Å²	47	105.7 Å²	105.7	22%	0.22	57%	0.565	C	S	.	*			trans	-94.8	9.2	-174.2	-73.3	-166.2	130.7	0	0	116.5	S283 T285 I289 I290 A291 R294	S283-E287 PolarHBondContact OG-OE2 3.22Å; T285-E287 PolarHBondContact O-N 3.4Å; E287-I289 PolarHBondContact O-N 3.01Å; E287-I289 VanDerWaalsContact O-N 3.09Å; E287-I290 HydrophobicContact CB-CB 4.22Å; E287-I290 HydrophobicContact CG-CB 4.29Å; E287-I290 HydrophobicContact CG-CD1 4.14Å; E287-I290 CarbonylContact O-C 3.57Å; E287-I290 PolarHBondContact O-N 3.14Å; E287-A291 WeakPolarHBondContact O-CB 3.18Å; E287-A291 PolarHBondContact O-N 2.9Å; E287-R294 IonicContact OE1-CZ 2.79Å; E287-R294 IonicContact OE1-NH1 3.19Å; E287-R294 PolarHBondContact OE1-NH1 3.31Å; E287-R294 IonicContact OE1-NH2 3.3Å; E287-R294 PolarHBondContact OE1-NH2 2.73Å; E287-R294 IonicContact OE2-NH1 2.94Å
288	D	54.9	Low	53.8	Low	131 Å²	131	106.2 Å²	106.2	70%	0.701	57%	0.571	S	S	*	*	H	α-helix	trans	-59.7	-29.1	-178.1	-85.2	-7.9	0	0	0	114.6	K292	D288-K292 WeakPolarHBondContact O-CB 3.29Å; D288-K292 WeakPolarHBondContact O-CD 3.04Å; D288-K292 VanDerWaalsContact O-CG 3.23Å; D288-K292 WeakPolarHBondContact O-CG 3.24Å; D288-K292 PolarHBondContact O-N 3.4Å
289	I	53.9	Low	54.2	Low	135 Å²	135	104.4 Å²	104.4	69%	0.692	56%	0.561	S	S	*	*	H	α-helix	trans	-78.6	-41.7	174.8	-61.5	171.7	0	0	0	110.1	E287 K292 E293	E287-I289 PolarHBondContact O-N 3.01Å; E287-I289 VanDerWaalsContact O-N 3.09Å; I289-K292 PolarHBondContact O-N 3.07Å; I289-E293 WeakPolarHBondContact O-CB 3.44Å; I289-E293 PolarHBondContact O-N 2.87Å
290	I	56.4	Low	54.6	Low	66 Å²	66	102.5 Å²	102.5	34%	0.338	55%	0.548	S	S	.	.	H	α-helix	trans	-69.6	-37	179.2	-65.7	168.1	0	0	0	110.8	E287 E293 R294	E287-I290 HydrophobicContact CB-CB 4.22Å; E287-I290 HydrophobicContact CG-CB 4.29Å; E287-I290 HydrophobicContact CG-CD1 4.14Å; E287-I290 CarbonylContact O-C 3.57Å; E287-I290 PolarHBondContact O-N 3.14Å; I290-E293 PolarHBondContact O-N 3.44Å; I290-R294 HydrophobicContact CG2-CG 4.23Å; I290-R294 VanDerWaalsContact O-CB 3.23Å; I290-R294 WeakPolarHBondContact O-CB 3.33Å; I290-R294 WeakPolarHBondContact O-CG 3.48Å; I290-R294 PolarHBondContact O-N 2.68Å
291	A	56.8	Low	55.3	Low	25 Å²	25	104 Å²	104	21%	0.207	55%	0.551	C	S	.	*	H	α-helix	trans	-65	-44.9	173.9	0	0	0	0	0	110.1	E287 E293 R294 E295	E287-A291 WeakPolarHBondContact O-CB 3.18Å; E287-A291 PolarHBondContact O-N 2.9Å; A291-E293 VanDerWaalsContact C-N 3.34Å; A291-E293 PolarHBondContact O-N 3.4Å; A291-R294 PolarHBondContact O-N 3.02Å; A291-E295 VanDerWaalsContact O-CB 3.27Å; A291-E295 WeakPolarHBondContact O-CB 3.13Å; A291-E295 VanDerWaalsContact O-CG 3.25Å; A291-E295 WeakPolarHBondContact O-CG 3.42Å; A291-E295 PolarHBondContact O-N 2.7Å
292	K	55.8	Low	56.2	Low	131 Å²	131	99.9 Å²	99.9	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-35.9	173.5	-77.5	173.7	-176.1	169.2	0	113.2	D288 I289 Q296	D288-K292 WeakPolarHBondContact O-CB 3.29Å; D288-K292 WeakPolarHBondContact O-CD 3.04Å; D288-K292 VanDerWaalsContact O-CG 3.23Å; D288-K292 WeakPolarHBondContact O-CG 3.24Å; D288-K292 PolarHBondContact O-N 3.4Å; I289-K292 PolarHBondContact O-N 3.07Å; K292-Q296 WeakPolarHBondContact O-CB 3.24Å; K292-Q296 WeakPolarHBondContact O-CG 3.36Å; K292-Q296 PolarHBondContact O-N 3.12Å; K292-Q296 VanDerWaalsContact O-N 3.13Å
293	E	57.3	Low	56.9	Low	112 Å²	112	95 Å²	95	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-74.7	-39.4	177.6	-166.9	173.7	-177.9	0	0	111.7	I289 I290 A291 Q296 N297	I289-E293 WeakPolarHBondContact O-CB 3.44Å; I289-E293 PolarHBondContact O-N 2.87Å; I290-E293 PolarHBondContact O-N 3.44Å; A291-E293 VanDerWaalsContact C-N 3.34Å; A291-E293 PolarHBondContact O-N 3.4Å; E293-Q296 PolarHBondContact O-N 2.86Å; E293-N297 WeakPolarHBondContact O-CB 3.47Å; E293-N297 VanDerWaalsContact O-CG 3.3Å; E293-N297 PolarHBondContact O-N 2.73Å; E293-N297 PolarHBondContact O-ND2 2.81Å
294	R	57	Low	57.9	Low	131 Å²	131	96.3 Å²	96.3	49%	0.494	49%	0.491	S	S	.	.	H	α-helix	trans	-67.2	-43.8	173.4	-74.5	177.5	-175.3	153.3	7.8	111.6	E287 I290 A291 Q296 N297 V298	E287-R294 IonicContact OE1-CZ 2.79Å; E287-R294 IonicContact OE1-NH1 3.19Å; E287-R294 PolarHBondContact OE1-NH1 3.31Å; E287-R294 IonicContact OE1-NH2 3.3Å; E287-R294 PolarHBondContact OE1-NH2 2.73Å; E287-R294 IonicContact OE2-NH1 2.94Å; I290-R294 HydrophobicContact CG2-CG 4.23Å; I290-R294 VanDerWaalsContact O-CB 3.23Å; I290-R294 WeakPolarHBondContact O-CB 3.33Å; I290-R294 WeakPolarHBondContact O-CG 3.48Å; I290-R294 PolarHBondContact O-N 2.68Å; A291-R294 PolarHBondContact O-N 3.02Å; R294-Q296 VanDerWaalsContact C-N 3.26Å; R294-Q296 PolarHBondContact O-N 2.88Å; R294-N297 PolarHBondContact O-N 2.87Å; R294-N297 VanDerWaalsContact O-N 3.14Å; R294-V298 VanDerWaalsContact O-CG2 3.29Å; R294-V298 WeakPolarHBondContact O-CG2 3.33Å; R294-V298 PolarHBondContact O-N 3.15Å
295	E	57	Low	58.7	Low	119 Å²	119	90 Å²	90	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-57	-41.6	172	-80.4	179.5	-177.8	0	0	111.3	A291 L299	A291-E295 VanDerWaalsContact O-CB 3.27Å; A291-E295 WeakPolarHBondContact O-CB 3.13Å; A291-E295 VanDerWaalsContact O-CG 3.25Å; A291-E295 WeakPolarHBondContact O-CG 3.42Å; A291-E295 PolarHBondContact O-N 2.7Å; E295-L299 WeakPolarHBondContact O-CB 3.3Å; E295-L299 PolarHBondContact O-N 3.43Å
296	Q	57.9	Low	59.7	Low	97 Å²	97	84.3 Å²	84.3	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-40.1	175.4	-76.7	173.4	34.3	0	0	112.5	K292 E293 R294 L299 H300	K292-Q296 WeakPolarHBondContact O-CB 3.24Å; K292-Q296 WeakPolarHBondContact O-CG 3.36Å; K292-Q296 PolarHBondContact O-N 3.12Å; K292-Q296 VanDerWaalsContact O-N 3.13Å; E293-Q296 PolarHBondContact O-N 2.86Å; R294-Q296 VanDerWaalsContact C-N 3.26Å; R294-Q296 PolarHBondContact O-N 2.88Å; Q296-L299 PolarHBondContact O-N 3.5Å; Q296-H300 VanDerWaalsContact O-CB 3.25Å; Q296-H300 WeakPolarHBondContact O-CB 3.3Å; Q296-H300 PolarHBondContact O-N 3.34Å
297	N	61.2	Low	60.6	Low	93 Å²	93	82.8 Å²	82.8	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-41.4	176.9	-75.3	-26.1	0	0	0	112.5	E293 R294 H300 M301	E293-N297 WeakPolarHBondContact O-CB 3.47Å; E293-N297 VanDerWaalsContact O-CG 3.3Å; E293-N297 PolarHBondContact O-N 2.73Å; E293-N297 PolarHBondContact O-ND2 2.81Å; R294-N297 PolarHBondContact O-N 2.87Å; R294-N297 VanDerWaalsContact O-N 3.14Å; N297-H300 PolarHBondContact O-N 3.36Å; N297-M301 WeakPolarHBondContact O-CB 3.39Å; N297-M301 PolarHBondContact O-N 3.03Å
298	V	62.3	Low	61.6	Low	45 Å²	45	83 Å²	83	27%	0.273	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-43.4	175.9	175.9	0	0	0	0	110.4	F277 R294 H300 M301 L302	F277-V298 HydrophobicContact CD1-CG1 3.47Å; F277-V298 VanDerWaalsContact CD1-CG1 3.47Å; F277-V298 HydrophobicContact CE1-CG1 3.22Å; F277-V298 HydrophobicContact CG-CG1 4.39Å; F277-V298 HydrophobicContact CZ-CG1 3.94Å; R294-V298 VanDerWaalsContact O-CG2 3.29Å; R294-V298 WeakPolarHBondContact O-CG2 3.33Å; R294-V298 PolarHBondContact O-N 3.15Å; V298-H300 VanDerWaalsContact C-N 3.33Å; V298-H300 PolarHBondContact O-N 3.33Å; V298-M301 PolarHBondContact O-N 2.79Å; V298-L302 PolarHBondContact O-N 2.89Å
299	L	61.8	Low	62.7	Low	64 Å²	64	78.6 Å²	78.6	34%	0.335	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-42.7	174.4	-175.8	144.5	0	0	0	111	E295 Q296 M301 L302 H303	E295-L299 WeakPolarHBondContact O-CB 3.3Å; E295-L299 PolarHBondContact O-N 3.43Å; Q296-L299 PolarHBondContact O-N 3.5Å; L299-M301 PolarHBondContact O-N 2.97Å; L299-L302 WeakPolarHBondContact O-CB 3.33Å; L299-L302 PolarHBondContact O-N 2.71Å; L299-H303 WeakPolarHBondContact CD2-CD2 3.19Å; L299-H303 WeakPolarHBondContact CD2-NE2 3.46Å; L299-H303 PolarHBondContact O-CD2 3.01Å; L299-H303 PolarHBondContact O-N 3.17Å
300	H	61.5	Low	64.1	Low	110 Å²	110	74 Å²	74	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-41.1	174.2	-178.6	-97.3	0	0	0	112.5	Q296 N297 V298 H303 Q304	Q296-H300 VanDerWaalsContact O-CB 3.25Å; Q296-H300 WeakPolarHBondContact O-CB 3.3Å; Q296-H300 PolarHBondContact O-N 3.34Å; N297-H300 PolarHBondContact O-N 3.36Å; V298-H300 VanDerWaalsContact C-N 3.33Å; V298-H300 PolarHBondContact O-N 3.33Å; H300-H303 PolarHBondContact O-N 2.96Å; H300-Q304 PolarHBondContact CE1-NE2 3.13Å; H300-Q304 WeakPolarHBondContact O-CG 3.38Å; H300-Q304 PolarHBondContact O-N 2.92Å
301	M	64.1	Low	65.3	Low	110 Å²	110	72.2 Å²	72.2	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-43.9	175.4	-169.3	-175.9	-63.1	0	0	111.9	N297 V298 L299 H303 Q304 I305	N297-M301 WeakPolarHBondContact O-CB 3.39Å; N297-M301 PolarHBondContact O-N 3.03Å; V298-M301 PolarHBondContact O-N 2.79Å; L299-M301 PolarHBondContact O-N 2.97Å; M301-H303 VanDerWaalsContact C-N 3.29Å; M301-H303 PolarHBondContact O-N 3.48Å; M301-Q304 WeakPolarHBondContact O-CB 3.35Å; M301-Q304 PolarHBondContact O-N 3.42Å; M301-I305 WeakPolarHBondContact O-CG1 3.39Å; M301-I305 PolarHBondContact O-N 2.87Å; M301-I305 VanDerWaalsContact O-N 3.07Å
302	L	66	Low	66.5	Low	20 Å²	20	74.5 Å²	74.5	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-56.5	-44.9	171.5	-87.8	-177.7	0	0	0	111.6	L252 L255 F273 F277 V298 L299 Q304 I305 L306	L252-L302 HydrophobicContact CD2-CD1 4.24Å; L255-L302 HydrophobicContact CD2-CD1 3.83Å; L255-L302 HydrophobicContact CD2-CD2 4.12Å; F273-L302 HydrophobicContact CE2-CD2 4.07Å; F273-L302 HydrophobicContact CZ-CD2 3.84Å; F277-L302 HydrophobicContact CE1-CD1 3.45Å; F277-L302 VanDerWaalsContact CE1-CD1 3.45Å; F277-L302 HydrophobicContact CE1-CG 4Å; F277-L302 HydrophobicContact CZ-CD1 3.38Å; F277-L302 HydrophobicContact CZ-CD2 3.83Å; F277-L302 HydrophobicContact CZ-CG 3.62Å; V298-L302 PolarHBondContact O-N 2.89Å; L299-L302 WeakPolarHBondContact O-CB 3.33Å; L299-L302 PolarHBondContact O-N 2.71Å; L302-Q304 PolarHBondContact O-N 3.39Å; L302-I305 PolarHBondContact O-N 3.48Å; L302-L306 WeakPolarHBondContact O-CB 3.4Å; L302-L306 VanDerWaalsContact O-CG 3.27Å; L302-L306 WeakPolarHBondContact O-CG 3.03Å; L302-L306 PolarHBondContact O-N 2.89Å
303	H	61.7	Low	67.7	Low	60 Å²	60	69.2 Å²	69.2	28%	0.278	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.6	-73.5	-57.5	0	0	0	111.5	L299 H300 M301 I305 L306 T307 N612	L299-H303 WeakPolarHBondContact CD2-CD2 3.19Å; L299-H303 WeakPolarHBondContact CD2-NE2 3.46Å; L299-H303 PolarHBondContact O-CD2 3.01Å; L299-H303 PolarHBondContact O-N 3.17Å; H300-H303 PolarHBondContact O-N 2.96Å; M301-H303 VanDerWaalsContact C-N 3.29Å; M301-H303 PolarHBondContact O-N 3.48Å; H303-I305 PolarHBondContact O-N 3.35Å; H303-L306 PolarHBondContact O-N 2.95Å; H303-L306 VanDerWaalsContact O-N 3.1Å; H303-T307 WeakPolarHBondContact O-CB 3.31Å; H303-T307 PolarHBondContact O-N 3.29Å; H303-T307 PolarHBondContact O-OG1 3.05Å; H303-N612 PolarHBondContact NE2-OD1 3.13Å
304	Q	65.5	Low	68.6	Low	103 Å²	103	65.2 Å²	65.2	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-57.3	-39.7	175	-72.1	-174.2	-14.3	0	0	112.4	H300 M301 L302 P308	H300-Q304 PolarHBondContact CE1-NE2 3.13Å; H300-Q304 WeakPolarHBondContact O-CG 3.38Å; H300-Q304 PolarHBondContact O-N 2.92Å; M301-Q304 WeakPolarHBondContact O-CB 3.35Å; M301-Q304 PolarHBondContact O-N 3.42Å; L302-Q304 PolarHBondContact O-N 3.39Å; Q304-P308 WeakPolarHBondContact O-CD 3.43Å
305	I	68.2	Low	69.5	Low	57 Å²	57	59.9 Å²	59.9	29%	0.292	30%	0.298	S	S	.	.	H	α-helix	trans	-69.5	-40.9	176.1	-63.8	167.7	0	0	0	111.1	F267 M301 L302 H303 P308 F309	F267-I305 HydrophobicContact CZ-CG2 4.31Å; M301-I305 WeakPolarHBondContact O-CG1 3.39Å; M301-I305 PolarHBondContact O-N 2.87Å; M301-I305 VanDerWaalsContact O-N 3.07Å; L302-I305 PolarHBondContact O-N 3.48Å; H303-I305 PolarHBondContact O-N 3.35Å; I305-P308 VanDerWaalsContact O-CD 3.31Å; I305-P308 WeakPolarHBondContact O-CD 3.38Å; I305-P308 WeakPolarHBondContact O-CG 3.4Å; I305-F309 WeakPolarHBondContact O-CD2 3.43Å; I305-F309 WeakPolarHBondContact O-CE2 3.33Å
306	L	69.5	Low	70	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-80.8	-32.2	-174.2	-73.2	169.5	0	0	0	114.7	L255 L259 L302 H303 P308 F309 L310	L255-L306 HydrophobicContact CD1-CD1 3.88Å; L255-L306 HydrophobicContact CD1-CD2 4.24Å; L255-L306 HydrophobicContact CD2-CD1 4.13Å; L259-L306 HydrophobicContact CD1-CD2 4.12Å; L259-L306 HydrophobicContact CD2-CD2 3.66Å; L259-L306 HydrophobicContact CG-CD2 4.19Å; L302-L306 WeakPolarHBondContact O-CB 3.4Å; L302-L306 VanDerWaalsContact O-CG 3.27Å; L302-L306 WeakPolarHBondContact O-CG 3.03Å; L302-L306 PolarHBondContact O-N 2.89Å; H303-L306 PolarHBondContact O-N 2.95Å; H303-L306 VanDerWaalsContact O-N 3.1Å; L306-P308 VanDerWaalsContact C-N 3.31Å; L306-F309 CarbonylContact O-C 3.57Å; L306-F309 PolarHBondContact O-N 3.43Å; L306-L310 WeakPolarHBondContact O-CB 3.33Å; L306-L310 PolarHBondContact O-N 2.76Å
307	T	69.7	Low	70.5	Confident	71 Å²	71	57.7 Å²	57.7	44%	0.436	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.3	-174	-47.7	0	0	0	0	113.9	K46 H303	K46-T307 PolarHBondContact NZ-O 3.06Å; H303-T307 WeakPolarHBondContact O-CB 3.31Å; H303-T307 PolarHBondContact O-N 3.29Å; H303-T307 PolarHBondContact O-OG1 3.05Å
308	P	76.2	Confident	70.7	Confident	51 Å²	51	53.5 Å²	53.5	33%	0.331	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.6	173.2	25.6	-33.7	0	0	0	113.7	Q304 I305 L306	Q304-P308 WeakPolarHBondContact O-CD 3.43Å; I305-P308 VanDerWaalsContact O-CD 3.31Å; I305-P308 WeakPolarHBondContact O-CD 3.38Å; I305-P308 WeakPolarHBondContact O-CG 3.4Å; L306-P308 VanDerWaalsContact C-N 3.31Å
309	F	78.1	Confident	70.6	Confident	39 Å²	39	55.6 Å²	55.6	17%	0.171	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-12.1	-175.4	-50.3	-72.5	0	0	0	113.8	W95 I104 I107 L263 I305 L306	W95-F309 WeakPolarHBondContact CH2-O 3.45Å; I104-F309 HydrophobicContact CG2-CD1 3.42Å; I104-F309 VanDerWaalsContact CG2-CD1 3.42Å; I104-F309 HydrophobicContact CG2-CE1 3.32Å; I107-F309 PolarHBondContact N-O 3.29Å; L263-F309 HydrophobicContact CD1-CE1 4.11Å; L263-F309 HydrophobicContact CD1-CZ 4.13Å; I305-F309 WeakPolarHBondContact O-CD2 3.43Å; I305-F309 WeakPolarHBondContact O-CE2 3.33Å; L306-F309 CarbonylContact O-C 3.57Å; L306-F309 PolarHBondContact O-N 3.43Å
310	L	81.7	Confident	70.5	Confident	40 Å²	40	53.7 Å²	53.7	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.5	-175.3	-174.8	142.2	0	0	0	111.7	I107 A109 L248 L306 R312	I107-L310 HydrophobicContact CB-CD1 4.42Å; I107-L310 HydrophobicContact CB-CG 4.49Å; I107-L310 HydrophobicContact CG2-CD1 4.23Å; I107-L310 WeakPolarHBondContact O-CA 3.43Å; A109-L310 HydrophobicContact CB-CD1 4.11Å; A109-L310 HydrophobicContact CB-CD2 4.33Å; A109-L310 HydrophobicContact CB-CG 4.07Å; L248-L310 HydrophobicContact CD1-CD1 3.4Å; L248-L310 VanDerWaalsContact CD1-CD1 3.4Å; L248-L310 HydrophobicContact CG-CD1 4.39Å; L306-L310 WeakPolarHBondContact O-CB 3.33Å; L306-L310 PolarHBondContact O-N 2.76Å; L310-R312 HydrophobicContact CD2-CB 3.83Å
311	L	83.4	Confident	70.5	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.6	169.3	-177.2	65.7	0	0	0	109.7	W95 I107 L108 A109 D110	W95-L311 HydrophobicContact CB-CD2 4.18Å; W95-L311 HydrophobicContact CD2-CB 3.82Å; W95-L311 HydrophobicContact CD2-CD2 3.95Å; W95-L311 HydrophobicContact CD2-CG 4.42Å; W95-L311 HydrophobicContact CE3-CB 3.72Å; W95-L311 HydrophobicContact CE3-CD2 3.8Å; W95-L311 HydrophobicContact CE3-CG 4.4Å; W95-L311 HydrophobicContact CG-CD2 4.12Å; W95-L311 HydrophobicContact CH2-CB 3.77Å; W95-L311 HydrophobicContact CZ2-CB 3.87Å; W95-L311 HydrophobicContact CZ3-CB 3.7Å; W95-L311 HydrophobicContact CZ3-CD2 4.49Å; I107-L311 PolarHBondContact O-N 2.86Å; L108-L311 HydrophobicContact CD1-CB 4.22Å; L108-L311 HydrophobicContact CD1-CD2 3.9Å; L108-L311 HydrophobicContact CD1-CG 4.31Å; A109-L311 CarbonylContact C-O 3.59Å; A109-L311 WeakPolarHBondContact CA-O 3.43Å; A109-L311 PolarHBondContact N-O 2.77Å; D110-L311 PolarHBondContact N-O 2.94Å
312	R	81.3	Confident	70.6	Confident	72 Å²	72	53.8 Å²	53.8	27%	0.272	29%	0.291	S	S	.	.			trans	-141	128.3	178.6	175.5	172.9	-177.9	98.9	-4.1	110.7	A109 P247 L310	A109-R312 HydrophobicContact CB-CB 4.11Å; A109-R312 WeakPolarHBondContact O-CG 3.49Å; A109-R312 PolarHBondContact O-NH1 2.93Å; P247-R312 VanDerWaalsContact CA-NH1 3.28Å; P247-R312 VanDerWaalsContact N-NH1 3.2Å; L310-R312 HydrophobicContact CD2-CB 3.83Å
313	R	81.3	Confident	71.1	Confident	21 Å²	21	53.4 Å²	53.4	8%	0.079	29%	0.289	C	S	.	.			trans	-131.4	149.7	173.1	-65.4	166	-71.7	-162.7	6.8	110.8	Y88 E91 D110 E111 L114 V318	Y88-R313 VanDerWaalsContact O-CZ 3.32Å; Y88-R313 PolarHBondContact O-NH1 3.31Å; Y88-R313 PolarHBondContact O-NH2 3.22Å; E91-R313 IonicContact OE2-NH1 2.81Å; E91-R313 PolarHBondContact OE2-NH1 3.13Å; D110-R313 WeakPolarHBondContact OD1-CB 3.17Å; D110-R313 IonicContact OD1-CZ 3.66Å; D110-R313 PolarHBondContact OD1-N 3.48Å; D110-R313 IonicContact OD1-NE 3.98Å; D110-R313 PolarHBondContact OD1-NE 3.48Å; D110-R313 IonicContact OD1-NH2 2.69Å; D110-R313 IonicContact OD2-CZ 3.96Å; D110-R313 IonicContact OD2-NE 3.5Å; D110-R313 PolarHBondContact OD2-NE 2.88Å; D110-R313 IonicContact OD2-NH2 3.18Å; D110-R313 PolarHBondContact OD2-NH2 3.19Å; E111-R313 WeakPolarHBondContact CB-O 3.47Å; E111-R313 PolarHBondContact N-O 3.22Å; L114-R313 HydrophobicContact CD1-CB 3.99Å; L114-R313 VanDerWaalsContact CD1-O 3.28Å; L114-R313 WeakPolarHBondContact CD1-O 3.38Å; R313-V318 HydrophobicContact CB-CG2 4.24Å
314	L	75.6	Confident	72	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.141	29%	0.286	C	S	.	.			trans	-98	158.6	174.1	-56.2	177.1	0	0	0	111.4	E111 S316 D317 V318	E111-L314 VanDerWaalsContact OE2-CA 3.3Å; E111-L314 WeakPolarHBondContact OE2-CA 3.46Å; L314-S316 WeakPolarHBondContact CB-OG 3.2Å; L314-S316 PolarHBondContact O-N 2.93Å; L314-D317 WeakPolarHBondContact CB-OD2 3.32Å; L314-D317 PolarHBondContact N-OD2 3.49Å; L314-D317 PolarHBondContact O-N 2.85Å; L314-V318 WeakPolarHBondContact O-CG2 3.29Å; L314-V318 PolarHBondContact O-N 2.68Å
315	K	75	Confident	72.9	Confident	19 Å²	19	50.5 Å²	50.5	8%	0.083	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-35.9	174.1	-70.1	174.9	-168.7	168.8	0	111.9	E111 M112 L114 V318 D568 H571	E111-K315 HydrophobicContact CG-CG 4.4Å; E111-K315 WeakPolarHBondContact OE1-CD 3.06Å; E111-K315 WeakPolarHBondContact OE1-CE 3.43Å; E111-K315 IonicContact OE1-NZ 3.42Å; E111-K315 PolarHBondContact OE2-N 3.5Å; M112-K315 WeakPolarHBondContact O-CE 3.4Å; L114-K315 HydrophobicContact CD2-CG 4.28Å; K315-V318 PolarHBondContact O-N 2.82Å; K315-D568 IonicContact NZ-OD1 3.93Å; K315-D568 PolarHBondContact NZ-OD1 3.06Å; K315-H571 PolarHBondContact NZ-ND1 3.26Å; K315-H571 PolarHBondContact NZ-O 3.29Å
316	S	68.6	Low	73.7	Confident	88 Å²	88	47.8 Å²	47.8	62%	0.615	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-41.9	175.4	50.5	0	0	0	0	112.4	L314 V318 A319	L314-S316 WeakPolarHBondContact CB-OG 3.2Å; L314-S316 PolarHBondContact O-N 2.93Å; S316-V318 PolarHBondContact O-N 2.94Å; S316-A319 PolarHBondContact O-N 2.76Å
317	D	67.2	Low	74.5	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.444	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.7	-176	-52.4	-21.7	0	0	0	112	L314	L314-D317 WeakPolarHBondContact CB-OD2 3.32Å; L314-D317 PolarHBondContact N-OD2 3.49Å; L314-D317 PolarHBondContact O-N 2.85Å
318	V	66.1	Low	75.3	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.024	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.8	-173	-175.3	0	0	0	0	111.9	W87 Y88 L114 R313 L314 K315 S316 L320	W87-V318 HydrophobicContact CZ2-CB 4.45Å; W87-V318 HydrophobicContact CZ2-CG1 4.07Å; Y88-V318 HydrophobicContact CD1-CB 4.43Å; Y88-V318 HydrophobicContact CD1-CG1 3.01Å; Y88-V318 HydrophobicContact CD2-CG1 4.02Å; Y88-V318 HydrophobicContact CD2-CG2 4.42Å; Y88-V318 HydrophobicContact CE1-CG1 3.26Å; Y88-V318 HydrophobicContact CE2-CG1 4.23Å; Y88-V318 HydrophobicContact CG-CG1 3.42Å; Y88-V318 VanDerWaalsContact CG-CG1 3.42Å; Y88-V318 HydrophobicContact CG-CG2 4.23Å; L114-V318 HydrophobicContact CD1-CG2 4.42Å; L114-V318 HydrophobicContact CD2-CB 4.43Å; L114-V318 HydrophobicContact CD2-CG2 4.21Å; R313-V318 HydrophobicContact CB-CG2 4.24Å; L314-V318 WeakPolarHBondContact O-CG2 3.29Å; L314-V318 PolarHBondContact O-N 2.68Å; K315-V318 PolarHBondContact O-N 2.82Å; S316-V318 PolarHBondContact O-N 2.94Å; V318-L320 HydrophobicContact CB-CD1 4.1Å; V318-L320 HydrophobicContact CB-CG 3.94Å; V318-L320 HydrophobicContact CG1-CD1 3.98Å; V318-L320 HydrophobicContact CG1-CD2 3.84Å; V318-L320 HydrophobicContact CG1-CG 3.65Å; V318-L320 PolarHBondContact O-N 2.62Å; V318-L320 VanDerWaalsContact O-N 3.16Å
319	A	59.5	Low	75.8	Confident	90 Å²	90	42.5 Å²	42.5	74%	0.744	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	43.2	-178.6	0	0	0	0	0	112.2	S316	S316-A319 PolarHBondContact O-N 2.76Å
320	L	59.6	Low	76.3	Confident	23 Å²	23	40.6 Å²	40.6	12%	0.12	22%	0.221	C	C	.	.			trans	-72.6	133	175.8	-64.7	166	0	0	0	108	Y88 L114 V318 V322 I573	Y88-L320 HydrophobicContact CE1-CD2 3.83Å; L114-L320 HydrophobicContact CD2-CD1 3.3Å; V318-L320 HydrophobicContact CB-CD1 4.1Å; V318-L320 HydrophobicContact CB-CG 3.94Å; V318-L320 HydrophobicContact CG1-CD1 3.98Å; V318-L320 HydrophobicContact CG1-CD2 3.84Å; V318-L320 HydrophobicContact CG1-CG 3.65Å; V318-L320 PolarHBondContact O-N 2.62Å; V318-L320 VanDerWaalsContact O-N 3.16Å; L320-V322 HydrophobicContact CB-CG2 3.79Å; L320-V322 PolarHBondContact O-N 3.46Å; L320-I573 HydrophobicContact CD1-CD1 3.87Å; L320-I573 HydrophobicContact CD1-CG1 4.15Å; L320-I573 HydrophobicContact CD2-CD1 4Å; L320-I573 HydrophobicContact CD2-CG1 4.5Å
321	E	61.8	Low	76.5	Confident	195 Å²	195	39.9 Å²	39.9	91%	0.911	22%	0.216	S	C	*	.			trans	-64	64.3	165	-64.2	176.2	173.9	0	0	110
322	V	67.1	Low	76.6	Confident	28 Å²	28	38.6 Å²	38.6	17%	0.17	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-96.2	123.3	166.7	-169.3	0	0	0	0	106.1	L320 H571	L320-V322 HydrophobicContact CB-CG2 3.79Å; L320-V322 PolarHBondContact O-N 3.46Å; V322-H571 VanDerWaalsContact CG1-NE2 3.31Å; V322-H571 WeakPolarHBondContact CG1-NE2 3.47Å
323	P	76.2	Confident	76.8	Confident	11 Å²	11	36.6 Å²	36.6	7%	0.071	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-52.3	151.2	177.6	-28.9	36	0	0	0	112.3	H571 Q575 M672	P323-H571 PolarHBondContact O-NE2 2.89Å; P323-Q575 WeakPolarHBondContact CD-O 3.37Å; P323-Q575 HydrophobicContact CG-CG 4.25Å; P323-M672 HydrophobicContact CB-SD 4.27Å; P323-M672 HydrophobicContact CG-SD 4.4Å
324	P	80.4	Confident	77.1	Confident	33 Å²	33	37.2 Å²	37.2	21%	0.214	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59.7	150.4	177.4	26.2	-33.9	0	0	0	110.6	V579 L668 Q671	P324-V579 PolarHBondContact O-N 3.44Å; P324-L668 HydrophobicContact CB-CD2 4.13Å; P324-L668 HydrophobicContact CG-CB 4.41Å; P324-L668 HydrophobicContact CG-CD2 4.2Å; P324-Q671 HydrophobicContact CG-CB 4.48Å
325	K	84.9	Confident	77.7	Confident	69 Å²	69	36.5 Å²	36.5	30%	0.3	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.3	174.2	69.4	176.3	177.7	-174.5	0	110.7	V579	K325-V579 VanDerWaalsContact CA-O 3.24Å; K325-V579 WeakPolarHBondContact CA-O 3.38Å; K325-V579 HydrophobicContact CB-CB 4.41Å
326	R	85.1	Confident	78.3	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.6	174.8	-176.2	167.5	73.8	-158.1	-1	110.7	V328 V579 V581 E643 D664 D667 L668	R326-V328 HydrophobicContact CG-CG2 3.95Å; R326-V579 PolarHBondContact N-O 3Å; R326-V581 PolarHBondContact O-N 2.89Å; R326-E643 VanDerWaalsContact CD-OE2 3.25Å; R326-E643 WeakPolarHBondContact CD-OE2 3.37Å; R326-E643 WeakPolarHBondContact CG-OE2 3.49Å; R326-D664 PolarHBondContact NH1-O 2.88Å; R326-D664 PolarHBondContact NH2-O 3.06Å; R326-D667 IonicContact CZ-OD1 3.87Å; R326-D667 IonicContact NH1-OD1 3.64Å; R326-D667 PolarHBondContact NH1-OD1 3.44Å; R326-D667 IonicContact NH1-OD2 3.05Å; R326-D667 PolarHBondContact NH1-OD2 3.07Å; R326-L668 HydrophobicContact CB-CD1 3.9Å; R326-L668 HydrophobicContact CB-CD2 4.17Å
327	E	85.8	Confident	79.1	Confident	19 Å²	19	42.6 Å²	42.6	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.3	173.6	-170.4	170.2	-171.5	0	0	109.5	V581 R583 R602 Y642	E327-V581 WeakPolarHBondContact CA-O 3.47Å; E327-V581 HydrophobicContact CG-CB 4.44Å; E327-R583 IonicContact OE1-CZ 2.74Å; E327-R583 IonicContact OE1-NE 3.58Å; E327-R583 PolarHBondContact OE1-NE 2.94Å; E327-R583 IonicContact OE1-NH2 3.98Å; E327-R583 PolarHBondContact OE1-NH2 3.06Å; E327-R602 IonicContact OE2-CZ 3.46Å; E327-R602 IonicContact OE2-NH1 2.83Å; E327-R602 PolarHBondContact OE2-NH1 2.78Å; E327-Y642 HydrophobicContact CG-CD1 4.34Å; E327-Y642 HydrophobicContact CG-CE1 4.46Å
328	V	86.8	Confident	80.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.8	-178.8	-176.7	0	0	0	0	109.4	R326 V330 V580 V581 Y582 R583	R326-V328 HydrophobicContact CG-CG2 3.95Å; V328-V330 HydrophobicContact CG1-CG2 4.29Å; V328-V580 HydrophobicContact CG2-CG1 4.49Å; V328-V581 PolarHBondContact N-O 2.79Å; V328-Y582 HydrophobicContact CB-CD1 4.02Å; V328-Y582 HydrophobicContact CB-CE1 4.3Å; V328-Y582 HydrophobicContact CG1-CD1 4.4Å; V328-Y582 HydrophobicContact CG2-CE1 4.44Å; V328-Y582 CarbonylContact O-C 3.53Å; V328-Y582 WeakPolarHBondContact O-CA 3.22Å; V328-R583 PolarHBondContact O-N 2.92Å
329	V	86.9	Confident	81.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.7	172.5	175.6	0	0	0	0	109.3	Y331 R583 V585 Y642	V329-Y331 HydrophobicContact CG1-CD2 4.13Å; V329-Y331 HydrophobicContact CG1-CE1 4.38Å; V329-Y331 HydrophobicContact CG1-CE2 3.72Å; V329-R583 WeakPolarHBondContact CA-O 3.48Å; V329-R583 HydrophobicContact CG2-CB 4.2Å; V329-V585 HydrophobicContact CG1-CB 4.23Å; V329-V585 HydrophobicContact CG1-CG2 3.74Å; V329-Y642 HydrophobicContact CB-CD1 4.33Å; V329-Y642 HydrophobicContact CB-CG 4.28Å; V329-Y642 HydrophobicContact CG2-CD1 3.19Å; V329-Y642 HydrophobicContact CG2-CD2 3.83Å; V329-Y642 HydrophobicContact CG2-CE1 3.19Å; V329-Y642 HydrophobicContact CG2-CE2 3.84Å; V329-Y642 HydrophobicContact CG2-CG 3.5Å
330	V	87.4	Confident	82.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.1	179.6	-169.7	0	0	0	0	108.5	V328 I465 Y582 R583 L584 V585 I654 L662	V328-V330 HydrophobicContact CG1-CG2 4.29Å; V330-I465 HydrophobicContact CG1-CD1 4.09Å; V330-I465 HydrophobicContact CG1-CG2 3.95Å; V330-Y582 HydrophobicContact CG2-CD1 4.14Å; V330-R583 PolarHBondContact N-O 3.41Å; V330-L584 HydrophobicContact CB-CD2 3.9Å; V330-L584 HydrophobicContact CG1-CD2 4.38Å; V330-L584 HydrophobicContact CG2-CD2 4.42Å; V330-V585 PolarHBondContact O-N 2.94Å; V330-I654 HydrophobicContact CG1-CD1 4.1Å; V330-L662 HydrophobicContact CG1-CD1 4.37Å; V330-L662 HydrophobicContact CG2-CD1 3.77Å
331	Y	87	Confident	83.9	Confident	24 Å²	24	42.9 Å²	42.9	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.5	179.5	-71.7	-83.5	0	0	0	111.4	V329 V585 A587 Q592 E645 I646 K647 G648	V329-Y331 HydrophobicContact CG1-CD2 4.13Å; V329-Y331 HydrophobicContact CG1-CE1 4.38Å; V329-Y331 HydrophobicContact CG1-CE2 3.72Å; Y331-V585 CarbonylContact C-O 3.43Å; Y331-V585 VanDerWaalsContact CA-O 3.25Å; Y331-V585 WeakPolarHBondContact CA-O 3.26Å; Y331-V585 HydrophobicContact CD1-CB 4.11Å; Y331-V585 HydrophobicContact CD1-CG1 4.08Å; Y331-V585 HydrophobicContact CE1-CB 4.19Å; Y331-V585 HydrophobicContact CE1-CG1 3.9Å; Y331-A587 HydrophobicContact CD1-CB 4.24Å; Y331-Q592 HydrophobicContact CE1-CG 4.48Å; Y331-E645 HydrophobicContact CE2-CB 4.33Å; Y331-E645 HydrophobicContact CE2-CG 4.24Å; Y331-I646 WeakPolarHBondContact CB-O 3.44Å; Y331-I646 PolarHBondContact N-O 2.86Å; Y331-K647 HydrophobicContact CD2-CG 4.27Å; Y331-G648 PolarHBondContact O-N 3.01Å
332	A	86	Confident	85.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135	174.4	0	0	0	0	0	111.6	K462 I465 V585 T586 A587	A332-K462 HydrophobicContact CB-CG 3.92Å; A332-I465 VanDerWaalsContact CA-CD1 3.5Å; A332-I465 HydrophobicContact CB-CD1 3.6Å; A332-V585 PolarHBondContact N-O 3.2Å; A332-T586 HydrophobicContact CB-CG2 4.21Å; A332-T586 WeakPolarHBondContact O-CA 3.34Å; A332-A587 PolarHBondContact O-N 2.86Å
333	P	85.7	Confident	86.2	Confident	30 Å²	30	37.6 Å²	37.6	20%	0.195	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-69	160.9	164.8	30.9	-32.9	0	0	0	110.4	G461	P333-G461 WeakPolarHBondContact O-CA 3.41Å
334	L	86.1	Confident	86.7	Confident	34 Å²	34	37.3 Å²	37.3	18%	0.178	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-82.3	143.8	167.8	-71.9	167.7	0	0	0	109.5	Q338 E339 T586 T589	L334-Q338 HydrophobicContact CB-CB 4.24Å; L334-Q338 HydrophobicContact CD2-CB 3.84Å; L334-E339 HydrophobicContact CB-CG 3.61Å; L334-E339 HydrophobicContact CD1-CG 4.17Å; L334-T586 HydrophobicContact CD2-CG2 4.19Å; L334-T589 HydrophobicContact CD1-CG2 3.68Å; L334-T589 HydrophobicContact CD2-CG2 4.06Å; L334-T589 HydrophobicContact CG-CG2 4.03Å
335	S	88.3	Confident	86.9	Confident	13 Å²	13	36 Å²	36	9%	0.091	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-73.9	163.6	168.1	79.5	0	0	0	0	110.9	K337 Q338 E339 N459	S335-K337 VanDerWaalsContact C-N 3.31Å; S335-K337 PolarHBondContact O-N 2.95Å; S335-Q338 CarbonylContact O-C 3.47Å; S335-Q338 WeakPolarHBondContact O-CB 3.48Å; S335-Q338 PolarHBondContact O-N 3.18Å; S335-Q338 VanDerWaalsContact O-N 3.1Å; S335-Q338 WeakPolarHBondContact OG-CB 3.39Å; S335-Q338 VanDerWaalsContact OG-CG 3.29Å; S335-Q338 WeakPolarHBondContact OG-CG 3.31Å; S335-Q338 PolarHBondContact OG-N 3.32Å; S335-Q338 VanDerWaalsContact OG-N 3.08Å; S335-Q338 PolarHBondContact OG-OE1 2.95Å; S335-E339 WeakPolarHBondContact O-CG 3.25Å; S335-E339 PolarHBondContact O-N 2.99Å; S335-N459 VanDerWaalsContact CB-O 3.27Å; S335-N459 WeakPolarHBondContact CB-O 3.24Å; S335-N459 PolarHBondContact OG-O 3.49Å
336	K	87.9	Confident	86.9	Confident	180 Å²	180	36.5 Å²	36.5	78%	0.783	18%	0.183	S	C	*	.	H	α-helix	trans	-55.7	-44.5	176.2	-65	-178.3	-178.7	177.5	0	112.2	E339 I340	K336-E339 PolarHBondContact O-N 3.07Å; K336-I340 VanDerWaalsContact O-CG1 3.29Å; K336-I340 WeakPolarHBondContact O-CG1 2.96Å; K336-I340 PolarHBondContact O-N 2.77Å; K336-I340 VanDerWaalsContact O-N 3.13Å
337	K	86.6	Confident	86.9	Confident	54 Å²	54	41.5 Å²	41.5	24%	0.235	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-40.6	177.7	-169.3	169.5	-177.6	173.2	0	111.3	S335 I340 F341 P436 E440	S335-K337 VanDerWaalsContact C-N 3.31Å; S335-K337 PolarHBondContact O-N 2.95Å; K337-I340 PolarHBondContact O-N 2.96Å; K337-F341 HydrophobicContact CD-CE2 4.4Å; K337-F341 HydrophobicContact CG-CD2 4.36Å; K337-F341 HydrophobicContact CG-CE2 4.05Å; K337-F341 HydrophobicContact CG-CZ 4.35Å; K337-F341 PolarHBondContact O-N 3.48Å; K337-F341 VanDerWaalsContact O-N 3.11Å; K337-P436 HydrophobicContact CD-CB 4.25Å; K337-P436 HydrophobicContact CG-CB 4.33Å; K337-P436 HydrophobicContact CG-CG 4.48Å; K337-E440 WeakPolarHBondContact CE-OE2 3.32Å; K337-E440 IonicContact NZ-OE2 2.95Å; K337-E440 PolarHBondContact NZ-OE2 3.39Å
338	Q	89.3	Confident	86.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-41.1	174.7	-71.9	177.7	-56.8	0	0	112.4	L334 S335 F341 Y342 C432 C433 P436 S460	L334-Q338 HydrophobicContact CB-CB 4.24Å; L334-Q338 HydrophobicContact CD2-CB 3.84Å; S335-Q338 CarbonylContact O-C 3.47Å; S335-Q338 WeakPolarHBondContact O-CB 3.48Å; S335-Q338 PolarHBondContact O-N 3.18Å; S335-Q338 VanDerWaalsContact O-N 3.1Å; S335-Q338 WeakPolarHBondContact OG-CB 3.39Å; S335-Q338 VanDerWaalsContact OG-CG 3.29Å; S335-Q338 WeakPolarHBondContact OG-CG 3.31Å; S335-Q338 PolarHBondContact OG-N 3.32Å; S335-Q338 VanDerWaalsContact OG-N 3.08Å; S335-Q338 PolarHBondContact OG-OE1 2.95Å; Q338-F341 PolarHBondContact O-N 2.79Å; Q338-Y342 WeakPolarHBondContact O-CB 3.42Å; Q338-Y342 PolarHBondContact O-N 2.93Å; Q338-C432 PolarHBondContact NE2-O 2.99Å; Q338-C432 PolarHBondContact O-SG 3.31Å; Q338-C432 VanDerWaalsContact O-SG 3.39Å; Q338-C433 PolarHBondContact NE2-O 3.25Å; Q338-P436 HydrophobicContact CG-CG 3.47Å; Q338-P436 VanDerWaalsContact CG-CG 3.47Å; Q338-S460 PolarHBondContact NE2-OG 3.33Å
339	E	88.9	Confident	86.1	Confident	100 Å²	100	52 Å²	52	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-41	178.4	-73	-176	166.1	0	0	112.3	L334 S335 K336 T343	L334-E339 HydrophobicContact CB-CG 3.61Å; L334-E339 HydrophobicContact CD1-CG 4.17Å; S335-E339 WeakPolarHBondContact O-CG 3.25Å; S335-E339 PolarHBondContact O-N 2.99Å; K336-E339 PolarHBondContact O-N 3.07Å; E339-T343 VanDerWaalsContact O-CB 3.3Å; E339-T343 WeakPolarHBondContact O-CB 3.38Å; E339-T343 PolarHBondContact O-N 3.32Å; E339-T343 PolarHBondContact O-OG1 3.1Å
340	I	88.7	Confident	85.2	Confident	92 Å²	92	52.1 Å²	52.1	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-61.5	-53.2	176.4	-67.3	166	0	0	0	109.8	K336 K337 Y342 T343 A344 M353	K336-I340 VanDerWaalsContact O-CG1 3.29Å; K336-I340 WeakPolarHBondContact O-CG1 2.96Å; K336-I340 PolarHBondContact O-N 2.77Å; K336-I340 VanDerWaalsContact O-N 3.13Å; K337-I340 PolarHBondContact O-N 2.96Å; I340-Y342 PolarHBondContact O-N 3.05Å; I340-T343 PolarHBondContact O-N 2.93Å; I340-A344 VanDerWaalsContact O-CB 3.29Å; I340-A344 WeakPolarHBondContact O-CB 3.21Å; I340-A344 PolarHBondContact O-N 3.05Å; I340-M353 HydrophobicContact CG2-CE 3.59Å; I340-M353 HydrophobicContact CG2-SD 4.02Å
341	F	86.2	Confident	84.1	Confident	14 Å²	14	53 Å²	53	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-41.5	178.9	-72.7	-15.5	0	0	0	112.6	K337 Q338 A344 I345 F354 P436 E440	K337-F341 HydrophobicContact CD-CE2 4.4Å; K337-F341 HydrophobicContact CG-CD2 4.36Å; K337-F341 HydrophobicContact CG-CE2 4.05Å; K337-F341 HydrophobicContact CG-CZ 4.35Å; K337-F341 PolarHBondContact O-N 3.48Å; K337-F341 VanDerWaalsContact O-N 3.11Å; Q338-F341 PolarHBondContact O-N 2.79Å; F341-A344 PolarHBondContact O-N 3.22Å; F341-I345 WeakPolarHBondContact O-CB 3.48Å; F341-I345 WeakPolarHBondContact O-CD1 3.47Å; F341-I345 WeakPolarHBondContact O-CG1 3.18Å; F341-I345 PolarHBondContact O-N 3.28Å; F341-F354 HydrophobicContact CE1-CE2 4.45Å; F341-F354 AromaticContact CE1-CZ 3.87Å; F341-F354 HydrophobicContact CE1-CZ 3.87Å; F341-F354 AromaticContact CZ-CZ 3.91Å; F341-F354 HydrophobicContact CZ-CZ 3.91Å; F341-P436 HydrophobicContact CD2-CB 4.13Å; F341-P436 HydrophobicContact CE2-CB 4.03Å; F341-E440 HydrophobicContact CZ-CB 4.44Å; F341-E440 WeakPolarHBondContact CZ-OE2 3.39Å
342	Y	88.1	Confident	83.1	Confident	37 Å²	37	57.3 Å²	57.3	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-47.3	-179.6	-166.5	-88.1	0	0	0	110.8	Q338 I340 A344 I345 V346 L429 C433 T589 I590	Q338-Y342 WeakPolarHBondContact O-CB 3.42Å; Q338-Y342 PolarHBondContact O-N 2.93Å; I340-Y342 PolarHBondContact O-N 3.05Å; Y342-A344 VanDerWaalsContact C-N 3.34Å; Y342-A344 PolarHBondContact O-N 2.61Å; Y342-I345 PolarHBondContact O-N 3.32Å; Y342-V346 HydrophobicContact CD1-CG2 4.03Å; Y342-V346 HydrophobicContact CE1-CG2 3.84Å; Y342-V346 VanDerWaalsContact O-CG2 3.29Å; Y342-V346 WeakPolarHBondContact O-CG2 3.43Å; Y342-V346 PolarHBondContact O-N 2.95Å; Y342-L429 HydrophobicContact CD2-CD2 3.8Å; Y342-L429 HydrophobicContact CE1-CD2 4.4Å; Y342-L429 HydrophobicContact CE2-CB 4.2Å; Y342-L429 HydrophobicContact CE2-CD2 3.62Å; Y342-L429 HydrophobicContact CE2-CG 4.42Å; Y342-L429 HydrophobicContact CG-CD2 4.27Å; Y342-C433 VanDerWaalsContact CE2-SG 3.57Å; Y342-T589 HydrophobicContact CE2-CG2 4.24Å; Y342-T589 WeakPolarHBondContact OH-CA 3.47Å; Y342-I590 PolarHBondContact OH-N 2.7Å
343	T	88.6	Confident	82	Confident	76 Å²	76	62.4 Å²	62.4	47%	0.466	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-43.2	175.4	-55.2	0	0	0	0	111.4	E339 I340 I345 V346 N347	E339-T343 VanDerWaalsContact O-CB 3.3Å; E339-T343 WeakPolarHBondContact O-CB 3.38Å; E339-T343 PolarHBondContact O-N 3.32Å; E339-T343 PolarHBondContact O-OG1 3.1Å; I340-T343 PolarHBondContact O-N 2.93Å; T343-I345 PolarHBondContact O-N 3.29Å; T343-V346 PolarHBondContact O-N 3.13Å; T343-N347 WeakPolarHBondContact O-CB 3.42Å; T343-N347 VanDerWaalsContact O-CG 3.3Å; T343-N347 PolarHBondContact O-N 2.92Å; T343-N347 PolarHBondContact O-ND2 2.86Å
344	A	85.4	Confident	80.8	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-36.3	178.1	0	0	0	0	0	113.2	I340 F341 Y342 R348 T349 I350 M353	I340-A344 VanDerWaalsContact O-CB 3.29Å; I340-A344 WeakPolarHBondContact O-CB 3.21Å; I340-A344 PolarHBondContact O-N 3.05Å; F341-A344 PolarHBondContact O-N 3.22Å; Y342-A344 VanDerWaalsContact C-N 3.34Å; Y342-A344 PolarHBondContact O-N 2.61Å; A344-R348 CarbonylContact O-C 3.16Å; A344-R348 PolarHBondContact O-N 2.87Å; A344-T349 PolarHBondContact O-N 3.35Å; A344-T349 PolarHBondContact O-OG1 2.7Å; A344-I350 HydrophobicContact CB-CB 4.12Å; A344-I350 PolarHBondContact O-N 3.23Å; A344-M353 HydrophobicContact CB-CE 4.17Å; A344-M353 HydrophobicContact CB-SD 3.52Å; A344-M353 VanDerWaalsContact CB-SD 3.52Å
345	I	85.2	Confident	79.1	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-44.4	175.7	-66.3	159.8	0	0	0	110.4	F341 Y342 T343 N347 R348 I350 I425 L428 L429 C432 I439	F341-I345 WeakPolarHBondContact O-CB 3.48Å; F341-I345 WeakPolarHBondContact O-CD1 3.47Å; F341-I345 WeakPolarHBondContact O-CG1 3.18Å; F341-I345 PolarHBondContact O-N 3.28Å; Y342-I345 PolarHBondContact O-N 3.32Å; T343-I345 PolarHBondContact O-N 3.29Å; I345-N347 VanDerWaalsContact C-N 3.32Å; I345-N347 PolarHBondContact O-N 2.95Å; I345-R348 PolarHBondContact O-N 2.92Å; I345-R348 VanDerWaalsContact O-N 3.09Å; I345-I350 HydrophobicContact CD1-CD1 3.91Å; I345-I350 HydrophobicContact CG1-CB 4.3Å; I345-I350 HydrophobicContact CG1-CD1 3.38Å; I345-I350 HydrophobicContact CG1-CG1 4.42Å; I345-I350 HydrophobicContact CG1-CG2 4.4Å; I345-I425 HydrophobicContact CG2-CG2 3.92Å; I345-L428 HydrophobicContact CD1-CB 4.17Å; I345-L428 HydrophobicContact CG1-CB 4.5Å; I345-L428 HydrophobicContact CG2-CB 4.08Å; I345-L429 HydrophobicContact CB-CD2 3.81Å; I345-L429 HydrophobicContact CG2-CD2 3.45Å; I345-L429 VanDerWaalsContact CG2-CD2 3.45Å; I345-L429 HydrophobicContact CG2-CG 3.73Å; I345-C432 HydrophobicContact CD1-CB 3.9Å; I345-I439 HydrophobicContact CD1-CD1 4.02Å
346	V	86.2	Confident	77.2	Confident	81 Å²	81	65.8 Å²	65.8	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-43.7	177.7	171.3	0	0	0	0	110.7	Y342 T343 R348 L429	Y342-V346 HydrophobicContact CD1-CG2 4.03Å; Y342-V346 HydrophobicContact CE1-CG2 3.84Å; Y342-V346 VanDerWaalsContact O-CG2 3.29Å; Y342-V346 WeakPolarHBondContact O-CG2 3.43Å; Y342-V346 PolarHBondContact O-N 2.95Å; T343-V346 PolarHBondContact O-N 3.13Å; V346-R348 PolarHBondContact O-N 3.11Å; V346-L429 HydrophobicContact CG2-CD2 3.87Å
347	N	84.7	Confident	74.8	Confident	105 Å²	105	62.2 Å²	62.2	56%	0.561	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.2	178.1	-66.7	-16.8	0	0	0	113.5	T343 I345 T349	T343-N347 WeakPolarHBondContact O-CB 3.42Å; T343-N347 VanDerWaalsContact O-CG 3.3Å; T343-N347 PolarHBondContact O-N 2.92Å; T343-N347 PolarHBondContact O-ND2 2.86Å; I345-N347 VanDerWaalsContact C-N 3.32Å; I345-N347 PolarHBondContact O-N 2.95Å; N347-T349 HydrophobicContact CB-CG2 4.26Å; N347-T349 PolarHBondContact O-N 3.32Å; N347-T349 VanDerWaalsContact O-N 3.16Å
348	R	78.3	Confident	72.4	Confident	188 Å²	188	68.7 Å²	68.7	71%	0.709	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	22.8	-174.1	-56.3	-177.5	178.6	-172.9	-1.5	114.2	A344 I345 V346 I425	A344-R348 CarbonylContact O-C 3.16Å; A344-R348 PolarHBondContact O-N 2.87Å; I345-R348 PolarHBondContact O-N 2.92Å; I345-R348 VanDerWaalsContact O-N 3.09Å; V346-R348 PolarHBondContact O-N 3.11Å; R348-I425 HydrophobicContact CG-CD1 4.2Å
349	T	76.3	Confident	69.9	Low	54 Å²	54	78.3 Å²	78.3	33%	0.331	42%	0.416	S	S	.	.			trans	-95.2	0.2	179.2	50.1	0	0	0	0	113.1	A344 N347 A351 N352 M353	A344-T349 PolarHBondContact O-N 3.35Å; A344-T349 PolarHBondContact O-OG1 2.7Å; N347-T349 HydrophobicContact CB-CG2 4.26Å; N347-T349 PolarHBondContact O-N 3.32Å; N347-T349 VanDerWaalsContact O-N 3.16Å; T349-A351 PolarHBondContact O-N 3.34Å; T349-A351 VanDerWaalsContact O-N 3.15Å; T349-N352 WeakPolarHBondContact O-CA 2.88Å; T349-N352 WeakPolarHBondContact O-CB 3.31Å; T349-N352 PolarHBondContact O-N 3.37Å; T349-M353 PolarHBondContact O-N 3.35Å
350	I	69	Low	67.4	Low	3 Å²	3	81.8 Å²	81.8	2%	0.015	43%	0.432	C	S	.	.	H	α-helix	trans	-56.9	-32.8	-178.5	-165.6	155.7	0	0	0	112.9	A344 I345 N352 M353 F354 L420 L422	A344-I350 HydrophobicContact CB-CB 4.12Å; A344-I350 PolarHBondContact O-N 3.23Å; I345-I350 HydrophobicContact CD1-CD1 3.91Å; I345-I350 HydrophobicContact CG1-CB 4.3Å; I345-I350 HydrophobicContact CG1-CD1 3.38Å; I345-I350 HydrophobicContact CG1-CG1 4.42Å; I345-I350 HydrophobicContact CG1-CG2 4.4Å; I350-N352 VanDerWaalsContact C-N 3.27Å; I350-N352 PolarHBondContact O-N 2.99Å; I350-M353 WeakPolarHBondContact O-CB 3.44Å; I350-M353 PolarHBondContact O-N 3.3Å; I350-M353 VanDerWaalsContact O-N 3.16Å; I350-F354 HydrophobicContact CD1-CE2 3.93Å; I350-F354 HydrophobicContact CG1-CD2 3.84Å; I350-F354 HydrophobicContact CG1-CE2 3.49Å; I350-F354 VanDerWaalsContact CG1-CE2 3.49Å; I350-F354 WeakPolarHBondContact O-CD2 3.41Å; I350-F354 PolarHBondContact O-N 3.24Å; I350-L420 HydrophobicContact CD1-CD2 4.31Å; I350-L422 HydrophobicContact CG2-CD2 3.68Å
351	A	64.1	Low	65.1	Low	18 Å²	18	83.7 Å²	83.7	15%	0.149	45%	0.448	C	S	.	.	H	α-helix	trans	-61	-36.3	174.3	0	0	0	0	0	112.5	T349 M353 F354 G355 S356 L422	T349-A351 PolarHBondContact O-N 3.34Å; T349-A351 VanDerWaalsContact O-N 3.15Å; A351-M353 VanDerWaalsContact C-N 3.33Å; A351-M353 PolarHBondContact O-N 3.12Å; A351-F354 PolarHBondContact O-N 3.37Å; A351-G355 PolarHBondContact O-N 2.93Å; A351-S356 WeakPolarHBondContact O-CB 3.47Å; A351-S356 PolarHBondContact O-N 2.99Å; A351-S356 PolarHBondContact O-OG 3.46Å; A351-S356 VanDerWaalsContact O-OG 3.07Å; A351-L422 HydrophobicContact CB-CD1 4.12Å
352	N	64.8	Low	63.2	Low	115 Å²	115	88.3 Å²	88.3	62%	0.615	47%	0.472	S	S	*	.	H	α-helix	trans	-71.8	-28.4	178.5	-59	-4	0	0	0	111.8	T349 I350 G355	T349-N352 WeakPolarHBondContact O-CA 2.88Å; T349-N352 WeakPolarHBondContact O-CB 3.31Å; T349-N352 PolarHBondContact O-N 3.37Å; I350-N352 VanDerWaalsContact C-N 3.27Å; I350-N352 PolarHBondContact O-N 2.99Å; N352-G355 PolarHBondContact O-N 3.4Å
353	M	63.2	Low	61.5	Low	107 Å²	107	93 Å²	93	53%	0.527	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-33.2	175.2	-79.2	-176	160.6	0	0	112.5	I340 A344 T349 I350 A351 G355	I340-M353 HydrophobicContact CG2-CE 3.59Å; I340-M353 HydrophobicContact CG2-SD 4.02Å; A344-M353 HydrophobicContact CB-CE 4.17Å; A344-M353 HydrophobicContact CB-SD 3.52Å; A344-M353 VanDerWaalsContact CB-SD 3.52Å; T349-M353 PolarHBondContact O-N 3.35Å; I350-M353 WeakPolarHBondContact O-CB 3.44Å; I350-M353 PolarHBondContact O-N 3.3Å; I350-M353 VanDerWaalsContact O-N 3.16Å; A351-M353 VanDerWaalsContact C-N 3.33Å; A351-M353 PolarHBondContact O-N 3.12Å; M353-G355 VanDerWaalsContact C-N 3.31Å
354	F	61.3	Low	59.6	Low	29 Å²	29	94.3 Å²	94.3	13%	0.127	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	21	176.8	-64.1	-74.5	0	0	0	112.9	F341 I350 A351 S356 V418 L420 I439 E440	F341-F354 HydrophobicContact CE1-CE2 4.45Å; F341-F354 AromaticContact CE1-CZ 3.87Å; F341-F354 HydrophobicContact CE1-CZ 3.87Å; F341-F354 AromaticContact CZ-CZ 3.91Å; F341-F354 HydrophobicContact CZ-CZ 3.91Å; I350-F354 HydrophobicContact CD1-CE2 3.93Å; I350-F354 HydrophobicContact CG1-CD2 3.84Å; I350-F354 HydrophobicContact CG1-CE2 3.49Å; I350-F354 VanDerWaalsContact CG1-CE2 3.49Å; I350-F354 WeakPolarHBondContact O-CD2 3.41Å; I350-F354 PolarHBondContact O-N 3.24Å; A351-F354 PolarHBondContact O-N 3.37Å; F354-S356 PolarHBondContact O-N 3.41Å; F354-V418 HydrophobicContact CD1-CG1 4.16Å; F354-V418 HydrophobicContact CD1-CG2 3.99Å; F354-V418 HydrophobicContact CE1-CG1 4.29Å; F354-V418 HydrophobicContact CE1-CG2 4.06Å; F354-V418 HydrophobicContact CG-CG1 4.34Å; F354-L420 HydrophobicContact CB-CD1 4.35Å; F354-L420 HydrophobicContact CD2-CD1 3.36Å; F354-L420 HydrophobicContact CE2-CD1 3.75Å; F354-L420 HydrophobicContact CE2-CD2 4.48Å; F354-L420 HydrophobicContact CG-CD1 3.92Å; F354-I439 HydrophobicContact CE2-CG2 4.35Å; F354-I439 HydrophobicContact CZ-CG2 4.23Å; F354-E440 HydrophobicContact CE1-CB 4.19Å; F354-E440 HydrophobicContact CE1-CG 4.29Å; F354-E440 HydrophobicContact CZ-CB 4.31Å
355	G	51.3	Low	57.9	Low	58 Å²	58	95.8 Å²	95.8	60%	0.598	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	22	171.7	0	0	0	0	0	116.1	A351 N352 M353 S357	A351-G355 PolarHBondContact O-N 2.93Å; N352-G355 PolarHBondContact O-N 3.4Å; M353-G355 VanDerWaalsContact C-N 3.31Å; G355-S357 PolarHBondContact O-N 3.05Å
356	S	46.5	Very low	56.6	Low	61 Å²	61	102.6 Å²	102.6	43%	0.427	55%	0.553	S	S	.	*			trans	-76.4	69.6	174.8	-51.5	0	0	0	0	111.6	A351 F354	A351-S356 WeakPolarHBondContact O-CB 3.47Å; A351-S356 PolarHBondContact O-N 2.99Å; A351-S356 PolarHBondContact O-OG 3.46Å; A351-S356 VanDerWaalsContact O-OG 3.07Å; F354-S356 PolarHBondContact O-N 3.41Å
357	S	37.5	Very low	55	Low	105 Å²	105	104.6 Å²	104.6	73%	0.734	57%	0.566	S	S	*	*			trans	-130	70.3	169.1	60.2	0	0	0	0	111.4	G355	G355-S357 PolarHBondContact O-N 3.05Å
358	E	36.5	Very low	53.4	Low	191 Å²	191	102.1 Å²	102.1	89%	0.893	57%	0.565	S	S	*	*			trans	-112.3	117	141.3	-71.7	-165.5	168.5	0	0	107.5	E360	E358-E360 PolarHBondContact O-N 2.99Å
359	K	37.8	Very low	51.6	Low	202 Å²	202	101.6 Å²	101.6	88%	0.878	56%	0.563	S	S	*	*			trans	-57.6	125.6	164.9	-71.8	173.8	176.7	173.6	0	106.2	T361	K359-T361 PolarHBondContact O-N 3.23Å
360	E	36.9	Very low	50.2	Low	172 Å²	172	102.7 Å²	102.7	80%	0.804	57%	0.571	S	S	*	*			trans	-47	109.4	169.1	-74.6	-177.2	153.1	0	0	108.8	E358 I362	E358-E360 PolarHBondContact O-N 2.99Å; E360-I362 VanDerWaalsContact C-N 3.33Å; E360-I362 PolarHBondContact O-N 2.92Å
361	T	38.5	Very low	49	Very low	132 Å²	132	109.5 Å²	109.5	81%	0.81	60%	0.601	S	S	*	*			trans	-69.2	97.6	169.1	44.6	0	0	0	0	106.8	K359 E363	K359-T361 PolarHBondContact O-N 3.23Å; T361-E363 PolarHBondContact O-N 3.45Å
362	I	47.5	Very low	48.1	Very low	112 Å²	112	119 Å²	119	57%	0.574	63%	0.633	S	S	*	*			trans	-61.9	106.7	173.9	-58.3	170	0	0	0	107	E360 L364 P370	E360-I362 VanDerWaalsContact C-N 3.33Å; E360-I362 PolarHBondContact O-N 2.92Å; I362-L364 HydrophobicContact CG2-CD2 4.25Å; I362-L364 PolarHBondContact O-N 3.06Å; I362-P370 HydrophobicContact CG2-CB 3.81Å; I362-P370 HydrophobicContact CG2-CG 4.35Å
363	E	51.2	Low	47.1	Very low	134 Å²	134	124.7 Å²	124.7	63%	0.626	65%	0.645	S	S	*	*			trans	-61.7	111.5	169.9	-75.4	-170.4	177.9	0	0	108.9	T361 K371	T361-E363 PolarHBondContact O-N 3.45Å; E363-K371 WeakPolarHBondContact O-CB 3.36Å; E363-K371 PolarHBondContact O-N 3.44Å; E363-K371 IonicContact OE2-NZ 3.54Å
364	L	50.3	Low	45.9	Very low	105 Å²	105	125.3 Å²	125.3	55%	0.55	66%	0.656	S	S	.	*	B	Isolated β-bridge	trans	-83.6	142	173.5	-62.7	170.7	0	0	0	109	I362 P370	I362-L364 HydrophobicContact CG2-CD2 4.25Å; I362-L364 PolarHBondContact O-N 3.06Å; L364-P370 HydrophobicContact CD2-CG 4.16Å
365	S	50	Low	44.8	Very low	35 Å²	35	135.4 Å²	135.4	25%	0.245	69%	0.693	C	S	.	*			trans	-62.3	164	165.6	61.6	0	0	0	0	110.3	T367 G368 R369	S365-T367 PolarHBondContact O-N 3.43Å; S365-T367 PolarHBondContact OG-OG1 3.15Å; S365-G368 PolarHBondContact O-N 3.12Å; S365-R369 PolarHBondContact N-O 3.02Å; S365-R369 PolarHBondContact OG-N 2.81Å; S365-R369 PolarHBondContact OG-O 2.95Å
366	P	57.6	Low	44.3	Very low	147 Å²	147	141.1 Å²	141.1	96%	0.955	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-15.1	174.2	-24.2	33.1	0	0	0	114.2
367	T	52.6	Low	44.1	Very low	124 Å²	124	143.8 Å²	143.8	76%	0.761	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	11.8	177.2	51.1	0	0	0	0	114.1	S365 R369	S365-T367 PolarHBondContact O-N 3.43Å; S365-T367 PolarHBondContact OG-OG1 3.15Å; T367-R369 VanDerWaalsContact C-N 3.34Å; T367-R369 PolarHBondContact O-N 3.13Å
368	G	51.2	Low	44.5	Very low	52 Å²	52	144.2 Å²	144.2	54%	0.536	71%	0.713	S	S	.	*	S	Bend	trans	75.1	14.4	173	0	0	0	0	0	115.5	S365	S365-G368 PolarHBondContact O-N 3.12Å
369	R	39.3	Very low	45.1	Very low	177 Å²	177	141.8 Å²	141.8	67%	0.668	71%	0.706	S	S	*	*			trans	-101.5	137.3	-179.8	-160.5	173.4	-172.8	174.6	3.8	110.8	S365 T367 K371	S365-R369 PolarHBondContact N-O 3.02Å; S365-R369 PolarHBondContact OG-N 2.81Å; S365-R369 PolarHBondContact OG-O 2.95Å; T367-R369 VanDerWaalsContact C-N 3.34Å; T367-R369 PolarHBondContact O-N 3.13Å; R369-K371 PolarHBondContact O-N 2.91Å
370	P	48	Very low	45.7	Very low	78 Å²	78	140 Å²	140	51%	0.506	70%	0.695	S	S	.	*	B	Isolated β-bridge	trans	-57	125.9	173.8	-24.2	32.9	0	0	0	111.2	I362 L364 R372	I362-P370 HydrophobicContact CG2-CB 3.81Å; I362-P370 HydrophobicContact CG2-CG 4.35Å; L364-P370 HydrophobicContact CD2-CG 4.16Å; P370-R372 PolarHBondContact O-N 3.17Å
371	K	42.6	Very low	46.3	Very low	146 Å²	146	136.4 Å²	136.4	64%	0.635	69%	0.689	S	S	*	*			trans	-65.9	114.1	-179.3	-145.9	178.6	-170.6	177.7	0	109.3	E363 R369	E363-K371 WeakPolarHBondContact O-CB 3.36Å; E363-K371 PolarHBondContact O-N 3.44Å; E363-K371 IonicContact OE2-NZ 3.54Å; R369-K371 PolarHBondContact O-N 2.91Å
372	R	44.8	Very low	46.8	Very low	218 Å²	218	139.1 Å²	139.1	82%	0.823	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.8	175.4	-82.7	-177.4	168.3	179	-4.2	109.9	P370 T374	P370-R372 PolarHBondContact O-N 3.17Å; R372-T374 PolarHBondContact O-N 2.93Å
373	R	44	Very low	46.9	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.879	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-62.1	117.2	170.7	-72.5	-178.3	171.7	-179	-2.7	109.5
374	T	38	Very low	46.6	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-102.3	131.4	169.4	44.9	0	0	0	0	109.2	R372 K376	R372-T374 PolarHBondContact O-N 2.93Å; T374-K376 PolarHBondContact O-N 2.82Å
375	R	39.8	Very low	46.8	Very low	241 Å²	241	141.1 Å²	141.1	91%	0.909	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67.6	117.7	165.1	-89.3	-179.4	167.3	174.7	-3.9	107.8	S377	R375-S377 PolarHBondContact O-N 2.81Å
376	K	40.6	Very low	46.7	Very low	177 Å²	177	147 Å²	147	77%	0.77	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.1	129.2	167.6	-92.5	178.6	176.3	172.4	0	108.8	T374 I378	T374-K376 PolarHBondContact O-N 2.82Å; K376-I378 PolarHBondContact O-N 2.55Å
377	S	40.7	Very low	46.6	Very low	118 Å²	118	145 Å²	145	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-74.6	117.2	171.1	53.6	0	0	0	0	109.4	R375	R375-S377 PolarHBondContact O-N 2.81Å
378	I	47.4	Very low	46.7	Very low	114 Å²	114	145 Å²	145	59%	0.585	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-83.8	124.6	176.2	-56.9	165.9	0	0	0	107.9	K376 Y380	K376-I378 PolarHBondContact O-N 2.55Å; I378-Y380 HydrophobicContact CB-CE2 3.97Å; I378-Y380 HydrophobicContact CG2-CD2 4.35Å; I378-Y380 HydrophobicContact CG2-CE1 4.25Å; I378-Y380 HydrophobicContact CG2-CE2 3.95Å; I378-Y380 WeakPolarHBondContact O-CD2 3.06Å
379	N	48.4	Very low	47	Very low	139 Å²	139	148.4 Å²	148.4	74%	0.743	71%	0.711	S	S	*	*			trans	-98.1	108.6	-179.4	-144.1	-12	0	0	0	109	S381	N379-S381 VanDerWaalsContact C-N 3.26Å; N379-S381 PolarHBondContact O-N 3.48Å
380	Y	50.4	Low	47.7	Very low	166 Å²	166	144.7 Å²	144.7	65%	0.651	70%	0.704	S	S	*	*			trans	-82.9	8.2	-170.1	-70.4	-89.7	0	0	0	114.5	I378 K382 I383	I378-Y380 HydrophobicContact CB-CE2 3.97Å; I378-Y380 HydrophobicContact CG2-CD2 4.35Å; I378-Y380 HydrophobicContact CG2-CE1 4.25Å; I378-Y380 HydrophobicContact CG2-CE2 3.95Å; I378-Y380 WeakPolarHBondContact O-CD2 3.06Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3Å; Y380-I383 HydrophobicContact CD1-CD1 4.06Å
381	S	50.4	Low	48.1	Very low	96 Å²	96	147.4 Å²	147.4	67%	0.671	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	10.7	-171.8	55.1	0	0	0	0	115.5	N379	N379-S381 VanDerWaalsContact C-N 3.26Å; N379-S381 PolarHBondContact O-N 3.48Å
382	K	48.9	Very low	48.9	Very low	188 Å²	188	147.5 Å²	147.5	82%	0.817	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	37.6	179.8	-65.2	-170.2	178.1	-174	0	113.1	Y380	Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3Å
383	I	47.8	Very low	49.5	Very low	105 Å²	105	141.4 Å²	141.4	54%	0.538	69%	0.693	S	S	.	*			trans	-107.7	98.5	175.8	-57	172.9	0	0	0	106.6	Y380	Y380-I383 HydrophobicContact CD1-CD1 4.06Å
384	D	46.5	Very low	50.2	Low	134 Å²	134	134.4 Å²	134.4	72%	0.717	67%	0.672	S	S	*	*			trans	-97.3	146.4	165.1	-97.4	-18.9	0	0	0	109.7	F386	D384-F386 VanDerWaalsContact C-N 3.34Å; D384-F386 PolarHBondContact O-N 3.16Å
385	D	53.3	Low	51.2	Low	154 Å²	154	132 Å²	132	82%	0.824	66%	0.66	S	S	*	*	S	Bend	trans	-63.2	57.2	-161.7	-73.9	-40	0	0	0	117.7
386	F	48.8	Very low	52	Low	159 Å²	159	127.2 Å²	127.2	70%	0.697	65%	0.648	S	S	*	*			trans	-119.8	120.3	169	-74.3	-78.8	0	0	0	113.3	D384 N388 E389	D384-F386 VanDerWaalsContact C-N 3.34Å; D384-F386 PolarHBondContact O-N 3.16Å; F386-N388 PolarHBondContact O-N 2.76Å; F386-N388 VanDerWaalsContact O-N 3.11Å; F386-E389 PolarHBondContact O-N 2.89Å
387	P	56.2	Low	52.6	Low	104 Å²	104	122.1 Å²	122.1	68%	0.675	63%	0.629	S	S	*	*	H	α-helix	trans	-55.4	-31.1	-176.4	-27.5	33.7	0	0	0	115.5	E389 E391	P387-E389 PolarHBondContact O-N 2.85Å; P387-E391 PolarHBondContact O-N 2.81Å
388	N	54.7	Low	53	Low	125 Å²	125	121.2 Å²	121.2	67%	0.668	61%	0.611	S	S	*	*	H	α-helix	trans	-72	-22.1	-176.5	-89.6	6.8	0	0	0	114.5	F386 K392	F386-N388 PolarHBondContact O-N 2.76Å; F386-N388 VanDerWaalsContact O-N 3.11Å; N388-K392 PolarHBondContact O-N 2.92Å
389	E	56.2	Low	53.1	Low	124 Å²	124	119.1 Å²	119.1	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-83.5	-32.4	177.3	-82	-165.7	153.8	0	0	112.4	F386 P387 E391 K392 L393	F386-E389 PolarHBondContact O-N 2.89Å; P387-E389 PolarHBondContact O-N 2.85Å; E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 PolarHBondContact O-N 2.89Å; E389-K392 PolarHBondContact O-N 3.1Å; E389-L393 PolarHBondContact O-N 3.28Å
390	L	55.1	Low	53	Low	99 Å²	99	117.9 Å²	117.9	52%	0.518	60%	0.595	S	S	.	*	H	α-helix	trans	-64.8	-39.6	175.2	-166.6	74.6	0	0	0	111.1	L393 I394	L390-L393 PolarHBondContact O-N 3.25Å; L390-I394 HydrophobicContact CD2-CD1 4.36Å; L390-I394 HydrophobicContact CG-CD1 3.99Å; L390-I394 WeakPolarHBondContact O-CB 3.41Å; L390-I394 WeakPolarHBondContact O-CD1 3.36Å; L390-I394 WeakPolarHBondContact O-CG1 3.27Å; L390-I394 PolarHBondContact O-N 3.39Å
391	E	56.7	Low	52.8	Low	134 Å²	134	112.3 Å²	112.3	63%	0.626	58%	0.578	S	S	*	*	H	α-helix	trans	-69.8	-36.3	179	-150.8	164.2	-148.7	0	0	111.9	P387 E389 I394 S395	P387-E391 PolarHBondContact O-N 2.81Å; E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 PolarHBondContact O-N 2.89Å; E391-I394 PolarHBondContact O-N 2.8Å; E391-S395 WeakPolarHBondContact O-CB 3.34Å; E391-S395 PolarHBondContact O-N 2.98Å; E391-S395 PolarHBondContact O-OG 3.46Å
392	K	58.8	Low	52.4	Low	149 Å²	149	112.1 Å²	112.1	65%	0.648	57%	0.57	S	S	*	*	H	α-helix	trans	-63.7	-43.2	169.5	-87.5	-179.5	177.4	174.5	0	112.4	N388 E389 S395 Q396	N388-K392 PolarHBondContact O-N 2.92Å; E389-K392 PolarHBondContact O-N 3.1Å; K392-S395 WeakPolarHBondContact CA-OG 3.44Å; K392-S395 PolarHBondContact O-N 2.84Å; K392-S395 PolarHBondContact O-OG 2.91Å; K392-Q396 WeakPolarHBondContact O-CG 3.11Å; K392-Q396 PolarHBondContact O-N 2.85Å
393	L	57.7	Low	52.1	Low	89 Å²	89	112.8 Å²	112.8	47%	0.466	57%	0.567	S	S	.	*	H	α-helix	trans	-66.2	-42	176.8	-111.1	138.1	0	0	0	112	E389 L390 S395 Q396 I397	E389-L393 PolarHBondContact O-N 3.28Å; L390-L393 PolarHBondContact O-N 3.25Å; L393-S395 VanDerWaalsContact C-N 3.35Å; L393-Q396 PolarHBondContact O-N 3.46Å; L393-I397 HydrophobicContact CD2-CD1 3.76Å; L393-I397 VanDerWaalsContact O-CB 3.29Å; L393-I397 WeakPolarHBondContact O-CB 3.3Å; L393-I397 WeakPolarHBondContact O-CD1 3.16Å; L393-I397 WeakPolarHBondContact O-CG1 3.47Å; L393-I397 PolarHBondContact O-N 3.43Å
394	I	57	Low	51.7	Low	86 Å²	86	115 Å²	115	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-60.9	-45.1	173.9	-72.2	165.6	0	0	0	110.1	L390 E391 Q396 I397 Q398	L390-I394 HydrophobicContact CD2-CD1 4.36Å; L390-I394 HydrophobicContact CG-CD1 3.99Å; L390-I394 WeakPolarHBondContact O-CB 3.41Å; L390-I394 WeakPolarHBondContact O-CD1 3.36Å; L390-I394 WeakPolarHBondContact O-CG1 3.27Å; L390-I394 PolarHBondContact O-N 3.39Å; E391-I394 PolarHBondContact O-N 2.8Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 3Å; I394-I397 CarbonylContact O-C 3.48Å; I394-I397 PolarHBondContact O-N 3.13Å; I394-I397 VanDerWaalsContact O-N 3.16Å; I394-Q398 WeakPolarHBondContact O-CB 3.35Å; I394-Q398 PolarHBondContact O-N 2.8Å; I394-Q398 PolarHBondContact O-OE1 2.86Å
395	S	59.4	Low	51.2	Low	70 Å²	70	116.5 Å²	116.5	49%	0.49	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-32.1	177.1	76.9	0	0	0	0	113.8	E391 K392 L393 P399	E391-S395 WeakPolarHBondContact O-CB 3.34Å; E391-S395 PolarHBondContact O-N 2.98Å; E391-S395 PolarHBondContact O-OG 3.46Å; K392-S395 WeakPolarHBondContact CA-OG 3.44Å; K392-S395 PolarHBondContact O-N 2.84Å; K392-S395 PolarHBondContact O-OG 2.91Å; L393-S395 VanDerWaalsContact C-N 3.35Å; S395-P399 WeakPolarHBondContact O-CD 3.37Å
396	Q	57.9	Low	50.3	Low	141 Å²	141	113.3 Å²	113.3	66%	0.659	57%	0.566	S	S	*	*	H	α-helix	trans	-76.8	-30.3	174.2	-78.4	-178.2	-18.1	0	0	112.5	K392 L393 I394	K392-Q396 WeakPolarHBondContact O-CG 3.11Å; K392-Q396 PolarHBondContact O-N 2.85Å; L393-Q396 PolarHBondContact O-N 3.46Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 3Å
397	I	52.5	Low	49.7	Very low	70 Å²	70	111.2 Å²	111.2	36%	0.359	57%	0.566	S	S	.	*	H	α-helix	trans	-84.5	-27.6	179.3	-69.4	167.6	0	0	0	111.6	L393 I394 E400 V401	L393-I397 HydrophobicContact CD2-CD1 3.76Å; L393-I397 VanDerWaalsContact O-CB 3.29Å; L393-I397 WeakPolarHBondContact O-CB 3.3Å; L393-I397 WeakPolarHBondContact O-CD1 3.16Å; L393-I397 WeakPolarHBondContact O-CG1 3.47Å; L393-I397 PolarHBondContact O-N 3.43Å; I394-I397 CarbonylContact O-C 3.48Å; I394-I397 PolarHBondContact O-N 3.13Å; I394-I397 VanDerWaalsContact O-N 3.16Å; I397-E400 PolarHBondContact O-N 2.99Å; I397-E400 VanDerWaalsContact O-N 3.09Å; I397-V401 HydrophobicContact CG2-CG2 3.41Å; I397-V401 VanDerWaalsContact CG2-CG2 3.41Å; I397-V401 WeakPolarHBondContact O-CG2 3.19Å; I397-V401 PolarHBondContact O-N 3.07Å
398	Q	50	Low	48.8	Very low	99 Å²	99	111.2 Å²	111.2	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-50.1	-55.4	-179.4	-141.8	102.1	9.1	0	0	112.8	I394 E400 V401 D402	I394-Q398 WeakPolarHBondContact O-CB 3.35Å; I394-Q398 PolarHBondContact O-N 2.8Å; I394-Q398 PolarHBondContact O-OE1 2.86Å; Q398-E400 PolarHBondContact O-N 3.43Å; Q398-V401 PolarHBondContact O-N 3.47Å; Q398-D402 WeakPolarHBondContact O-CB 3.36Å; Q398-D402 PolarHBondContact O-N 3.05Å; Q398-D402 VanDerWaalsContact O-OD2 3.09Å
399	P	49.5	Very low	47.7	Very low	70 Å²	70	114 Å²	114	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-68.4	-20.9	-178.2	26.9	-34.3	0	0	0	113.5	S395 R403	S395-P399 WeakPolarHBondContact O-CD 3.37Å; P399-R403 VanDerWaalsContact O-CG 3.31Å; P399-R403 WeakPolarHBondContact O-CG 3.32Å; P399-R403 PolarHBondContact O-N 2.78Å
400	E	46.4	Very low	46.8	Very low	114 Å²	114	109.8 Å²	109.8	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-85.3	-36.3	176	-68.9	-166	158.1	0	0	112.3	I397 Q398 R403 E404	I397-E400 PolarHBondContact O-N 2.99Å; I397-E400 VanDerWaalsContact O-N 3.09Å; Q398-E400 PolarHBondContact O-N 3.43Å; E400-R403 WeakPolarHBondContact O-CB 3.28Å; E400-R403 PolarHBondContact O-N 2.93Å; E400-E404 PolarHBondContact O-N 3.14Å
401	V	46.3	Very low	46.1	Very low	48 Å²	48	112.7 Å²	112.7	29%	0.291	57%	0.571	S	S	.	*	H	α-helix	trans	-70.5	-34	172.7	172.6	0	0	0	0	111.2	I397 Q398 R403 E404 R405	I397-V401 HydrophobicContact CG2-CG2 3.41Å; I397-V401 VanDerWaalsContact CG2-CG2 3.41Å; I397-V401 WeakPolarHBondContact O-CG2 3.19Å; I397-V401 PolarHBondContact O-N 3.07Å; Q398-V401 PolarHBondContact O-N 3.47Å; V401-R403 VanDerWaalsContact C-N 3.26Å; V401-R403 PolarHBondContact O-N 3.26Å; V401-E404 PolarHBondContact O-N 3.38Å; V401-R405 HydrophobicContact CG1-CG 4.36Å; V401-R405 WeakPolarHBondContact O-CB 3.34Å; V401-R405 WeakPolarHBondContact O-CG 3.46Å; V401-R405 PolarHBondContact O-N 3.39Å
402	D	41.8	Very low	45.2	Very low	93 Å²	93	111.9 Å²	111.9	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-71.7	-20.6	173	-66.4	-27.8	0	0	0	112.1	Q398	Q398-D402 WeakPolarHBondContact O-CB 3.36Å; Q398-D402 PolarHBondContact O-N 3.05Å; Q398-D402 VanDerWaalsContact O-OD2 3.09Å
403	R	42.3	Very low	44.4	Very low	202 Å²	202	107.6 Å²	107.6	76%	0.762	56%	0.557	S	S	*	*	H	α-helix	trans	-81.3	-33.8	166.9	-79.2	174	176.6	177	-0.3	113.5	P399 E400 V401	P399-R403 VanDerWaalsContact O-CG 3.31Å; P399-R403 WeakPolarHBondContact O-CG 3.32Å; P399-R403 PolarHBondContact O-N 2.78Å; E400-R403 WeakPolarHBondContact O-CB 3.28Å; E400-R403 PolarHBondContact O-N 2.93Å; V401-R403 VanDerWaalsContact C-N 3.26Å; V401-R403 PolarHBondContact O-N 3.26Å
404	E	39.3	Very low	44	Very low	152 Å²	152	108.8 Å²	108.8	71%	0.71	57%	0.568	S	S	*	*	H	α-helix	trans	-78.5	-31	176.7	-75.5	-165.2	159.8	0	0	112.8	E400 V401 A406	E400-E404 PolarHBondContact O-N 3.14Å; V401-E404 PolarHBondContact O-N 3.38Å; E404-A406 PolarHBondContact O-N 2.97Å
405	R	36.3	Very low	43.6	Very low	164 Å²	164	110.8 Å²	110.8	62%	0.619	58%	0.576	S	S	*	*	S	Bend	trans	-79	94.1	162.8	-68.9	176.3	179.6	179.7	2	106.9	V401 V407	V401-R405 HydrophobicContact CG1-CG 4.36Å; V401-R405 WeakPolarHBondContact O-CB 3.34Å; V401-R405 WeakPolarHBondContact O-CG 3.46Å; V401-R405 PolarHBondContact O-N 3.39Å; R405-V407 PolarHBondContact O-N 3.07Å
406	A	33.8	Very low	43.5	Very low	87 Å²	87	107.9 Å²	107.9	72%	0.719	56%	0.555	S	S	*	*			trans	-64.5	75.5	161.5	0	0	0	0	0	109.3	E404 V408	E404-A406 PolarHBondContact O-N 2.97Å; A406-V408 PolarHBondContact O-N 2.96Å
407	V	36.7	Very low	43.4	Very low	116 Å²	116	106.4 Å²	106.4	70%	0.703	55%	0.548	S	S	*	.			trans	-68.2	101.4	141.2	-175.9	0	0	0	0	101.8	R405 E409	R405-V407 PolarHBondContact O-N 3.07Å; V407-E409 PolarHBondContact O-N 2.92Å
408	V	36.5	Very low	43.8	Very low	103 Å²	103	104.3 Å²	104.3	62%	0.624	54%	0.539	S	S	*	.			trans	-57.8	101.8	168.9	177.2	0	0	0	0	104.4	A406 V410	A406-V408 PolarHBondContact O-N 2.96Å; V408-V410 HydrophobicContact CG1-CG2 4.16Å; V408-V410 PolarHBondContact O-N 3.24Å
409	E	32.6	Very low	44.2	Very low	185 Å²	185	104 Å²	104	86%	0.864	54%	0.54	S	S	*	.			trans	-63.8	90.1	160.9	-80	-174.9	164.1	0	0	104.9	V407 N411	V407-E409 PolarHBondContact O-N 2.92Å; E409-N411 PolarHBondContact O-N 3.15Å
410	V	37.4	Very low	44.8	Very low	34 Å²	34	102.7 Å²	102.7	21%	0.206	53%	0.529	C	S	.	.			trans	-55.5	135.5	165.7	-174.5	0	0	0	0	105	V408 I412	V408-V410 HydrophobicContact CG1-CG2 4.16Å; V408-V410 PolarHBondContact O-N 3.24Å; V410-I412 PolarHBondContact O-N 3.26Å
411	N	38.9	Very low	45.5	Very low	161 Å²	161	104.9 Å²	104.9	86%	0.861	54%	0.537	S	S	*	.			trans	-61.1	90.7	159.5	-90.9	-15.5	0	0	0	106	E409 P413	E409-N411 PolarHBondContact O-N 3.15Å; N411-P413 VanDerWaalsContact O-CD 3.27Å; N411-P413 WeakPolarHBondContact O-CD 3.15Å; N411-P413 VanDerWaalsContact O-N 3.13Å
412	I	38.6	Very low	46.1	Very low	116 Å²	116	107.1 Å²	107.1	60%	0.595	55%	0.547	S	S	*	.			trans	-56.9	117.5	179.8	-65.3	158.9	0	0	0	105.3	V410 V414 S416	V410-I412 PolarHBondContact O-N 3.26Å; I412-V414 PolarHBondContact O-N 2.77Å; I412-S416 WeakPolarHBondContact CG2-O 3.31Å
413	P	42	Very low	47.1	Very low	60 Å²	60	112.3 Å²	112.3	39%	0.39	57%	0.568	S	S	.	*			trans	-54.5	129.4	161.4	-15	28.4	0	0	0	106	N411 E415 S416	N411-P413 VanDerWaalsContact O-CD 3.27Å; N411-P413 WeakPolarHBondContact O-CD 3.15Å; N411-P413 VanDerWaalsContact O-N 3.13Å; P413-E415 PolarHBondContact O-N 3.1Å; P413-S416 PolarHBondContact O-N 3.34Å; P413-S416 VanDerWaalsContact O-N 3.09Å
414	V	49.6	Very low	48.6	Very low	113 Å²	113	106.6 Å²	106.6	69%	0.685	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-9	-177.1	-179.8	0	0	0	0	113.1	I412	I412-V414 PolarHBondContact O-N 2.77Å
415	E	48.8	Very low	50.6	Low	129 Å²	129	102 Å²	102	60%	0.603	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-0.2	-170.6	-47.4	-176.5	161	0	0	114.2	P413 I443 P445	P413-E415 PolarHBondContact O-N 3.1Å; E415-I443 PolarHBondContact O-N 3.25Å; E415-P445 HydrophobicContact CG-CG 4.12Å
416	S	56.1	Low	52.9	Low	8 Å²	8	96.8 Å²	96.8	6%	0.056	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	140.4	-179.4	65.4	0	0	0	0	116.1	I412 P413 Y441	I412-S416 WeakPolarHBondContact CG2-O 3.31Å; P413-S416 PolarHBondContact O-N 3.34Å; P413-S416 VanDerWaalsContact O-N 3.09Å; S416-Y441 CarbonylContact C-O 3.55Å; S416-Y441 VanDerWaalsContact CA-O 3.29Å; S416-Y441 WeakPolarHBondContact CA-O 3.38Å
417	E	55.3	Low	55.3	Low	110 Å²	110	96.3 Å²	96.3	51%	0.514	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.3	170.7	-101.3	-178.2	-162.2	0	0	111.9	E440 Y441 I443	E417-E440 WeakPolarHBondContact O-CA 3.21Å; E417-Y441 PolarHBondContact N-O 3.1Å; E417-Y441 PolarHBondContact O-N 3.39Å; E417-I443 HydrophobicContact CB-CD1 3.82Å; E417-I443 HydrophobicContact CG-CD1 3.54Å
418	V	61.1	Low	57.5	Low	27 Å²	27	91 Å²	91	16%	0.164	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.6	-177.4	-178.5	0	0	0	0	111.4	F354 L420 I439 E440	F354-V418 HydrophobicContact CD1-CG1 4.16Å; F354-V418 HydrophobicContact CD1-CG2 3.99Å; F354-V418 HydrophobicContact CE1-CG1 4.29Å; F354-V418 HydrophobicContact CE1-CG2 4.06Å; F354-V418 HydrophobicContact CG-CG1 4.34Å; V418-L420 HydrophobicContact CG1-CB 4.34Å; V418-L420 HydrophobicContact CG1-CD1 3.34Å; V418-L420 HydrophobicContact CG1-CG 3.56Å; V418-I439 CarbonylContact C-O 3.53Å; V418-I439 WeakPolarHBondContact CA-O 3.34Å; V418-E440 HydrophobicContact CG2-CG 4.33Å
419	N	59.8	Low	60	Low	92 Å²	92	86.9 Å²	86.9	49%	0.492	44%	0.441	S	S	.	.			trans	-109.7	75.9	-179.5	-159.8	-41.8	0	0	0	112	I439	N419-I439 PolarHBondContact N-O 3.45Å
420	L	61.6	Low	62.7	Low	42 Å²	42	79.1 Å²	79.1	22%	0.22	40%	0.404	C	S	.	.			trans	-103.7	116.8	-177.5	-72.2	167.9	0	0	0	112.4	I350 F354 V418 L428 I439	I350-L420 HydrophobicContact CD1-CD2 4.31Å; F354-L420 HydrophobicContact CB-CD1 4.35Å; F354-L420 HydrophobicContact CD2-CD1 3.36Å; F354-L420 HydrophobicContact CE2-CD1 3.75Å; F354-L420 HydrophobicContact CE2-CD2 4.48Å; F354-L420 HydrophobicContact CG-CD1 3.92Å; V418-L420 HydrophobicContact CG1-CB 4.34Å; V418-L420 HydrophobicContact CG1-CD1 3.34Å; V418-L420 HydrophobicContact CG1-CG 3.56Å; L420-L428 HydrophobicContact CD2-CD2 4.08Å; L420-I439 HydrophobicContact CD2-CG2 3.57Å; L420-I439 HydrophobicContact CG-CG2 4.21Å
421	K	60.7	Low	65.1	Low	161 Å²	161	79.2 Å²	79.2	70%	0.7	40%	0.402	S	S	*	.			trans	-117.9	94.3	166.7	-65.9	-174	-177.7	-178.6	0	109.5	Q423	K421-Q423 PolarHBondContact O-N 3.36Å
422	L	59.8	Low	67.5	Low	95 Å²	95	71.5 Å²	71.5	50%	0.497	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.5	-172.1	-65	171.8	0	0	0	114.9	I350 A351 N424 L428	I350-L422 HydrophobicContact CG2-CD2 3.68Å; A351-L422 HydrophobicContact CB-CD1 4.12Å; L422-N424 PolarHBondContact O-N 3.11Å; L422-L428 HydrophobicContact CD2-CD1 4.07Å
423	Q	61	Low	69.9	Low	202 Å²	202	66 Å²	66	94%	0.944	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.1	179.9	-68.9	-179.1	-9.7	0	0	113.4	K421	K421-Q423 PolarHBondContact O-N 3.36Å
424	N	74.7	Confident	72.2	Confident	82 Å²	82	63.1 Å²	63.1	44%	0.439	31%	0.314	S	S	.	.			trans	-127.7	82.2	-176.4	-165	-17.5	0	0	0	112.1	L422 M426 M427 L428	L422-N424 PolarHBondContact O-N 3.11Å; N424-M426 PolarHBondContact O-N 2.87Å; N424-M426 WeakPolarHBondContact OD1-CB 3.33Å; N424-M426 PolarHBondContact OD1-N 2.98Å; N424-M427 HydrophobicContact CB-CB 4.01Å; N424-M427 WeakPolarHBondContact O-CB 3.35Å; N424-M427 PolarHBondContact O-N 3.26Å; N424-M427 PolarHBondContact OD1-N 3.21Å; N424-L428 PolarHBondContact O-N 3.34Å; N424-L428 VanDerWaalsContact O-N 3.13Å
425	I	81.6	Confident	74.1	Confident	54 Å²	54	57.8 Å²	57.8	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-52.1	-41.9	177.1	-62.2	171.6	0	0	0	111.2	I345 R348 M427 L428 L429	I345-I425 HydrophobicContact CG2-CG2 3.92Å; R348-I425 HydrophobicContact CG-CD1 4.2Å; I425-M427 VanDerWaalsContact C-N 3.29Å; I425-M427 PolarHBondContact O-N 3.02Å; I425-L428 PolarHBondContact O-N 3.46Å; I425-L428 VanDerWaalsContact O-N 3.16Å; I425-L429 HydrophobicContact CG2-CD1 4.1Å; I425-L429 HydrophobicContact CG2-CG 4.28Å; I425-L429 WeakPolarHBondContact O-CG 3.48Å; I425-L429 PolarHBondContact O-N 3.34Å
426	M	83.6	Confident	75.9	Confident	56 Å²	56	51.6 Å²	51.6	28%	0.276	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-39.9	-179.3	-168.8	64.2	170.6	0	0	112	N424 R430 W558 I590 I594	N424-M426 PolarHBondContact O-N 2.87Å; N424-M426 WeakPolarHBondContact OD1-CB 3.33Å; N424-M426 PolarHBondContact OD1-N 2.98Å; M426-R430 WeakPolarHBondContact O-CG 3.44Å; M426-R430 PolarHBondContact O-N 3.13Å; M426-W558 HydrophobicContact CE-CH2 3.36Å; M426-W558 HydrophobicContact CE-CZ2 3.12Å; M426-I590 HydrophobicContact CE-CD1 3.42Å; M426-I590 VanDerWaalsContact CE-CD1 3.42Å; M426-I590 HydrophobicContact CE-CG1 3.18Å; M426-I590 HydrophobicContact SD-CD1 3.61Å; M426-I590 HydrophobicContact SD-CG1 3.43Å; M426-I590 WeakPolarHBondContact SD-CG1 3.33Å; M426-I594 HydrophobicContact CE-CD1 4.32Å; M426-I594 HydrophobicContact CE-CG1 4.42Å
427	M	84.3	Confident	77.3	Confident	77 Å²	77	51.6 Å²	51.6	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-39	176.4	-168.8	62.1	69.5	0	0	111.8	N424 I425 R430 K431 M486	N424-M427 HydrophobicContact CB-CB 4.01Å; N424-M427 WeakPolarHBondContact O-CB 3.35Å; N424-M427 PolarHBondContact O-N 3.26Å; N424-M427 PolarHBondContact OD1-N 3.21Å; I425-M427 VanDerWaalsContact C-N 3.29Å; I425-M427 PolarHBondContact O-N 3.02Å; M427-R430 PolarHBondContact O-N 2.9Å; M427-K431 WeakPolarHBondContact O-CG 2.99Å; M427-K431 PolarHBondContact O-N 3.02Å; M427-M486 HydrophobicContact SD-CE 3.79Å
428	L	84.4	Confident	78.6	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-42.9	176	-72.9	170.4	0	0	0	112.1	I345 L420 L422 N424 I425 R430 K431 C432	I345-L428 HydrophobicContact CD1-CB 4.17Å; I345-L428 HydrophobicContact CG1-CB 4.5Å; I345-L428 HydrophobicContact CG2-CB 4.08Å; L420-L428 HydrophobicContact CD2-CD2 4.08Å; L422-L428 HydrophobicContact CD2-CD1 4.07Å; N424-L428 PolarHBondContact O-N 3.34Å; N424-L428 VanDerWaalsContact O-N 3.13Å; I425-L428 PolarHBondContact O-N 3.46Å; I425-L428 VanDerWaalsContact O-N 3.16Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.44Å; L428-K431 PolarHBondContact O-N 2.87Å; L428-C432 WeakPolarHBondContact O-CB 3.28Å; L428-C432 PolarHBondContact O-N 3.45Å
429	L	88	Confident	79.4	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-41.7	174.9	-68.5	173.4	0	0	0	111.4	Y342 I345 V346 I425 C432 C433 I590	Y342-L429 HydrophobicContact CD2-CD2 3.8Å; Y342-L429 HydrophobicContact CE1-CD2 4.4Å; Y342-L429 HydrophobicContact CE2-CB 4.2Å; Y342-L429 HydrophobicContact CE2-CD2 3.62Å; Y342-L429 HydrophobicContact CE2-CG 4.42Å; Y342-L429 HydrophobicContact CG-CD2 4.27Å; I345-L429 HydrophobicContact CB-CD2 3.81Å; I345-L429 HydrophobicContact CG2-CD2 3.45Å; I345-L429 VanDerWaalsContact CG2-CD2 3.45Å; I345-L429 HydrophobicContact CG2-CG 3.73Å; V346-L429 HydrophobicContact CG2-CD2 3.87Å; I425-L429 HydrophobicContact CG2-CD1 4.1Å; I425-L429 HydrophobicContact CG2-CG 4.28Å; I425-L429 WeakPolarHBondContact O-CG 3.48Å; I425-L429 PolarHBondContact O-N 3.34Å; L429-C432 PolarHBondContact O-N 3.36Å; L429-C433 PolarHBondContact O-N 3.25Å; L429-C433 PolarHBondContact O-SG 3.48Å; L429-I590 HydrophobicContact CB-CB 4.5Å; L429-I590 HydrophobicContact CB-CG2 3.97Å
430	R	89.9	Confident	80	Confident	23 Å²	23	43 Å²	43	9%	0.087	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-44.2	175	-72.4	-175.9	69.7	-172.5	3.5	112.4	M426 M427 L428 C432 C433 N434 M486 D555 S556 I590 I594	M426-R430 WeakPolarHBondContact O-CG 3.44Å; M426-R430 PolarHBondContact O-N 3.13Å; M427-R430 PolarHBondContact O-N 2.9Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.44Å; R430-C432 VanDerWaalsContact C-N 3.33Å; R430-C432 PolarHBondContact O-N 3.19Å; R430-C433 PolarHBondContact O-N 3.14Å; R430-N434 PolarHBondContact O-N 3.44Å; R430-M486 HydrophobicContact CB-CE 3.82Å; R430-D555 IonicContact NH2-OD2 3.74Å; R430-S556 PolarHBondContact NH2-O 3.12Å; R430-I590 HydrophobicContact CG-CG2 4.17Å; R430-I594 HydrophobicContact CG-CD1 4.22Å
431	K	88.3	Confident	80.6	Confident	35 Å²	35	42.1 Å²	42.1	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-47.7	174.7	-76.9	-177.4	168.2	-156.5	0	110.9	M427 L428 C433 N434 H435 L438 I439 M486	M427-K431 WeakPolarHBondContact O-CG 2.99Å; M427-K431 PolarHBondContact O-N 3.02Å; L428-K431 PolarHBondContact O-N 2.87Å; K431-C433 PolarHBondContact O-N 3.47Å; K431-N434 PolarHBondContact O-N 3.21Å; K431-N434 VanDerWaalsContact O-N 3.17Å; K431-H435 CarbonylContact O-C 3.6Å; K431-H435 PolarHBondContact O-N 3.39Å; K431-L438 HydrophobicContact CB-CB 4Å; K431-L438 HydrophobicContact CB-CD1 4.34Å; K431-L438 HydrophobicContact CD-CB 4.36Å; K431-L438 HydrophobicContact CG-CB 4.18Å; K431-L438 HydrophobicContact CG-CD1 4.44Å; K431-L438 PolarHBondContact NZ-O 3.49Å; K431-I439 HydrophobicContact CB-CG1 4.21Å; K431-M486 HydrophobicContact CG-CE 3.99Å; K431-M486 HydrophobicContact CG-SD 3.86Å
432	C	88.9	Confident	81.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-43.4	178.2	-172.5	0	0	0	0	112.7	Q338 I345 L428 L429 R430 N434 I439	Q338-C432 PolarHBondContact NE2-O 2.99Å; Q338-C432 PolarHBondContact O-SG 3.31Å; Q338-C432 VanDerWaalsContact O-SG 3.39Å; I345-C432 HydrophobicContact CD1-CB 3.9Å; L428-C432 WeakPolarHBondContact O-CB 3.28Å; L428-C432 PolarHBondContact O-N 3.45Å; L429-C432 PolarHBondContact O-N 3.36Å; R430-C432 VanDerWaalsContact C-N 3.33Å; R430-C432 PolarHBondContact O-N 3.19Å; C432-N434 VanDerWaalsContact C-N 3.29Å; C432-N434 PolarHBondContact O-N 3.39Å; C432-I439 HydrophobicContact CB-CD1 3.94Å
433	C	89.3	Confident	81.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-30.7	177.7	-65.2	0	0	0	0	112.7	Q338 Y342 L429 R430 K431 K462 T586 D591	Q338-C433 PolarHBondContact NE2-O 3.25Å; Y342-C433 VanDerWaalsContact CE2-SG 3.57Å; L429-C433 PolarHBondContact O-N 3.25Å; L429-C433 PolarHBondContact O-SG 3.48Å; R430-C433 PolarHBondContact O-N 3.14Å; K431-C433 PolarHBondContact O-N 3.47Å; C433-K462 WeakPolarHBondContact O-CE 3.49Å; C433-T586 HydrophobicContact CB-CG2 4.43Å; C433-D591 WeakPolarHBondContact CB-OD2 3.36Å
434	N	90.1	Very high	81.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-75.8	-61.9	176.2	-77.8	-8.8	0	0	0	111.5	R430 K431 C432 L438 S460 K462 M489 Y554 D555	R430-N434 PolarHBondContact O-N 3.44Å; K431-N434 PolarHBondContact O-N 3.21Å; K431-N434 VanDerWaalsContact O-N 3.17Å; C432-N434 VanDerWaalsContact C-N 3.29Å; C432-N434 PolarHBondContact O-N 3.39Å; N434-L438 HydrophobicContact CB-CD1 3.75Å; N434-S460 PolarHBondContact O-OG 3.19Å; N434-K462 PolarHBondContact OD1-NZ 3.02Å; N434-M489 HydrophobicContact CB-SD 4.15Å; N434-Y554 HydrophobicContact CB-CE1 3.92Å; N434-Y554 PolarHBondContact O-OH 2.98Å; N434-D555 PolarHBondContact ND2-OD2 2.65Å; N434-D555 WeakPolarHBondContact OD1-CB 3.5Å
435	H	89.4	Confident	80.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.			trans	-160.4	135.3	177.6	-160.4	-92.6	0	0	0	111.5	K431 Y437 L438 L456 S460 F463 M489 I492	K431-H435 CarbonylContact O-C 3.6Å; K431-H435 PolarHBondContact O-N 3.39Å; H435-Y437 AromaticContact CE1-CD1 3.58Å; H435-Y437 AromaticContact CE1-CD2 3.47Å; H435-Y437 VanDerWaalsContact CE1-CD2 3.47Å; H435-Y437 WeakPolarHBondContact CE1-CD2 3.22Å; H435-Y437 AromaticContact CE1-CE2 3.95Å; H435-Y437 AromaticContact CE1-CG 3.25Å; H435-Y437 WeakPolarHBondContact ND1-CB 3.47Å; H435-Y437 AromaticContact ND1-CD1 3.89Å; H435-Y437 AromaticContact ND1-CD2 3.92Å; H435-Y437 AromaticContact ND1-CG 3.39Å; H435-Y437 PolarHBondContact ND1-N 2.91Å; H435-Y437 PolarHBondContact O-N 3.49Å; H435-L438 HydrophobicContact CB-CD1 4.31Å; H435-L438 HydrophobicContact CB-CG 4.25Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 3.15Å; H435-L438 VanDerWaalsContact O-N 3.15Å; H435-L456 PolarHBondContact NE2-O 2.82Å; H435-S460 WeakPolarHBondContact CD2-CB 3.32Å; H435-F463 HydrophobicContact CB-CE2 4.45Å; H435-F463 AromaticContact CD2-CD2 3.42Å; H435-F463 VanDerWaalsContact CD2-CD2 3.42Å; H435-F463 WeakPolarHBondContact CD2-CD2 3.5Å; H435-F463 AromaticContact CD2-CE2 3.33Å; H435-F463 WeakPolarHBondContact CD2-CE2 3.07Å; H435-M489 HydrophobicContact CB-SD 3.95Å; H435-I492 HydrophobicContact CB-CD1 4.18Å
436	P	86.8	Confident	79.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-55.6	-33.7	173.7	-28.6	37.4	0	0	0	114.3	K337 Q338 F341 L438 I439 E440 N459	K337-P436 HydrophobicContact CD-CB 4.25Å; K337-P436 HydrophobicContact CG-CB 4.33Å; K337-P436 HydrophobicContact CG-CG 4.48Å; Q338-P436 HydrophobicContact CG-CG 3.47Å; Q338-P436 VanDerWaalsContact CG-CG 3.47Å; F341-P436 HydrophobicContact CD2-CB 4.13Å; F341-P436 HydrophobicContact CE2-CB 4.03Å; P436-L438 PolarHBondContact O-N 3.15Å; P436-L438 VanDerWaalsContact O-N 3.12Å; P436-I439 WeakPolarHBondContact O-CB 3.41Å; P436-I439 PolarHBondContact O-N 3.19Å; P436-E440 PolarHBondContact O-N 3.37Å; P436-E440 VanDerWaalsContact O-N 3.08Å; P436-N459 HydrophobicContact CG-CB 4.45Å; P436-N459 VanDerWaalsContact CG-O 3.28Å; P436-N459 WeakPolarHBondContact CG-O 3.33Å
437	Y	84.8	Confident	78.1	Confident	8 Å²	8	28.7 Å²	28.7	3%	0.031	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-69.1	-8.6	-178.6	-56.8	-4	0	0	0	114	H435 I439 E440 Y441 P442 L456 N459	H435-Y437 AromaticContact CE1-CD1 3.58Å; H435-Y437 AromaticContact CE1-CD2 3.47Å; H435-Y437 VanDerWaalsContact CE1-CD2 3.47Å; H435-Y437 WeakPolarHBondContact CE1-CD2 3.22Å; H435-Y437 AromaticContact CE1-CE2 3.95Å; H435-Y437 AromaticContact CE1-CG 3.25Å; H435-Y437 WeakPolarHBondContact ND1-CB 3.47Å; H435-Y437 AromaticContact ND1-CD1 3.89Å; H435-Y437 AromaticContact ND1-CD2 3.92Å; H435-Y437 AromaticContact ND1-CG 3.39Å; H435-Y437 PolarHBondContact ND1-N 2.91Å; H435-Y437 PolarHBondContact O-N 3.49Å; Y437-I439 PolarHBondContact O-N 3.2Å; Y437-E440 VanDerWaalsContact CA-O 3.31Å; Y437-E440 WeakPolarHBondContact CA-O 2.72Å; Y437-E440 WeakPolarHBondContact CD1-O 3.46Å; Y437-Y441 HydrophobicContact CD2-CD1 4.16Å; Y437-Y441 AromaticContact CD2-CE1 3.91Å; Y437-Y441 HydrophobicContact CD2-CE1 3.91Å; Y437-Y441 HydrophobicContact CE2-CE1 4.49Å; Y437-Y441 HydrophobicContact CG-CD1 4.5Å; Y437-P442 HydrophobicContact CD1-CG 4.29Å; Y437-P442 HydrophobicContact CD2-CG 4.26Å; Y437-P442 HydrophobicContact CE1-CG 3.84Å; Y437-P442 HydrophobicContact CE2-CG 3.77Å; Y437-L456 HydrophobicContact CD2-CD1 3.47Å; Y437-L456 VanDerWaalsContact CD2-CD1 3.47Å; Y437-L456 HydrophobicContact CE2-CB 4.13Å; Y437-L456 HydrophobicContact CE2-CD1 3.49Å; Y437-L456 VanDerWaalsContact CE2-CD1 3.49Å; Y437-L456 HydrophobicContact CE2-CG 4.44Å; Y437-L456 PolarHBondContact OH-N 3.23Å; Y437-N459 HydrophobicContact CE1-CB 4.38Å; Y437-N459 PolarHBondContact OH-ND2 3.48Å; Y437-N459 VanDerWaalsContact OH-ND2 3.12Å
438	L	82.2	Confident	76.8	Confident	11 Å²	11	31 Å²	31	6%	0.058	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-72.9	-12.7	167.7	-67.6	172.2	0	0	0	113.3	K431 N434 H435 P436 M486 S488 M489 I492	K431-L438 HydrophobicContact CB-CB 4Å; K431-L438 HydrophobicContact CB-CD1 4.34Å; K431-L438 HydrophobicContact CD-CB 4.36Å; K431-L438 HydrophobicContact CG-CB 4.18Å; K431-L438 HydrophobicContact CG-CD1 4.44Å; K431-L438 PolarHBondContact NZ-O 3.49Å; N434-L438 HydrophobicContact CB-CD1 3.75Å; H435-L438 HydrophobicContact CB-CD1 4.31Å; H435-L438 HydrophobicContact CB-CG 4.25Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 3.15Å; H435-L438 VanDerWaalsContact O-N 3.15Å; P436-L438 PolarHBondContact O-N 3.15Å; P436-L438 VanDerWaalsContact O-N 3.12Å; L438-M486 HydrophobicContact CD1-SD 4.09Å; L438-S488 VanDerWaalsContact CD2-OG 3.22Å; L438-S488 WeakPolarHBondContact CD2-OG 3.14Å; L438-M489 HydrophobicContact CD1-CB 4.42Å; L438-M489 HydrophobicContact CD1-SD 4.12Å; L438-M489 HydrophobicContact CD2-CB 4.48Å; L438-I492 HydrophobicContact CD2-CD1 3.54Å; L438-I492 HydrophobicContact CG-CD1 3.68Å
439	I	77.8	Confident	75.7	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-51	179.3	-58.7	176.8	0	0	0	109.5	I345 F354 V418 N419 L420 K431 C432 P436 Y437	I345-I439 HydrophobicContact CD1-CD1 4.02Å; F354-I439 HydrophobicContact CE2-CG2 4.35Å; F354-I439 HydrophobicContact CZ-CG2 4.23Å; V418-I439 CarbonylContact C-O 3.53Å; V418-I439 WeakPolarHBondContact CA-O 3.34Å; N419-I439 PolarHBondContact N-O 3.45Å; L420-I439 HydrophobicContact CD2-CG2 3.57Å; L420-I439 HydrophobicContact CG-CG2 4.21Å; K431-I439 HydrophobicContact CB-CG1 4.21Å; C432-I439 HydrophobicContact CB-CD1 3.94Å; P436-I439 WeakPolarHBondContact O-CB 3.41Å; P436-I439 PolarHBondContact O-N 3.19Å; Y437-I439 PolarHBondContact O-N 3.2Å
440	E	74.1	Confident	74.6	Confident	36 Å²	36	41.3 Å²	41.3	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	102.2	-179.1	177.8	-166.4	-131.7	0	0	108.8	K337 F341 F354 E417 V418 P436 Y437	K337-E440 WeakPolarHBondContact CE-OE2 3.32Å; K337-E440 IonicContact NZ-OE2 2.95Å; K337-E440 PolarHBondContact NZ-OE2 3.39Å; F341-E440 HydrophobicContact CZ-CB 4.44Å; F341-E440 WeakPolarHBondContact CZ-OE2 3.39Å; F354-E440 HydrophobicContact CE1-CB 4.19Å; F354-E440 HydrophobicContact CE1-CG 4.29Å; F354-E440 HydrophobicContact CZ-CB 4.31Å; E417-E440 WeakPolarHBondContact O-CA 3.21Å; V418-E440 HydrophobicContact CG2-CG 4.33Å; P436-E440 PolarHBondContact O-N 3.37Å; P436-E440 VanDerWaalsContact O-N 3.08Å; Y437-E440 VanDerWaalsContact CA-O 3.31Å; Y437-E440 WeakPolarHBondContact CA-O 2.72Å; Y437-E440 WeakPolarHBondContact CD1-O 3.46Å
441	Y	74.1	Confident	73.5	Confident	23 Å²	23	43.6 Å²	43.6	9%	0.09	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.3	176.9	-151.2	-50	0	0	0	108.7	S416 E417 Y437 F450 I492 D495	S416-Y441 CarbonylContact C-O 3.55Å; S416-Y441 VanDerWaalsContact CA-O 3.29Å; S416-Y441 WeakPolarHBondContact CA-O 3.38Å; E417-Y441 PolarHBondContact N-O 3.1Å; E417-Y441 PolarHBondContact O-N 3.39Å; Y437-Y441 HydrophobicContact CD2-CD1 4.16Å; Y437-Y441 AromaticContact CD2-CE1 3.91Å; Y437-Y441 HydrophobicContact CD2-CE1 3.91Å; Y437-Y441 HydrophobicContact CE2-CE1 4.49Å; Y437-Y441 HydrophobicContact CG-CD1 4.5Å; Y441-F450 HydrophobicContact CD1-CB 4.12Å; Y441-F450 AromaticContact CD1-CD1 3.32Å; Y441-F450 HydrophobicContact CD1-CD1 3.32Å; Y441-F450 HydrophobicContact CD1-CE1 4.08Å; Y441-F450 HydrophobicContact CD1-CG 4.03Å; Y441-F450 HydrophobicContact CD2-CD1 4.01Å; Y441-F450 HydrophobicContact CD2-CE1 4.15Å; Y441-F450 HydrophobicContact CE1-CB 3.53Å; Y441-F450 AromaticContact CE1-CD1 3.61Å; Y441-F450 HydrophobicContact CE1-CD1 3.61Å; Y441-F450 AromaticContact CE1-CG 3.82Å; Y441-F450 HydrophobicContact CE1-CG 3.82Å; Y441-F450 HydrophobicContact CE2-CD1 4.2Å; Y441-F450 HydrophobicContact CE2-CG 4.36Å; Y441-F450 AromaticContact CG-CD1 3.58Å; Y441-F450 HydrophobicContact CG-CD1 3.58Å; Y441-F450 AromaticContact CG-CE1 3.86Å; Y441-F450 HydrophobicContact CG-CE1 3.86Å; Y441-F450 HydrophobicContact CG-CG 4.47Å; Y441-F450 AromaticContact CZ-CG 3.96Å; Y441-I492 HydrophobicContact CE2-CG1 4.03Å; Y441-D495 PolarHBondContact OH-OD2 3.33Å
442	P	69.5	Low	72.6	Confident	23 Å²	23	44.9 Å²	44.9	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.2	177	28	-33.5	0	0	0	111.1	Y437 K451	Y437-P442 HydrophobicContact CD1-CG 4.29Å; Y437-P442 HydrophobicContact CD2-CG 4.26Å; Y437-P442 HydrophobicContact CE1-CG 3.84Å; Y437-P442 HydrophobicContact CE2-CG 3.77Å; P442-K451 PolarHBondContact O-N 2.98Å; P442-K451 VanDerWaalsContact O-N 3.1Å
443	I	69.1	Low	71.9	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.082	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-112.5	139.2	178.3	-64.9	172.2	0	0	0	107.5	E415 E417 P445 F450	E415-I443 PolarHBondContact O-N 3.25Å; E417-I443 HydrophobicContact CB-CD1 3.82Å; E417-I443 HydrophobicContact CG-CD1 3.54Å; I443-P445 WeakPolarHBondContact O-CD 3.39Å; I443-F450 HydrophobicContact CG1-CD1 4.23Å; I443-F450 HydrophobicContact CG1-CE1 4.4Å
444	D	61.3	Low	71.6	Confident	56 Å²	56	52.9 Å²	52.9	30%	0.299	27%	0.271	S	S	.	.			trans	-68.7	122.1	172.1	-170.2	-32.6	0	0	0	109.1	V446 T447 Q448 E449	D444-V446 PolarHBondContact O-N 3.43Å; D444-V446 PolarHBondContact OD1-N 3.13Å; D444-T447 WeakPolarHBondContact CB-OG1 3.47Å; D444-T447 PolarHBondContact O-N 3.1Å; D444-Q448 WeakPolarHBondContact O-CA 3.44Å; D444-Q448 PolarHBondContact O-N 3.32Å; D444-E449 PolarHBondContact N-O 3.05Å
445	P	56.9	Low	71.2	Confident	68 Å²	68	57.5 Å²	57.5	44%	0.442	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	-177.3	-24	33.1	0	0	0	113.8	E415 I443	E415-P445 HydrophobicContact CG-CG 4.12Å; I443-P445 WeakPolarHBondContact O-CD 3.39Å
446	V	52.8	Low	70.9	Confident	130 Å²	130	57.5 Å²	57.5	79%	0.788	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-45.4	-174.4	-176.1	0	0	0	0	112.2	D444	D444-V446 PolarHBondContact O-N 3.43Å; D444-V446 PolarHBondContact OD1-N 3.13Å
447	T	58.3	Low	70.8	Confident	76 Å²	76	57.6 Å²	57.6	47%	0.466	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-15	-176.3	60.1	0	0	0	0	113.3	D444 E449	D444-T447 WeakPolarHBondContact CB-OG1 3.47Å; D444-T447 PolarHBondContact O-N 3.1Å; T447-E449 PolarHBondContact O-N 3.5Å; T447-E449 VanDerWaalsContact O-N 3.09Å; T447-E449 PolarHBondContact OG1-N 3.05Å
448	Q	56.9	Low	70.9	Confident	124 Å²	124	60.9 Å²	60.9	58%	0.579	31%	0.314	S	S	*	.			trans	56	16.7	-170.9	-65.8	-74	-54.9	0	0	113.1	D444	D444-Q448 WeakPolarHBondContact O-CA 3.44Å; D444-Q448 PolarHBondContact O-N 3.32Å
449	E	61.3	Low	71.1	Confident	140 Å²	140	61.8 Å²	61.8	65%	0.654	32%	0.319	S	S	*	.	S	Bend	trans	-95.8	156.7	174.2	-66.8	-175.8	161.3	0	0	110.3	D444 T447 K451	D444-E449 PolarHBondContact N-O 3.05Å; T447-E449 PolarHBondContact O-N 3.5Å; T447-E449 VanDerWaalsContact O-N 3.09Å; T447-E449 PolarHBondContact OG1-N 3.05Å; E449-K451 PolarHBondContact O-N 3.43Å
450	F	65.3	Low	71.6	Confident	97 Å²	97	61.7 Å²	61.7	43%	0.425	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-60.6	127.6	176	-68.3	-57.2	0	0	0	110.5	Y441 I443 I452	Y441-F450 HydrophobicContact CD1-CB 4.12Å; Y441-F450 AromaticContact CD1-CD1 3.32Å; Y441-F450 HydrophobicContact CD1-CD1 3.32Å; Y441-F450 HydrophobicContact CD1-CE1 4.08Å; Y441-F450 HydrophobicContact CD1-CG 4.03Å; Y441-F450 HydrophobicContact CD2-CD1 4.01Å; Y441-F450 HydrophobicContact CD2-CE1 4.15Å; Y441-F450 HydrophobicContact CE1-CB 3.53Å; Y441-F450 AromaticContact CE1-CD1 3.61Å; Y441-F450 HydrophobicContact CE1-CD1 3.61Å; Y441-F450 AromaticContact CE1-CG 3.82Å; Y441-F450 HydrophobicContact CE1-CG 3.82Å; Y441-F450 HydrophobicContact CE2-CD1 4.2Å; Y441-F450 HydrophobicContact CE2-CG 4.36Å; Y441-F450 AromaticContact CG-CD1 3.58Å; Y441-F450 HydrophobicContact CG-CD1 3.58Å; Y441-F450 AromaticContact CG-CE1 3.86Å; Y441-F450 HydrophobicContact CG-CE1 3.86Å; Y441-F450 HydrophobicContact CG-CG 4.47Å; Y441-F450 AromaticContact CZ-CG 3.96Å; I443-F450 HydrophobicContact CG1-CD1 4.23Å; I443-F450 HydrophobicContact CG1-CE1 4.4Å; F450-I452 PolarHBondContact O-N 3.09Å
451	K	66.2	Low	72.2	Confident	71 Å²	71	60 Å²	60	31%	0.309	31%	0.312	S	S	.	.			trans	-77.9	105.8	-177	-173.9	172	171.6	180	0	110.7	P442 E449 D453	P442-K451 PolarHBondContact O-N 2.98Å; P442-K451 VanDerWaalsContact O-N 3.1Å; E449-K451 PolarHBondContact O-N 3.43Å; K451-D453 VanDerWaalsContact CE-CG 3.43Å; K451-D453 WeakPolarHBondContact CE-OD2 3.38Å; K451-D453 IonicContact NZ-OD2 3.64Å; K451-D453 PolarHBondContact NZ-OD2 3.5Å; K451-D453 PolarHBondContact O-N 2.95Å
452	I	68.8	Low	72.9	Confident	63 Å²	63	59 Å²	59	32%	0.323	31%	0.307	S	S	.	.			trans	-97.1	81.1	-179.8	-50.4	176.2	0	0	0	109.8	F450 D495 L499	F450-I452 PolarHBondContact O-N 3.09Å; I452-D495 HydrophobicContact CD1-CB 3.97Å; I452-D495 HydrophobicContact CG1-CB 4.23Å; I452-D495 HydrophobicContact CG2-CB 4.42Å; I452-L499 HydrophobicContact CG2-CB 3.96Å; I452-L499 HydrophobicContact CG2-CD1 4.27Å; I452-L499 HydrophobicContact CG2-CD2 4.44Å; I452-L499 HydrophobicContact CG2-CG 4.45Å
453	D	75.5	Confident	73.9	Confident	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.3	S	S	.	.	S	Bend	trans	-113.4	170.1	178.6	-76.1	11.2	0	0	0	111.8	K451 E455 L456	K451-D453 VanDerWaalsContact CE-CG 3.43Å; K451-D453 WeakPolarHBondContact CE-OD2 3.38Å; K451-D453 IonicContact NZ-OD2 3.64Å; K451-D453 PolarHBondContact NZ-OD2 3.5Å; K451-D453 PolarHBondContact O-N 2.95Å; D453-E455 HydrophobicContact CB-CB 4.37Å; D453-E455 PolarHBondContact O-N 2.74Å; D453-L456 WeakPolarHBondContact O-CB 3.42Å; D453-L456 PolarHBondContact O-N 3.44Å
454	E	82.3	Confident	74.8	Confident	100 Å²	100	59.6 Å²	59.6	47%	0.467	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.4	168.8	-69.4	-67.7	166.5	0	0	113.4	L456 V457 T458 R500	E454-L456 PolarHBondContact O-N 3.11Å; E454-V457 PolarHBondContact O-N 2.61Å; E454-V457 VanDerWaalsContact O-N 3.11Å; E454-T458 PolarHBondContact O-N 2.78Å; E454-T458 VanDerWaalsContact O-N 3.12Å; E454-T458 PolarHBondContact O-OG1 2.81Å; E454-R500 IonicContact OE1-CZ 2.73Å; E454-R500 IonicContact OE1-NH1 3.63Å; E454-R500 PolarHBondContact OE1-NH1 3.28Å; E454-R500 IonicContact OE1-NH2 3.19Å; E454-R500 PolarHBondContact OE1-NH2 3.43Å; E454-R500 IonicContact OE2-CZ 3.4Å; E454-R500 IonicContact OE2-NH1 3.81Å; E454-R500 PolarHBondContact OE2-NH1 3.49Å; E454-R500 IonicContact OE2-NH2 3.57Å; E454-R500 PolarHBondContact OE2-NH2 3.02Å
455	E	81.3	Confident	76.1	Confident	97 Å²	97	57 Å²	57	45%	0.453	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-31	170.6	-68.2	-167.8	174	0	0	112.7	D453 V457 T458 N459	D453-E455 HydrophobicContact CB-CB 4.37Å; D453-E455 PolarHBondContact O-N 2.74Å; E455-V457 VanDerWaalsContact C-N 3.27Å; E455-V457 PolarHBondContact O-N 3.46Å; E455-T458 WeakPolarHBondContact CA-OG1 3.23Å; E455-T458 PolarHBondContact O-N 3.21Å; E455-T458 PolarHBondContact O-OG1 2.62Å; E455-N459 WeakPolarHBondContact O-CB 3.29Å; E455-N459 PolarHBondContact O-N 2.8Å; E455-N459 PolarHBondContact O-ND2 3.42Å
456	L	83.2	Confident	77.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-43.5	174	-179.6	66.5	0	0	0	111.3	H435 Y437 D453 E454 I492 D495	H435-L456 PolarHBondContact NE2-O 2.82Å; Y437-L456 HydrophobicContact CD2-CD1 3.47Å; Y437-L456 VanDerWaalsContact CD2-CD1 3.47Å; Y437-L456 HydrophobicContact CE2-CB 4.13Å; Y437-L456 HydrophobicContact CE2-CD1 3.49Å; Y437-L456 VanDerWaalsContact CE2-CD1 3.49Å; Y437-L456 HydrophobicContact CE2-CG 4.44Å; Y437-L456 PolarHBondContact OH-N 3.23Å; D453-L456 WeakPolarHBondContact O-CB 3.42Å; D453-L456 PolarHBondContact O-N 3.44Å; E454-L456 PolarHBondContact O-N 3.11Å; L456-I492 HydrophobicContact CD1-CG2 3.68Å; L456-D495 HydrophobicContact CD2-CB 4.46Å
457	V	84.9	Confident	79.4	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-78.2	-45.1	-177.3	-176.5	0	0	0	0	110.8	E454 E455 N459 S460 F463 L464 D467 Y496 L499	E454-V457 PolarHBondContact O-N 2.61Å; E454-V457 VanDerWaalsContact O-N 3.11Å; E455-V457 VanDerWaalsContact C-N 3.27Å; E455-V457 PolarHBondContact O-N 3.46Å; V457-N459 VanDerWaalsContact C-N 3.32Å; V457-N459 PolarHBondContact O-N 2.96Å; V457-S460 PolarHBondContact O-N 2.99Å; V457-F463 HydrophobicContact CG1-CB 4.36Å; V457-L464 HydrophobicContact CG1-CD2 4.23Å; V457-D467 HydrophobicContact CG1-CB 3.71Å; V457-Y496 HydrophobicContact CG2-CD2 3.79Å; V457-Y496 HydrophobicContact CG2-CE2 3.68Å; V457-L499 HydrophobicContact CG2-CD2 4.47Å
458	T	86.4	Confident	80.8	Confident	76 Å²	76	50.6 Å²	50.6	47%	0.466	24%	0.243	S	C	.	.	H	α-helix	trans	-69.5	-28.1	-175.4	56.3	0	0	0	0	113.6	E454 E455 S460	E454-T458 PolarHBondContact O-N 2.78Å; E454-T458 VanDerWaalsContact O-N 3.12Å; E454-T458 PolarHBondContact O-OG1 2.81Å; E455-T458 WeakPolarHBondContact CA-OG1 3.23Å; E455-T458 PolarHBondContact O-N 3.21Å; E455-T458 PolarHBondContact O-OG1 2.62Å; T458-S460 VanDerWaalsContact C-N 3.28Å; T458-S460 PolarHBondContact O-N 3.25Å
459	N	86.6	Confident	82.3	Confident	30 Å²	30	44.7 Å²	44.7	16%	0.16	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7	-179.8	-76.8	-38.4	0	0	0	114.2	S335 P436 Y437 E455 V457	S335-N459 VanDerWaalsContact CB-O 3.27Å; S335-N459 WeakPolarHBondContact CB-O 3.24Å; S335-N459 PolarHBondContact OG-O 3.49Å; P436-N459 HydrophobicContact CG-CB 4.45Å; P436-N459 VanDerWaalsContact CG-O 3.28Å; P436-N459 WeakPolarHBondContact CG-O 3.33Å; Y437-N459 HydrophobicContact CE1-CB 4.38Å; Y437-N459 PolarHBondContact OH-ND2 3.48Å; Y437-N459 VanDerWaalsContact OH-ND2 3.12Å; E455-N459 WeakPolarHBondContact O-CB 3.29Å; E455-N459 PolarHBondContact O-N 2.8Å; E455-N459 PolarHBondContact O-ND2 3.42Å; V457-N459 VanDerWaalsContact C-N 3.32Å; V457-N459 PolarHBondContact O-N 2.96Å
460	S	88.6	Confident	83.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.			trans	-133.2	125.6	176	178	0	0	0	0	112.9	Q338 N434 H435 V457 T458 K462 F463 L464	Q338-S460 PolarHBondContact NE2-OG 3.33Å; N434-S460 PolarHBondContact O-OG 3.19Å; H435-S460 WeakPolarHBondContact CD2-CB 3.32Å; V457-S460 PolarHBondContact O-N 2.99Å; T458-S460 VanDerWaalsContact C-N 3.28Å; T458-S460 PolarHBondContact O-N 3.25Å; S460-K462 VanDerWaalsContact C-N 3.26Å; S460-K462 PolarHBondContact O-N 2.91Å; S460-F463 PolarHBondContact O-N 3.47Å; S460-F463 VanDerWaalsContact O-N 3.12Å; S460-L464 PolarHBondContact O-N 2.95Å
461	G	86.6	Confident	84.9	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-28.6	178.4	0	0	0	0	0	114.2	P333 I465	P333-G461 WeakPolarHBondContact O-CA 3.41Å; G461-I465 PolarHBondContact O-N 3.12Å
462	K	89.6	Confident	85.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-39.2	173.5	-69.3	-174.1	-173.8	-176	0	111.4	A332 C433 N434 S460 I465 L466 Y554 L584 T586 D591	A332-K462 HydrophobicContact CB-CG 3.92Å; C433-K462 WeakPolarHBondContact O-CE 3.49Å; N434-K462 PolarHBondContact OD1-NZ 3.02Å; S460-K462 VanDerWaalsContact C-N 3.26Å; S460-K462 PolarHBondContact O-N 2.91Å; K462-I465 PolarHBondContact O-N 2.91Å; K462-L466 WeakPolarHBondContact O-CG 3.46Å; K462-L466 PolarHBondContact O-N 2.93Å; K462-Y554 HydrophobicContact CB-CE2 3.75Å; K462-Y554 VanDerWaalsContact CB-OH 3.31Å; K462-Y554 WeakPolarHBondContact CB-OH 3.25Å; K462-Y554 HydrophobicContact CD-CD1 4.39Å; K462-Y554 HydrophobicContact CD-CE1 3.83Å; K462-Y554 HydrophobicContact CD-CE2 4.11Å; K462-Y554 PolarHBondContact NZ-O 3.4Å; K462-L584 HydrophobicContact CB-CD1 4.41Å; K462-L584 HydrophobicContact CD-CB 4.4Å; K462-T586 HydrophobicContact CD-CG2 4.44Å; K462-T586 HydrophobicContact CG-CG2 4.1Å; K462-D591 WeakPolarHBondContact CE-OD2 3.29Å; K462-D591 IonicContact NZ-OD2 3.8Å; K462-D591 PolarHBondContact NZ-OD2 3.43Å
463	F	90.4	Very high	86.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-38.5	175.6	-89.8	-92.4	0	0	0	112.2	H435 V457 S460 I465 L466 D467 M489 I492 L493 Y496 Y554	H435-F463 HydrophobicContact CB-CE2 4.45Å; H435-F463 AromaticContact CD2-CD2 3.42Å; H435-F463 VanDerWaalsContact CD2-CD2 3.42Å; H435-F463 WeakPolarHBondContact CD2-CD2 3.5Å; H435-F463 AromaticContact CD2-CE2 3.33Å; H435-F463 WeakPolarHBondContact CD2-CE2 3.07Å; V457-F463 HydrophobicContact CG1-CB 4.36Å; S460-F463 PolarHBondContact O-N 3.47Å; S460-F463 VanDerWaalsContact O-N 3.12Å; F463-I465 PolarHBondContact O-N 3.15Å; F463-L466 PolarHBondContact O-N 3.24Å; F463-L466 VanDerWaalsContact O-N 3.13Å; F463-D467 WeakPolarHBondContact O-CB 3.48Å; F463-D467 PolarHBondContact O-N 2.88Å; F463-M489 HydrophobicContact CD2-CE 4.34Å; F463-M489 HydrophobicContact CE2-CE 3.24Å; F463-M489 HydrophobicContact CZ-CE 3.5Å; F463-I492 HydrophobicContact CE2-CG2 4.19Å; F463-I492 HydrophobicContact CZ-CG2 3.81Å; F463-L493 HydrophobicContact CE1-CD2 3.81Å; F463-L493 HydrophobicContact CZ-CD2 3.67Å; F463-L493 HydrophobicContact CZ-CG 4.23Å; F463-Y496 AromaticContact CD1-CD2 3.85Å; F463-Y496 HydrophobicContact CD1-CD2 3.85Å; F463-Y496 HydrophobicContact CD1-CE2 4.33Å; F463-Y496 AromaticContact CD1-CG 3.96Å; F463-Y496 HydrophobicContact CD1-CG 3.96Å; F463-Y496 HydrophobicContact CE1-CD1 4.18Å; F463-Y496 AromaticContact CE1-CD2 3.97Å; F463-Y496 HydrophobicContact CE1-CD2 3.97Å; F463-Y496 AromaticContact CE1-CG 3.63Å; F463-Y496 HydrophobicContact CE1-CG 3.63Å; F463-Y554 WeakPolarHBondContact CD2-OH 3.25Å; F463-Y554 WeakPolarHBondContact CE2-OH 3.49Å
464	L	88.3	Confident	87.5	Confident	52 Å²	52	33.4 Å²	33.4	27%	0.272	16%	0.163	S	C	.	.	H	α-helix	trans	-56.1	-36.3	173.4	-73	170.7	0	0	0	112.5	V457 S460 V653	V457-L464 HydrophobicContact CG1-CD2 4.23Å; S460-L464 PolarHBondContact O-N 2.95Å; L464-V653 HydrophobicContact CB-CG1 4.06Å; L464-V653 HydrophobicContact CB-CG2 4.48Å; L464-V653 HydrophobicContact CD1-CG2 4.25Å
465	I	88.1	Confident	87.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-74.1	-45.5	175.7	-68.1	176.2	0	0	0	111	V330 A332 G461 K462 F463 D467 R468 M469 L584 V653 I654	V330-I465 HydrophobicContact CG1-CD1 4.09Å; V330-I465 HydrophobicContact CG1-CG2 3.95Å; A332-I465 VanDerWaalsContact CA-CD1 3.5Å; A332-I465 HydrophobicContact CB-CD1 3.6Å; G461-I465 PolarHBondContact O-N 3.12Å; K462-I465 PolarHBondContact O-N 2.91Å; F463-I465 PolarHBondContact O-N 3.15Å; I465-D467 VanDerWaalsContact C-N 3.29Å; I465-D467 PolarHBondContact O-N 2.96Å; I465-R468 PolarHBondContact O-N 3.19Å; I465-M469 HydrophobicContact CG2-CG 4.29Å; I465-M469 HydrophobicContact CG2-SD 3.72Å; I465-M469 WeakPolarHBondContact O-CG 3.41Å; I465-M469 PolarHBondContact O-N 2.85Å; I465-L584 HydrophobicContact CG2-CD2 4.18Å; I465-V653 HydrophobicContact CD1-CG1 4.33Å; I465-V653 HydrophobicContact CG1-CG1 3.49Å; I465-V653 VanDerWaalsContact CG1-CG1 3.49Å; I465-I654 HydrophobicContact CD1-CD1 4.26Å; I465-I654 HydrophobicContact CG1-CD1 4.1Å; I465-I654 HydrophobicContact CG2-CD1 4.16Å
466	L	89.6	Confident	88	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-42.1	176.6	-75.9	179.3	0	0	0	112.2	K462 F463 R468 M469 L470 L493 I552 Y554 L584	K462-L466 WeakPolarHBondContact O-CG 3.46Å; K462-L466 PolarHBondContact O-N 2.93Å; F463-L466 PolarHBondContact O-N 3.24Å; F463-L466 VanDerWaalsContact O-N 3.13Å; L466-R468 PolarHBondContact O-N 3.37Å; L466-M469 PolarHBondContact O-N 3.49Å; L466-M469 VanDerWaalsContact O-N 3.16Å; L466-L470 HydrophobicContact CB-CD1 4.24Å; L466-L470 WeakPolarHBondContact O-CB 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.41Å; L466-L470 PolarHBondContact O-N 3.22Å; L466-L493 HydrophobicContact CD1-CD2 4.11Å; L466-I552 HydrophobicContact CD2-CD1 3.97Å; L466-I552 HydrophobicContact CD2-CG2 4.1Å; L466-Y554 HydrophobicContact CD1-CD2 3.77Å; L466-Y554 HydrophobicContact CD1-CE2 3.53Å; L466-Y554 HydrophobicContact CG-CE2 4.46Å; L466-L584 HydrophobicContact CD1-CD1 4.46Å; L466-L584 HydrophobicContact CD2-CD1 3.91Å; L466-L584 HydrophobicContact CG-CD1 3.96Å
467	D	89.7	Confident	88.2	Confident	37 Å²	37	39.6 Å²	39.6	20%	0.198	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-25.8	-177.8	-161.1	51.7	0	0	0	113	V457 F463 I465 P471 Y496 R500	V457-D467 HydrophobicContact CG1-CB 3.71Å; F463-D467 WeakPolarHBondContact O-CB 3.48Å; F463-D467 PolarHBondContact O-N 2.88Å; I465-D467 VanDerWaalsContact C-N 3.29Å; I465-D467 PolarHBondContact O-N 2.96Å; D467-P471 WeakPolarHBondContact O-CD 3.48Å; D467-P471 WeakPolarHBondContact O-CG 3.42Å; D467-Y496 VanDerWaalsContact CA-OH 3.27Å; D467-Y496 WeakPolarHBondContact CA-OH 3.26Å; D467-Y496 HydrophobicContact CB-CE2 4.4Å; D467-Y496 WeakPolarHBondContact OD1-CE2 3.15Å; D467-Y496 PolarHBondContact OD1-OH 2.86Å; D467-R500 IonicContact OD1-CZ 3.7Å; D467-R500 IonicContact OD1-NE 2.73Å; D467-R500 PolarHBondContact OD1-NE 3.29Å; D467-R500 IonicContact OD1-NH2 2.74Å; D467-R500 PolarHBondContact OD1-NH2 2.83Å; D467-R500 IonicContact OD2-CZ 2.93Å; D467-R500 IonicContact OD2-NE 3.02Å; D467-R500 IonicContact OD2-NH2 3.86Å; D467-R500 PolarHBondContact OD2-NH2 2.97Å
468	R	87.3	Confident	88.4	Confident	104 Å²	104	40.9 Å²	40.9	39%	0.392	20%	0.204	S	C	.	.	H	α-helix	trans	-82.7	-40.9	170.5	-68.3	-171.1	177.2	-165.4	-3.7	112.7	I465 L466 I654 L659	I465-R468 PolarHBondContact O-N 3.19Å; L466-R468 PolarHBondContact O-N 3.37Å; R468-I654 PolarHBondContact NH1-O 2.79Å; R468-L659 HydrophobicContact CB-CD2 4.06Å
469	M	88.4	Confident	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-73.3	-43.7	-175.3	-74.7	-177.4	57.1	0	0	113.6	I465 L466 E472 L473 Y582 L659 L662 L663	I465-M469 HydrophobicContact CG2-CG 4.29Å; I465-M469 HydrophobicContact CG2-SD 3.72Å; I465-M469 WeakPolarHBondContact O-CG 3.41Å; I465-M469 PolarHBondContact O-N 2.85Å; L466-M469 PolarHBondContact O-N 3.49Å; L466-M469 VanDerWaalsContact O-N 3.16Å; M469-E472 PolarHBondContact O-N 3.5Å; M469-L473 WeakPolarHBondContact O-CB 3.31Å; M469-L473 VanDerWaalsContact O-CG 3.3Å; M469-L473 WeakPolarHBondContact O-CG 3.49Å; M469-L473 PolarHBondContact O-N 3.21Å; M469-Y582 HydrophobicContact CE-CD1 3.93Å; M469-Y582 HydrophobicContact CE-CD2 3.61Å; M469-Y582 HydrophobicContact CE-CE1 4.16Å; M469-Y582 HydrophobicContact CE-CE2 3.81Å; M469-Y582 HydrophobicContact CE-CG 3.66Å; M469-L659 HydrophobicContact CG-CD1 3.77Å; M469-L662 HydrophobicContact CE-CD2 3.93Å; M469-L662 HydrophobicContact SD-CD2 4.22Å; M469-L663 HydrophobicContact CE-CD2 4.31Å
470	L	90.4	Very high	88.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-44.4	-171.2	-70.6	172.1	0	0	0	113.5	L466 E472 L473 K474 V480 Y496 F502 F530 I531 I552	L466-L470 HydrophobicContact CB-CD1 4.24Å; L466-L470 WeakPolarHBondContact O-CB 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.41Å; L466-L470 PolarHBondContact O-N 3.22Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.93Å; L470-L473 PolarHBondContact O-N 3.07Å; L470-K474 PolarHBondContact O-N 3.49Å; L470-V480 HydrophobicContact CD2-CG1 4.28Å; L470-V480 HydrophobicContact CD2-CG2 4.38Å; L470-Y496 HydrophobicContact CD1-CE1 3.71Å; L470-F502 HydrophobicContact CB-CE2 4.26Å; L470-F502 HydrophobicContact CB-CZ 4.39Å; L470-F530 HydrophobicContact CB-CE1 4.31Å; L470-F530 HydrophobicContact CD2-CE1 4.12Å; L470-F530 HydrophobicContact CD2-CZ 4.23Å; L470-F530 WeakPolarHBondContact O-CZ 3.27Å; L470-I531 HydrophobicContact CD1-CD1 4.21Å; L470-I531 HydrophobicContact CD2-CD1 4.28Å; L470-I552 HydrophobicContact CD2-CD1 4.17Å
471	P	90.1	Very high	89.1	Confident	43 Å²	43	37.4 Å²	37.4	28%	0.279	18%	0.181	S	C	.	.	H	α-helix	trans	-61.9	-39.3	176.3	-23.8	34.9	0	0	0	112.9	D467 K474 K475 F502	D467-P471 WeakPolarHBondContact O-CD 3.48Å; D467-P471 WeakPolarHBondContact O-CG 3.42Å; P471-K474 PolarHBondContact O-N 3.22Å; P471-K475 WeakPolarHBondContact O-CG 3.47Å; P471-K475 PolarHBondContact O-N 2.9Å; P471-F502 HydrophobicContact CG-CZ 4.34Å
472	E	87.8	Confident	89.4	Confident	56 Å²	56	37.5 Å²	37.5	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-68.7	-38.8	177.8	-67.8	-167.4	174.7	0	0	112.2	M469 L470 K474 K475 R476 L659 L663	M469-E472 PolarHBondContact O-N 3.5Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.93Å; E472-K474 VanDerWaalsContact C-N 3.34Å; E472-K474 PolarHBondContact O-N 3.33Å; E472-K475 PolarHBondContact O-N 3.13Å; E472-R476 WeakPolarHBondContact O-CG 3.34Å; E472-R476 PolarHBondContact O-N 3.47Å; E472-R476 VanDerWaalsContact O-N 3.07Å; E472-L659 HydrophobicContact CG-CD2 4.48Å; E472-L659 WeakPolarHBondContact OE1-CD2 3.17Å; E472-L659 VanDerWaalsContact OE2-CD2 3.24Å; E472-L659 WeakPolarHBondContact OE2-CD2 3.3Å; E472-L659 VanDerWaalsContact OE2-CG 3.29Å; E472-L659 WeakPolarHBondContact OE2-CG 3.38Å; E472-L663 HydrophobicContact CB-CD1 3.57Å; E472-L663 HydrophobicContact CG-CD1 4.43Å; E472-L663 WeakPolarHBondContact OE2-CD1 3.34Å
473	L	88.6	Confident	89.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-39.4	173	-74.2	168.8	0	0	0	112	M469 L470 R476 G477 H478 V480 F530 T550 L663	M469-L473 WeakPolarHBondContact O-CB 3.31Å; M469-L473 VanDerWaalsContact O-CG 3.3Å; M469-L473 WeakPolarHBondContact O-CG 3.49Å; M469-L473 PolarHBondContact O-N 3.21Å; L470-L473 PolarHBondContact O-N 3.07Å; L473-R476 PolarHBondContact O-N 3.48Å; L473-G477 PolarHBondContact O-N 3.32Å; L473-H478 HydrophobicContact CD2-CB 4.22Å; L473-H478 PolarHBondContact O-N 3.37Å; L473-H478 VanDerWaalsContact O-N 3.08Å; L473-V480 HydrophobicContact CB-CG2 4.4Å; L473-V480 HydrophobicContact CD1-CG2 4.01Å; L473-F530 HydrophobicContact CB-CE2 4.34Å; L473-F530 HydrophobicContact CB-CZ 4.06Å; L473-T550 HydrophobicContact CD1-CG2 4.15Å; L473-T550 HydrophobicContact CD2-CG2 4.28Å; L473-L663 HydrophobicContact CD1-CD2 4.43Å; L473-L663 HydrophobicContact CD2-CD2 3.76Å; L473-L663 HydrophobicContact CG-CD2 3.94Å
474	K	88.7	Confident	89.7	Confident	99 Å²	99	37.5 Å²	37.5	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-65.8	-43.9	175.6	-169.9	176.6	180	-177.2	0	111.4	L470 P471 E472 R476 G477 F502 F530	L470-K474 PolarHBondContact O-N 3.49Å; P471-K474 PolarHBondContact O-N 3.22Å; E472-K474 VanDerWaalsContact C-N 3.34Å; E472-K474 PolarHBondContact O-N 3.33Å; K474-R476 VanDerWaalsContact C-N 3.26Å; K474-R476 PolarHBondContact O-N 3.2Å; K474-G477 PolarHBondContact O-N 3.41Å; K474-F502 HydrophobicContact CD-CD1 3.82Å; K474-F502 HydrophobicContact CD-CE1 3.62Å; K474-F530 HydrophobicContact CB-CD1 4.41Å; K474-F530 HydrophobicContact CB-CD2 4.29Å; K474-F530 HydrophobicContact CB-CE1 4.08Å; K474-F530 HydrophobicContact CB-CE2 3.91Å; K474-F530 HydrophobicContact CB-CZ 3.82Å; K474-F530 HydrophobicContact CD-CD1 4.35Å; K474-F530 HydrophobicContact CG-CD1 4.48Å; K474-F530 HydrophobicContact CG-CD2 4.36Å; K474-F530 HydrophobicContact CG-CE2 4.47Å; K474-F530 HydrophobicContact CG-CG 4.39Å
475	K	88.8	Confident	89.7	Confident	185 Å²	185	36.4 Å²	36.4	80%	0.804	18%	0.175	S	C	*	.	H	α-helix	trans	-58.6	-36.5	175.1	-75.2	175.5	-177.2	177.2	0	112.5	P471 E472 G477	P471-K475 WeakPolarHBondContact O-CG 3.47Å; P471-K475 PolarHBondContact O-N 2.9Å; E472-K475 PolarHBondContact O-N 3.13Å; K475-G477 VanDerWaalsContact C-N 3.3Å
476	R	85.9	Confident	89.7	Confident	93 Å²	93	37.4 Å²	37.4	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.9	176.8	-65.9	178.4	-172	-155.1	0.1	113.8	E472 L473 K474 H478 L663	E472-R476 WeakPolarHBondContact O-CG 3.34Å; E472-R476 PolarHBondContact O-N 3.47Å; E472-R476 VanDerWaalsContact O-N 3.07Å; L473-R476 PolarHBondContact O-N 3.48Å; K474-R476 VanDerWaalsContact C-N 3.26Å; K474-R476 PolarHBondContact O-N 3.2Å; R476-H478 VanDerWaalsContact CB-CD2 3.43Å; R476-H478 WeakPolarHBondContact CB-CD2 3.42Å; R476-L663 VanDerWaalsContact NH1-CB 3.31Å; R476-L663 PolarHBondContact NH1-O 3.2Å
477	G	86.8	Confident	89.6	Confident	49 Å²	49	40.7 Å²	40.7	51%	0.505	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	28.4	177.2	0	0	0	0	0	114.6	L473 K474 K475	L473-G477 PolarHBondContact O-N 3.32Å; K474-G477 PolarHBondContact O-N 3.41Å; K475-G477 VanDerWaalsContact C-N 3.3Å
478	H	89.2	Confident	89.4	Confident	30 Å²	30	41 Å²	41	14%	0.139	21%	0.205	C	C	.	.			trans	-86.4	154.1	175.9	-63.4	-52.9	0	0	0	111.3	L473 R476 F530 D549 R665	L473-H478 HydrophobicContact CD2-CB 4.22Å; L473-H478 PolarHBondContact O-N 3.37Å; L473-H478 VanDerWaalsContact O-N 3.08Å; R476-H478 VanDerWaalsContact CB-CD2 3.43Å; R476-H478 WeakPolarHBondContact CB-CD2 3.42Å; H478-F530 WeakPolarHBondContact O-CD2 3.46Å; H478-F530 WeakPolarHBondContact O-CE2 3.21Å; H478-D549 WeakPolarHBondContact CB-OD1 3.5Å; H478-D549 IonicContact CE1-OD2 3.82Å; H478-D549 IonicContact CG-OD2 2.87Å; H478-D549 IonicContact ND1-OD1 3.93Å; H478-D549 IonicContact ND1-OD2 2.61Å; H478-D549 PolarHBondContact ND1-OD2 3.04Å; H478-R665 PolarHBondContact CD2-NH2 3.23Å; H478-R665 VanDerWaalsContact CE1-CZ 3.43Å; H478-R665 PolarHBondContact CE1-NH1 3.49Å; H478-R665 VanDerWaalsContact CE1-NH1 3.34Å; H478-R665 PolarHBondContact ND1-NH1 3.33Å
479	K	91.4	Very high	89.5	Confident	33 Å²	33	36 Å²	36	14%	0.143	19%	0.186	C	C	.	.			trans	-111.2	134	174.8	-81.9	-170	169.4	-169.1	0	109.4	F523 D526 V529 D549 T550	K479-F523 HydrophobicContact CB-CZ 4.25Å; K479-F523 HydrophobicContact CD-CE2 4.32Å; K479-F523 HydrophobicContact CD-CZ 4.29Å; K479-F523 PolarHBondContact NZ-O 3.31Å; K479-D526 PolarHBondContact NZ-O 2.87Å; K479-V529 WeakPolarHBondContact CE-O 3.33Å; K479-D549 PolarHBondContact N-OD1 3.26Å; K479-D549 PolarHBondContact O-N 2.84Å; K479-T550 PolarHBondContact O-N 3.47Å; K479-T550 VanDerWaalsContact O-N 3.15Å
480	V	92.7	Very high	89.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	-167.2	-176	0	0	0	0	111.9	L470 L473 F530 I531 F532 T550 I552	L470-V480 HydrophobicContact CD2-CG1 4.28Å; L470-V480 HydrophobicContact CD2-CG2 4.38Å; L473-V480 HydrophobicContact CB-CG2 4.4Å; L473-V480 HydrophobicContact CD1-CG2 4.01Å; V480-F530 HydrophobicContact CG2-CE2 3.73Å; V480-F530 HydrophobicContact CG2-CZ 3.73Å; V480-F530 PolarHBondContact N-O 3.19Å; V480-I531 WeakPolarHBondContact O-CA 3.15Å; V480-F532 PolarHBondContact O-N 2.94Å; V480-T550 WeakPolarHBondContact CA-O 3.42Å; V480-T550 HydrophobicContact CG2-CG2 4.39Å; V480-I552 HydrophobicContact CG1-CD1 3.67Å; V480-I552 HydrophobicContact CG1-CG1 3.88Å
481	L	93.1	Very high	89.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.5	166.8	-73.9	167.1	0	0	0	109.8	F483 F523 F532 V534 L545 A548 T550 V551 I552 C570	L481-F483 HydrophobicContact CB-CE2 3.93Å; L481-F483 HydrophobicContact CB-CZ 4.42Å; L481-F523 HydrophobicContact CD2-CE1 4.4Å; L481-F532 HydrophobicContact CD2-CB 3.77Å; L481-F532 HydrophobicContact CD2-CD1 3.64Å; L481-F532 HydrophobicContact CD2-CG 4.15Å; L481-V534 HydrophobicContact CD2-CG2 4.42Å; L481-L545 HydrophobicContact CD1-CB 4.18Å; L481-L545 HydrophobicContact CD2-CB 4.38Å; L481-L545 HydrophobicContact CD2-CD1 3.68Å; L481-A548 HydrophobicContact CD1-CB 3.43Å; L481-A548 VanDerWaalsContact CD1-CB 3.43Å; L481-A548 HydrophobicContact CD2-CB 4.38Å; L481-A548 HydrophobicContact CG-CB 3.46Å; L481-A548 VanDerWaalsContact CG-CB 3.46Å; L481-T550 PolarHBondContact N-O 2.72Å; L481-V551 HydrophobicContact CB-CG2 4.28Å; L481-V551 HydrophobicContact CD1-CG2 4.24Å; L481-V551 CarbonylContact O-C 3.54Å; L481-V551 WeakPolarHBondContact O-CA 3.33Å; L481-I552 PolarHBondContact O-N 3.41Å; L481-C570 HydrophobicContact CD1-CB 3.76Å
482	L	93.4	Very high	89.2	Confident	2 Å²	2	37 Å²	37	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.8	178.8	-163.3	167.2	0	0	0	109.7	L493 I531 F532 L533 V534 I552	L482-L493 HydrophobicContact CD1-CD1 4Å; L482-L493 HydrophobicContact CD1-CD2 3.95Å; L482-L493 HydrophobicContact CD2-CD1 3.44Å; L482-L493 VanDerWaalsContact CD2-CD1 3.44Å; L482-L493 HydrophobicContact CG-CD1 4.38Å; L482-I531 HydrophobicContact CB-CG2 4.49Å; L482-F532 PolarHBondContact N-O 3.01Å; L482-L533 HydrophobicContact CB-CD2 3.99Å; L482-L533 HydrophobicContact CD1-CD2 4.13Å; L482-L533 HydrophobicContact CG-CD2 4.43Å; L482-V534 PolarHBondContact O-N 3.47Å; L482-I552 WeakPolarHBondContact CA-O 3.36Å; L482-I552 HydrophobicContact CG-CB 4.45Å
483	F	93.1	Very high	89.3	Confident	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.1	177.5	-65.7	-78.5	0	0	0	112	L481 V534 V551 I552 Y554 A566	L481-F483 HydrophobicContact CB-CE2 3.93Å; L481-F483 HydrophobicContact CB-CZ 4.42Å; F483-V534 VanDerWaalsContact CA-O 3.28Å; F483-V534 WeakPolarHBondContact CA-O 3.21Å; F483-V534 HydrophobicContact CD1-CB 3.72Å; F483-V534 HydrophobicContact CD1-CG1 3.91Å; F483-V534 HydrophobicContact CE1-CB 3.63Å; F483-V534 HydrophobicContact CE1-CG1 3.6Å; F483-V534 HydrophobicContact CE1-CG2 4.3Å; F483-V551 HydrophobicContact CD2-CG1 3.62Å; F483-V551 HydrophobicContact CE2-CG1 3.63Å; F483-I552 PolarHBondContact N-O 2.92Å; F483-Y554 WeakPolarHBondContact O-CB 3.46Å; F483-Y554 PolarHBondContact O-N 3.19Å; F483-A566 HydrophobicContact CD1-CB 4Å; F483-A566 HydrophobicContact CD2-CB 4.23Å; F483-A566 HydrophobicContact CE1-CB 3.82Å; F483-A566 HydrophobicContact CE2-CB 4.06Å; F483-A566 HydrophobicContact CG-CB 4.2Å; F483-A566 HydrophobicContact CZ-CB 3.85Å
484	S	91.8	Very high	89.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.5	170.7	174.1	0	0	0	0	111.1	M486 M489 V534 S535 T536 D555	S484-M486 PolarHBondContact OG-N 3.33Å; S484-M486 PolarHBondContact OG-O 3.08Å; S484-M486 VanDerWaalsContact OG-O 3.13Å; S484-M489 WeakPolarHBondContact OG-CB 3.39Å; S484-V534 PolarHBondContact N-O 3.04Å; S484-V534 VanDerWaalsContact N-O 3.14Å; S484-S535 CarbonylContact O-C 3.6Å; S484-S535 WeakPolarHBondContact O-CA 3.16Å; S484-T536 PolarHBondContact O-N 3.11Å; S484-T536 PolarHBondContact O-OG1 2.83Å; S484-D555 WeakPolarHBondContact CA-OD1 3.38Å
485	Q	89.7	Confident	89	Confident	28 Å²	28	33 Å²	33	13%	0.131	17%	0.173	C	C	.	.	S	Bend	trans	-77.2	-34.3	175.1	-69.8	-77.8	-11.2	0	0	111.9	T536 D555 D557	Q485-T536 VanDerWaalsContact NE2-CB 3.34Å; Q485-D555 WeakPolarHBondContact CB-OD2 3.47Å; Q485-D555 PolarHBondContact N-OD1 3.35Å; Q485-D557 PolarHBondContact NE2-OD2 2.94Å
486	M	87.3	Confident	88.9	Confident	22 Å²	22	24.2 Å²	24.2	11%	0.108	14%	0.135	C	C	.	.			trans	-92.4	123.4	-178	-58.4	-172.8	-172.4	0	0	110.2	M427 R430 K431 L438 S484 S488 M489 L490	M427-M486 HydrophobicContact SD-CE 3.79Å; R430-M486 HydrophobicContact CB-CE 3.82Å; K431-M486 HydrophobicContact CG-CE 3.99Å; K431-M486 HydrophobicContact CG-SD 3.86Å; L438-M486 HydrophobicContact CD1-SD 4.09Å; S484-M486 PolarHBondContact OG-N 3.33Å; S484-M486 PolarHBondContact OG-O 3.08Å; S484-M486 VanDerWaalsContact OG-O 3.13Å; M486-S488 VanDerWaalsContact C-N 3.31Å; M486-S488 PolarHBondContact O-N 2.72Å; M486-M489 HydrophobicContact CB-CB 3.93Å; M486-M489 WeakPolarHBondContact O-CB 3.34Å; M486-M489 PolarHBondContact O-N 3.47Å; M486-M489 VanDerWaalsContact O-N 3.15Å; M486-L490 PolarHBondContact O-N 3.12Å
487	T	87.1	Confident	89	Confident	69 Å²	69	19.9 Å²	19.9	42%	0.423	12%	0.119	S	C	.	.	H	α-helix	trans	-65.8	-36	175.8	51.5	0	0	0	0	111.8	M489 L490 D491 D508	T487-M489 PolarHBondContact O-N 3.12Å; T487-L490 WeakPolarHBondContact O-CA 3.09Å; T487-L490 VanDerWaalsContact O-CB 3.26Å; T487-L490 WeakPolarHBondContact O-CB 3.35Å; T487-L490 PolarHBondContact O-N 3.29Å; T487-D491 PolarHBondContact O-N 3.39Å; T487-D491 VanDerWaalsContact O-N 3.15Å; T487-D508 HydrophobicContact CG2-CB 4.37Å
488	S	86.1	Confident	89	Confident	44 Å²	44	22.9 Å²	22.9	31%	0.308	12%	0.12	S	C	.	.	H	α-helix	trans	-59.9	-27.5	173.3	57.1	0	0	0	0	113.3	L438 M486 D491 I492	L438-S488 VanDerWaalsContact CD2-OG 3.22Å; L438-S488 WeakPolarHBondContact CD2-OG 3.14Å; M486-S488 VanDerWaalsContact C-N 3.31Å; M486-S488 PolarHBondContact O-N 2.72Å; S488-D491 WeakPolarHBondContact CA-OD2 3.39Å; S488-D491 PolarHBondContact O-N 3.36Å; S488-I492 WeakPolarHBondContact O-CG1 3.45Å; S488-I492 PolarHBondContact O-N 3.4Å
489	M	89.1	Confident	88.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-76.9	-30.5	174.3	-178.8	67.7	-145.1	0	0	111.4	N434 H435 L438 F463 S484 M486 T487 D491 I492 L493 Y554	N434-M489 HydrophobicContact CB-SD 4.15Å; H435-M489 HydrophobicContact CB-SD 3.95Å; L438-M489 HydrophobicContact CD1-CB 4.42Å; L438-M489 HydrophobicContact CD1-SD 4.12Å; L438-M489 HydrophobicContact CD2-CB 4.48Å; F463-M489 HydrophobicContact CD2-CE 4.34Å; F463-M489 HydrophobicContact CE2-CE 3.24Å; F463-M489 HydrophobicContact CZ-CE 3.5Å; S484-M489 WeakPolarHBondContact OG-CB 3.39Å; M486-M489 HydrophobicContact CB-CB 3.93Å; M486-M489 WeakPolarHBondContact O-CB 3.34Å; M486-M489 PolarHBondContact O-N 3.47Å; M486-M489 VanDerWaalsContact O-N 3.15Å; T487-M489 PolarHBondContact O-N 3.12Å; M489-D491 VanDerWaalsContact C-N 3.26Å; M489-I492 PolarHBondContact O-N 3.02Å; M489-L493 HydrophobicContact CE-CD1 4.06Å; M489-L493 HydrophobicContact CE-CD2 4.02Å; M489-L493 HydrophobicContact CE-CG 3.71Å; M489-L493 HydrophobicContact CG-CD1 4.38Å; M489-L493 VanDerWaalsContact O-CG 3.31Å; M489-L493 WeakPolarHBondContact O-CG 3.43Å; M489-L493 PolarHBondContact O-N 3.5Å; M489-Y554 HydrophobicContact CE-CD1 4.02Å; M489-Y554 HydrophobicContact CE-CE1 3.34Å; M489-Y554 HydrophobicContact CE-CE2 3.99Å; M489-Y554 WeakPolarHBondContact CE-OH 3.25Å; M489-Y554 HydrophobicContact CG-CD1 4.02Å; M489-Y554 HydrophobicContact CG-CE1 3.98Å; M489-Y554 HydrophobicContact SD-CD1 4.33Å; M489-Y554 HydrophobicContact SD-CE1 3.68Å
490	L	88.4	Confident	88.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-36.9	171.1	-59.1	177.6	0	0	0	110.4	M486 T487 L493 M494 L533	M486-L490 PolarHBondContact O-N 3.12Å; T487-L490 WeakPolarHBondContact O-CA 3.09Å; T487-L490 VanDerWaalsContact O-CB 3.26Å; T487-L490 WeakPolarHBondContact O-CB 3.35Å; T487-L490 PolarHBondContact O-N 3.29Å; L490-L493 HydrophobicContact CD2-CD1 4.36Å; L490-L493 PolarHBondContact O-N 3.2Å; L490-M494 VanDerWaalsContact O-CG 3.32Å; L490-M494 WeakPolarHBondContact O-CG 3.32Å; L490-M494 PolarHBondContact O-N 2.98Å; L490-L533 HydrophobicContact CD2-CB 4.26Å
491	D	87.1	Confident	88.1	Confident	61 Å²	61	31.7 Å²	31.7	33%	0.326	17%	0.165	S	C	.	.	H	α-helix	trans	-58.5	-51.6	175.6	-55	-36.2	0	0	0	111.2	T487 S488 M489 L493 M494 D495 R506	T487-D491 PolarHBondContact O-N 3.39Å; T487-D491 VanDerWaalsContact O-N 3.15Å; S488-D491 WeakPolarHBondContact CA-OD2 3.39Å; S488-D491 PolarHBondContact O-N 3.36Å; M489-D491 VanDerWaalsContact C-N 3.26Å; D491-L493 VanDerWaalsContact C-N 3.26Å; D491-L493 PolarHBondContact O-N 3.02Å; D491-M494 WeakPolarHBondContact O-CA 3.48Å; D491-M494 VanDerWaalsContact O-CB 3.29Å; D491-M494 WeakPolarHBondContact O-CB 3.39Å; D491-M494 PolarHBondContact O-N 2.8Å; D491-D495 PolarHBondContact O-N 3.47Å; D491-D495 VanDerWaalsContact O-N 3.13Å; D491-R506 IonicContact OD1-CZ 3.83Å; D491-R506 IonicContact OD1-NH1 2.89Å; D491-R506 PolarHBondContact OD1-NH1 2.96Å; D491-R506 IonicContact OD1-NH2 3.94Å; D491-R506 PolarHBondContact OD1-NH2 2.73Å
492	I	87.4	Confident	87.8	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-37	176	-60.4	173	0	0	0	111.9	H435 L438 Y441 L456 F463 S488 M489 M494 D495 Y496	H435-I492 HydrophobicContact CB-CD1 4.18Å; L438-I492 HydrophobicContact CD2-CD1 3.54Å; L438-I492 HydrophobicContact CG-CD1 3.68Å; Y441-I492 HydrophobicContact CE2-CG1 4.03Å; L456-I492 HydrophobicContact CD1-CG2 3.68Å; F463-I492 HydrophobicContact CE2-CG2 4.19Å; F463-I492 HydrophobicContact CZ-CG2 3.81Å; S488-I492 WeakPolarHBondContact O-CG1 3.45Å; S488-I492 PolarHBondContact O-N 3.4Å; M489-I492 PolarHBondContact O-N 3.02Å; I492-M494 VanDerWaalsContact C-N 3.32Å; I492-D495 PolarHBondContact O-N 2.66Å; I492-Y496 PolarHBondContact O-N 3.31Å
493	L	88.8	Confident	87.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-30.1	175.8	-73.7	164.5	0	0	0	112.5	F463 L466 L482 M489 L490 D491 C497 L533	F463-L493 HydrophobicContact CE1-CD2 3.81Å; F463-L493 HydrophobicContact CZ-CD2 3.67Å; F463-L493 HydrophobicContact CZ-CG 4.23Å; L466-L493 HydrophobicContact CD1-CD2 4.11Å; L482-L493 HydrophobicContact CD1-CD1 4Å; L482-L493 HydrophobicContact CD1-CD2 3.95Å; L482-L493 HydrophobicContact CD2-CD1 3.44Å; L482-L493 VanDerWaalsContact CD2-CD1 3.44Å; L482-L493 HydrophobicContact CG-CD1 4.38Å; M489-L493 HydrophobicContact CE-CD1 4.06Å; M489-L493 HydrophobicContact CE-CD2 4.02Å; M489-L493 HydrophobicContact CE-CG 3.71Å; M489-L493 HydrophobicContact CG-CD1 4.38Å; M489-L493 VanDerWaalsContact O-CG 3.31Å; M489-L493 WeakPolarHBondContact O-CG 3.43Å; M489-L493 PolarHBondContact O-N 3.5Å; L490-L493 HydrophobicContact CD2-CD1 4.36Å; L490-L493 PolarHBondContact O-N 3.2Å; D491-L493 VanDerWaalsContact C-N 3.26Å; D491-L493 PolarHBondContact O-N 3.02Å; L493-C497 PolarHBondContact O-N 3.48Å; L493-C497 PolarHBondContact O-SG 3.49Å; L493-L533 HydrophobicContact CB-CD1 4.19Å; L493-L533 HydrophobicContact CB-CD2 4.1Å; L493-L533 HydrophobicContact CD1-CD2 4.38Å
494	M	87.2	Confident	87.5	Confident	40 Å²	40	38.5 Å²	38.5	20%	0.197	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-47.3	171.1	-61.8	-169	-51.2	0	0	109.9	L490 D491 I492 Y496 C497 H498 F504 R506 L533	L490-M494 VanDerWaalsContact O-CG 3.32Å; L490-M494 WeakPolarHBondContact O-CG 3.32Å; L490-M494 PolarHBondContact O-N 2.98Å; D491-M494 WeakPolarHBondContact O-CA 3.48Å; D491-M494 VanDerWaalsContact O-CB 3.29Å; D491-M494 WeakPolarHBondContact O-CB 3.39Å; D491-M494 PolarHBondContact O-N 2.8Å; I492-M494 VanDerWaalsContact C-N 3.32Å; M494-Y496 VanDerWaalsContact C-N 3.26Å; M494-Y496 PolarHBondContact O-N 3.29Å; M494-C497 WeakPolarHBondContact O-CA 3.47Å; M494-C497 WeakPolarHBondContact O-CB 3.22Å; M494-C497 PolarHBondContact O-N 3.47Å; M494-H498 PolarHBondContact O-N 3.33Å; M494-H498 PolarHBondContact O-ND1 2.71Å; M494-F504 HydrophobicContact CB-CE1 4.45Å; M494-F504 HydrophobicContact CB-CE2 4.07Å; M494-F504 HydrophobicContact CB-CZ 3.75Å; M494-F504 HydrophobicContact CG-CD2 4.37Å; M494-F504 HydrophobicContact CG-CE2 3.52Å; M494-F504 HydrophobicContact CG-CZ 3.75Å; M494-F504 HydrophobicContact SD-CE2 3.73Å; M494-F504 HydrophobicContact SD-CZ 4.04Å; M494-R506 PolarHBondContact SD-NH1 2.79Å; M494-L533 HydrophobicContact CG-CD1 3.77Å
495	D	85.1	Confident	87.4	Confident	30 Å²	30	39.1 Å²	39.1	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-56.9	-43.2	178.9	-57.5	-23.6	0	0	0	110.9	Y441 I452 L456 D491 I492 C497 H498 L499	Y441-D495 PolarHBondContact OH-OD2 3.33Å; I452-D495 HydrophobicContact CD1-CB 3.97Å; I452-D495 HydrophobicContact CG1-CB 4.23Å; I452-D495 HydrophobicContact CG2-CB 4.42Å; L456-D495 HydrophobicContact CD2-CB 4.46Å; D491-D495 PolarHBondContact O-N 3.47Å; D491-D495 VanDerWaalsContact O-N 3.13Å; I492-D495 PolarHBondContact O-N 2.66Å; D495-C497 PolarHBondContact O-N 2.88Å; D495-H498 PolarHBondContact O-N 3.12Å; D495-L499 PolarHBondContact O-N 3.12Å
496	Y	87.3	Confident	87.4	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-39.6	173.4	172.5	-98.4	0	0	0	113.5	V457 F463 D467 L470 I492 M494 H498 L499 R500 F502	V457-Y496 HydrophobicContact CG2-CD2 3.79Å; V457-Y496 HydrophobicContact CG2-CE2 3.68Å; F463-Y496 AromaticContact CD1-CD2 3.85Å; F463-Y496 HydrophobicContact CD1-CD2 3.85Å; F463-Y496 HydrophobicContact CD1-CE2 4.33Å; F463-Y496 AromaticContact CD1-CG 3.96Å; F463-Y496 HydrophobicContact CD1-CG 3.96Å; F463-Y496 HydrophobicContact CE1-CD1 4.18Å; F463-Y496 AromaticContact CE1-CD2 3.97Å; F463-Y496 HydrophobicContact CE1-CD2 3.97Å; F463-Y496 AromaticContact CE1-CG 3.63Å; F463-Y496 HydrophobicContact CE1-CG 3.63Å; D467-Y496 VanDerWaalsContact CA-OH 3.27Å; D467-Y496 WeakPolarHBondContact CA-OH 3.26Å; D467-Y496 HydrophobicContact CB-CE2 4.4Å; D467-Y496 WeakPolarHBondContact OD1-CE2 3.15Å; D467-Y496 PolarHBondContact OD1-OH 2.86Å; L470-Y496 HydrophobicContact CD1-CE1 3.71Å; I492-Y496 PolarHBondContact O-N 3.31Å; M494-Y496 VanDerWaalsContact C-N 3.26Å; M494-Y496 PolarHBondContact O-N 3.29Å; Y496-H498 VanDerWaalsContact C-N 3.31Å; Y496-H498 PolarHBondContact O-N 3.01Å; Y496-L499 PolarHBondContact O-N 2.99Å; Y496-R500 HydrophobicContact CD2-CG 4.38Å; Y496-R500 HydrophobicContact CE1-CG 4.48Å; Y496-R500 HydrophobicContact CE2-CG 3.78Å; Y496-R500 PolarHBondContact O-N 3.32Å; Y496-F502 HydrophobicContact CE1-CD2 4.45Å; Y496-F502 HydrophobicContact CE1-CE2 4.28Å
497	C	87.1	Confident	87.3	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-35.8	176.3	-67.5	0	0	0	0	111.8	L493 M494 D495 R500 D501 F502 F504	L493-C497 PolarHBondContact O-N 3.48Å; L493-C497 PolarHBondContact O-SG 3.49Å; M494-C497 WeakPolarHBondContact O-CA 3.47Å; M494-C497 WeakPolarHBondContact O-CB 3.22Å; M494-C497 PolarHBondContact O-N 3.47Å; D495-C497 PolarHBondContact O-N 2.88Å; C497-R500 PolarHBondContact O-N 3.28Å; C497-D501 PolarHBondContact O-N 2.9Å; C497-D501 VanDerWaalsContact O-N 3.09Å; C497-F502 HydrophobicContact CB-CB 4.23Å; C497-F502 PolarHBondContact O-N 3.03Å; C497-F504 HydrophobicContact CB-CD1 3.45Å; C497-F504 VanDerWaalsContact CB-CD1 3.45Å; C497-F504 HydrophobicContact CB-CE1 3.92Å; C497-F504 HydrophobicContact CB-CG 4.16Å
498	H	85.9	Confident	87.2	Confident	112 Å²	112	35.6 Å²	35.6	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-67.4	-42.8	173	-66.5	98.4	0	0	0	111.5	M494 D495 Y496 R500 D501 F504	M494-H498 PolarHBondContact O-N 3.33Å; M494-H498 PolarHBondContact O-ND1 2.71Å; D495-H498 PolarHBondContact O-N 3.12Å; Y496-H498 VanDerWaalsContact C-N 3.31Å; Y496-H498 PolarHBondContact O-N 3.01Å; H498-R500 PolarHBondContact O-N 3.2Å; H498-D501 PolarHBondContact O-N 2.98Å; H498-F504 AromaticContact CE1-CE1 3.52Å; H498-F504 AromaticContact CE1-CZ 3.55Å; H498-F504 AromaticContact ND1-CE1 3.93Å; H498-F504 AromaticContact NE2-CE1 3.86Å
499	L	83.4	Confident	86.7	Confident	50 Å²	50	36.4 Å²	36.4	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-59.1	-29.6	177.6	-177.9	64	0	0	0	113.4	I452 V457 D495 Y496	I452-L499 HydrophobicContact CG2-CB 3.96Å; I452-L499 HydrophobicContact CG2-CD1 4.27Å; I452-L499 HydrophobicContact CG2-CD2 4.44Å; I452-L499 HydrophobicContact CG2-CG 4.45Å; V457-L499 HydrophobicContact CG2-CD2 4.47Å; D495-L499 PolarHBondContact O-N 3.12Å; Y496-L499 PolarHBondContact O-N 2.99Å
500	R	84.7	Confident	86.1	Confident	62 Å²	62	41.3 Å²	41.3	23%	0.234	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	8.2	-177.2	-65.1	-68.4	-171.4	-115.9	4	113.9	E454 D467 Y496 C497 H498 F502	E454-R500 IonicContact OE1-CZ 2.73Å; E454-R500 IonicContact OE1-NH1 3.63Å; E454-R500 PolarHBondContact OE1-NH1 3.28Å; E454-R500 IonicContact OE1-NH2 3.19Å; E454-R500 PolarHBondContact OE1-NH2 3.43Å; E454-R500 IonicContact OE2-CZ 3.4Å; E454-R500 IonicContact OE2-NH1 3.81Å; E454-R500 PolarHBondContact OE2-NH1 3.49Å; E454-R500 IonicContact OE2-NH2 3.57Å; E454-R500 PolarHBondContact OE2-NH2 3.02Å; D467-R500 IonicContact OD1-CZ 3.7Å; D467-R500 IonicContact OD1-NE 2.73Å; D467-R500 PolarHBondContact OD1-NE 3.29Å; D467-R500 IonicContact OD1-NH2 2.74Å; D467-R500 PolarHBondContact OD1-NH2 2.83Å; D467-R500 IonicContact OD2-CZ 2.93Å; D467-R500 IonicContact OD2-NE 3.02Å; D467-R500 IonicContact OD2-NH2 3.86Å; D467-R500 PolarHBondContact OD2-NH2 2.97Å; Y496-R500 HydrophobicContact CD2-CG 4.38Å; Y496-R500 HydrophobicContact CE1-CG 4.48Å; Y496-R500 HydrophobicContact CE2-CG 3.78Å; Y496-R500 PolarHBondContact O-N 3.32Å; C497-R500 PolarHBondContact O-N 3.28Å; H498-R500 PolarHBondContact O-N 3.2Å; R500-F502 VanDerWaalsContact C-N 3.33Å; R500-F502 HydrophobicContact CB-CD2 3.63Å; R500-F502 HydrophobicContact CB-CE2 3.43Å; R500-F502 VanDerWaalsContact CB-CE2 3.43Å; R500-F502 HydrophobicContact CB-CG 4.38Å; R500-F502 HydrophobicContact CB-CZ 4.03Å; R500-F502 HydrophobicContact CG-CE2 4.13Å; R500-F502 PolarHBondContact O-N 3.48Å
501	D	86.5	Confident	85.6	Confident	136 Å²	136	43.3 Å²	43.3	73%	0.727	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	47	-177.5	-62.6	-46.1	0	0	0	113.7	C497 H498	C497-D501 PolarHBondContact O-N 2.9Å; C497-D501 VanDerWaalsContact O-N 3.09Å; H498-D501 PolarHBondContact O-N 2.98Å
502	F	88.2	Confident	85.1	Confident	16 Å²	16	43 Å²	43	7%	0.07	24%	0.242	C	C	.	.			trans	-95.6	121.3	172.8	-65	-46.1	0	0	0	111.3	L470 P471 K474 Y496 C497 R500 F504 F530 I531	L470-F502 HydrophobicContact CB-CE2 4.26Å; L470-F502 HydrophobicContact CB-CZ 4.39Å; P471-F502 HydrophobicContact CG-CZ 4.34Å; K474-F502 HydrophobicContact CD-CD1 3.82Å; K474-F502 HydrophobicContact CD-CE1 3.62Å; Y496-F502 HydrophobicContact CE1-CD2 4.45Å; Y496-F502 HydrophobicContact CE1-CE2 4.28Å; C497-F502 HydrophobicContact CB-CB 4.23Å; C497-F502 PolarHBondContact O-N 3.03Å; R500-F502 VanDerWaalsContact C-N 3.33Å; R500-F502 HydrophobicContact CB-CD2 3.63Å; R500-F502 HydrophobicContact CB-CE2 3.43Å; R500-F502 VanDerWaalsContact CB-CE2 3.43Å; R500-F502 HydrophobicContact CB-CG 4.38Å; R500-F502 HydrophobicContact CB-CZ 4.03Å; R500-F502 HydrophobicContact CG-CE2 4.13Å; R500-F502 PolarHBondContact O-N 3.48Å; F502-F504 WeakPolarHBondContact O-CD1 3.42Å; F502-F504 PolarHBondContact O-N 2.6Å; F502-F530 HydrophobicContact CD1-CD1 4.02Å; F502-F530 HydrophobicContact CD1-CE1 4.38Å; F502-F530 HydrophobicContact CE1-CE1 4.47Å; F502-F530 HydrophobicContact CG-CD1 4.32Å; F502-I531 HydrophobicContact CB-CD1 4.06Å; F502-I531 HydrophobicContact CD2-CD1 4.08Å; F502-I531 HydrophobicContact CG-CD1 4.2Å
503	N	89.2	Confident	84.3	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	26%	0.258	S	S	.	.			trans	-66.3	122.4	169.3	-70.5	-6.5	0	0	0	109.9	E528 F530 I531	N503-E528 WeakPolarHBondContact CB-O 3.35Å; N503-F530 PolarHBondContact O-N 3.49Å; N503-F530 VanDerWaalsContact O-N 3.07Å; N503-I531 PolarHBondContact O-N 3.3Å
504	F	90	Very high	83.8	Confident	49 Å²	49	51.3 Å²	51.3	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.7	-178.8	71.5	-87.8	0	0	0	112	M494 C497 H498 F502 I531 L533	M494-F504 HydrophobicContact CB-CE1 4.45Å; M494-F504 HydrophobicContact CB-CE2 4.07Å; M494-F504 HydrophobicContact CB-CZ 3.75Å; M494-F504 HydrophobicContact CG-CD2 4.37Å; M494-F504 HydrophobicContact CG-CE2 3.52Å; M494-F504 HydrophobicContact CG-CZ 3.75Å; M494-F504 HydrophobicContact SD-CE2 3.73Å; M494-F504 HydrophobicContact SD-CZ 4.04Å; C497-F504 HydrophobicContact CB-CD1 3.45Å; C497-F504 VanDerWaalsContact CB-CD1 3.45Å; C497-F504 HydrophobicContact CB-CE1 3.92Å; C497-F504 HydrophobicContact CB-CG 4.16Å; H498-F504 AromaticContact CE1-CE1 3.52Å; H498-F504 AromaticContact CE1-CZ 3.55Å; H498-F504 AromaticContact ND1-CE1 3.93Å; H498-F504 AromaticContact NE2-CE1 3.86Å; F502-F504 WeakPolarHBondContact O-CD1 3.42Å; F502-F504 PolarHBondContact O-N 2.6Å; F504-I531 CarbonylContact C-O 3.6Å; F504-I531 WeakPolarHBondContact CA-O 3.49Å; F504-I531 HydrophobicContact CB-CB 4.08Å; F504-L533 HydrophobicContact CD2-CD1 3.83Å; F504-L533 HydrophobicContact CD2-CG 4.39Å; F504-L533 HydrophobicContact CE2-CD1 4.28Å; F504-L533 HydrophobicContact CG-CD1 4.4Å
505	S	90.3	Very high	83.5	Confident	13 Å²	13	54 Å²	54	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.1	162.8	-52	0	0	0	0	110.2	I531 F532 L533	S505-I531 PolarHBondContact N-O 3.4Å; S505-F532 CarbonylContact O-C 3.57Å; S505-F532 WeakPolarHBondContact O-CA 3.25Å; S505-F532 WeakPolarHBondContact O-CD2 3.06Å; S505-L533 PolarHBondContact O-N 3.21Å
506	R	88.9	Confident	83.3	Confident	40 Å²	40	53.9 Å²	53.9	15%	0.151	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.9	-173	176.5	178.6	173.9	153.4	1.4	111.5	D491 M494 D508 M511 N519 L533	D491-R506 IonicContact OD1-CZ 3.83Å; D491-R506 IonicContact OD1-NH1 2.89Å; D491-R506 PolarHBondContact OD1-NH1 2.96Å; D491-R506 IonicContact OD1-NH2 3.94Å; D491-R506 PolarHBondContact OD1-NH2 2.73Å; M494-R506 PolarHBondContact SD-NH1 2.79Å; R506-D508 IonicContact CZ-OD2 2.87Å; R506-D508 VanDerWaalsContact CZ-OD2 3.24Å; R506-D508 IonicContact NE-OD2 3.79Å; R506-D508 PolarHBondContact NE-OD2 3.37Å; R506-D508 IonicContact NH2-OD2 2.81Å; R506-D508 PolarHBondContact NH2-OD2 2.58Å; R506-M511 HydrophobicContact CG-SD 4.43Å; R506-N519 PolarHBondContact O-ND2 2.97Å; R506-L533 CarbonylContact C-O 3.6Å; R506-L533 WeakPolarHBondContact CA-O 3.24Å
507	L	86.4	Confident	82.9	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	110.5	170	-165.7	160.3	0	0	0	110.7	R516 M520 F532 L533 V534 S535 A538 I543	L507-R516 HydrophobicContact CD1-CG 3.81Å; L507-R516 HydrophobicContact CG-CG 4.18Å; L507-M520 HydrophobicContact CD1-CG 4.16Å; L507-M520 HydrophobicContact CD1-SD 4.31Å; L507-F532 HydrophobicContact CB-CE1 4.04Å; L507-F532 HydrophobicContact CB-CZ 3.85Å; L507-F532 HydrophobicContact CD1-CE1 4.09Å; L507-F532 HydrophobicContact CD1-CZ 3.98Å; L507-L533 PolarHBondContact N-O 3.12Å; L507-V534 HydrophobicContact CB-CG1 4.48Å; L507-V534 HydrophobicContact CB-CG2 4.38Å; L507-V534 HydrophobicContact CD2-CG1 4.33Å; L507-V534 WeakPolarHBondContact O-CA 3.26Å; L507-S535 PolarHBondContact O-N 3.43Å; L507-A538 HydrophobicContact CD2-CB 3.39Å; L507-I543 HydrophobicContact CD1-CD1 4.14Å; L507-I543 HydrophobicContact CD1-CG2 4.36Å
508	D	83.4	Confident	82.8	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	35%	0.346	C	S	.	.			trans	-125.4	-178.6	171.1	70	31.7	0	0	0	112.7	T487 R506 S510 M511 R516	T487-D508 HydrophobicContact CG2-CB 4.37Å; R506-D508 IonicContact CZ-OD2 2.87Å; R506-D508 VanDerWaalsContact CZ-OD2 3.24Å; R506-D508 IonicContact NE-OD2 3.79Å; R506-D508 PolarHBondContact NE-OD2 3.37Å; R506-D508 IonicContact NH2-OD2 2.81Å; R506-D508 PolarHBondContact NH2-OD2 2.58Å; D508-S510 VanDerWaalsContact C-N 3.35Å; D508-S510 PolarHBondContact OD1-N 3.38Å; D508-S510 PolarHBondContact OD1-OG 2.83Å; D508-S510 PolarHBondContact OD2-OG 3.21Å; D508-M511 WeakPolarHBondContact OD1-CG 3.22Å; D508-M511 PolarHBondContact OD1-N 3.33Å; D508-M511 VanDerWaalsContact OD1-N 3.11Å; D508-R516 PolarHBondContact O-NH2 2.77Å; D508-R516 VanDerWaalsContact O-NH2 3.07Å
509	G	76.4	Confident	82.8	Confident	61 Å²	61	61.5 Å²	61.5	63%	0.629	33%	0.33	S	S	*	.	S	Bend	trans	-78.4	-14.4	-178.6	0	0	0	0	0	114.7
510	S	77	Confident	82.8	Confident	103 Å²	103	60.9 Å²	60.9	72%	0.72	33%	0.326	S	S	*	.	S	Bend	trans	-88.5	-22.5	-179.4	28.7	0	0	0	0	113.4	D508	D508-S510 VanDerWaalsContact C-N 3.35Å; D508-S510 PolarHBondContact OD1-N 3.38Å; D508-S510 PolarHBondContact OD1-OG 2.83Å; D508-S510 PolarHBondContact OD2-OG 3.21Å
511	M	76.7	Confident	82.7	Confident	41 Å²	41	63.2 Å²	63.2	20%	0.202	34%	0.34	C	S	.	.	S	Bend	trans	-63.5	146	-178.3	-67.3	-178.4	78.9	0	0	113.3	R506 D508 E515 N519	R506-M511 HydrophobicContact CG-SD 4.43Å; D508-M511 WeakPolarHBondContact OD1-CG 3.22Å; D508-M511 PolarHBondContact OD1-N 3.33Å; D508-M511 VanDerWaalsContact OD1-N 3.11Å; M511-E515 HydrophobicContact CE-CB 3.76Å; M511-N519 WeakPolarHBondContact CE-ND2 3.31Å
512	S	77	Confident	82.7	Confident	56 Å²	56	58.3 Å²	58.3	39%	0.392	32%	0.316	S	S	.	.			trans	-67.7	160.3	174.8	71	0	0	0	0	111.5	S514 E515 R516	S512-S514 VanDerWaalsContact C-N 3.34Å; S512-S514 PolarHBondContact O-N 2.91Å; S512-E515 WeakPolarHBondContact CB-OE2 3.09Å; S512-E515 PolarHBondContact N-OE2 3.3Å; S512-E515 VanDerWaalsContact N-OE2 3.12Å; S512-E515 PolarHBondContact O-N 2.91Å; S512-E515 VanDerWaalsContact OG-CG 3.26Å; S512-E515 WeakPolarHBondContact OG-CG 3.42Å; S512-E515 PolarHBondContact OG-N 2.88Å; S512-E515 PolarHBondContact OG-OE2 3.23Å; S512-R516 PolarHBondContact O-N 3.36Å; S512-R516 VanDerWaalsContact O-N 3.13Å
513	Y	70.9	Confident	82.7	Confident	93 Å²	93	57.5 Å²	57.5	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-45.4	179.3	174.4	-81.9	0	0	0	112.2	P146 R516 E517	P146-Y513 HydrophobicContact CB-CE2 3.55Å; P146-Y513 VanDerWaalsContact CB-OH 3.31Å; P146-Y513 WeakPolarHBondContact CB-OH 3.36Å; P146-Y513 HydrophobicContact CG-CD2 4.17Å; P146-Y513 HydrophobicContact CG-CE2 3.4Å; Y513-R516 PolarHBondContact O-N 2.89Å; Y513-E517 WeakPolarHBondContact CE1-OE2 3.19Å; Y513-E517 PolarHBondContact O-N 3.38Å
514	S	77.6	Confident	82.6	Confident	86 Å²	86	56.6 Å²	56.6	60%	0.601	31%	0.307	S	S	*	.	H	α-helix	trans	-66.9	-39.4	-176.2	-54.6	0	0	0	0	112.6	S512 E517 K518	S512-S514 VanDerWaalsContact C-N 3.34Å; S512-S514 PolarHBondContact O-N 2.91Å; S514-E517 PolarHBondContact O-N 3.31Å; S514-K518 PolarHBondContact O-N 2.84Å
515	E	81.6	Confident	82.4	Confident	98 Å²	98	59 Å²	59	46%	0.458	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-39.1	177	-69.3	163.3	157.2	0	0	111.7	M511 S512 E517 K518 N519	M511-E515 HydrophobicContact CE-CB 3.76Å; S512-E515 WeakPolarHBondContact CB-OE2 3.09Å; S512-E515 PolarHBondContact N-OE2 3.3Å; S512-E515 VanDerWaalsContact N-OE2 3.12Å; S512-E515 PolarHBondContact O-N 2.91Å; S512-E515 VanDerWaalsContact OG-CG 3.26Å; S512-E515 WeakPolarHBondContact OG-CG 3.42Å; S512-E515 PolarHBondContact OG-N 2.88Å; S512-E515 PolarHBondContact OG-OE2 3.23Å; E515-E517 VanDerWaalsContact C-N 3.34Å; E515-E517 PolarHBondContact O-N 2.92Å; E515-K518 PolarHBondContact O-N 2.72Å; E515-N519 WeakPolarHBondContact O-CB 3.5Å; E515-N519 PolarHBondContact O-N 3.31Å
516	R	80.4	Confident	82.2	Confident	27 Å²	27	61.6 Å²	61.6	10%	0.102	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-47.6	175.5	178.9	178.6	-70.5	155.5	1.9	111.1	L507 D508 S512 Y513 N519 M520	L507-R516 HydrophobicContact CD1-CG 3.81Å; L507-R516 HydrophobicContact CG-CG 4.18Å; D508-R516 PolarHBondContact O-NH2 2.77Å; D508-R516 VanDerWaalsContact O-NH2 3.07Å; S512-R516 PolarHBondContact O-N 3.36Å; S512-R516 VanDerWaalsContact O-N 3.13Å; Y513-R516 PolarHBondContact O-N 2.89Å; R516-N519 PolarHBondContact O-N 2.97Å; R516-M520 HydrophobicContact CG-SD 4Å; R516-M520 WeakPolarHBondContact O-CB 3.22Å; R516-M520 VanDerWaalsContact O-CG 3.24Å; R516-M520 WeakPolarHBondContact O-CG 2.94Å; R516-M520 PolarHBondContact O-N 3.39Å
517	E	78.9	Confident	81.8	Confident	86 Å²	86	65 Å²	65	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-43.3	179.8	-171.9	166.3	-152.5	0	0	111.2	Y513 S514 E515 N519 M520 H521	Y513-E517 WeakPolarHBondContact CE1-OE2 3.19Å; Y513-E517 PolarHBondContact O-N 3.38Å; S514-E517 PolarHBondContact O-N 3.31Å; E515-E517 VanDerWaalsContact C-N 3.34Å; E515-E517 PolarHBondContact O-N 2.92Å; E517-N519 PolarHBondContact O-N 3.16Å; E517-M520 PolarHBondContact O-N 3.5Å; E517-H521 PolarHBondContact O-CD2 2.83Å; E517-H521 PolarHBondContact O-N 3Å
518	K	85.1	Confident	81.7	Confident	155 Å²	155	72 Å²	72	67%	0.674	40%	0.399	S	S	*	.	H	α-helix	trans	-59.2	-47.5	175.3	-171.7	180	178.8	-175.5	0	112.4	S514 E515 M520 H521 S522	S514-K518 PolarHBondContact O-N 2.84Å; E515-K518 PolarHBondContact O-N 2.72Å; K518-M520 VanDerWaalsContact C-N 3.34Å; K518-M520 PolarHBondContact O-N 3.42Å; K518-H521 PolarHBondContact O-N 2.71Å; K518-S522 WeakPolarHBondContact O-CB 3.43Å; K518-S522 PolarHBondContact O-N 3.42Å
519	N	85.8	Confident	81.9	Confident	34 Å²	34	72.4 Å²	72.4	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-37.1	179.7	-73.3	-1	0	0	0	112.1	R506 M511 E515 R516 E517 F523 F532	R506-N519 PolarHBondContact O-ND2 2.97Å; M511-N519 WeakPolarHBondContact CE-ND2 3.31Å; E515-N519 WeakPolarHBondContact O-CB 3.5Å; E515-N519 PolarHBondContact O-N 3.31Å; R516-N519 PolarHBondContact O-N 2.97Å; E517-N519 PolarHBondContact O-N 3.16Å; N519-F523 WeakPolarHBondContact O-CB 3.29Å; N519-F523 PolarHBondContact O-N 2.76Å; N519-F532 HydrophobicContact CB-CE2 4.33Å
520	M	82.9	Confident	82.5	Confident	37 Å²	37	70 Å²	70	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-41.8	174.7	-73.6	177.2	62.6	0	0	112	L507 R516 E517 K518 N524 F532 I543	L507-M520 HydrophobicContact CD1-CG 4.16Å; L507-M520 HydrophobicContact CD1-SD 4.31Å; R516-M520 HydrophobicContact CG-SD 4Å; R516-M520 WeakPolarHBondContact O-CB 3.22Å; R516-M520 VanDerWaalsContact O-CG 3.24Å; R516-M520 WeakPolarHBondContact O-CG 2.94Å; R516-M520 PolarHBondContact O-N 3.39Å; E517-M520 PolarHBondContact O-N 3.5Å; K518-M520 VanDerWaalsContact C-N 3.34Å; K518-M520 PolarHBondContact O-N 3.42Å; M520-N524 WeakPolarHBondContact O-CB 3.38Å; M520-N524 PolarHBondContact O-N 3.33Å; M520-N524 PolarHBondContact O-ND2 3.46Å; M520-N524 VanDerWaalsContact O-ND2 3.15Å; M520-F532 HydrophobicContact CG-CZ 4.44Å; M520-I543 HydrophobicContact CE-CB 3.9Å; M520-I543 HydrophobicContact CE-CG2 3.93Å; M520-I543 HydrophobicContact SD-CB 4.39Å; M520-I543 HydrophobicContact SD-CG2 3.83Å
521	H	84.1	Confident	83.3	Confident	111 Å²	111	65.2 Å²	65.2	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.8	-82.6	-62.6	0	0	0	112.3	E517 K518 F523 N524 T525	E517-H521 PolarHBondContact O-CD2 2.83Å; E517-H521 PolarHBondContact O-N 3Å; K518-H521 PolarHBondContact O-N 2.71Å; H521-F523 PolarHBondContact O-N 3.39Å; H521-N524 PolarHBondContact O-N 2.93Å; H521-T525 VanDerWaalsContact O-CB 3.28Å; H521-T525 WeakPolarHBondContact O-CB 3.42Å; H521-T525 PolarHBondContact O-N 3.28Å; H521-T525 PolarHBondContact O-OG1 3.06Å
522	S	86.9	Confident	84	Confident	32 Å²	32	63.2 Å²	63.2	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-46.9	177.1	-179.6	0	0	0	0	110.9	K518 N524 T525 D526	K518-S522 WeakPolarHBondContact O-CB 3.43Å; K518-S522 PolarHBondContact O-N 3.42Å; S522-N524 VanDerWaalsContact C-N 3.33Å; S522-N524 PolarHBondContact O-N 2.85Å; S522-T525 PolarHBondContact O-N 3.28Å; S522-D526 WeakPolarHBondContact CA-OD2 3.2Å; S522-D526 WeakPolarHBondContact CB-OD2 3.38Å; S522-D526 VanDerWaalsContact O-CB 3.25Å; S522-D526 WeakPolarHBondContact O-CB 3.48Å; S522-D526 PolarHBondContact O-N 3.03Å; S522-D526 PolarHBondContact OG-OD2 3.24Å
523	F	87.8	Confident	84.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-38.7	178.7	-177.6	-107.4	0	0	0	114.1	K479 L481 N519 H521 V529 F532 L545 A547 A548	K479-F523 HydrophobicContact CB-CZ 4.25Å; K479-F523 HydrophobicContact CD-CE2 4.32Å; K479-F523 HydrophobicContact CD-CZ 4.29Å; K479-F523 PolarHBondContact NZ-O 3.31Å; L481-F523 HydrophobicContact CD2-CE1 4.4Å; N519-F523 WeakPolarHBondContact O-CB 3.29Å; N519-F523 PolarHBondContact O-N 2.76Å; H521-F523 PolarHBondContact O-N 3.39Å; F523-V529 HydrophobicContact CD2-CB 4.31Å; F523-V529 HydrophobicContact CD2-CG1 3.78Å; F523-F532 HydrophobicContact CB-CD2 3.88Å; F523-F532 HydrophobicContact CB-CE2 4.09Å; F523-F532 HydrophobicContact CD1-CB 4.33Å; F523-F532 HydrophobicContact CD1-CD2 4.45Å; F523-F532 HydrophobicContact CD1-CG 4.25Å; F523-F532 HydrophobicContact CD2-CB 3.71Å; F523-F532 AromaticContact CD2-CD2 3.98Å; F523-F532 HydrophobicContact CD2-CD2 3.98Å; F523-F532 HydrophobicContact CD2-CG 4.1Å; F523-F532 HydrophobicContact CE1-CB 4.21Å; F523-F532 HydrophobicContact CE2-CB 3.6Å; F523-F532 HydrophobicContact CE2-CG 4.42Å; F523-F532 HydrophobicContact CG-CB 4.07Å; F523-F532 AromaticContact CG-CD2 3.83Å; F523-F532 HydrophobicContact CG-CD2 3.83Å; F523-F532 HydrophobicContact CG-CE2 4.46Å; F523-F532 HydrophobicContact CG-CG 4.01Å; F523-F532 HydrophobicContact CZ-CB 3.85Å; F523-L545 HydrophobicContact CD1-CD2 3.94Å; F523-L545 HydrophobicContact CE1-CD2 4.39Å; F523-A547 HydrophobicContact CE1-CB 4.43Å; F523-A548 HydrophobicContact CE1-CB 4.02Å; F523-A548 HydrophobicContact CZ-CB 3.94Å
524	N	85.6	Confident	85.7	Confident	61 Å²	61	56.1 Å²	56.1	33%	0.326	30%	0.295	S	S	.	.	H	α-helix	trans	-78.1	-30.6	-179.5	-75.1	-35.9	0	0	0	113.2	M520 H521 S522 A547	M520-N524 WeakPolarHBondContact O-CB 3.38Å; M520-N524 PolarHBondContact O-N 3.33Å; M520-N524 PolarHBondContact O-ND2 3.46Å; M520-N524 VanDerWaalsContact O-ND2 3.15Å; H521-N524 PolarHBondContact O-N 2.93Å; S522-N524 VanDerWaalsContact C-N 3.33Å; S522-N524 PolarHBondContact O-N 2.85Å; N524-A547 WeakPolarHBondContact OD1-CB 3.41Å
525	T	86.1	Confident	86.2	Confident	100 Å²	100	52.4 Å²	52.4	61%	0.613	27%	0.268	S	S	*	.	H	α-helix	trans	-94.5	-43.6	-174.1	-45.8	0	0	0	0	111.7	H521 S522 P527	H521-T525 VanDerWaalsContact O-CB 3.28Å; H521-T525 WeakPolarHBondContact O-CB 3.42Å; H521-T525 PolarHBondContact O-N 3.28Å; H521-T525 PolarHBondContact O-OG1 3.06Å; S522-T525 PolarHBondContact O-N 3.28Å; T525-P527 WeakPolarHBondContact O-CD 3.48Å
526	D	85.9	Confident	86.3	Confident	68 Å²	68	47.8 Å²	47.8	36%	0.364	25%	0.247	S	C	.	.			trans	-86.6	120.6	-171.8	-57.3	-36.9	0	0	0	109.9	K479 S522 E528 V529	K479-D526 PolarHBondContact NZ-O 2.87Å; S522-D526 WeakPolarHBondContact CA-OD2 3.2Å; S522-D526 WeakPolarHBondContact CB-OD2 3.38Å; S522-D526 VanDerWaalsContact O-CB 3.25Å; S522-D526 WeakPolarHBondContact O-CB 3.48Å; S522-D526 PolarHBondContact O-N 3.03Å; S522-D526 PolarHBondContact OG-OD2 3.24Å; D526-E528 VanDerWaalsContact C-N 3.25Å; D526-E528 PolarHBondContact O-N 3.2Å; D526-V529 HydrophobicContact CB-CG2 4.04Å
527	P	81.4	Confident	86.2	Confident	110 Å²	110	55.7 Å²	55.7	71%	0.714	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.2	177.2	29	-33.6	0	0	0	112.5	T525 V529	T525-P527 WeakPolarHBondContact O-CD 3.48Å; P527-V529 VanDerWaalsContact C-N 3.33Å; P527-V529 PolarHBondContact O-N 2.95Å
528	E	84.3	Confident	85.9	Confident	148 Å²	148	51.9 Å²	51.9	69%	0.692	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	-179.7	-64	-167.6	166.3	0	0	113.3	N503 D526 F530	N503-E528 WeakPolarHBondContact CB-O 3.35Å; D526-E528 VanDerWaalsContact C-N 3.25Å; D526-E528 PolarHBondContact O-N 3.2Å; E528-F530 PolarHBondContact O-N 3.27Å; E528-F530 VanDerWaalsContact O-N 3.14Å
529	V	87.4	Confident	84.9	Confident	13 Å²	13	44.5 Å²	44.5	8%	0.079	23%	0.228	C	C	.	.			trans	-75.2	106.8	177.7	-172.3	0	0	0	0	109	K479 F523 D526 P527	K479-V529 WeakPolarHBondContact CE-O 3.33Å; F523-V529 HydrophobicContact CD2-CB 4.31Å; F523-V529 HydrophobicContact CD2-CG1 3.78Å; D526-V529 HydrophobicContact CB-CG2 4.04Å; P527-V529 VanDerWaalsContact C-N 3.33Å; P527-V529 PolarHBondContact O-N 2.95Å
530	F	90.2	Very high	83.8	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.053	22%	0.222	C	C	.	.			trans	-88.3	-42.4	-174.5	170.6	-124	0	0	0	112.2	L470 L473 K474 H478 V480 F502 N503 E528	L470-F530 HydrophobicContact CB-CE1 4.31Å; L470-F530 HydrophobicContact CD2-CE1 4.12Å; L470-F530 HydrophobicContact CD2-CZ 4.23Å; L470-F530 WeakPolarHBondContact O-CZ 3.27Å; L473-F530 HydrophobicContact CB-CE2 4.34Å; L473-F530 HydrophobicContact CB-CZ 4.06Å; K474-F530 HydrophobicContact CB-CD1 4.41Å; K474-F530 HydrophobicContact CB-CD2 4.29Å; K474-F530 HydrophobicContact CB-CE1 4.08Å; K474-F530 HydrophobicContact CB-CE2 3.91Å; K474-F530 HydrophobicContact CB-CZ 3.82Å; K474-F530 HydrophobicContact CD-CD1 4.35Å; K474-F530 HydrophobicContact CG-CD1 4.48Å; K474-F530 HydrophobicContact CG-CD2 4.36Å; K474-F530 HydrophobicContact CG-CE2 4.47Å; K474-F530 HydrophobicContact CG-CG 4.39Å; H478-F530 WeakPolarHBondContact O-CD2 3.46Å; H478-F530 WeakPolarHBondContact O-CE2 3.21Å; V480-F530 HydrophobicContact CG2-CE2 3.73Å; V480-F530 HydrophobicContact CG2-CZ 3.73Å; V480-F530 PolarHBondContact N-O 3.19Å; F502-F530 HydrophobicContact CD1-CD1 4.02Å; F502-F530 HydrophobicContact CD1-CE1 4.38Å; F502-F530 HydrophobicContact CE1-CE1 4.47Å; F502-F530 HydrophobicContact CG-CD1 4.32Å; N503-F530 PolarHBondContact O-N 3.49Å; N503-F530 VanDerWaalsContact O-N 3.07Å; E528-F530 PolarHBondContact O-N 3.27Å; E528-F530 VanDerWaalsContact O-N 3.14Å
531	I	92.2	Very high	82.7	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	-173.1	-55.8	179.8	0	0	0	110.8	L470 V480 L482 F502 N503 F504 S505 L533	L470-I531 HydrophobicContact CD1-CD1 4.21Å; L470-I531 HydrophobicContact CD2-CD1 4.28Å; V480-I531 WeakPolarHBondContact O-CA 3.15Å; L482-I531 HydrophobicContact CB-CG2 4.49Å; F502-I531 HydrophobicContact CB-CD1 4.06Å; F502-I531 HydrophobicContact CD2-CD1 4.08Å; F502-I531 HydrophobicContact CG-CD1 4.2Å; N503-I531 PolarHBondContact O-N 3.3Å; F504-I531 CarbonylContact C-O 3.6Å; F504-I531 WeakPolarHBondContact CA-O 3.49Å; F504-I531 HydrophobicContact CB-CB 4.08Å; S505-I531 PolarHBondContact N-O 3.4Å; I531-L533 HydrophobicContact CG2-CD2 3.66Å; I531-L533 HydrophobicContact CG2-CG 4.12Å
532	F	92.8	Very high	81.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.9	168.3	-162	-117	0	0	0	110.2	V480 L481 L482 S505 L507 N519 M520 F523 V534 L545	V480-F532 PolarHBondContact O-N 2.94Å; L481-F532 HydrophobicContact CD2-CB 3.77Å; L481-F532 HydrophobicContact CD2-CD1 3.64Å; L481-F532 HydrophobicContact CD2-CG 4.15Å; L482-F532 PolarHBondContact N-O 3.01Å; S505-F532 CarbonylContact O-C 3.57Å; S505-F532 WeakPolarHBondContact O-CA 3.25Å; S505-F532 WeakPolarHBondContact O-CD2 3.06Å; L507-F532 HydrophobicContact CB-CE1 4.04Å; L507-F532 HydrophobicContact CB-CZ 3.85Å; L507-F532 HydrophobicContact CD1-CE1 4.09Å; L507-F532 HydrophobicContact CD1-CZ 3.98Å; N519-F532 HydrophobicContact CB-CE2 4.33Å; M520-F532 HydrophobicContact CG-CZ 4.44Å; F523-F532 HydrophobicContact CB-CD2 3.88Å; F523-F532 HydrophobicContact CB-CE2 4.09Å; F523-F532 HydrophobicContact CD1-CB 4.33Å; F523-F532 HydrophobicContact CD1-CD2 4.45Å; F523-F532 HydrophobicContact CD1-CG 4.25Å; F523-F532 HydrophobicContact CD2-CB 3.71Å; F523-F532 AromaticContact CD2-CD2 3.98Å; F523-F532 HydrophobicContact CD2-CD2 3.98Å; F523-F532 HydrophobicContact CD2-CG 4.1Å; F523-F532 HydrophobicContact CE1-CB 4.21Å; F523-F532 HydrophobicContact CE2-CB 3.6Å; F523-F532 HydrophobicContact CE2-CG 4.42Å; F523-F532 HydrophobicContact CG-CB 4.07Å; F523-F532 AromaticContact CG-CD2 3.83Å; F523-F532 HydrophobicContact CG-CD2 3.83Å; F523-F532 HydrophobicContact CG-CE2 4.46Å; F523-F532 HydrophobicContact CG-CG 4.01Å; F523-F532 HydrophobicContact CZ-CB 3.85Å; F532-V534 HydrophobicContact CD1-CG2 3.18Å; F532-V534 HydrophobicContact CE1-CG2 3.45Å; F532-V534 VanDerWaalsContact CE1-CG2 3.45Å; F532-V534 HydrophobicContact CG-CG2 4.1Å; F532-L545 HydrophobicContact CD1-CD1 3.84Å; F532-L545 HydrophobicContact CD1-CD2 4.1Å; F532-L545 HydrophobicContact CE1-CD1 3.79Å; F532-L545 HydrophobicContact CE1-CD2 3.86Å; F532-L545 HydrophobicContact CZ-CD2 4.5Å
533	L	91.9	Very high	81	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.1	-179	-63	-177.6	0	0	0	109.5	L482 L490 L493 M494 F504 S505 R506 L507 I531	L482-L533 HydrophobicContact CB-CD2 3.99Å; L482-L533 HydrophobicContact CD1-CD2 4.13Å; L482-L533 HydrophobicContact CG-CD2 4.43Å; L490-L533 HydrophobicContact CD2-CB 4.26Å; L493-L533 HydrophobicContact CB-CD1 4.19Å; L493-L533 HydrophobicContact CB-CD2 4.1Å; L493-L533 HydrophobicContact CD1-CD2 4.38Å; M494-L533 HydrophobicContact CG-CD1 3.77Å; F504-L533 HydrophobicContact CD2-CD1 3.83Å; F504-L533 HydrophobicContact CD2-CG 4.39Å; F504-L533 HydrophobicContact CE2-CD1 4.28Å; F504-L533 HydrophobicContact CG-CD1 4.4Å; S505-L533 PolarHBondContact O-N 3.21Å; R506-L533 CarbonylContact C-O 3.6Å; R506-L533 WeakPolarHBondContact CA-O 3.24Å; L507-L533 PolarHBondContact N-O 3.12Å; I531-L533 HydrophobicContact CG2-CD2 3.66Å; I531-L533 HydrophobicContact CG2-CG 4.12Å
534	V	90.4	Very high	80.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.5	-174.1	-172.7	0	0	0	0	110.9	L481 L482 F483 S484 L507 F532 T536 G539 I543	L481-V534 HydrophobicContact CD2-CG2 4.42Å; L482-V534 PolarHBondContact O-N 3.47Å; F483-V534 VanDerWaalsContact CA-O 3.28Å; F483-V534 WeakPolarHBondContact CA-O 3.21Å; F483-V534 HydrophobicContact CD1-CB 3.72Å; F483-V534 HydrophobicContact CD1-CG1 3.91Å; F483-V534 HydrophobicContact CE1-CB 3.63Å; F483-V534 HydrophobicContact CE1-CG1 3.6Å; F483-V534 HydrophobicContact CE1-CG2 4.3Å; S484-V534 PolarHBondContact N-O 3.04Å; S484-V534 VanDerWaalsContact N-O 3.14Å; L507-V534 HydrophobicContact CB-CG1 4.48Å; L507-V534 HydrophobicContact CB-CG2 4.38Å; L507-V534 HydrophobicContact CD2-CG1 4.33Å; L507-V534 WeakPolarHBondContact O-CA 3.26Å; F532-V534 HydrophobicContact CD1-CG2 3.18Å; F532-V534 HydrophobicContact CE1-CG2 3.45Å; F532-V534 VanDerWaalsContact CE1-CG2 3.45Å; F532-V534 HydrophobicContact CG-CG2 4.1Å; V534-T536 PolarHBondContact O-N 3.23Å; V534-G539 VanDerWaalsContact CG1-CA 3.47Å; V534-I543 HydrophobicContact CG1-CD1 4.47Å
535	S	89.5	Confident	80.3	Confident	7 Å²	7	38 Å²	38	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.9	168.7	67.7	0	0	0	0	110.2	S484 L507 R537 A538 G539	S484-S535 CarbonylContact O-C 3.6Å; S484-S535 WeakPolarHBondContact O-CA 3.16Å; L507-S535 PolarHBondContact O-N 3.43Å; S535-R537 PolarHBondContact O-N 3.48Å; S535-A538 PolarHBondContact O-N 2.88Å; S535-A538 WeakPolarHBondContact OG-CB 3.46Å; S535-A538 PolarHBondContact OG-N 3.22Å; S535-G539 PolarHBondContact O-N 3.48Å
536	T	82.9	Confident	80.1	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-35.2	-176.1	-45.2	0	0	0	0	112.1	S484 Q485 V534 G540 A566	S484-T536 PolarHBondContact O-N 3.11Å; S484-T536 PolarHBondContact O-OG1 2.83Å; Q485-T536 VanDerWaalsContact NE2-CB 3.34Å; V534-T536 PolarHBondContact O-N 3.23Å; T536-G540 PolarHBondContact O-N 3.46Å; T536-A566 HydrophobicContact CG2-CB 4.46Å
537	R	77.2	Confident	80.1	Confident	193 Å²	193	33.4 Å²	33.4	73%	0.728	18%	0.177	S	C	*	.	H	α-helix	trans	-68.2	-41.1	175.3	-66.9	-173.6	-179.6	-174	-0.4	113.8	S535 L541	S535-R537 PolarHBondContact O-N 3.48Å; R537-L541 WeakPolarHBondContact O-CG 3.36Å
538	A	73.4	Confident	80.4	Confident	5 Å²	5	28.1 Å²	28.1	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-75.8	-32.9	176.6	0	0	0	0	0	111.6	L507 S535 L541	L507-A538 HydrophobicContact CD2-CB 3.39Å; S535-A538 PolarHBondContact O-N 2.88Å; S535-A538 WeakPolarHBondContact OG-CB 3.46Å; S535-A538 PolarHBondContact OG-N 3.22Å; A538-L541 WeakPolarHBondContact O-CB 3.39Å; A538-L541 PolarHBondContact O-N 3.31Å
539	G	64.5	Low	80.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.7	-30.2	176.3	0	0	0	0	0	114.3	V534 S535 L541 R569	V534-G539 VanDerWaalsContact CG1-CA 3.47Å; S535-G539 PolarHBondContact O-N 3.48Å; G539-L541 PolarHBondContact O-N 3.36Å; G539-R569 WeakPolarHBondContact O-CG 3.29Å; G539-R569 PolarHBondContact O-NE 2.85Å
540	G	62.5	Low	80.8	Confident	6 Å²	6	20.5 Å²	20.5	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13	173.5	0	0	0	0	0	113.6	T536 R569	T536-G540 PolarHBondContact O-N 3.46Å; G540-R569 PolarHBondContact O-NH2 3.41Å
541	L	60.9	Low	81	Confident	52 Å²	52	20 Å²	20	27%	0.272	10%	0.104	S	C	.	.	S	Bend	trans	-103.5	82.8	-169.5	-62.9	169.1	0	0	0	114.2	P141 S143 R537 A538 G539 I543	P141-L541 HydrophobicContact CB-CD2 3.8Å; P141-L541 HydrophobicContact CG-CD2 4.21Å; S143-L541 WeakPolarHBondContact OG-CB 3.24Å; S143-L541 VanDerWaalsContact OG-CD1 3.32Å; S143-L541 WeakPolarHBondContact OG-CD1 3.34Å; S143-L541 WeakPolarHBondContact OG-CD2 3.18Å; S143-L541 WeakPolarHBondContact OG-CG 3.27Å; R537-L541 WeakPolarHBondContact O-CG 3.36Å; A538-L541 WeakPolarHBondContact O-CB 3.39Å; A538-L541 PolarHBondContact O-N 3.31Å; G539-L541 PolarHBondContact O-N 3.36Å; L541-I543 PolarHBondContact O-N 3.48Å
542	G	59.9	Low	81	Confident	11 Å²	11	20 Å²	20	11%	0.113	10%	0.104	C	C	.	.	S	Bend	trans	69.1	-0.6	155.7	0	0	0	0	0	119
543	I	75	Confident	81.1	Confident	7 Å²	7	20 Å²	20	4%	0.036	10%	0.104	C	C	.	.			trans	-75.2	154.3	-177.2	60.8	-174.6	0	0	0	112.6	L507 M520 V534 L541 L545 R569	L507-I543 HydrophobicContact CD1-CD1 4.14Å; L507-I543 HydrophobicContact CD1-CG2 4.36Å; M520-I543 HydrophobicContact CE-CB 3.9Å; M520-I543 HydrophobicContact CE-CG2 3.93Å; M520-I543 HydrophobicContact SD-CB 4.39Å; M520-I543 HydrophobicContact SD-CG2 3.83Å; V534-I543 HydrophobicContact CG1-CD1 4.47Å; L541-I543 PolarHBondContact O-N 3.48Å; I543-L545 HydrophobicContact CD1-CD1 3.48Å; I543-L545 VanDerWaalsContact CD1-CD1 3.48Å; I543-L545 HydrophobicContact CD1-CG 4.28Å; I543-L545 HydrophobicContact CG1-CD1 3.93Å; I543-L545 HydrophobicContact CG1-CG 4.3Å; I543-R569 HydrophobicContact CG1-CB 4.47Å; I543-R569 HydrophobicContact CG1-CG 4.08Å; I543-R569 WeakPolarHBondContact O-CD 3.45Å
544	N	76.3	Confident	81.1	Confident	64 Å²	64	20 Å²	20	34%	0.342	10%	0.104	S	C	.	.			trans	-115.7	112.9	176.9	-168.5	28.6	0	0	0	109.9	T546	N544-T546 WeakPolarHBondContact OD1-CG2 3.48Å
545	L	81.2	Confident	81.2	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.			trans	-132.7	49.7	-172.8	-64.9	170.1	0	0	0	110.4	L481 F523 F532 I543 A547 A548 R569	L481-L545 HydrophobicContact CD1-CB 4.18Å; L481-L545 HydrophobicContact CD2-CB 4.38Å; L481-L545 HydrophobicContact CD2-CD1 3.68Å; F523-L545 HydrophobicContact CD1-CD2 3.94Å; F523-L545 HydrophobicContact CE1-CD2 4.39Å; F532-L545 HydrophobicContact CD1-CD1 3.84Å; F532-L545 HydrophobicContact CD1-CD2 4.1Å; F532-L545 HydrophobicContact CE1-CD1 3.79Å; F532-L545 HydrophobicContact CE1-CD2 3.86Å; F532-L545 HydrophobicContact CZ-CD2 4.5Å; I543-L545 HydrophobicContact CD1-CD1 3.48Å; I543-L545 VanDerWaalsContact CD1-CD1 3.48Å; I543-L545 HydrophobicContact CD1-CG 4.28Å; I543-L545 HydrophobicContact CG1-CD1 3.93Å; I543-L545 HydrophobicContact CG1-CG 4.3Å; L545-A547 PolarHBondContact O-N 3.5Å; L545-A548 PolarHBondContact O-N 3.29Å; L545-R569 PolarHBondContact N-O 2.97Å
546	T	82.8	Confident	81.2	Confident	31 Å²	31	20.1 Å²	20.1	19%	0.19	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.7	-179.2	49.9	0	0	0	0	113.7	N544 A548 R572 Q575	N544-T546 WeakPolarHBondContact OD1-CG2 3.48Å; T546-A548 PolarHBondContact O-N 3.42Å; T546-R572 HydrophobicContact CG2-CB 4.45Å; T546-Q575 PolarHBondContact O-NE2 3.23Å
547	A	85.6	Confident	81.3	Confident	39 Å²	39	21.3 Å²	21.3	32%	0.322	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.6	175.8	0	0	0	0	0	113.1	F523 N524 L545	F523-A547 HydrophobicContact CE1-CB 4.43Å; N524-A547 WeakPolarHBondContact OD1-CB 3.41Å; L545-A547 PolarHBondContact O-N 3.5Å
548	A	88	Confident	81.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.			trans	-87.9	143.4	176.9	0	0	0	0	0	111.6	L481 F523 L545 T546 Q575	L481-A548 HydrophobicContact CD1-CB 3.43Å; L481-A548 VanDerWaalsContact CD1-CB 3.43Å; L481-A548 HydrophobicContact CD2-CB 4.38Å; L481-A548 HydrophobicContact CG-CB 3.46Å; L481-A548 VanDerWaalsContact CG-CB 3.46Å; F523-A548 HydrophobicContact CE1-CB 4.02Å; F523-A548 HydrophobicContact CZ-CB 3.94Å; L545-A548 PolarHBondContact O-N 3.29Å; T546-A548 PolarHBondContact O-N 3.42Å; A548-Q575 PolarHBondContact O-NE2 3.45Å
549	D	89.7	Confident	82	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.102	C	C	.	.			trans	-116.6	-14.6	177	62.8	-11.3	0	0	0	112.7	H478 K479 K577 V579 V580 R665	H478-D549 WeakPolarHBondContact CB-OD1 3.5Å; H478-D549 IonicContact CE1-OD2 3.82Å; H478-D549 IonicContact CG-OD2 2.87Å; H478-D549 IonicContact ND1-OD1 3.93Å; H478-D549 IonicContact ND1-OD2 2.61Å; H478-D549 PolarHBondContact ND1-OD2 3.04Å; K479-D549 PolarHBondContact N-OD1 3.26Å; K479-D549 PolarHBondContact O-N 2.84Å; D549-K577 HydrophobicContact CB-CB 3.9Å; D549-K577 HydrophobicContact CB-CD 4.12Å; D549-V579 VanDerWaalsContact O-CA 3.28Å; D549-V579 WeakPolarHBondContact O-CA 3.28Å; D549-V580 PolarHBondContact O-N 3.45Å; D549-V580 VanDerWaalsContact O-N 3.09Å; D549-R665 VanDerWaalsContact CG-NH1 3.29Å; D549-R665 IonicContact OD1-NH1 3.64Å; D549-R665 IonicContact OD2-CZ 2.63Å; D549-R665 IonicContact OD2-NH1 2.7Å; D549-R665 PolarHBondContact OD2-NH1 3.16Å
550	T	91.1	Very high	82.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.9	-178	-43.8	0	0	0	0	110	L473 K479 V480 L481 Y582 R665	L473-T550 HydrophobicContact CD1-CG2 4.15Å; L473-T550 HydrophobicContact CD2-CG2 4.28Å; K479-T550 PolarHBondContact O-N 3.47Å; K479-T550 VanDerWaalsContact O-N 3.15Å; V480-T550 WeakPolarHBondContact CA-O 3.42Å; V480-T550 HydrophobicContact CG2-CG2 4.39Å; L481-T550 PolarHBondContact N-O 2.72Å; T550-Y582 HydrophobicContact CG2-CD2 3.82Å; T550-Y582 HydrophobicContact CG2-CE2 3.59Å; T550-R665 PolarHBondContact OG1-NH2 3.35Å
551	V	92.6	Very high	83.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.3	175.1	178.7	0	0	0	0	109.3	L481 F483 I553 C570 V579 V580 V581 Y582	L481-V551 HydrophobicContact CB-CG2 4.28Å; L481-V551 HydrophobicContact CD1-CG2 4.24Å; L481-V551 CarbonylContact O-C 3.54Å; L481-V551 WeakPolarHBondContact O-CA 3.33Å; F483-V551 HydrophobicContact CD2-CG1 3.62Å; F483-V551 HydrophobicContact CE2-CG1 3.63Å; V551-I553 HydrophobicContact CG1-CG1 4.28Å; V551-C570 HydrophobicContact CG2-CB 4.41Å; V551-C570 WeakPolarHBondContact CG2-SG 3.27Å; V551-V579 HydrophobicContact CG2-CG1 4.46Å; V551-V580 PolarHBondContact N-O 3.45Å; V551-V581 HydrophobicContact CB-CB 4.46Å; V551-V581 HydrophobicContact CB-CG1 4.24Å; V551-V581 HydrophobicContact CB-CG2 4.18Å; V551-V581 HydrophobicContact CG1-CG1 4.18Å; V551-V581 CarbonylContact O-C 3.48Å; V551-V581 WeakPolarHBondContact O-CA 3.42Å; V551-Y582 PolarHBondContact O-N 3.41Å
552	I	93.8	Very high	84.4	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	172.2	-56.7	-179.7	0	0	0	108.3	L466 L470 V480 L481 L482 F483 Y582 L584	L466-I552 HydrophobicContact CD2-CD1 3.97Å; L466-I552 HydrophobicContact CD2-CG2 4.1Å; L470-I552 HydrophobicContact CD2-CD1 4.17Å; V480-I552 HydrophobicContact CG1-CD1 3.67Å; V480-I552 HydrophobicContact CG1-CG1 3.88Å; L481-I552 PolarHBondContact O-N 3.41Å; L482-I552 WeakPolarHBondContact CA-O 3.36Å; L482-I552 HydrophobicContact CG-CB 4.45Å; F483-I552 PolarHBondContact N-O 2.92Å; I552-Y582 CarbonylContact C-O 3.58Å; I552-Y582 WeakPolarHBondContact CA-O 3.46Å; I552-Y582 HydrophobicContact CG1-CD2 4.22Å; I552-L584 HydrophobicContact CG2-CD1 4.15Å; I552-L584 HydrophobicContact CG2-CG 4.16Å
553	I	93.3	Very high	85.6	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104.9	170.9	-59.2	175.8	0	0	0	107	V551 D555 D563 Q567 V581 Y582 L584	V551-I553 HydrophobicContact CG1-CG1 4.28Å; I553-D555 WeakPolarHBondContact CG2-O 3.42Å; I553-D563 HydrophobicContact CD1-CB 4.13Å; I553-Q567 HydrophobicContact CD1-CG 4.3Å; I553-V581 HydrophobicContact CD1-CG1 4.03Å; I553-V581 HydrophobicContact CG1-CG1 4.38Å; I553-Y582 PolarHBondContact N-O 2.9Å; I553-L584 PolarHBondContact O-N 2.86Å
554	Y	93.5	Very high	85.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-73.1	-40.2	-177	-168.8	-92.9	0	0	0	112.3	N434 K462 F463 L466 F483 M489 L584	N434-Y554 HydrophobicContact CB-CE1 3.92Å; N434-Y554 PolarHBondContact O-OH 2.98Å; K462-Y554 HydrophobicContact CB-CE2 3.75Å; K462-Y554 VanDerWaalsContact CB-OH 3.31Å; K462-Y554 WeakPolarHBondContact CB-OH 3.25Å; K462-Y554 HydrophobicContact CD-CD1 4.39Å; K462-Y554 HydrophobicContact CD-CE1 3.83Å; K462-Y554 HydrophobicContact CD-CE2 4.11Å; K462-Y554 PolarHBondContact NZ-O 3.4Å; F463-Y554 WeakPolarHBondContact CD2-OH 3.25Å; F463-Y554 WeakPolarHBondContact CE2-OH 3.49Å; L466-Y554 HydrophobicContact CD1-CD2 3.77Å; L466-Y554 HydrophobicContact CD1-CE2 3.53Å; L466-Y554 HydrophobicContact CG-CE2 4.46Å; F483-Y554 WeakPolarHBondContact O-CB 3.46Å; F483-Y554 PolarHBondContact O-N 3.19Å; M489-Y554 HydrophobicContact CE-CD1 4.02Å; M489-Y554 HydrophobicContact CE-CE1 3.34Å; M489-Y554 HydrophobicContact CE-CE2 3.99Å; M489-Y554 WeakPolarHBondContact CE-OH 3.25Å; M489-Y554 HydrophobicContact CG-CD1 4.02Å; M489-Y554 HydrophobicContact CG-CE1 3.98Å; M489-Y554 HydrophobicContact SD-CD1 4.33Å; M489-Y554 HydrophobicContact SD-CE1 3.68Å; Y554-L584 HydrophobicContact CD2-CD1 3.79Å; Y554-L584 HydrophobicContact CE2-CD1 4.12Å
555	D	91.4	Very high	86	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.09	C	C	.	.	S	Bend	trans	-138.5	140.4	173.1	65.9	-16.4	0	0	0	111.7	R430 N434 S484 Q485 I553	R430-D555 IonicContact NH2-OD2 3.74Å; N434-D555 PolarHBondContact ND2-OD2 2.65Å; N434-D555 WeakPolarHBondContact OD1-CB 3.5Å; S484-D555 WeakPolarHBondContact CA-OD1 3.38Å; Q485-D555 WeakPolarHBondContact CB-OD2 3.47Å; Q485-D555 PolarHBondContact N-OD1 3.35Å; I553-D555 WeakPolarHBondContact CG2-O 3.42Å
556	S	88.9	Confident	86.1	Confident	9 Å²	9	16.4 Å²	16.4	6%	0.063	9%	0.091	C	C	.	.			trans	-91.1	146.6	-172.7	-59.4	0	0	0	0	111.8	R430 R583	R430-S556 PolarHBondContact NH2-O 3.12Å; S556-R583 PolarHBondContact OG-NH1 3.36Å
557	D	86.8	Confident	86.2	Confident	26 Å²	26	15 Å²	15	14%	0.139	8%	0.082	C	C	.	.			trans	-79.8	157.1	170.1	-150.5	-37.5	0	0	0	111.3	Q485 N559 S562 D563	Q485-D557 PolarHBondContact NE2-OD2 2.94Å; D557-N559 PolarHBondContact O-N 3.49Å; D557-N559 PolarHBondContact OD1-N 2.92Å; D557-S562 VanDerWaalsContact OD2-CB 3.32Å; D557-S562 WeakPolarHBondContact OD2-CB 3.37Å; D557-S562 PolarHBondContact OD2-OG 3.18Å; D557-D563 PolarHBondContact N-OD2 2.9Å
558	W	83.3	Confident	86	Confident	80 Å²	80	13.6 Å²	13.6	30%	0.303	7%	0.069	S	C	.	.	S	Bend	trans	-69	-23.1	166.8	-70.9	99.3	0	0	0	113.5	M426 I594 K601	M426-W558 HydrophobicContact CE-CH2 3.36Å; M426-W558 HydrophobicContact CE-CZ2 3.12Å; W558-I594 HydrophobicContact CD2-CG1 4.25Å; W558-I594 HydrophobicContact CD2-CG2 4.3Å; W558-I594 HydrophobicContact CE3-CG1 4.23Å; W558-I594 HydrophobicContact CE3-CG2 4.37Å; W558-I594 HydrophobicContact CH2-CG1 3.89Å; W558-I594 HydrophobicContact CZ2-CD1 4.18Å; W558-I594 HydrophobicContact CZ2-CG1 3.91Å; W558-I594 HydrophobicContact CZ3-CG1 4.03Å; W558-K601 PolarHBondContact O-NZ 3.38Å
559	N	81.3	Confident	85.6	Confident	53 Å²	53	14 Å²	14	28%	0.283	7%	0.071	S	C	.	.	S	Bend	trans	-101.8	105.4	175.9	-176.5	22.1	0	0	0	109.4	D557 Q561 S562	D557-N559 PolarHBondContact O-N 3.49Å; D557-N559 PolarHBondContact OD1-N 2.92Å; N559-Q561 PolarHBondContact O-N 2.76Å; N559-Q561 WeakPolarHBondContact OD1-CB 3.27Å; N559-S562 PolarHBondContact O-N 3.42Å
560	P	80.3	Confident	85.2	Confident	10 Å²	10	14 Å²	14	7%	0.065	7%	0.07	C	C	.	.	H	α-helix	trans	-54.3	-31.1	-179.5	-20.9	28.5	0	0	0	113	S562 D563 L564 A598 K601	P560-S562 VanDerWaalsContact C-N 3.29Å; P560-S562 PolarHBondContact O-N 2.91Å; P560-D563 PolarHBondContact O-N 3.05Å; P560-D563 VanDerWaalsContact O-N 3.11Å; P560-L564 HydrophobicContact CB-CD1 4.35Å; P560-L564 WeakPolarHBondContact O-CD1 3.35Å; P560-L564 PolarHBondContact O-N 3.22Å; P560-A598 HydrophobicContact CG-CB 3.89Å; P560-A598 WeakPolarHBondContact CG-O 3.16Å; P560-K601 HydrophobicContact CG-CB 4.14Å
561	Q	77.8	Confident	84.8	Confident	9 Å²	9	14.8 Å²	14.8	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-59.2	-37.1	-179.2	-166.1	-174.1	-36.5	0	0	112.9	T246 N559 D563 L564 Q565	T246-Q561 VanDerWaalsContact CB-CD 3.44Å; T246-Q561 VanDerWaalsContact CG2-CD 3.43Å; T246-Q561 HydrophobicContact CG2-CG 3.56Å; T246-Q561 PolarHBondContact OG1-NE2 2.7Å; N559-Q561 PolarHBondContact O-N 2.76Å; N559-Q561 WeakPolarHBondContact OD1-CB 3.27Å; Q561-D563 VanDerWaalsContact C-N 3.28Å; Q561-D563 PolarHBondContact O-N 3.04Å; Q561-L564 PolarHBondContact O-N 3.34Å; Q561-Q565 WeakPolarHBondContact O-CB 3.02Å; Q561-Q565 WeakPolarHBondContact O-CG 3.23Å; Q561-Q565 PolarHBondContact O-N 2.85Å
562	S	80.7	Confident	84.1	Confident	25 Å²	25	16.8 Å²	16.8	18%	0.175	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-42	176.5	-57.3	0	0	0	0	111.1	D557 N559 P560 Q565 A566	D557-S562 VanDerWaalsContact OD2-CB 3.32Å; D557-S562 WeakPolarHBondContact OD2-CB 3.37Å; D557-S562 PolarHBondContact OD2-OG 3.18Å; N559-S562 PolarHBondContact O-N 3.42Å; P560-S562 VanDerWaalsContact C-N 3.29Å; P560-S562 PolarHBondContact O-N 2.91Å; S562-Q565 PolarHBondContact O-N 3.38Å; S562-A566 PolarHBondContact O-N 3.05Å; S562-A566 VanDerWaalsContact O-N 3.13Å
563	D	83.9	Confident	83.2	Confident	3 Å²	3	18.9 Å²	18.9	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-73.5	-40.5	-178.7	-65.7	-3.8	0	0	0	111	I553 D557 P560 Q561 Q565 A566 Q567 R583	I553-D563 HydrophobicContact CD1-CB 4.13Å; D557-D563 PolarHBondContact N-OD2 2.9Å; P560-D563 PolarHBondContact O-N 3.05Å; P560-D563 VanDerWaalsContact O-N 3.11Å; Q561-D563 VanDerWaalsContact C-N 3.28Å; Q561-D563 PolarHBondContact O-N 3.04Å; D563-Q565 VanDerWaalsContact C-N 3.32Å; D563-Q565 PolarHBondContact O-N 3.03Å; D563-A566 WeakPolarHBondContact O-CB 3.14Å; D563-A566 PolarHBondContact O-N 3.07Å; D563-Q567 VanDerWaalsContact O-CG 3.3Å; D563-Q567 WeakPolarHBondContact O-CG 3.28Å; D563-Q567 PolarHBondContact O-N 3.45Å; D563-R583 IonicContact OD2-CZ 3.57Å; D563-R583 IonicContact OD2-NH1 2.68Å; D563-R583 PolarHBondContact OD2-NH1 3.18Å; D563-R583 IonicContact OD2-NH2 3.49Å
564	L	80.3	Confident	82.3	Confident	39 Å²	39	21.4 Å²	21.4	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-43.8	172.1	-89.4	84.8	0	0	0	111.2	P560 Q561 A566 Q567 D568	P560-L564 HydrophobicContact CB-CD1 4.35Å; P560-L564 WeakPolarHBondContact O-CD1 3.35Å; P560-L564 PolarHBondContact O-N 3.22Å; Q561-L564 PolarHBondContact O-N 3.34Å; L564-A566 PolarHBondContact O-N 3.08Å; L564-Q567 PolarHBondContact O-N 3.39Å; L564-D568 WeakPolarHBondContact O-CB 3.41Å; L564-D568 PolarHBondContact O-N 2.94Å
565	Q	80.8	Confident	81.7	Confident	15 Å²	15	22 Å²	22	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-34.7	176.8	-76.8	-176.5	-1	0	0	112.6	M112 Q561 S562 D563 R569	M112-Q565 HydrophobicContact CE-CB 3.98Å; M112-Q565 HydrophobicContact CE-CG 3.7Å; M112-Q565 HydrophobicContact SD-CB 4.24Å; M112-Q565 HydrophobicContact SD-CG 3.52Å; M112-Q565 VanDerWaalsContact SD-CG 3.52Å; Q561-Q565 WeakPolarHBondContact O-CB 3.02Å; Q561-Q565 WeakPolarHBondContact O-CG 3.23Å; Q561-Q565 PolarHBondContact O-N 2.85Å; S562-Q565 PolarHBondContact O-N 3.38Å; D563-Q565 VanDerWaalsContact C-N 3.32Å; D563-Q565 PolarHBondContact O-N 3.03Å; Q565-R569 WeakPolarHBondContact O-CG 3.39Å; Q565-R569 PolarHBondContact O-NE 3.49Å
566	A	82.4	Confident	81.3	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-72.6	-44.2	175.9	0	0	0	0	0	111.5	F483 T536 S562 D563 L564 D568 R569	F483-A566 HydrophobicContact CD1-CB 4Å; F483-A566 HydrophobicContact CD2-CB 4.23Å; F483-A566 HydrophobicContact CE1-CB 3.82Å; F483-A566 HydrophobicContact CE2-CB 4.06Å; F483-A566 HydrophobicContact CG-CB 4.2Å; F483-A566 HydrophobicContact CZ-CB 3.85Å; T536-A566 HydrophobicContact CG2-CB 4.46Å; S562-A566 PolarHBondContact O-N 3.05Å; S562-A566 VanDerWaalsContact O-N 3.13Å; D563-A566 WeakPolarHBondContact O-CB 3.14Å; D563-A566 PolarHBondContact O-N 3.07Å; L564-A566 PolarHBondContact O-N 3.08Å; A566-D568 PolarHBondContact O-N 2.58Å; A566-R569 VanDerWaalsContact O-CB 3.31Å; A566-R569 WeakPolarHBondContact O-CB 3.41Å; A566-R569 WeakPolarHBondContact O-CG 3.45Å; A566-R569 PolarHBondContact O-N 2.67Å
567	Q	85.4	Confident	81.1	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-43.4	176.1	-67.5	171.8	17.3	0	0	112	I553 D563 L564 R569 C570 H571 V581	I553-Q567 HydrophobicContact CD1-CG 4.3Å; D563-Q567 VanDerWaalsContact O-CG 3.3Å; D563-Q567 WeakPolarHBondContact O-CG 3.28Å; D563-Q567 PolarHBondContact O-N 3.45Å; L564-Q567 PolarHBondContact O-N 3.39Å; Q567-R569 PolarHBondContact O-N 3.06Å; Q567-C570 PolarHBondContact O-N 2.62Å; Q567-C570 VanDerWaalsContact O-N 3.15Å; Q567-C570 PolarHBondContact O-SG 3.21Å; Q567-H571 PolarHBondContact O-N 3.14Å; Q567-V581 HydrophobicContact CG-CG1 3.96Å; Q567-V581 HydrophobicContact CG-CG2 4.02Å
568	D	79.9	Confident	81	Confident	9 Å²	9	30.8 Å²	30.8	5%	0.048	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5	179.5	-76.1	-25.9	0	0	0	113.8	M112 K315 L564 A566	M112-D568 HydrophobicContact CB-CB 4.23Å; M112-D568 HydrophobicContact CE-CB 4.48Å; K315-D568 IonicContact NZ-OD1 3.93Å; K315-D568 PolarHBondContact NZ-OD1 3.06Å; L564-D568 WeakPolarHBondContact O-CB 3.41Å; L564-D568 PolarHBondContact O-N 2.94Å; A566-D568 PolarHBondContact O-N 2.58Å
569	R	80.3	Confident	81.3	Confident	8 Å²	8	27 Å²	27	3%	0.03	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.9	172.2	-56.2	-61.6	146.5	-172.2	9.1	113.3	G539 G540 I543 L545 Q565 A566 Q567	G539-R569 WeakPolarHBondContact O-CG 3.29Å; G539-R569 PolarHBondContact O-NE 2.85Å; G540-R569 PolarHBondContact O-NH2 3.41Å; I543-R569 HydrophobicContact CG1-CB 4.47Å; I543-R569 HydrophobicContact CG1-CG 4.08Å; I543-R569 WeakPolarHBondContact O-CD 3.45Å; L545-R569 PolarHBondContact N-O 2.97Å; Q565-R569 WeakPolarHBondContact O-CG 3.39Å; Q565-R569 PolarHBondContact O-NE 3.49Å; A566-R569 VanDerWaalsContact O-CB 3.31Å; A566-R569 WeakPolarHBondContact O-CB 3.41Å; A566-R569 WeakPolarHBondContact O-CG 3.45Å; A566-R569 PolarHBondContact O-N 2.67Å; Q567-R569 PolarHBondContact O-N 3.06Å
570	C	81.2	Confident	81.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-34.9	174.2	69.7	0	0	0	0	111.8	L481 V551 Q567 R572 Q575 V579	L481-C570 HydrophobicContact CD1-CB 3.76Å; V551-C570 HydrophobicContact CG2-CB 4.41Å; V551-C570 WeakPolarHBondContact CG2-SG 3.27Å; Q567-C570 PolarHBondContact O-N 2.62Å; Q567-C570 VanDerWaalsContact O-N 3.15Å; Q567-C570 PolarHBondContact O-SG 3.21Å; C570-R572 PolarHBondContact O-N 3.25Å; C570-Q575 PolarHBondContact O-NE2 3.17Å; C570-V579 VanDerWaalsContact SG-CG1 3.55Å
571	H	82.9	Confident	82.2	Confident	18 Å²	18	24.1 Å²	24.1	8%	0.083	14%	0.138	C	C	.	.	S	Bend	trans	-83.5	69.4	175.5	-169.6	-104	0	0	0	110.6	K315 V322 P323 Q567	K315-H571 PolarHBondContact NZ-ND1 3.26Å; K315-H571 PolarHBondContact NZ-O 3.29Å; V322-H571 VanDerWaalsContact CG1-NE2 3.31Å; V322-H571 WeakPolarHBondContact CG1-NE2 3.47Å; P323-H571 PolarHBondContact O-NE2 2.89Å; Q567-H571 PolarHBondContact O-N 3.14Å
572	R	78.8	Confident	82.9	Confident	42 Å²	42	23.7 Å²	23.7	16%	0.158	14%	0.136	C	C	.	.	S	Bend	trans	-138.5	161.9	-177	-169.4	170.3	-177.7	175.1	6.7	110.8	T546 C570 G574 Q575	T546-R572 HydrophobicContact CG2-CB 4.45Å; C570-R572 PolarHBondContact O-N 3.25Å; R572-G574 PolarHBondContact O-N 3.16Å; R572-Q575 VanDerWaalsContact O-CB 3.24Å; R572-Q575 WeakPolarHBondContact O-CB 3.33Å; R572-Q575 PolarHBondContact O-N 3.15Å
573	I	73.3	Confident	83.4	Confident	44 Å²	44	23.2 Å²	23.2	23%	0.226	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	123.4	168.4	-56.5	177.6	0	0	0	109.6	R86 Y88 G113 L320	R86-I573 VanDerWaalsContact NH2-CG2 3.31Å; Y88-I573 WeakPolarHBondContact OH-CD1 3.41Å; G113-I573 VanDerWaalsContact O-CD1 3.27Å; G113-I573 WeakPolarHBondContact O-CD1 3.49Å; L320-I573 HydrophobicContact CD1-CD1 3.87Å; L320-I573 HydrophobicContact CD1-CG1 4.15Å; L320-I573 HydrophobicContact CD2-CD1 4Å; L320-I573 HydrophobicContact CD2-CG1 4.5Å
574	G	75.5	Confident	83.8	Confident	54 Å²	54	23.1 Å²	23.1	56%	0.557	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	110.8	-14.1	-172.6	0	0	0	0	0	113.5	R572	R572-G574 PolarHBondContact O-N 3.16Å
575	Q	81.4	Confident	84.3	Confident	12 Å²	12	21.3 Å²	21.3	6%	0.056	12%	0.12	C	C	.	.			trans	-71.8	133.5	169.1	-178.7	58.4	-92.2	0	0	110.6	P323 T546 A548 C570 R572 K577 V579	P323-Q575 WeakPolarHBondContact CD-O 3.37Å; P323-Q575 HydrophobicContact CG-CG 4.25Å; T546-Q575 PolarHBondContact O-NE2 3.23Å; A548-Q575 PolarHBondContact O-NE2 3.45Å; C570-Q575 PolarHBondContact O-NE2 3.17Å; R572-Q575 VanDerWaalsContact O-CB 3.24Å; R572-Q575 WeakPolarHBondContact O-CB 3.33Å; R572-Q575 PolarHBondContact O-N 3.15Å; Q575-K577 WeakPolarHBondContact CG-O 3.33Å; Q575-K577 PolarHBondContact OE1-O 3Å; Q575-V579 HydrophobicContact CG-CG2 3.83Å
576	T	81.8	Confident	84.7	Confident	111 Å²	111	20.6 Å²	20.6	68%	0.681	12%	0.117	S	C	*	.			trans	-111	-22.7	178.4	53.6	0	0	0	0	112.5
577	K	84.4	Confident	84.7	Confident	99 Å²	99	22.2 Å²	22.2	43%	0.43	13%	0.13	S	C	.	.	S	Bend	trans	-102	148.4	-178.3	-64.3	-177.7	179.8	-178.1	0	111.5	D549 Q575 V579	D549-K577 HydrophobicContact CB-CB 3.9Å; D549-K577 HydrophobicContact CB-CD 4.12Å; Q575-K577 WeakPolarHBondContact CG-O 3.33Å; Q575-K577 PolarHBondContact OE1-O 3Å; K577-V579 PolarHBondContact O-N 3.3Å
578	P	86.1	Confident	84.6	Confident	11 Å²	11	28.7 Å²	28.7	7%	0.071	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-62.7	136.3	171.7	26.9	-33.6	0	0	0	110.4	L668 I669	P578-L668 HydrophobicContact CB-CB 3.84Å; P578-L668 HydrophobicContact CB-CD1 4.29Å; P578-L668 HydrophobicContact CG-CB 4.33Å; P578-I669 HydrophobicContact CG-CG1 4.18Å
579	V	88.6	Confident	85	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.1	-173.5	177.6	0	0	0	0	110.5	P324 K325 R326 D549 V551 C570 Q575 K577 V581	P324-V579 PolarHBondContact O-N 3.44Å; K325-V579 VanDerWaalsContact CA-O 3.24Å; K325-V579 WeakPolarHBondContact CA-O 3.38Å; K325-V579 HydrophobicContact CB-CB 4.41Å; R326-V579 PolarHBondContact N-O 3Å; D549-V579 VanDerWaalsContact O-CA 3.28Å; D549-V579 WeakPolarHBondContact O-CA 3.28Å; V551-V579 HydrophobicContact CG2-CG1 4.46Å; C570-V579 VanDerWaalsContact SG-CG1 3.55Å; Q575-V579 HydrophobicContact CG-CG2 3.83Å; K577-V579 PolarHBondContact O-N 3.3Å; V579-V581 HydrophobicContact CG1-CG2 4.35Å
580	V	90.4	Very high	85.4	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	174.3	-171.7	0	0	0	0	110	V328 D549 V551 Y582 R665 L668	V328-V580 HydrophobicContact CG2-CG1 4.49Å; D549-V580 PolarHBondContact O-N 3.45Å; D549-V580 VanDerWaalsContact O-N 3.09Å; V551-V580 PolarHBondContact N-O 3.45Å; V580-Y582 HydrophobicContact CB-CE2 4.29Å; V580-Y582 HydrophobicContact CG1-CD1 4.4Å; V580-Y582 HydrophobicContact CG1-CD2 4.4Å; V580-Y582 HydrophobicContact CG1-CE1 3.77Å; V580-Y582 HydrophobicContact CG1-CE2 3.81Å; V580-Y582 VanDerWaalsContact CG1-CZ 3.45Å; V580-R665 HydrophobicContact CG2-CG 4.18Å; V580-L668 HydrophobicContact CG2-CD1 3.8Å
581	V	91	Very high	85.7	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.2	178.5	-173.8	0	0	0	0	109.3	R326 E327 V328 V551 I553 Q567 V579	R326-V581 PolarHBondContact O-N 2.89Å; E327-V581 WeakPolarHBondContact CA-O 3.47Å; E327-V581 HydrophobicContact CG-CB 4.44Å; V328-V581 PolarHBondContact N-O 2.79Å; V551-V581 HydrophobicContact CB-CB 4.46Å; V551-V581 HydrophobicContact CB-CG1 4.24Å; V551-V581 HydrophobicContact CB-CG2 4.18Å; V551-V581 HydrophobicContact CG1-CG1 4.18Å; V551-V581 CarbonylContact O-C 3.48Å; V551-V581 WeakPolarHBondContact O-CA 3.42Å; I553-V581 HydrophobicContact CD1-CG1 4.03Å; I553-V581 HydrophobicContact CG1-CG1 4.38Å; Q567-V581 HydrophobicContact CG-CG1 3.96Å; Q567-V581 HydrophobicContact CG-CG2 4.02Å; V579-V581 HydrophobicContact CG1-CG2 4.35Å
582	Y	91.8	Very high	85.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.8	173.1	-59.4	-72	0	0	0	110.3	V328 V330 M469 T550 V551 I552 I553 V580 L662	V328-Y582 HydrophobicContact CB-CD1 4.02Å; V328-Y582 HydrophobicContact CB-CE1 4.3Å; V328-Y582 HydrophobicContact CG1-CD1 4.4Å; V328-Y582 HydrophobicContact CG2-CE1 4.44Å; V328-Y582 CarbonylContact O-C 3.53Å; V328-Y582 WeakPolarHBondContact O-CA 3.22Å; V330-Y582 HydrophobicContact CG2-CD1 4.14Å; M469-Y582 HydrophobicContact CE-CD1 3.93Å; M469-Y582 HydrophobicContact CE-CD2 3.61Å; M469-Y582 HydrophobicContact CE-CE1 4.16Å; M469-Y582 HydrophobicContact CE-CE2 3.81Å; M469-Y582 HydrophobicContact CE-CG 3.66Å; T550-Y582 HydrophobicContact CG2-CD2 3.82Å; T550-Y582 HydrophobicContact CG2-CE2 3.59Å; V551-Y582 PolarHBondContact O-N 3.41Å; I552-Y582 CarbonylContact C-O 3.58Å; I552-Y582 WeakPolarHBondContact CA-O 3.46Å; I552-Y582 HydrophobicContact CG1-CD2 4.22Å; I553-Y582 PolarHBondContact N-O 2.9Å; V580-Y582 HydrophobicContact CB-CE2 4.29Å; V580-Y582 HydrophobicContact CG1-CD1 4.4Å; V580-Y582 HydrophobicContact CG1-CD2 4.4Å; V580-Y582 HydrophobicContact CG1-CE1 3.77Å; V580-Y582 HydrophobicContact CG1-CE2 3.81Å; V580-Y582 VanDerWaalsContact CG1-CZ 3.45Å; Y582-L662 HydrophobicContact CD1-CD2 3.98Å; Y582-L662 HydrophobicContact CD1-CG 4.41Å; Y582-L662 HydrophobicContact CE1-CD2 3.29Å; Y582-L662 HydrophobicContact CE1-CG 3.79Å; Y582-L662 PolarHBondContact OH-O 3.24Å; Y582-L662 VanDerWaalsContact OH-O 3.13Å
583	R	92	Very high	86.4	Confident	14 Å²	14	35 Å²	35	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.6	174.7	-176.8	-179.3	-61.7	-83.1	-0.1	109.4	E327 V328 V329 V330 S556 D563 V585	E327-R583 IonicContact OE1-CZ 2.74Å; E327-R583 IonicContact OE1-NE 3.58Å; E327-R583 PolarHBondContact OE1-NE 2.94Å; E327-R583 IonicContact OE1-NH2 3.98Å; E327-R583 PolarHBondContact OE1-NH2 3.06Å; V328-R583 PolarHBondContact O-N 2.92Å; V329-R583 WeakPolarHBondContact CA-O 3.48Å; V329-R583 HydrophobicContact CG2-CB 4.2Å; V330-R583 PolarHBondContact N-O 3.41Å; S556-R583 PolarHBondContact OG-NH1 3.36Å; D563-R583 IonicContact OD2-CZ 3.57Å; D563-R583 IonicContact OD2-NH1 2.68Å; D563-R583 PolarHBondContact OD2-NH1 3.18Å; D563-R583 IonicContact OD2-NH2 3.49Å; R583-V585 HydrophobicContact CG-CG2 4.08Å
584	L	91.4	Very high	87.1	Confident	2 Å²	2	33 Å²	33	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.6	178.3	-57.4	-174.5	0	0	0	110.2	V330 K462 I465 L466 I552 I553 Y554	V330-L584 HydrophobicContact CB-CD2 3.9Å; V330-L584 HydrophobicContact CG1-CD2 4.38Å; V330-L584 HydrophobicContact CG2-CD2 4.42Å; K462-L584 HydrophobicContact CB-CD1 4.41Å; K462-L584 HydrophobicContact CD-CB 4.4Å; I465-L584 HydrophobicContact CG2-CD2 4.18Å; L466-L584 HydrophobicContact CD1-CD1 4.46Å; L466-L584 HydrophobicContact CD2-CD1 3.91Å; L466-L584 HydrophobicContact CG-CD1 3.96Å; I552-L584 HydrophobicContact CG2-CD1 4.15Å; I552-L584 HydrophobicContact CG2-CG 4.16Å; I553-L584 PolarHBondContact O-N 2.86Å; Y554-L584 HydrophobicContact CD2-CD1 3.79Å; Y554-L584 HydrophobicContact CE2-CD1 4.12Å
585	V	90.5	Very high	87.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.4	-178.5	-177.7	0	0	0	0	109.4	V329 V330 Y331 A332 R583 D591 Q592 V595	V329-V585 HydrophobicContact CG1-CB 4.23Å; V329-V585 HydrophobicContact CG1-CG2 3.74Å; V330-V585 PolarHBondContact O-N 2.94Å; Y331-V585 CarbonylContact C-O 3.43Å; Y331-V585 VanDerWaalsContact CA-O 3.25Å; Y331-V585 WeakPolarHBondContact CA-O 3.26Å; Y331-V585 HydrophobicContact CD1-CB 4.11Å; Y331-V585 HydrophobicContact CD1-CG1 4.08Å; Y331-V585 HydrophobicContact CE1-CB 4.19Å; Y331-V585 HydrophobicContact CE1-CG1 3.9Å; A332-V585 PolarHBondContact N-O 3.2Å; R583-V585 HydrophobicContact CG-CG2 4.08Å; V585-D591 HydrophobicContact CG1-CB 4.26Å; V585-Q592 HydrophobicContact CG1-CB 4.09Å; V585-V595 HydrophobicContact CG2-CG2 3.81Å
586	T	88.6	Confident	87.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.7	171.3	44.7	0	0	0	0	110.1	A332 L334 C433 K462 T589 D591	A332-T586 HydrophobicContact CB-CG2 4.21Å; A332-T586 WeakPolarHBondContact O-CA 3.34Å; L334-T586 HydrophobicContact CD2-CG2 4.19Å; C433-T586 HydrophobicContact CB-CG2 4.43Å; K462-T586 HydrophobicContact CD-CG2 4.44Å; K462-T586 HydrophobicContact CG-CG2 4.1Å; T586-T589 PolarHBondContact O-OG1 3.33Å; T586-T589 VanDerWaalsContact O-OG1 3.04Å; T586-T589 PolarHBondContact OG1-OG1 3.4Å; T586-D591 WeakPolarHBondContact OG1-CB 3.42Å; T586-D591 PolarHBondContact OG1-OD2 3.09Å; T586-D591 VanDerWaalsContact OG1-OD2 3.06Å
587	A	83.3	Confident	87.9	Confident	34 Å²	34	37.3 Å²	37.3	28%	0.281	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	142.9	-177.2	0	0	0	0	0	111.9	Y331 A332 T589	Y331-A587 HydrophobicContact CD1-CB 4.24Å; A332-A587 PolarHBondContact O-N 2.86Å; A587-T589 WeakPolarHBondContact O-CG2 3.45Å; A587-T589 PolarHBondContact O-N 3.03Å
588	N	83.7	Confident	87.7	Confident	140 Å²	140	33.1 Å²	33.1	75%	0.749	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	20.3	179.5	-57.2	-40	0	0	0	115.5
589	T	88.4	Confident	87.4	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.025	16%	0.164	C	C	.	.	S	Bend	trans	-113.1	-174.7	179.7	74	0	0	0	0	112.5	L334 Y342 T586 A587 D591 Q592	L334-T589 HydrophobicContact CD1-CG2 3.68Å; L334-T589 HydrophobicContact CD2-CG2 4.06Å; L334-T589 HydrophobicContact CG-CG2 4.03Å; Y342-T589 HydrophobicContact CE2-CG2 4.24Å; Y342-T589 WeakPolarHBondContact OH-CA 3.47Å; T586-T589 PolarHBondContact O-OG1 3.33Å; T586-T589 VanDerWaalsContact O-OG1 3.04Å; T586-T589 PolarHBondContact OG1-OG1 3.4Å; A587-T589 WeakPolarHBondContact O-CG2 3.45Å; A587-T589 PolarHBondContact O-N 3.03Å; T589-D591 PolarHBondContact O-N 2.74Å; T589-D591 PolarHBondContact OG1-N 2.91Å; T589-D591 VanDerWaalsContact OG1-N 3.14Å; T589-Q592 PolarHBondContact O-N 2.72Å
590	I	88.4	Confident	86.8	Confident	22 Å²	22	35.8 Å²	35.8	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-29.7	172	-156.8	62.1	0	0	0	113.4	Y342 M426 L429 R430 Q592 K593 I594	Y342-I590 PolarHBondContact OH-N 2.7Å; M426-I590 HydrophobicContact CE-CD1 3.42Å; M426-I590 VanDerWaalsContact CE-CD1 3.42Å; M426-I590 HydrophobicContact CE-CG1 3.18Å; M426-I590 HydrophobicContact SD-CD1 3.61Å; M426-I590 HydrophobicContact SD-CG1 3.43Å; M426-I590 WeakPolarHBondContact SD-CG1 3.33Å; L429-I590 HydrophobicContact CB-CB 4.5Å; L429-I590 HydrophobicContact CB-CG2 3.97Å; R430-I590 HydrophobicContact CG-CG2 4.17Å; I590-Q592 VanDerWaalsContact C-N 3.34Å; I590-Q592 PolarHBondContact O-N 3.23Å; I590-K593 HydrophobicContact CD1-CD 4.38Å; I590-K593 PolarHBondContact O-N 3.29Å; I590-I594 HydrophobicContact CG1-CD1 4.48Å; I590-I594 WeakPolarHBondContact O-CG1 3.37Å; I590-I594 PolarHBondContact O-N 3.22Å
591	D	86.8	Confident	86.1	Confident	11 Å²	11	40.8 Å²	40.8	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-44.4	179.2	-77.3	-3.4	0	0	0	110.5	C433 K462 V585 T586 T589 K593 I594 V595	C433-D591 WeakPolarHBondContact CB-OD2 3.36Å; K462-D591 WeakPolarHBondContact CE-OD2 3.29Å; K462-D591 IonicContact NZ-OD2 3.8Å; K462-D591 PolarHBondContact NZ-OD2 3.43Å; V585-D591 HydrophobicContact CG1-CB 4.26Å; T586-D591 WeakPolarHBondContact OG1-CB 3.42Å; T586-D591 PolarHBondContact OG1-OD2 3.09Å; T586-D591 VanDerWaalsContact OG1-OD2 3.06Å; T589-D591 PolarHBondContact O-N 2.74Å; T589-D591 PolarHBondContact OG1-N 2.91Å; T589-D591 VanDerWaalsContact OG1-N 3.14Å; D591-K593 VanDerWaalsContact C-N 3.34Å; D591-K593 PolarHBondContact O-N 3.08Å; D591-I594 PolarHBondContact O-N 2.85Å; D591-V595 WeakPolarHBondContact O-CG2 3.33Å; D591-V595 PolarHBondContact O-N 3.42Å
592	Q	88.8	Confident	85.2	Confident	45 Å²	45	42.4 Å²	42.4	21%	0.21	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-45.2	176.7	-178.2	178.7	-15.4	0	0	111.5	Y331 V585 T589 I590 I594 V595 E596	Y331-Q592 HydrophobicContact CE1-CG 4.48Å; V585-Q592 HydrophobicContact CG1-CB 4.09Å; T589-Q592 PolarHBondContact O-N 2.72Å; I590-Q592 VanDerWaalsContact C-N 3.34Å; I590-Q592 PolarHBondContact O-N 3.23Å; Q592-I594 VanDerWaalsContact C-N 3.3Å; Q592-I594 PolarHBondContact O-N 2.89Å; Q592-V595 PolarHBondContact O-N 3.28Å; Q592-E596 HydrophobicContact CG-CG 4.46Å; Q592-E596 WeakPolarHBondContact CG-OE1 3.4Å; Q592-E596 PolarHBondContact NE2-OE1 3.33Å; Q592-E596 WeakPolarHBondContact O-CG 3.19Å; Q592-E596 PolarHBondContact O-N 3.36Å
593	K	87.8	Confident	84	Confident	127 Å²	127	45.7 Å²	45.7	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-63.2	-35.4	177.7	-69.6	-174.5	177.8	178.7	0	112.7	I590 D591 R597	I590-K593 HydrophobicContact CD1-CD 4.38Å; I590-K593 PolarHBondContact O-N 3.29Å; D591-K593 VanDerWaalsContact C-N 3.34Å; D591-K593 PolarHBondContact O-N 3.08Å; K593-R597 WeakPolarHBondContact O-CB 3.33Å; K593-R597 WeakPolarHBondContact O-CG 3.47Å; K593-R597 PolarHBondContact O-N 2.8Å; K593-R597 VanDerWaalsContact O-N 3.08Å
594	I	88.2	Confident	82.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-46.9	176	-68.5	166.4	0	0	0	109.5	M426 R430 W558 I590 D591 Q592 R597 A598	M426-I594 HydrophobicContact CE-CD1 4.32Å; M426-I594 HydrophobicContact CE-CG1 4.42Å; R430-I594 HydrophobicContact CG-CD1 4.22Å; W558-I594 HydrophobicContact CD2-CG1 4.25Å; W558-I594 HydrophobicContact CD2-CG2 4.3Å; W558-I594 HydrophobicContact CE3-CG1 4.23Å; W558-I594 HydrophobicContact CE3-CG2 4.37Å; W558-I594 HydrophobicContact CH2-CG1 3.89Å; W558-I594 HydrophobicContact CZ2-CD1 4.18Å; W558-I594 HydrophobicContact CZ2-CG1 3.91Å; W558-I594 HydrophobicContact CZ3-CG1 4.03Å; I590-I594 HydrophobicContact CG1-CD1 4.48Å; I590-I594 WeakPolarHBondContact O-CG1 3.37Å; I590-I594 PolarHBondContact O-N 3.22Å; D591-I594 PolarHBondContact O-N 2.85Å; Q592-I594 VanDerWaalsContact C-N 3.3Å; Q592-I594 PolarHBondContact O-N 2.89Å; I594-R597 PolarHBondContact O-N 3.09Å; I594-A598 VanDerWaalsContact O-CB 3.28Å; I594-A598 WeakPolarHBondContact O-CB 3.29Å; I594-A598 PolarHBondContact O-N 2.89Å
595	V	87	Confident	81.3	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-42.2	179.5	173.7	0	0	0	0	111.9	V585 D591 Q592 R597 A598 A599 Y642	V585-V595 HydrophobicContact CG2-CG2 3.81Å; D591-V595 WeakPolarHBondContact O-CG2 3.33Å; D591-V595 PolarHBondContact O-N 3.42Å; Q592-V595 PolarHBondContact O-N 3.28Å; V595-R597 PolarHBondContact O-N 3.31Å; V595-A598 PolarHBondContact O-N 3.35Å; V595-A599 WeakPolarHBondContact O-CB 3.39Å; V595-A599 PolarHBondContact O-N 3.13Å; V595-Y642 HydrophobicContact CG1-CE2 4.48Å; V595-Y642 WeakPolarHBondContact CG1-OH 3.31Å
596	E	85.6	Confident	80	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-43.9	175.7	-74.2	170.5	-176	0	0	112	Q592 A599 A600	Q592-E596 HydrophobicContact CG-CG 4.46Å; Q592-E596 WeakPolarHBondContact CG-OE1 3.4Å; Q592-E596 PolarHBondContact NE2-OE1 3.33Å; Q592-E596 WeakPolarHBondContact O-CG 3.19Å; Q592-E596 PolarHBondContact O-N 3.36Å; E596-A599 PolarHBondContact O-N 3.35Å; E596-A600 WeakPolarHBondContact O-CB 3.5Å; E596-A600 PolarHBondContact O-N 2.85Å
597	R	82.2	Confident	78.5	Confident	159 Å²	159	58.2 Å²	58.2	60%	0.6	29%	0.287	S	S	*	.	H	α-helix	trans	-66.4	-38.9	175.6	-76.2	179.6	172.7	-163.3	0	112.2	K593 I594 V595 A600 K601	K593-R597 WeakPolarHBondContact O-CB 3.33Å; K593-R597 WeakPolarHBondContact O-CG 3.47Å; K593-R597 PolarHBondContact O-N 2.8Å; K593-R597 VanDerWaalsContact O-N 3.08Å; I594-R597 PolarHBondContact O-N 3.09Å; V595-R597 PolarHBondContact O-N 3.31Å; R597-A600 PolarHBondContact O-N 2.76Å; R597-K601 WeakPolarHBondContact O-CG 3.14Å; R597-K601 PolarHBondContact O-N 2.88Å
598	A	81.4	Confident	77.1	Confident	11 Å²	11	58.3 Å²	58.3	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.2	0	0	0	0	0	110.8	P560 I594 V595 A600 K601 R602	P560-A598 HydrophobicContact CG-CB 3.89Å; P560-A598 WeakPolarHBondContact CG-O 3.16Å; I594-A598 VanDerWaalsContact O-CB 3.28Å; I594-A598 WeakPolarHBondContact O-CB 3.29Å; I594-A598 PolarHBondContact O-N 2.89Å; V595-A598 PolarHBondContact O-N 3.35Å; A598-A600 PolarHBondContact O-N 3.43Å; A598-K601 PolarHBondContact O-N 3.23Å; A598-R602 PolarHBondContact O-N 3.45Å
599	A	80.1	Confident	75.8	Confident	17 Å²	17	53.3 Å²	53.3	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-41.9	175	0	0	0	0	0	112	V595 E596 K601 R602 K603	V595-A599 WeakPolarHBondContact O-CB 3.39Å; V595-A599 PolarHBondContact O-N 3.13Å; E596-A599 PolarHBondContact O-N 3.35Å; A599-K601 PolarHBondContact O-N 3.25Å; A599-R602 PolarHBondContact O-N 3.14Å; A599-K603 WeakPolarHBondContact O-CG 3.43Å; A599-K603 PolarHBondContact O-N 2.89Å
600	A	75.3	Confident	74	Confident	51 Å²	51	55.9 Å²	55.9	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-43.8	175.1	0	0	0	0	0	112.3	E596 R597 A598 R602 K603 L604	E596-A600 WeakPolarHBondContact O-CB 3.5Å; E596-A600 PolarHBondContact O-N 2.85Å; R597-A600 PolarHBondContact O-N 2.76Å; A598-A600 PolarHBondContact O-N 3.43Å; A600-R602 VanDerWaalsContact C-N 3.35Å; A600-R602 PolarHBondContact O-N 3.47Å; A600-K603 PolarHBondContact O-N 3.02Å; A600-L604 WeakPolarHBondContact O-CG 3.14Å; A600-L604 PolarHBondContact O-N 3.48Å; A600-L604 VanDerWaalsContact O-N 3.12Å
601	K	75.8	Confident	72	Confident	105 Å²	105	60.1 Å²	60.1	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-41.3	174.2	-71.5	177	-177.8	179.7	0	112	W558 P560 R597 A598 A599 L604 E605	W558-K601 PolarHBondContact O-NZ 3.38Å; P560-K601 HydrophobicContact CG-CB 4.14Å; R597-K601 WeakPolarHBondContact O-CG 3.14Å; R597-K601 PolarHBondContact O-N 2.88Å; A598-K601 PolarHBondContact O-N 3.23Å; A599-K601 PolarHBondContact O-N 3.25Å; K601-L604 PolarHBondContact O-N 3.28Å; K601-E605 PolarHBondContact O-N 3.05Å
602	R	71.5	Confident	69.9	Low	38 Å²	38	62.7 Å²	62.7	14%	0.143	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-40.2	177.1	-172.8	179.2	-177.1	176.1	-4.2	112	E327 A598 A599 A600 L604 E605 K606	E327-R602 IonicContact OE2-CZ 3.46Å; E327-R602 IonicContact OE2-NH1 2.83Å; E327-R602 PolarHBondContact OE2-NH1 2.78Å; A598-R602 PolarHBondContact O-N 3.45Å; A599-R602 PolarHBondContact O-N 3.14Å; A600-R602 VanDerWaalsContact C-N 3.35Å; A600-R602 PolarHBondContact O-N 3.47Å; R602-L604 VanDerWaalsContact C-N 3.34Å; R602-L604 PolarHBondContact O-N 3.42Å; R602-E605 WeakPolarHBondContact O-CB 3.49Å; R602-E605 PolarHBondContact O-N 3.08Å; R602-K606 PolarHBondContact O-N 3.5Å
603	K	66.8	Low	67.6	Low	69 Å²	69	65.2 Å²	65.2	30%	0.3	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-43.8	174.7	-74.6	-174.5	179	-160.4	0	111.6	A599 A600 K606 L607 L637	A599-K603 WeakPolarHBondContact O-CG 3.43Å; A599-K603 PolarHBondContact O-N 2.89Å; A600-K603 PolarHBondContact O-N 3.02Å; K603-K606 PolarHBondContact O-N 2.81Å; K603-L607 WeakPolarHBondContact O-CB 3.15Å; K603-L607 WeakPolarHBondContact O-CD1 3.39Å; K603-L607 WeakPolarHBondContact O-CG 3.17Å; K603-L607 PolarHBondContact O-N 3.38Å; K603-L637 PolarHBondContact NZ-O 2.8Å
604	L	63.9	Low	65.3	Low	108 Å²	108	66.2 Å²	66.2	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-60.1	-46.4	173.6	-69.1	171.5	0	0	0	111.1	A600 K601 R602 K606 L607 I608	A600-L604 WeakPolarHBondContact O-CG 3.14Å; A600-L604 PolarHBondContact O-N 3.48Å; A600-L604 VanDerWaalsContact O-N 3.12Å; K601-L604 PolarHBondContact O-N 3.28Å; R602-L604 VanDerWaalsContact C-N 3.34Å; R602-L604 PolarHBondContact O-N 3.42Å; L604-K606 PolarHBondContact O-N 2.85Å; L604-L607 WeakPolarHBondContact O-CB 3.39Å; L604-L607 PolarHBondContact O-N 3.1Å; L604-I608 WeakPolarHBondContact O-CD1 3.31Å; L604-I608 VanDerWaalsContact O-CG1 3.23Å; L604-I608 WeakPolarHBondContact O-CG1 3.07Å; L604-I608 PolarHBondContact O-N 3.14Å
605	E	62.8	Low	63	Low	45 Å²	45	74 Å²	74	21%	0.21	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-49	175.7	-168.8	-177.8	165.8	0	0	112.5	P247 K601 R602 L607 I608 I609	P247-E605 VanDerWaalsContact CD-OE1 3.28Å; P247-E605 WeakPolarHBondContact CD-OE1 3.29Å; P247-E605 HydrophobicContact CG-CG 3.79Å; P247-E605 WeakPolarHBondContact CG-OE1 3.36Å; K601-E605 PolarHBondContact O-N 3.05Å; R602-E605 WeakPolarHBondContact O-CB 3.49Å; R602-E605 PolarHBondContact O-N 3.08Å; E605-L607 VanDerWaalsContact C-N 3.34Å; E605-L607 PolarHBondContact O-N 3.32Å; E605-I608 WeakPolarHBondContact O-CB 3.34Å; E605-I608 PolarHBondContact O-N 3.12Å; E605-I609 HydrophobicContact CG-CD1 4.03Å; E605-I609 VanDerWaalsContact O-CG1 3.26Å; E605-I609 WeakPolarHBondContact O-CG1 3.43Å; E605-I609 PolarHBondContact O-N 3.36Å
606	K	63.1	Low	60.6	Low	78 Å²	78	76.2 Å²	76.2	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-40.5	176.1	-75.1	-175.9	175.3	-175.8	0	112.4	R602 K603 L604 I608 I609 H610 D641	R602-K606 PolarHBondContact O-N 3.5Å; K603-K606 PolarHBondContact O-N 2.81Å; L604-K606 PolarHBondContact O-N 2.85Å; K606-I608 VanDerWaalsContact C-N 3.32Å; K606-I608 PolarHBondContact O-N 3.33Å; K606-I609 PolarHBondContact O-N 2.8Å; K606-H610 WeakPolarHBondContact O-CB 3.43Å; K606-H610 PolarHBondContact O-N 2.75Å; K606-D641 IonicContact NZ-OD1 3.79Å; K606-D641 PolarHBondContact NZ-OD1 3.25Å
607	L	57.1	Low	58.1	Low	48 Å²	48	72 Å²	72	25%	0.251	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-40.5	176.2	-79.3	162.2	0	0	0	111.7	K603 L604 E605 H610 K611 L633	K603-L607 WeakPolarHBondContact O-CB 3.15Å; K603-L607 WeakPolarHBondContact O-CD1 3.39Å; K603-L607 WeakPolarHBondContact O-CG 3.17Å; K603-L607 PolarHBondContact O-N 3.38Å; L604-L607 WeakPolarHBondContact O-CB 3.39Å; L604-L607 PolarHBondContact O-N 3.1Å; E605-L607 VanDerWaalsContact C-N 3.34Å; E605-L607 PolarHBondContact O-N 3.32Å; L607-H610 PolarHBondContact O-N 3.25Å; L607-K611 WeakPolarHBondContact O-CB 3.37Å; L607-K611 WeakPolarHBondContact O-CG 3.5Å; L607-K611 PolarHBondContact O-N 3.11Å; L607-L633 HydrophobicContact CD2-CD1 4.39Å; L607-L633 HydrophobicContact CD2-CD2 4.32Å; L607-L633 HydrophobicContact CD2-CG 4.24Å
608	I	54.7	Low	55.9	Low	36 Å²	36	70.4 Å²	70.4	19%	0.185	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-46	175.1	-62.1	148.5	0	0	0	109.7	N250 L604 E605 K606 H610 K611 N612	N250-I608 HydrophobicContact CB-CD1 4.26Å; N250-I608 WeakPolarHBondContact ND2-CD1 3.41Å; N250-I608 WeakPolarHBondContact ND2-CG1 3.42Å; N250-I608 VanDerWaalsContact OD1-CD1 3.27Å; N250-I608 WeakPolarHBondContact OD1-CD1 3.32Å; L604-I608 WeakPolarHBondContact O-CD1 3.31Å; L604-I608 VanDerWaalsContact O-CG1 3.23Å; L604-I608 WeakPolarHBondContact O-CG1 3.07Å; L604-I608 PolarHBondContact O-N 3.14Å; E605-I608 WeakPolarHBondContact O-CB 3.34Å; E605-I608 PolarHBondContact O-N 3.12Å; K606-I608 VanDerWaalsContact C-N 3.32Å; K606-I608 PolarHBondContact O-N 3.33Å; I608-H610 VanDerWaalsContact C-N 3.33Å; I608-H610 PolarHBondContact O-N 2.95Å; I608-K611 PolarHBondContact O-N 3.45Å; I608-N612 WeakPolarHBondContact O-CB 3.4Å; I608-N612 PolarHBondContact O-N 3.48Å; I608-N612 PolarHBondContact O-ND2 3.05Å; I608-N612 VanDerWaalsContact O-ND2 3.12Å; I608-N612 PolarHBondContact O-OD1 3.39Å
609	I	56.1	Low	53.4	Low	35 Å²	35	74.4 Å²	74.4	18%	0.179	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-40.9	178	-64.7	162.6	0	0	0	111.4	P247 E605 K606 N612 H613	P247-I609 HydrophobicContact CG-CD1 4.28Å; E605-I609 HydrophobicContact CG-CD1 4.03Å; E605-I609 VanDerWaalsContact O-CG1 3.26Å; E605-I609 WeakPolarHBondContact O-CG1 3.43Å; E605-I609 PolarHBondContact O-N 3.36Å; K606-I609 PolarHBondContact O-N 2.8Å; I609-N612 CarbonylContact O-C 3.58Å; I609-N612 VanDerWaalsContact O-CA 3.23Å; I609-N612 WeakPolarHBondContact O-CA 3.33Å; I609-N612 VanDerWaalsContact O-CB 3.29Å; I609-N612 WeakPolarHBondContact O-CB 3.44Å; I609-N612 PolarHBondContact O-N 3.48Å; I609-H613 PolarHBondContact O-N 2.79Å
610	H	50.9	Low	51.2	Low	58 Å²	58	76.7 Å²	76.7	27%	0.269	41%	0.408	S	S	.	.	H	α-helix	trans	-73.2	-37.8	-179.1	-163.5	-84	0	0	0	112.8	K606 L607 I608 N612 H613	K606-H610 WeakPolarHBondContact O-CB 3.43Å; K606-H610 PolarHBondContact O-N 2.75Å; L607-H610 PolarHBondContact O-N 3.25Å; I608-H610 VanDerWaalsContact C-N 3.33Å; I608-H610 PolarHBondContact O-N 2.95Å; H610-N612 PolarHBondContact O-N 3.22Å; H610-H613 PolarHBondContact O-N 3.48Å; H610-H613 VanDerWaalsContact O-N 3.13Å
611	K	46.8	Very low	49.3	Very low	112 Å²	112	80.2 Å²	80.2	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-57.1	-28.4	164.7	-76.2	-176.7	174.3	-171.2	0	111.7	L607 I608	L607-K611 WeakPolarHBondContact O-CB 3.37Å; L607-K611 WeakPolarHBondContact O-CG 3.5Å; L607-K611 PolarHBondContact O-N 3.11Å; I608-K611 PolarHBondContact O-N 3.45Å
612	N	42.8	Very low	47.2	Very low	64 Å²	64	82.6 Å²	82.6	34%	0.342	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.8	178.3	-62.1	-14.9	0	0	0	114.8	H303 I608 I609 H610 F614	H303-N612 PolarHBondContact NE2-OD1 3.13Å; I608-N612 WeakPolarHBondContact O-CB 3.4Å; I608-N612 PolarHBondContact O-N 3.48Å; I608-N612 PolarHBondContact O-ND2 3.05Å; I608-N612 VanDerWaalsContact O-ND2 3.12Å; I608-N612 PolarHBondContact O-OD1 3.39Å; I609-N612 CarbonylContact O-C 3.58Å; I609-N612 VanDerWaalsContact O-CA 3.23Å; I609-N612 WeakPolarHBondContact O-CA 3.33Å; I609-N612 VanDerWaalsContact O-CB 3.29Å; I609-N612 WeakPolarHBondContact O-CB 3.44Å; I609-N612 PolarHBondContact O-N 3.48Å; H610-N612 PolarHBondContact O-N 3.22Å; N612-F614 PolarHBondContact O-N 2.91Å
613	H	39.6	Very low	45.3	Very low	98 Å²	98	88.7 Å²	88.7	45%	0.454	47%	0.471	S	S	.	.			trans	-74.4	55.6	168.1	-89.7	-65.7	0	0	0	110.4	I609 H610	I609-H613 PolarHBondContact O-N 2.79Å; H610-H613 PolarHBondContact O-N 3.48Å; H610-H613 VanDerWaalsContact O-N 3.13Å
614	F	40.6	Very low	43.6	Very low	149 Å²	149	90.3 Å²	90.3	65%	0.654	49%	0.491	S	S	*	.			trans	-101.9	114.4	168.5	-111.7	-91.9	0	0	0	110	N612 G616 F627	N612-F614 PolarHBondContact O-N 2.91Å; F614-G616 PolarHBondContact O-N 2.62Å; F614-F627 HydrophobicContact CD2-CZ 4.3Å; F614-F627 HydrophobicContact CE1-CZ 4.49Å; F614-F627 AromaticContact CE2-CE1 3.88Å; F614-F627 HydrophobicContact CE2-CE1 3.88Å; F614-F627 AromaticContact CE2-CE2 3.77Å; F614-F627 HydrophobicContact CE2-CE2 3.77Å; F614-F627 AromaticContact CE2-CZ 3.21Å; F614-F627 HydrophobicContact CE2-CZ 3.21Å; F614-F627 HydrophobicContact CZ-CE1 4.4Å; F614-F627 AromaticContact CZ-CE2 3.45Å; F614-F627 HydrophobicContact CZ-CE2 3.45Å; F614-F627 VanDerWaalsContact CZ-CE2 3.45Å; F614-F627 AromaticContact CZ-CZ 3.34Å; F614-F627 HydrophobicContact CZ-CZ 3.34Å
615	K	39.3	Very low	42.5	Very low	165 Å²	165	94.3 Å²	94.3	72%	0.717	50%	0.504	S	S	*	.			trans	-52	120.2	-179.3	-67.4	170.6	173	176.2	0	111.3	G617	K615-G617 PolarHBondContact O-N 2.88Å
616	G	35.3	Very low	40.9	Very low	53 Å²	53	99.9 Å²	99.9	55%	0.546	54%	0.535	S	S	.	.	S	Bend	trans	-65	114.3	145.8	0	0	0	0	0	108.3	R54 F614	R54-G616 VanDerWaalsContact CZ-O 3.28Å; R54-G616 PolarHBondContact NH1-O 3.21Å; R54-G616 PolarHBondContact NH2-O 3.2Å; F614-G616 PolarHBondContact O-N 2.62Å
617	G	33.4	Very low	39.9	Very low	12 Å²	12	103.9 Å²	103.9	12%	0.124	55%	0.553	C	S	.	*	S	Bend	trans	113.8	108.6	-178.7	0	0	0	0	0	112.3	K615 S619	K615-G617 PolarHBondContact O-N 2.88Å; G617-S619 PolarHBondContact O-N 3.16Å
618	Q	37.4	Very low	39.2	Very low	127 Å²	127	105.9 Å²	105.9	59%	0.593	56%	0.563	S	S	*	*			trans	-71.8	48.5	179.8	-68	-171.1	0.1	0	0	114	G620 L621	Q618-G620 VanDerWaalsContact C-N 3.27Å; Q618-G620 PolarHBondContact O-N 3.13Å; Q618-G620 VanDerWaalsContact O-N 3.15Å; Q618-L621 HydrophobicContact CB-CD1 4.33Å; Q618-L621 VanDerWaalsContact CD-CD1 3.49Å; Q618-L621 HydrophobicContact CG-CD1 4.01Å
619	S	28.8	Very low	38.7	Very low	95 Å²	95	108.8 Å²	108.8	66%	0.664	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	71.7	165.7	-48.9	0	0	0	0	109.3	G617	G617-S619 PolarHBondContact O-N 3.16Å
620	G	33.1	Very low	38.5	Very low	64 Å²	64	111.5 Å²	111.5	66%	0.66	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.2	6.2	178.5	0	0	0	0	0	117	Q618 N622	Q618-G620 VanDerWaalsContact C-N 3.27Å; Q618-G620 PolarHBondContact O-N 3.13Å; Q618-G620 VanDerWaalsContact O-N 3.15Å; G620-N622 PolarHBondContact O-N 3.36Å
621	L	35	Very low	38.6	Very low	126 Å²	126	116.5 Å²	116.5	66%	0.66	62%	0.62	S	S	*	*			trans	-82.8	72.2	172.1	-84	162.9	0	0	0	110.2	Q618	Q618-L621 HydrophobicContact CB-CD1 4.33Å; Q618-L621 VanDerWaalsContact CD-CD1 3.49Å; Q618-L621 HydrophobicContact CG-CD1 4.01Å
622	N	31.4	Very low	39	Very low	155 Å²	155	116 Å²	116	83%	0.829	62%	0.62	S	S	*	*	S	Bend	trans	-169.3	79.9	147.2	-91.7	-21.3	0	0	0	106.5	G620	G620-N622 PolarHBondContact O-N 3.36Å
623	L	32.2	Very low	39.5	Very low	166 Å²	166	115.2 Å²	115.2	87%	0.869	62%	0.615	S	S	*	*			trans	-168.9	112	144.5	-97.3	155.9	0	0	0	107.3
624	S	31.8	Very low	40	Very low	102 Å²	102	115.1 Å²	115.1	71%	0.713	62%	0.616	S	S	*	*			trans	-59	146.5	170	46.1	0	0	0	0	111.1
625	K	39.5	Very low	40.9	Very low	192 Å²	192	114.7 Å²	114.7	84%	0.835	62%	0.616	S	S	*	*			trans	56.2	87.2	159	-66	178.2	175.7	178.3	0	116.6
626	N	30.8	Very low	41.6	Very low	162 Å²	162	110.1 Å²	110.1	87%	0.866	60%	0.599	S	S	*	*			trans	-171.1	81.5	132.8	-90.8	-14.5	0	0	0	108.3
627	F	40.3	Very low	42.3	Very low	162 Å²	162	111.2 Å²	111.2	71%	0.711	59%	0.592	S	S	*	*			trans	-79.2	118.1	167.9	-126.9	-98.9	0	0	0	106.8	F614	F614-F627 HydrophobicContact CD2-CZ 4.3Å; F614-F627 HydrophobicContact CE1-CZ 4.49Å; F614-F627 AromaticContact CE2-CE1 3.88Å; F614-F627 HydrophobicContact CE2-CE1 3.88Å; F614-F627 AromaticContact CE2-CE2 3.77Å; F614-F627 HydrophobicContact CE2-CE2 3.77Å; F614-F627 AromaticContact CE2-CZ 3.21Å; F614-F627 HydrophobicContact CE2-CZ 3.21Å; F614-F627 HydrophobicContact CZ-CE1 4.4Å; F614-F627 AromaticContact CZ-CE2 3.45Å; F614-F627 HydrophobicContact CZ-CE2 3.45Å; F614-F627 VanDerWaalsContact CZ-CE2 3.45Å; F614-F627 AromaticContact CZ-CZ 3.34Å; F614-F627 HydrophobicContact CZ-CZ 3.34Å
628	L	43.5	Very low	43	Very low	90 Å²	90	117.9 Å²	117.9	47%	0.471	62%	0.618	S	S	.	*			trans	73.5	109.7	-178.2	-53.7	156.7	0	0	0	114.2	P630 L633	L628-P630 WeakPolarHBondContact O-CD 3.34Å; L628-L633 HydrophobicContact CD2-CD1 3.86Å
629	D	43.7	Very low	43.8	Very low	98 Å²	98	114.1 Å²	114.1	52%	0.524	61%	0.606	S	S	.	*			trans	-78.1	110	162	-140.8	-18.4	0	0	0	107.3	K631 E632 L633	D629-K631 PolarHBondContact O-N 3.05Å; D629-E632 HydrophobicContact CB-CB 4.29Å; D629-E632 PolarHBondContact O-N 3.18Å; D629-L633 PolarHBondContact O-N 3.24Å
630	P	52.2	Low	44.9	Very low	92 Å²	92	117.9 Å²	117.9	60%	0.597	61%	0.605	S	S	*	*	H	α-helix	trans	-60.3	-21.3	-175.6	-21.3	33.7	0	0	0	112.1	L628 M634	L628-P630 WeakPolarHBondContact O-CD 3.34Å; P630-M634 WeakPolarHBondContact O-CB 3.45Å; P630-M634 WeakPolarHBondContact O-CG 3.39Å; P630-M634 PolarHBondContact O-N 3.42Å
631	K	53.3	Low	45.8	Very low	163 Å²	163	116.1 Å²	116.1	71%	0.709	58%	0.58	S	S	*	*	H	α-helix	trans	-68.7	-45.8	175.6	-68.2	179.3	-179.7	174.8	0	112.1	D629 M634 E635	D629-K631 PolarHBondContact O-N 3.05Å; K631-M634 CarbonylContact O-C 3.57Å; K631-M634 PolarHBondContact O-N 3.19Å; K631-E635 VanDerWaalsContact O-CB 3.26Å; K631-E635 WeakPolarHBondContact O-CB 3.5Å; K631-E635 PolarHBondContact O-N 3.49Å
632	E	55.3	Low	46.7	Very low	101 Å²	101	111.8 Å²	111.8	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-68.3	-38.5	178.9	-169.5	176.9	-155.1	0	0	111	D629 E635 L636	D629-E632 HydrophobicContact CB-CB 4.29Å; D629-E632 PolarHBondContact O-N 3.18Å; E632-E635 PolarHBondContact O-N 2.84Å; E632-L636 WeakPolarHBondContact O-CB 3.36Å; E632-L636 WeakPolarHBondContact O-CG 3.26Å; E632-L636 PolarHBondContact O-N 2.66Å
633	L	52.8	Low	47.5	Very low	47 Å²	47	110.1 Å²	110.1	25%	0.246	54%	0.543	C	S	.	.	H	α-helix	trans	-70.1	-36.2	175.5	-156.8	134.7	0	0	0	112.1	L607 L628 D629 L637	L607-L633 HydrophobicContact CD2-CD1 4.39Å; L607-L633 HydrophobicContact CD2-CD2 4.32Å; L607-L633 HydrophobicContact CD2-CG 4.24Å; L628-L633 HydrophobicContact CD2-CD1 3.86Å; D629-L633 PolarHBondContact O-N 3.24Å; L633-L637 HydrophobicContact CD2-CD1 3.81Å; L633-L637 WeakPolarHBondContact O-CB 3.29Å; L633-L637 PolarHBondContact O-N 3.24Å
634	M	50.9	Low	48.5	Very low	97 Å²	97	105.8 Å²	105.8	48%	0.478	52%	0.515	S	S	.	.	H	α-helix	trans	-68.1	-36.3	170.2	-82.5	-75.1	-91.5	0	0	112.3	P630 K631 L637 K638	P630-M634 WeakPolarHBondContact O-CB 3.45Å; P630-M634 WeakPolarHBondContact O-CG 3.39Å; P630-M634 PolarHBondContact O-N 3.42Å; K631-M634 CarbonylContact O-C 3.57Å; K631-M634 PolarHBondContact O-N 3.19Å; M634-L637 PolarHBondContact O-N 3.2Å; M634-K638 WeakPolarHBondContact O-CB 3.33Å; M634-K638 WeakPolarHBondContact O-CG 3.11Å; M634-K638 PolarHBondContact O-N 2.72Å
635	E	59	Low	49.5	Very low	139 Å²	139	104.6 Å²	104.6	65%	0.65	50%	0.498	S	S	*	.	H	α-helix	trans	-67.7	-41.7	176	-169.6	168.1	-168.3	0	0	110.9	K631 E632 K638 S639	K631-E635 VanDerWaalsContact O-CB 3.26Å; K631-E635 WeakPolarHBondContact O-CB 3.5Å; K631-E635 PolarHBondContact O-N 3.49Å; E632-E635 PolarHBondContact O-N 2.84Å; E635-K638 CarbonylContact O-C 3.58Å; E635-K638 PolarHBondContact O-N 2.84Å; E635-S639 WeakPolarHBondContact O-CA 3.22Å; E635-S639 VanDerWaalsContact O-CB 3.25Å; E635-S639 WeakPolarHBondContact O-CB 3.27Å; E635-S639 PolarHBondContact O-N 3.26Å
636	L	54.3	Low	50.2	Low	69 Å²	69	97.1 Å²	97.1	36%	0.361	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-40.9	171.2	-75.1	170.4	0	0	0	112.7	E632 S639	E632-L636 WeakPolarHBondContact O-CB 3.36Å; E632-L636 WeakPolarHBondContact O-CG 3.26Å; E632-L636 PolarHBondContact O-N 2.66Å; L636-S639 PolarHBondContact O-OG 3.29Å
637	L	49.8	Very low	51.2	Low	77 Å²	77	97 Å²	97	40%	0.403	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-38.3	175.9	-90.1	162.2	0	0	0	112.7	K603 L633 M634	K603-L637 PolarHBondContact NZ-O 2.8Å; L633-L637 HydrophobicContact CD2-CD1 3.81Å; L633-L637 WeakPolarHBondContact O-CB 3.29Å; L633-L637 PolarHBondContact O-N 3.24Å; M634-L637 PolarHBondContact O-N 3.2Å
638	K	48.6	Very low	51.5	Low	151 Å²	151	90.4 Å²	90.4	66%	0.657	44%	0.436	S	S	*	.	H	α-helix	trans	-79.5	-27.4	178.4	-74.6	176.8	179.9	-177.6	0	112.9	M634 E635 R640	M634-K638 WeakPolarHBondContact O-CB 3.33Å; M634-K638 WeakPolarHBondContact O-CG 3.11Å; M634-K638 PolarHBondContact O-N 2.72Å; E635-K638 CarbonylContact O-C 3.58Å; E635-K638 PolarHBondContact O-N 2.84Å; K638-R640 PolarHBondContact O-N 3.48Å
639	S	53.3	Low	51.4	Low	49 Å²	49	89.5 Å²	89.5	34%	0.343	44%	0.437	S	S	.	.			trans	-58.9	113	172.7	74.2	0	0	0	0	107.6	E635 L636	E635-S639 WeakPolarHBondContact O-CA 3.22Å; E635-S639 VanDerWaalsContact O-CB 3.25Å; E635-S639 WeakPolarHBondContact O-CB 3.27Å; E635-S639 PolarHBondContact O-N 3.26Å; L636-S639 PolarHBondContact O-OG 3.29Å
640	R	52.4	Low	51.4	Low	173 Å²	173	96.4 Å²	96.4	65%	0.653	46%	0.456	S	S	*	.			trans	-79.6	133.4	168.5	-65.3	-173.3	-179.4	-171.6	3.8	105.4	K638 Y642 E645	K638-R640 PolarHBondContact O-N 3.48Å; R640-Y642 PolarHBondContact O-N 2.98Å; R640-E645 IonicContact NH1-OE1 3.46Å; R640-E645 IonicContact NH1-OE2 2.82Å
641	D	51	Low	50.9	Low	27 Å²	27	101 Å²	101	14%	0.144	47%	0.47	C	S	.	.	S	Bend	trans	-63.6	-4.6	-179.2	-74.1	-38.1	0	0	0	113.3	K606	K606-D641 IonicContact NZ-OD1 3.79Å; K606-D641 PolarHBondContact NZ-OD1 3.25Å
642	Y	54.1	Low	50.8	Low	35 Å²	35	100.4 Å²	100.4	14%	0.137	47%	0.467	C	S	.	.			trans	-110.6	119.6	177.7	-46.5	-54.3	0	0	0	109.1	E327 V329 V595 R640 R644	E327-Y642 HydrophobicContact CG-CD1 4.34Å; E327-Y642 HydrophobicContact CG-CE1 4.46Å; V329-Y642 HydrophobicContact CB-CD1 4.33Å; V329-Y642 HydrophobicContact CB-CG 4.28Å; V329-Y642 HydrophobicContact CG2-CD1 3.19Å; V329-Y642 HydrophobicContact CG2-CD2 3.83Å; V329-Y642 HydrophobicContact CG2-CE1 3.19Å; V329-Y642 HydrophobicContact CG2-CE2 3.84Å; V329-Y642 HydrophobicContact CG2-CG 3.5Å; V595-Y642 HydrophobicContact CG1-CE2 4.48Å; V595-Y642 WeakPolarHBondContact CG1-OH 3.31Å; R640-Y642 PolarHBondContact O-N 2.98Å; Y642-R644 VanDerWaalsContact C-N 3.25Å; Y642-R644 PolarHBondContact O-N 3.35Å
643	E	48.6	Very low	50.8	Low	121 Å²	121	96.8 Å²	96.8	57%	0.565	45%	0.452	S	S	*	.	S	Bend	trans	-70.4	-26.2	177.7	-70.5	-178.8	178.3	0	0	111.7	R326	R326-E643 VanDerWaalsContact CD-OE2 3.25Å; R326-E643 WeakPolarHBondContact CD-OE2 3.37Å; R326-E643 WeakPolarHBondContact CG-OE2 3.49Å
644	R	53.2	Low	51.3	Low	75 Å²	75	95 Å²	95	28%	0.283	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.1	178	-61	-175.6	-173.3	154.9	11.2	110.7	Y642 L661 D667	Y642-R644 VanDerWaalsContact C-N 3.25Å; Y642-R644 PolarHBondContact O-N 3.35Å; R644-L661 PolarHBondContact NH1-O 3.38Å; R644-L661 VanDerWaalsContact NH1-O 3.15Å; R644-D667 IonicContact CZ-OD2 2.78Å; R644-D667 IonicContact NH2-OD2 3.48Å; R644-D667 PolarHBondContact NH2-OD2 3.31Å
645	E	52.8	Low	52.1	Low	76 Å²	76	92.4 Å²	92.4	36%	0.355	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.8	167.6	-75.2	177	-158.9	0	0	108.1	Y331 R640	Y331-E645 HydrophobicContact CE2-CB 4.33Å; Y331-E645 HydrophobicContact CE2-CG 4.24Å; R640-E645 IonicContact NH1-OE1 3.46Å; R640-E645 IonicContact NH1-OE2 2.82Å
646	I	54.6	Low	52.8	Low	36 Å²	36	91.3 Å²	91.3	19%	0.185	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.4	174.4	-61.7	169.6	0	0	0	108.1	Y331 L662	Y331-I646 WeakPolarHBondContact CB-O 3.44Å; Y331-I646 PolarHBondContact N-O 2.86Å; I646-L662 HydrophobicContact CD1-CB 4.07Å; I646-L662 HydrophobicContact CD1-CD1 3.88Å; I646-L662 HydrophobicContact CD1-CG 4.42Å
647	K	52.6	Low	53.6	Low	160 Å²	160	96.1 Å²	96.1	70%	0.696	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.6	174.1	-68.2	-178.9	-179.1	177.4	0	108.8	Y331 S649	Y331-K647 HydrophobicContact CD2-CG 4.27Å; K647-S649 PolarHBondContact O-N 3.43Å
648	G	46.8	Very low	54.6	Low	22 Å²	22	95.8 Å²	95.8	23%	0.227	45%	0.449	C	S	.	.			trans	-58.2	123.8	164.6	0	0	0	0	0	109.7	Y331	Y331-G648 PolarHBondContact O-N 3.01Å
649	S	41.1	Very low	55.9	Low	71 Å²	71	88.7 Å²	88.7	50%	0.497	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-74.4	150.8	172.8	67.4	0	0	0	0	110.1	K647 E651 K652	K647-S649 PolarHBondContact O-N 3.43Å; S649-E651 PolarHBondContact O-N 2.9Å; S649-K652 PolarHBondContact N-O 3.27Å; S649-K652 CarbonylContact O-C 3.54Å; S649-K652 PolarHBondContact O-N 3.36Å; S649-K652 VanDerWaalsContact O-O 3.09Å; S649-K652 PolarHBondContact OG-N 3.36Å; S649-K652 PolarHBondContact OG-O 3.45Å
650	R	43.4	Very low	56.9	Low	243 Å²	243	92.1 Å²	92.1	92%	0.917	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.1	-175	-77.2	-179.6	172.4	166.7	-3.1	114.9
651	E	41.8	Very low	58	Low	190 Å²	190	88.5 Å²	88.5	89%	0.888	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-17.1	-174.2	-69	176.3	173.4	0	0	114.1	S649	S649-E651 PolarHBondContact O-N 2.9Å
652	K	50.2	Low	59.1	Low	149 Å²	149	87.3 Å²	87.3	65%	0.648	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-136.7	116.5	172.2	-75.8	-174.9	-180	179.4	0	110.2	S649 I654	S649-K652 PolarHBondContact N-O 3.27Å; S649-K652 CarbonylContact O-C 3.54Å; S649-K652 PolarHBondContact O-N 3.36Å; S649-K652 VanDerWaalsContact O-O 3.09Å; S649-K652 PolarHBondContact OG-N 3.36Å; S649-K652 PolarHBondContact OG-O 3.45Å; K652-I654 PolarHBondContact O-N 2.67Å
653	V	55.7	Low	60.2	Low	26 Å²	26	85.7 Å²	85.7	16%	0.158	41%	0.409	C	S	.	.	S	Bend	trans	-59.2	-30.7	-173.2	177.5	0	0	0	0	112.5	L464 I465	L464-V653 HydrophobicContact CB-CG1 4.06Å; L464-V653 HydrophobicContact CB-CG2 4.48Å; L464-V653 HydrophobicContact CD1-CG2 4.25Å; I465-V653 HydrophobicContact CD1-CG1 4.33Å; I465-V653 HydrophobicContact CG1-CG1 3.49Å; I465-V653 VanDerWaalsContact CG1-CG1 3.49Å
654	I	63.2	Low	61.6	Low	10 Å²	10	83 Å²	83	5%	0.051	40%	0.399	C	S	.	.			trans	-172.5	145.2	165.9	-91.4	140.1	0	0	0	105.6	V330 I465 R468 K652 D658 L659	V330-I654 HydrophobicContact CG1-CD1 4.1Å; I465-I654 HydrophobicContact CD1-CD1 4.26Å; I465-I654 HydrophobicContact CG1-CD1 4.1Å; I465-I654 HydrophobicContact CG2-CD1 4.16Å; R468-I654 PolarHBondContact NH1-O 2.79Å; K652-I654 PolarHBondContact O-N 2.67Å; I654-D658 HydrophobicContact CG2-CB 4.14Å; I654-L659 HydrophobicContact CG2-CB 3.66Å; I654-L659 HydrophobicContact CG2-CD1 4.38Å
655	S	68.5	Low	62.6	Low	42 Å²	42	80 Å²	80	29%	0.294	39%	0.388	S	S	.	.			trans	-80.1	148.8	170.6	79.2	0	0	0	0	110.5	K657 D658 L659	S655-K657 PolarHBondContact O-N 2.8Å; S655-K657 VanDerWaalsContact O-N 3.12Å; S655-D658 WeakPolarHBondContact CB-OD2 3.25Å; S655-D658 WeakPolarHBondContact O-CA 3.44Å; S655-D658 PolarHBondContact O-N 2.95Å; S655-D658 PolarHBondContact OG-N 3.48Å; S655-D658 PolarHBondContact OG-OD2 2.78Å; S655-L659 PolarHBondContact O-N 2.95Å
656	D	72.9	Confident	63.6	Low	115 Å²	115	79 Å²	79	62%	0.615	39%	0.388	S	S	*	.	H	α-helix	trans	-58.4	-30.5	-178	-56.8	-21	0	0	0	112	L659 E660	D656-L659 PolarHBondContact O-N 3.46Å; D656-E660 WeakPolarHBondContact O-CB 3.27Å; D656-E660 PolarHBondContact O-N 3.28Å
657	K	70.8	Confident	64.6	Low	170 Å²	170	79 Å²	79	74%	0.739	39%	0.389	S	S	*	.	H	α-helix	trans	-66.5	-43.5	172.4	-65.4	-176.8	179.2	-178.3	0	112.4	S655 L659 E660 L661	S655-K657 PolarHBondContact O-N 2.8Å; S655-K657 VanDerWaalsContact O-N 3.12Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-E660 PolarHBondContact O-N 3.31Å; K657-L661 WeakPolarHBondContact O-CB 3.23Å; K657-L661 PolarHBondContact O-N 2.7Å
658	D	71.5	Confident	65.6	Low	70 Å²	70	71.5 Å²	71.5	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-69	-32	177	-60.4	-38.8	0	0	0	111.5	I654 S655 L662	I654-D658 HydrophobicContact CG2-CB 4.14Å; S655-D658 WeakPolarHBondContact CB-OD2 3.25Å; S655-D658 WeakPolarHBondContact O-CA 3.44Å; S655-D658 PolarHBondContact O-N 2.95Å; S655-D658 PolarHBondContact OG-N 3.48Å; S655-D658 PolarHBondContact OG-OD2 2.78Å; D658-L662 WeakPolarHBondContact O-CB 3.2Å; D658-L662 PolarHBondContact O-N 3.3Å
659	L	74.8	Confident	66.9	Low	2 Å²	2	73.9 Å²	73.9	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-67.2	-46.3	174.6	-172.7	59.8	0	0	0	111.1	R468 M469 E472 I654 S655 D656 K657 L661 L662 L663	R468-L659 HydrophobicContact CB-CD2 4.06Å; M469-L659 HydrophobicContact CG-CD1 3.77Å; E472-L659 HydrophobicContact CG-CD2 4.48Å; E472-L659 WeakPolarHBondContact OE1-CD2 3.17Å; E472-L659 VanDerWaalsContact OE2-CD2 3.24Å; E472-L659 WeakPolarHBondContact OE2-CD2 3.3Å; E472-L659 VanDerWaalsContact OE2-CG 3.29Å; E472-L659 WeakPolarHBondContact OE2-CG 3.38Å; I654-L659 HydrophobicContact CG2-CB 3.66Å; I654-L659 HydrophobicContact CG2-CD1 4.38Å; S655-L659 PolarHBondContact O-N 2.95Å; D656-L659 PolarHBondContact O-N 3.46Å; K657-L659 VanDerWaalsContact C-N 3.3Å; L659-L661 VanDerWaalsContact C-N 3.32Å; L659-L661 PolarHBondContact O-N 2.93Å; L659-L662 WeakPolarHBondContact O-CB 3.21Å; L659-L662 PolarHBondContact O-N 2.98Å; L659-L663 HydrophobicContact CD1-CD1 4.18Å; L659-L663 HydrophobicContact CD1-CG 4.33Å; L659-L663 HydrophobicContact CG-CD1 4.13Å; L659-L663 WeakPolarHBondContact O-CB 3.23Å; L659-L663 WeakPolarHBondContact O-CG 3.29Å; L659-L663 PolarHBondContact O-N 2.85Å
660	E	76.1	Confident	68.3	Low	121 Å²	121	75.3 Å²	75.3	57%	0.565	37%	0.365	S	S	*	.	H	α-helix	trans	-61.2	-42.8	177.6	-171.6	167.3	-151.7	0	0	111.3	D656 K657 L662 L663 D664	D656-E660 WeakPolarHBondContact O-CB 3.27Å; D656-E660 PolarHBondContact O-N 3.28Å; K657-E660 PolarHBondContact O-N 3.31Å; E660-L662 VanDerWaalsContact C-N 3.34Å; E660-L662 PolarHBondContact O-N 3.44Å; E660-L663 PolarHBondContact O-N 3.48Å; E660-D664 WeakPolarHBondContact O-CB 3.3Å; E660-D664 PolarHBondContact O-N 3.41Å
661	L	74.6	Confident	69.5	Low	97 Å²	97	68.4 Å²	68.4	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-31.8	176.3	-142.3	166	0	0	0	112.5	R644 K657 L659	R644-L661 PolarHBondContact NH1-O 3.38Å; R644-L661 VanDerWaalsContact NH1-O 3.15Å; K657-L661 WeakPolarHBondContact O-CB 3.23Å; K657-L661 PolarHBondContact O-N 2.7Å; L659-L661 VanDerWaalsContact C-N 3.32Å; L659-L661 PolarHBondContact O-N 2.93Å
662	L	74	Confident	70.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-40.2	175.1	175.9	152.2	0	0	0	111.4	V330 M469 Y582 I646 D658 L659 E660	V330-L662 HydrophobicContact CG1-CD1 4.37Å; V330-L662 HydrophobicContact CG2-CD1 3.77Å; M469-L662 HydrophobicContact CE-CD2 3.93Å; M469-L662 HydrophobicContact SD-CD2 4.22Å; Y582-L662 HydrophobicContact CD1-CD2 3.98Å; Y582-L662 HydrophobicContact CD1-CG 4.41Å; Y582-L662 HydrophobicContact CE1-CD2 3.29Å; Y582-L662 HydrophobicContact CE1-CG 3.79Å; Y582-L662 PolarHBondContact OH-O 3.24Å; Y582-L662 VanDerWaalsContact OH-O 3.13Å; I646-L662 HydrophobicContact CD1-CB 4.07Å; I646-L662 HydrophobicContact CD1-CD1 3.88Å; I646-L662 HydrophobicContact CD1-CG 4.42Å; D658-L662 WeakPolarHBondContact O-CB 3.2Å; D658-L662 PolarHBondContact O-N 3.3Å; L659-L662 WeakPolarHBondContact O-CB 3.21Å; L659-L662 PolarHBondContact O-N 2.98Å; E660-L662 VanDerWaalsContact C-N 3.34Å; E660-L662 PolarHBondContact O-N 3.44Å
663	L	77.6	Confident	71.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-86.2	-14.5	-178.3	-63.9	178.7	0	0	0	113.6	M469 E472 L473 R476 L659 E660	M469-L663 HydrophobicContact CE-CD2 4.31Å; E472-L663 HydrophobicContact CB-CD1 3.57Å; E472-L663 HydrophobicContact CG-CD1 4.43Å; E472-L663 WeakPolarHBondContact OE2-CD1 3.34Å; L473-L663 HydrophobicContact CD1-CD2 4.43Å; L473-L663 HydrophobicContact CD2-CD2 3.76Å; L473-L663 HydrophobicContact CG-CD2 3.94Å; R476-L663 VanDerWaalsContact NH1-CB 3.31Å; R476-L663 PolarHBondContact NH1-O 3.2Å; L659-L663 HydrophobicContact CD1-CD1 4.18Å; L659-L663 HydrophobicContact CD1-CG 4.33Å; L659-L663 HydrophobicContact CG-CD1 4.13Å; L659-L663 WeakPolarHBondContact O-CB 3.23Å; L659-L663 WeakPolarHBondContact O-CG 3.29Å; L659-L663 PolarHBondContact O-N 2.85Å; E660-L663 PolarHBondContact O-N 3.48Å
664	D	77.4	Confident	71.5	Confident	66 Å²	66	62.8 Å²	62.8	35%	0.353	34%	0.337	S	S	.	.			trans	-64.9	134.7	178.9	-171.7	15.9	0	0	0	111.7	R326 E660 S666	R326-D664 PolarHBondContact NH1-O 2.88Å; R326-D664 PolarHBondContact NH2-O 3.06Å; E660-D664 WeakPolarHBondContact O-CB 3.3Å; E660-D664 PolarHBondContact O-N 3.41Å; D664-S666 WeakPolarHBondContact OD1-CB 3.35Å; D664-S666 PolarHBondContact OD1-N 3.45Å; D664-S666 PolarHBondContact OD1-OG 3.47Å; D664-S666 VanDerWaalsContact OD1-OG 3.12Å; D664-S666 PolarHBondContact OD2-OG 2.95Å
665	R	75.4	Confident	71.1	Confident	12 Å²	12	66.8 Å²	66.8	5%	0.045	37%	0.366	C	S	.	.			trans	-123.3	6.4	-178.3	-56.4	-174.2	-171.9	-178.3	6.8	112.7	H478 D549 T550 V580 D667 L668 I669	H478-R665 PolarHBondContact CD2-NH2 3.23Å; H478-R665 VanDerWaalsContact CE1-CZ 3.43Å; H478-R665 PolarHBondContact CE1-NH1 3.49Å; H478-R665 VanDerWaalsContact CE1-NH1 3.34Å; H478-R665 PolarHBondContact ND1-NH1 3.33Å; D549-R665 VanDerWaalsContact CG-NH1 3.29Å; D549-R665 IonicContact OD1-NH1 3.64Å; D549-R665 IonicContact OD2-CZ 2.63Å; D549-R665 IonicContact OD2-NH1 2.7Å; D549-R665 PolarHBondContact OD2-NH1 3.16Å; T550-R665 PolarHBondContact OG1-NH2 3.35Å; V580-R665 HydrophobicContact CG2-CG 4.18Å; R665-D667 PolarHBondContact O-N 2.89Å; R665-L668 PolarHBondContact O-N 3.09Å; R665-L668 VanDerWaalsContact O-N 3.11Å; R665-I669 HydrophobicContact CB-CD1 4.38Å; R665-I669 WeakPolarHBondContact O-CG1 3.49Å; R665-I669 PolarHBondContact O-N 3.38Å
666	S	73.6	Confident	69.6	Low	53 Å²	53	67 Å²	67	37%	0.371	38%	0.375	S	S	.	.	H	α-helix	trans	-49.3	-47.6	178.2	56.7	0	0	0	0	111.5	D664 L668 I669 D670	D664-S666 WeakPolarHBondContact OD1-CB 3.35Å; D664-S666 PolarHBondContact OD1-N 3.45Å; D664-S666 PolarHBondContact OD1-OG 3.47Å; D664-S666 VanDerWaalsContact OD1-OG 3.12Å; D664-S666 PolarHBondContact OD2-OG 2.95Å; S666-L668 PolarHBondContact O-N 3.35Å; S666-I669 PolarHBondContact O-N 2.89Å; S666-D670 WeakPolarHBondContact O-CB 3.29Å; S666-D670 VanDerWaalsContact O-CG 3.23Å; S666-D670 PolarHBondContact O-N 3.15Å
667	D	75.1	Confident	67.8	Low	38 Å²	38	66.9 Å²	66.9	20%	0.203	38%	0.38	C	S	.	.	H	α-helix	trans	-57	-42.4	176.7	58.8	-10.8	0	0	0	114.5	R326 R644 R665 D670 Q671	R326-D667 IonicContact CZ-OD1 3.87Å; R326-D667 IonicContact NH1-OD1 3.64Å; R326-D667 PolarHBondContact NH1-OD1 3.44Å; R326-D667 IonicContact NH1-OD2 3.05Å; R326-D667 PolarHBondContact NH1-OD2 3.07Å; R644-D667 IonicContact CZ-OD2 2.78Å; R644-D667 IonicContact NH2-OD2 3.48Å; R644-D667 PolarHBondContact NH2-OD2 3.31Å; R665-D667 PolarHBondContact O-N 2.89Å; D667-D670 PolarHBondContact O-N 3.09Å; D667-Q671 VanDerWaalsContact O-CG 3.3Å; D667-Q671 WeakPolarHBondContact O-CG 3.49Å; D667-Q671 PolarHBondContact O-N 2.67Å
668	L	72.4	Confident	66	Low	2 Å²	2	67 Å²	67	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-73	-34.9	178.5	-67.1	172.4	0	0	0	112.3	P324 R326 P578 V580 R665 S666 D670 M672	P324-L668 HydrophobicContact CB-CD2 4.13Å; P324-L668 HydrophobicContact CG-CB 4.41Å; P324-L668 HydrophobicContact CG-CD2 4.2Å; R326-L668 HydrophobicContact CB-CD1 3.9Å; R326-L668 HydrophobicContact CB-CD2 4.17Å; P578-L668 HydrophobicContact CB-CB 3.84Å; P578-L668 HydrophobicContact CB-CD1 4.29Å; P578-L668 HydrophobicContact CG-CB 4.33Å; V580-L668 HydrophobicContact CG2-CD1 3.8Å; R665-L668 PolarHBondContact O-N 3.09Å; R665-L668 VanDerWaalsContact O-N 3.11Å; S666-L668 PolarHBondContact O-N 3.35Å; L668-D670 VanDerWaalsContact C-N 3.35Å; L668-M672 WeakPolarHBondContact O-CB 3.38Å; L668-M672 PolarHBondContact O-N 3.3Å
669	I	74.3	Confident	64	Low	71 Å²	71	72 Å²	72	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-40.4	175.2	-65	164.9	0	0	0	109.5	P578 R665 S666 M672 N673	P578-I669 HydrophobicContact CG-CG1 4.18Å; R665-I669 HydrophobicContact CB-CD1 4.38Å; R665-I669 WeakPolarHBondContact O-CG1 3.49Å; R665-I669 PolarHBondContact O-N 3.38Å; S666-I669 PolarHBondContact O-N 2.89Å; I669-M672 WeakPolarHBondContact O-CB 3.16Å; I669-M672 PolarHBondContact O-N 3.45Å; I669-N673 WeakPolarHBondContact O-CB 3.49Å; I669-N673 PolarHBondContact O-N 3.16Å; I669-N673 PolarHBondContact O-ND2 3.17Å
670	D	71.9	Confident	61.8	Low	101 Å²	101	79.6 Å²	79.6	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-65.3	-42	175.6	-69.9	-20.9	0	0	0	111.9	S666 D667 L668 M672 N673 A674	S666-D670 WeakPolarHBondContact O-CB 3.29Å; S666-D670 VanDerWaalsContact O-CG 3.23Å; S666-D670 PolarHBondContact O-N 3.15Å; D667-D670 PolarHBondContact O-N 3.09Å; L668-D670 VanDerWaalsContact C-N 3.35Å; D670-M672 VanDerWaalsContact C-N 3.33Å; D670-M672 PolarHBondContact O-N 3.38Å; D670-N673 PolarHBondContact O-N 3.28Å; D670-A674 VanDerWaalsContact O-CB 3.24Å; D670-A674 WeakPolarHBondContact O-CB 3.18Å; D670-A674 PolarHBondContact O-N 2.95Å
671	Q	66.9	Low	59.5	Low	99 Å²	99	84 Å²	84	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-41.9	172.2	-74.9	175.6	15.1	0	0	111.9	P324 D667 A674 S675	P324-Q671 HydrophobicContact CG-CB 4.48Å; D667-Q671 VanDerWaalsContact O-CG 3.3Å; D667-Q671 WeakPolarHBondContact O-CG 3.49Å; D667-Q671 PolarHBondContact O-N 2.67Å; Q671-A674 PolarHBondContact O-N 2.94Å; Q671-S675 VanDerWaalsContact O-CB 3.29Å; Q671-S675 WeakPolarHBondContact O-CB 3.34Å; Q671-S675 PolarHBondContact O-N 3.04Å; Q671-S675 PolarHBondContact O-OG 3Å
672	M	66.4	Low	57.1	Low	59 Å²	59	86.9 Å²	86.9	29%	0.291	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-44	176.5	-169.6	179.3	75.1	0	0	111.2	P323 L668 I669 D670 S675	P323-M672 HydrophobicContact CB-SD 4.27Å; P323-M672 HydrophobicContact CG-SD 4.4Å; L668-M672 WeakPolarHBondContact O-CB 3.38Å; L668-M672 PolarHBondContact O-N 3.3Å; I669-M672 WeakPolarHBondContact O-CB 3.16Å; I669-M672 PolarHBondContact O-N 3.45Å; D670-M672 VanDerWaalsContact C-N 3.33Å; D670-M672 PolarHBondContact O-N 3.38Å; M672-S675 WeakPolarHBondContact CA-OG 3.47Å; M672-S675 PolarHBondContact O-N 3.46Å; M672-S675 PolarHBondContact O-OG 3.32Å
673	N	64.3	Low	54.9	Low	98 Å²	98	89.8 Å²	89.8	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-68.1	-38.4	177.6	-69.1	-23.8	0	0	0	112.5	I669 D670 S675 G676	I669-N673 WeakPolarHBondContact O-CB 3.49Å; I669-N673 PolarHBondContact O-N 3.16Å; I669-N673 PolarHBondContact O-ND2 3.17Å; D670-N673 PolarHBondContact O-N 3.28Å; N673-S675 PolarHBondContact O-N 2.88Å; N673-G676 PolarHBondContact O-N 3.25Å; N673-G676 VanDerWaalsContact O-O 3.12Å
674	A	60.9	Low	52.4	Low	90 Å²	90	97.8 Å²	97.8	74%	0.744	54%	0.543	S	S	*	.	H	α-helix	trans	-67.2	-26.2	173.8	0	0	0	0	0	112.2	D670 Q671 G676	D670-A674 VanDerWaalsContact O-CB 3.24Å; D670-A674 WeakPolarHBondContact O-CB 3.18Å; D670-A674 PolarHBondContact O-N 2.95Å; Q671-A674 PolarHBondContact O-N 2.94Å; A674-G676 VanDerWaalsContact C-N 3.33Å
675	S	52.9	Low	49.9	Very low	94 Å²	94	103.3 Å²	103.3	66%	0.657	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	4	177.2	71.2	0	0	0	0	115	Q671 M672 N673	Q671-S675 VanDerWaalsContact O-CB 3.29Å; Q671-S675 WeakPolarHBondContact O-CB 3.34Å; Q671-S675 PolarHBondContact O-N 3.04Å; Q671-S675 PolarHBondContact O-OG 3Å; M672-S675 WeakPolarHBondContact CA-OG 3.47Å; M672-S675 PolarHBondContact O-N 3.46Å; M672-S675 PolarHBondContact O-OG 3.32Å; N673-S675 PolarHBondContact O-N 2.88Å
676	G	37.2	Very low	47.6	Very low	46 Å²	46	111.9 Å²	111.9	47%	0.474	60%	0.602	S	S	.	*			trans	-135.9	159	174.8	0	0	0	0	0	114.4	N673 A674	N673-G676 PolarHBondContact O-N 3.25Å; N673-G676 VanDerWaalsContact O-O 3.12Å; A674-G676 VanDerWaalsContact C-N 3.33Å
677	P	35.5	Very low	45.2	Very low	113 Å²	113	115.2 Å²	115.2	73%	0.734	61%	0.614	S	S	*	*			cis	-87.9	141.9	-39.2	34	-23.3	0	0	0	110	K679	P677-K679 PolarHBondContact O-N 3.35Å
678	I	32.7	Very low	43.1	Very low	171 Å²	171	120.9 Å²	120.9	88%	0.877	64%	0.643	S	S	*	*			trans	-65.9	97.2	150	-62.7	171.1	0	0	0	104.2	E680	I678-E680 PolarHBondContact O-N 3.28Å
679	K	29.7	Very low	40.8	Very low	176 Å²	176	129 Å²	129	77%	0.765	68%	0.681	S	S	*	*			trans	-45.5	121.6	166	-82.7	-178.4	175.2	178.5	0	106.6	P677 K681	P677-K679 PolarHBondContact O-N 3.35Å; K679-K681 PolarHBondContact O-N 3.27Å
680	E	29	Very low	38.5	Very low	162 Å²	162	132.6 Å²	132.6	76%	0.757	70%	0.701	S	S	*	*			trans	-38.7	110.9	159.9	-68	173.4	142.4	0	0	107.4	I678 M682	I678-E680 PolarHBondContact O-N 3.28Å; E680-M682 HydrophobicContact CB-CG 4.47Å; E680-M682 PolarHBondContact O-N 3.19Å
681	K	28.2	Very low	36.2	Very low	212 Å²	212	133.7 Å²	133.7	92%	0.922	72%	0.717	S	S	*	*			trans	-70.3	70.7	153.9	-80.2	-172.7	176.3	-179.6	0	106.1	K679	K679-K681 PolarHBondContact O-N 3.27Å
682	M	24	Very low	34.2	Very low	158 Å²	158	137 Å²	137	78%	0.778	73%	0.732	S	S	*	*			trans	-54.8	137.5	152.8	-99.2	-166.9	157	0	0	107.1	E680 I684	E680-M682 HydrophobicContact CB-CG 4.47Å; E680-M682 PolarHBondContact O-N 3.19Å; M682-I684 PolarHBondContact O-N 2.99Å
683	G	27.8	Very low	32.2	Very low	64 Å²	64	141.8 Å²	141.8	66%	0.66	76%	0.759	S	S	*	*			trans	-56.7	133.2	-159	0	0	0	0	0	114.3	F685	G683-F685 PolarHBondContact O-N 3.39Å; G683-F685 VanDerWaalsContact O-N 3.14Å
684	I	24.3	Very low	30.4	Very low	168 Å²	168	142.6 Å²	142.6	86%	0.862	77%	0.772	S	S	*	*			trans	-80.1	87.5	153.4	-59.3	171.9	0	0	0	105.4	M682 K686	M682-I684 PolarHBondContact O-N 2.99Å; I684-K686 PolarHBondContact O-N 3.38Å
685	F	25.4	Very low	28.6	Very low	183 Å²	183	143.5 Å²	143.5	80%	0.803	77%	0.774	S	S	*	*			trans	-56.6	115.8	151.8	-90.4	-92.5	0	0	0	106.8	G683 I687	G683-F685 PolarHBondContact O-N 3.39Å; G683-F685 VanDerWaalsContact O-N 3.14Å; F685-I687 VanDerWaalsContact C-N 3.26Å; F685-I687 HydrophobicContact CB-CG1 4.26Å; F685-I687 PolarHBondContact O-N 2.86Å
686	K	26.3	Very low	27.7	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	78%	0.777	S	S	*	*			trans	-77	84.7	168.3	-154	-179.9	-170.1	-176.2	0	106.5	I684 L688	I684-K686 PolarHBondContact O-N 3.38Å; K686-L688 PolarHBondContact O-N 2.83Å
687	I	24.3	Very low	27.1	Very low	122 Å²	122	150.5 Å²	150.5	63%	0.626	79%	0.793	S	S	*	*			trans	-79.7	108.4	166.6	-62	174.7	0	0	0	105.6	F685 E689	F685-I687 VanDerWaalsContact C-N 3.26Å; F685-I687 HydrophobicContact CB-CG1 4.26Å; F685-I687 PolarHBondContact O-N 2.86Å; I687-E689 HydrophobicContact CG2-CB 4.48Å; I687-E689 HydrophobicContact CG2-CG 3.88Å; I687-E689 PolarHBondContact O-N 2.85Å
688	L	30.6	Very low	26.5	Very low	158 Å²	158	150.5 Å²	150.5	83%	0.827	79%	0.794	S	S	*	*			trans	-65.2	104.8	160.6	-92.4	134.5	0	0	0	106.8	K686	K686-L688 PolarHBondContact O-N 2.83Å
689	E	25.1	Very low	26.3	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	79%	0.786	S	S	*	*			trans	-119.6	120.9	162	-92	177.8	-172.2	0	0	109.6	I687	I687-E689 HydrophobicContact CG2-CB 4.48Å; I687-E689 HydrophobicContact CG2-CG 3.88Å; I687-E689 PolarHBondContact O-N 2.85Å
690	N	24.6	Very low	26.4	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	81%	0.806	S	S	*	*			trans	-45.7	132	176.9	-64.5	-26.1	0	0	0	112.2
691	S	24	Very low	26.2	Very low	125 Å²	125	152.7 Å²	152.7	87%	0.874	81%	0.808	S	S	*	*			trans	-90.1	101.9	158.1	33.8	0	0	0	0	107.6
692	E	25.5	Very low	26.1	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	80%	0.802	S	S	*	*			trans	-112.2	146.5	158.1	-79.2	-173.1	161.5	0	0	108.7
693	D	24.6	Very low	26.3	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	80%	0.803	S	S	*	*			trans	80.6	115	177.4	-57.5	-21.9	0	0	0	116.1
694	S	25.7	Very low	26.2	Very low	115 Å²	115	154.1 Å²	154.1	80%	0.804	81%	0.812	S	S	*	*			cis	-165.5	149.9	28.5	38.2	0	0	0	0	112.8
695	S	24.2	Very low	26.3	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	81%	0.809	S	S	*	*			trans	-51.1	-174.6	176.1	57.1	0	0	0	0	117.1
696	P	34.2	Very low	26.4	Very low	111 Å²	111	151.2 Å²	151.2	72%	0.721	81%	0.809	S	S	*	*			cis	-136.4	-170.1	3.3	32.7	-8.2	0	0	0	115.8
697	E	23.7	Very low	26.4	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	81%	0.807	S	S	*	*			trans	104.2	95.9	165.2	-61.7	-172.2	164.1	0	0	115.9
698	C	23.8	Very low	26.5	Very low	113 Å²	113	150.3 Å²	150.3	76%	0.764	82%	0.821	S	S	*	*				71.8	121.6	88	-86.7	0	0	0	0	111
699	L	27.1	Very low	26.2	Very low	135 Å²	135	149.7 Å²	149.7	71%	0.707	82%	0.821	S	S	*	*			cis	-176	152.4	42.5	-95.2	139.4	0	0	0	108.9
700	F	31.7	Very low	26.3	Very low	267 Å²	267	147.6 Å²	147.6	100%	1.171	82%	0.822	S	S	*	*			trans	75.8	0	163.5	-64.5	-66.3	0	0	0	120.2

Retrieved 700 of 700 residues in 227.3 ms (Link to these results)

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