A0A087Y5N4_POEFO Loading...

Calcitonin gene-related peptide type 1 receptor

G protein-coupled receptor activated by ligand peptides amylin (IAPP), calcitonin (CT/CALCA) and calcitonin gene-related peptide type 1 (CGRP1/CALCA). CALCR interacts with receptor-activity-modifying proteins RAMP1, 2 and 3 to form receptor complexes AMYR1, 2 and 3, respectively. IAPP, CT and CGRP1 activate CALCR and AMYRs with distinct modes of receptor activation resulting in specific phenotypes. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of downstream effectors. Activates cAMP-dependent pathway. May function as G protein-coupled receptor for calcitonin-gene-related peptides and adrenomedullin. Specificity may be modulated by accessory proteins. May activate cAMP-dependent pathway.

AlphaFold DB , UniProt , Accession A0A087Y5N4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 796 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	27.3	Very low	29.4	Very low	241 Å²	241	148.3 Å²	148.3	100%	1.187	79%	0.786	S	S	*	*				0	134.5	0	-76.1	173.5	171.1	0	0	107.8
2	P	29.6	Very low	29.6	Very low	118 Å²	118	147.3 Å²	147.3	77%	0.766	77%	0.773	S	S	*	*				-108.5	114.5	-87.9	33.6	-28.7	0	0	0	112.7
3	S	26.9	Very low	29.6	Very low	119 Å²	119	141.2 Å²	141.2	83%	0.832	76%	0.758	S	S	*	*	S	Bend	trans	-154.1	13	157.3	-82.2	0	0	0	0	112.8
4	F	27.9	Very low	29.6	Very low	199 Å²	199	142.4 Å²	142.4	87%	0.873	76%	0.762	S	S	*	*	S	Bend	trans	-108.6	11.1	-177.8	-109.7	-89.9	0	0	0	113.9
5	V	31.2	Very low	29.6	Very low	104 Å²	104	147.7 Å²	147.7	63%	0.63	77%	0.768	S	S	*	*	S	Bend	trans	-110.2	-13.7	-174.3	-178	0	0	0	0	113.4
6	K	31.4	Very low	29.6	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-10.2	-177.6	-76.3	-175.5	174.8	-179.1	0	115.2
7	T	31.5	Very low	29.5	Very low	119 Å²	119	145.5 Å²	145.5	73%	0.73	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-12.2	179.3	-40.9	0	0	0	0	113.3
8	C	26.9	Very low	29.5	Very low	99 Å²	99	142.2 Å²	142.2	67%	0.669	77%	0.766	S	S	*	*	S	Bend	trans	-89	-8.6	175.1	-78.6	0	0	0	0	114.2
9	I	31.9	Very low	29.4	Very low	114 Å²	114	142.9 Å²	142.9	59%	0.585	77%	0.769	S	S	*	*	S	Bend	trans	-86.3	-19.4	-175.8	-63.3	177.4	0	0	0	112.2
10	F	28.3	Very low	29.2	Very low	179 Å²	179	141.1 Å²	141.1	79%	0.785	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-15	-177.3	-134.4	-95.2	0	0	0	114.6
11	I	31.1	Very low	28.9	Very low	146 Å²	146	137.6 Å²	137.6	75%	0.749	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-16.4	177.4	-64.7	178.6	0	0	0	111.8
12	Q	30.8	Very low	28.7	Very low	136 Å²	136	132.5 Å²	132.5	64%	0.636	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-26	173.4	-149.7	94.6	4.8	0	0	112.2	L14 R15	Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.29Å; Q12-R15 PolarHBondContact O-N 2.86Å
13	A	29.6	Very low	28.5	Very low	69 Å²	69	133.9 Å²	133.9	57%	0.57	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-9	-176.8	0	0	0	0	0	115.2
14	L	30.4	Very low	28.3	Very low	157 Å²	157	132.6 Å²	132.6	82%	0.822	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	1.1	173.8	-76.2	169.9	0	0	0	113.3	Q12	Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.29Å
15	R	30	Very low	28	Very low	223 Å²	223	130.2 Å²	130.2	84%	0.842	74%	0.74	S	S	*	*	S	Bend	trans	-105.6	-4.2	-179.9	-154.8	170.5	-171.7	-153.4	-1.1	114.5	Q12	Q12-R15 PolarHBondContact O-N 2.86Å
16	E	29.4	Very low	27.7	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.752	75%	0.746	S	S	*	*	S	Bend	trans	-114.3	11.5	-178.4	-71.6	-179.8	176.2	0	0	114	A18	E16-A18 VanDerWaalsContact C-N 3.34Å
17	A	27.8	Very low	27.2	Very low	97 Å²	97	126.3 Å²	126.3	80%	0.802	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	27.5	173.9	0	0	0	0	0	113.5
18	A	28.8	Very low	26.8	Very low	86 Å²	86	128.5 Å²	128.5	71%	0.711	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	1.7	-179.6	0	0	0	0	0	114.9	E16	E16-A18 VanDerWaalsContact C-N 3.34Å
19	D	27.2	Very low	26.5	Very low	156 Å²	156	128.8 Å²	128.8	83%	0.834	75%	0.746	S	S	*	*			trans	-143	108.2	175.5	-93.3	-37.6	0	0	0	110.4
20	A	26.5	Very low	26.9	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	76%	0.759	S	S	*	*			trans	172.6	99.7	137.9	0	0	0	0	0	109.9
21	G	23.2	Very low	26.6	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	75%	0.754	S	S	*	*			trans	-85.7	142.4	155.2	0	0	0	0	0	110.9
22	T	22.3	Very low	26.3	Very low	135 Å²	135	126.5 Å²	126.5	83%	0.828	76%	0.762	S	S	*	*			trans	75.1	129.9	140.8	-5.6	0	0	0	0	121.1
23	I	24.4	Very low	25.9	Very low	147 Å²	147	124.2 Å²	124.2	75%	0.754	76%	0.761	S	S	*	*			trans	111.2	105.9	142.1	-60.4	176.6	0	0	0	119.4
24	S	22.9	Very low	25.6	Very low	92 Å²	92	128.1 Å²	128.1	64%	0.643	78%	0.778	S	S	*	*			trans	60.3	123	131.8	79.7	0	0	0	0	126
25	D	23.4	Very low	25.2	Very low	148 Å²	148	124 Å²	124	79%	0.791	77%	0.773	S	S	*	*				75.7	133.8	120.9	-67.4	-22.1	0	0	0	126
26	T	23.7	Very low	24.9	Very low	123 Å²	123	123.2 Å²	123.2	76%	0.755	78%	0.782	S	S	*	*			trans	87.9	102.5	141	22.2	0	0	0	0	123.3
27	S	21.8	Very low	24.6	Very low	93 Å²	93	119 Å²	119	65%	0.65	78%	0.781	S	S	*	*				68.3	143.8	114.1	70.5	0	0	0	0	124.7
28	L	22.3	Very low	24.4	Very low	165 Å²	165	123.4 Å²	123.4	86%	0.864	79%	0.785	S	S	*	*			trans	96.2	119.1	148.1	-81	131.6	0	0	0	120.3
29	S	20.2	Very low	24.1	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	78%	0.781	S	S	*	*			trans	-97	-167.5	154.7	-38	0	0	0	0	109.5
30	P	40.3	Very low	24.1	Very low	133 Å²	133	124.3 Å²	124.3	86%	0.864	78%	0.779	S	S	*	*			cis	-133.8	-177.5	-31.4	27.5	-5.4	0	0	0	113
31	G	23.3	Very low	23.9	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	78%	0.782	S	S	*	*			trans	147.7	124.9	145.4	0	0	0	0	0	120.2
32	Q	23.4	Very low	23.9	Very low	193 Å²	193	130.5 Å²	130.5	90%	0.902	79%	0.785	S	S	*	*			trans	63.5	158	140.1	-75.2	178.8	-16.9	0	0	120.5
33	S	22.3	Very low	24.2	Very low	88 Å²	88	130.1 Å²	130.1	62%	0.615	79%	0.785	S	S	*	*			cis	166.6	143.4	-27.8	62.1	0	0	0	0	105.5
34	T	24.1	Very low	24.2	Very low	151 Å²	151	128.2 Å²	128.2	93%	0.926	79%	0.785	S	S	*	*			trans	150	140.5	154.5	38	0	0	0	0	108.4
35	G	22.6	Very low	24.3	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.797	S	S	*	*			cis	135.2	136.2	8	0	0	0	0	0	110.2
36	M	23.2	Very low	24.3	Very low	206 Å²	206	129.8 Å²	129.8	100%	1.015	80%	0.799	S	S	*	*			trans	88	123.2	167.6	-67.4	-176	158.4	0	0	120.3
37	G	22.6	Very low	24.4	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	81%	0.805	S	S	*	*			trans	-115.3	178.5	157.6	0	0	0	0	0	111.5
38	Q	23.8	Very low	24.5	Very low	190 Å²	190	138.1 Å²	138.1	89%	0.888	82%	0.818	S	S	*	*			trans	-165.7	148.6	160	-121.1	177.2	3.9	0	0	114.7
39	S	23	Very low	24.7	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	82%	0.816	S	S	*	*			trans	76.3	144.1	153.7	-75.9	0	0	0	0	120
40	E	26.3	Very low	25.9	Very low	170 Å²	170	137 Å²	137	79%	0.794	82%	0.816	S	S	*	*			cis	166.3	141.8	-20	-117.9	175.9	138.9	0	0	104.8
41	K	23.7	Very low	25.2	Very low	210 Å²	210	138.5 Å²	138.5	91%	0.913	82%	0.817	S	S	*	*			trans	174.4	122.8	131.5	-99.7	171.9	-177.7	179.1	0	111.6
42	A	22.9	Very low	26.1	Very low	93 Å²	93	147.2 Å²	147.2	77%	0.769	83%	0.829	S	S	*	*			trans	-97.7	169.6	159.4	0	0	0	0	0	110.1
43	P	27.3	Very low	26.6	Very low	128 Å²	128	142.4 Å²	142.4	83%	0.831	82%	0.817	S	S	*	*			trans	-128.4	153.6	132.1	28.7	-13.3	0	0	0	113.6
44	S	24.4	Very low	27.7	Very low	107 Å²	107	144.3 Å²	144.3	75%	0.748	83%	0.83	S	S	*	*			trans	-68.6	167.8	-178.6	51.4	0	0	0	0	113.3
45	Q	26.1	Very low	29	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	81%	0.806	S	S	*	*				179.8	154.2	52.4	-136.7	174.6	20.4	0	0	109.2
46	G	23.5	Very low	30.9	Very low	80 Å²	80	140.5 Å²	140.5	83%	0.825	80%	0.796	S	S	*	*			trans	139.9	85	151.9	0	0	0	0	0	118.1
47	T	25.7	Very low	32.9	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	77%	0.765	S	S	*	*			trans	-82.1	119.5	164.5	3.8	0	0	0	0	111
48	R	24.2	Very low	35.5	Very low	246 Å²	246	131.3 Å²	131.3	93%	0.928	73%	0.731	S	S	*	*			trans	-145.6	113.5	151.7	-86.4	-172.2	-177	172.1	1.5	108.8
49	T	26.2	Very low	37.5	Very low	134 Å²	134	125.4 Å²	125.4	82%	0.822	71%	0.714	S	S	*	*			trans	-88.7	171.4	158.1	42.8	0	0	0	0	109.2
50	P	44.7	Very low	39.8	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	71%	0.71	S	S	*	*			cis	-124.3	150.6	-38.7	32.4	-17.6	0	0	0	109.7
51	N	27.2	Very low	41.4	Very low	163 Å²	163	120.3 Å²	120.3	87%	0.872	69%	0.689	S	S	*	*			trans	-135.8	116	155.6	-122.6	-3.4	0	0	0	110.2	S53	N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.68Å
52	R	40.3	Very low	42.8	Very low	250 Å²	250	118.6 Å²	118.6	94%	0.943	68%	0.677	S	S	*	*			trans	-74.4	82.3	180	-161	179.2	-166.5	-178	2.8	107.2
53	S	35	Very low	44.4	Very low	92 Å²	92	116.6 Å²	116.6	64%	0.643	65%	0.653	S	S	*	*			trans	-89.7	104.9	159	51.5	0	0	0	0	107.1	N51 G55	N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.68Å; S53-G55 PolarHBondContact O-N 3.11Å
54	S	46	Very low	45.5	Very low	128 Å²	128	112 Å²	112	90%	0.895	63%	0.628	S	S	*	*			trans	-61	75.2	165.6	45.6	0	0	0	0	109.8
55	G	51.5	Low	46.9	Very low	41 Å²	41	112.2 Å²	112.2	42%	0.423	62%	0.616	S	S	.	*			trans	-97.7	145.8	162.2	0	0	0	0	0	108.1	S53 F57	S53-G55 PolarHBondContact O-N 3.11Å; G55-F57 WeakPolarHBondContact O-CD2 3.46Å; G55-F57 VanDerWaalsContact O-CE2 3.23Å; G55-F57 WeakPolarHBondContact O-CE2 3.5Å
56	L	62.1	Low	48.7	Very low	100 Å²	100	103.9 Å²	103.9	52%	0.524	58%	0.578	S	S	.	*			trans	-72.2	136.8	167.8	-130.3	61	0	0	0	107.3	A73 K99 S100	L56-A73 HydrophobicContact CB-CB 3.84Å; L56-A73 WeakPolarHBondContact O-CB 3.38Å; L56-A73 PolarHBondContact O-N 2.75Å; L56-K99 VanDerWaalsContact CD2-O 3.29Å; L56-K99 WeakPolarHBondContact CD2-O 3.5Å; L56-S100 VanDerWaalsContact CD2-CA 3.41Å; L56-S100 WeakPolarHBondContact CD2-O 3.34Å
57	F	65.5	Low	50.7	Low	84 Å²	84	104.2 Å²	104.2	37%	0.368	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	147.5	178.6	-68	-98.4	0	0	0	108.3	G55 E70 T71 P72	G55-F57 WeakPolarHBondContact O-CD2 3.46Å; G55-F57 VanDerWaalsContact O-CE2 3.23Å; G55-F57 WeakPolarHBondContact O-CE2 3.5Å; F57-E70 HydrophobicContact CB-CG 4.13Å; F57-E70 HydrophobicContact CD1-CG 4.36Å; F57-T71 WeakPolarHBondContact CA-O 3.38Å; F57-P72 VanDerWaalsContact CD1-CA 3.45Å; F57-P72 HydrophobicContact CD1-CB 4.02Å; F57-P72 HydrophobicContact CD1-CG 4.16Å; F57-P72 HydrophobicContact CE1-CB 3.82Å; F57-P72 HydrophobicContact CE1-CG 3.8Å
58	C	76.1	Confident	53.1	Low	0 Å²	0	97.4 Å²	97.4	0%	0	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.7	168.1	-62.2	0	0	0	0	109.4	E70 T71 C97 G101 D102 W103	C58-E70 WeakPolarHBondContact O-CA 3.33Å; C58-T71 PolarHBondContact N-O 3.33Å; C58-T71 PolarHBondContact O-N 3.1Å; C58-C97 HydrophobicContact CB-CB 3.86Å; C58-C97 WeakPolarHBondContact CB-SG 3.42Å; C58-C97 PolarHBondContact N-SG 3.39Å; C58-C97 WeakPolarHBondContact SG-CA 3.38Å; C58-C97 WeakPolarHBondContact SG-CB 3.42Å; C58-C97 CovalentContact SG-SG 2.01Å; C58-C97 PolarHBondContact SG-SG 3.25Å; C58-G101 WeakPolarHBondContact CA-O 3.29Å; C58-G101 PolarHBondContact SG-O 3.37Å; C58-D102 PolarHBondContact SG-N 2.81Å; C58-D102 PolarHBondContact SG-O 3.31Å; C58-D102 VanDerWaalsContact SG-O 3.4Å; C58-W103 HydrophobicContact CB-CD2 3.74Å; C58-W103 HydrophobicContact CB-CE3 4.47Å; C58-W103 HydrophobicContact CB-CG 3.96Å; C58-W103 HydrophobicContact CB-CZ2 3.86Å; C58-W103 VanDerWaalsContact CB-NE1 3.31Å
59	A	66.2	Low	55.2	Low	66 Å²	66	91.4 Å²	91.4	55%	0.545	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-63.7	149.5	-179.5	0	0	0	0	0	111.4	M61 W103	A59-M61 PolarHBondContact O-N 3.29Å; A59-W103 PolarHBondContact O-NE1 3.44Å
60	P	71.1	Confident	57.6	Low	85 Å²	85	91.2 Å²	91.2	55%	0.552	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-56.1	134.9	174.8	-18.9	28	0	0	0	111	W68 E70	P60-W68 CarbonylContact C-O 3.5Å; P60-W68 WeakPolarHBondContact CA-O 3.12Å; P60-W68 WeakPolarHBondContact CB-O 3.18Å; P60-E70 HydrophobicContact CG-CB 4.01Å
61	M	60	Low	59.1	Low	69 Å²	69	86.2 Å²	86.2	34%	0.34	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.7	-178.3	72.3	173.3	-53.1	0	0	111.7	A59 W68 W103	A59-M61 PolarHBondContact O-N 3.29Å; M61-W68 HydrophobicContact CG-CB 4.01Å; M61-W68 HydrophobicContact CG-CG 4.29Å; M61-W68 PolarHBondContact N-O 3.04Å; M61-W68 WeakPolarHBondContact O-CB 3.38Å; M61-W68 PolarHBondContact O-N 3.05Å; M61-W103 HydrophobicContact CG-CG 4.33Å; M61-W103 HydrophobicContact SD-CB 3.66Å; M61-W103 HydrophobicContact SD-CD2 4.21Å; M61-W103 HydrophobicContact SD-CG 3.42Å
62	W	53.5	Low	61.5	Low	174 Å²	174	80.8 Å²	80.8	66%	0.659	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	168.8	-178.6	74	0	0	0	108.5	G64 C67	W62-G64 VanDerWaalsContact CH2-CA 3.46Å; W62-G64 VanDerWaalsContact CZ2-CA 3.47Å; W62-G64 VanDerWaalsContact CZ2-O 3.22Å; W62-G64 WeakPolarHBondContact CZ2-O 3.34Å; W62-C67 VanDerWaalsContact CD1-SG 3.54Å
63	D	56.5	Low	63	Low	52 Å²	52	70.5 Å²	70.5	28%	0.278	41%	0.41	S	S	.	.			trans	-107.1	16.2	-171.3	68.2	-1	0	0	0	114.3	F65 L66 W68 K95	D63-F65 PolarHBondContact OD1-N 3.26Å; D63-L66 PolarHBondContact N-O 3.45Å; D63-L66 PolarHBondContact OD1-N 3.23Å; D63-L66 VanDerWaalsContact OD1-O 3.12Å; D63-W68 VanDerWaalsContact CG-NE1 3.35Å; D63-W68 PolarHBondContact OD2-NE1 3.05Å; D63-K95 VanDerWaalsContact CB-NZ 3.3Å; D63-K95 IonicContact OD2-NZ 3.01Å; D63-K95 PolarHBondContact OD2-NZ 2.95Å
64	G	49.1	Very low	64.9	Low	30 Å²	30	67.6 Å²	67.6	31%	0.309	40%	0.395	S	S	.	.	S	Bend	trans	100.7	-20.7	-177.8	0	0	0	0	0	114	W62	W62-G64 VanDerWaalsContact CH2-CA 3.46Å; W62-G64 VanDerWaalsContact CZ2-CA 3.47Å; W62-G64 VanDerWaalsContact CZ2-O 3.22Å; W62-G64 WeakPolarHBondContact CZ2-O 3.34Å
65	F	55.3	Low	66.3	Low	112 Å²	112	66.9 Å²	66.9	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-135.5	-36.3	-176.9	-59.4	-82.8	0	0	0	113.4	D63 C110	D63-F65 PolarHBondContact OD1-N 3.26Å; F65-C110 HydrophobicContact CB-CB 4.26Å; F65-C110 HydrophobicContact CG-CB 4.33Å
66	L	62.7	Low	67.5	Low	19 Å²	19	68.5 Å²	68.5	10%	0.099	38%	0.382	C	S	.	.			trans	-131.2	149.1	-177.9	-68.8	170.1	0	0	0	112	D63 L79 Q80 P82	D63-L66 PolarHBondContact N-O 3.45Å; D63-L66 PolarHBondContact OD1-N 3.23Å; D63-L66 VanDerWaalsContact OD1-O 3.12Å; L66-L79 HydrophobicContact CD1-CB 4.06Å; L66-Q80 WeakPolarHBondContact CD2-O 3.33Å; L66-P82 HydrophobicContact CD2-CG 4.11Å
67	C	65.1	Low	68.2	Low	86 Å²	86	65.6 Å²	65.6	58%	0.581	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.1	172	-88.5	0	0	0	0	110.3	W62 L79	W62-C67 VanDerWaalsContact CD1-SG 3.54Å; C67-L79 VanDerWaalsContact O-CD1 3.28Å; C67-L79 WeakPolarHBondContact O-CD1 3.34Å
68	W	76.3	Confident	68.7	Low	2 Å²	2	64.9 Å²	64.9	1%	0.008	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.3	177.2	-59.2	87.1	0	0	0	109.7	P60 M61 D63 V77 L79 V93 K95 W103	P60-W68 CarbonylContact C-O 3.5Å; P60-W68 WeakPolarHBondContact CA-O 3.12Å; P60-W68 WeakPolarHBondContact CB-O 3.18Å; M61-W68 HydrophobicContact CG-CB 4.01Å; M61-W68 HydrophobicContact CG-CG 4.29Å; M61-W68 PolarHBondContact N-O 3.04Å; M61-W68 WeakPolarHBondContact O-CB 3.38Å; M61-W68 PolarHBondContact O-N 3.05Å; D63-W68 VanDerWaalsContact CG-NE1 3.35Å; D63-W68 PolarHBondContact OD2-NE1 3.05Å; W68-V77 HydrophobicContact CE3-CB 4.3Å; W68-V77 HydrophobicContact CE3-CG1 4.09Å; W68-V77 HydrophobicContact CZ3-CB 4.13Å; W68-V77 HydrophobicContact CZ3-CG1 3.99Å; W68-V77 VanDerWaalsContact CZ3-O 3.31Å; W68-V77 WeakPolarHBondContact CZ3-O 3.42Å; W68-L79 HydrophobicContact CD2-CD1 4.01Å; W68-L79 HydrophobicContact CE3-CD1 3.75Å; W68-L79 HydrophobicContact CE3-CG 4.35Å; W68-L79 HydrophobicContact CH2-CB 4.33Å; W68-L79 HydrophobicContact CH2-CD1 4.41Å; W68-L79 HydrophobicContact CH2-CG 4.47Å; W68-L79 HydrophobicContact CZ3-CB 4.43Å; W68-L79 HydrophobicContact CZ3-CD1 3.96Å; W68-L79 HydrophobicContact CZ3-CG 4.08Å; W68-V93 HydrophobicContact CH2-CG1 4.31Å; W68-V93 WeakPolarHBondContact CH2-O 3.3Å; W68-V93 HydrophobicContact CZ2-CG1 4.13Å; W68-K95 HydrophobicContact CD2-CD 4Å; W68-K95 HydrophobicContact CE3-CB 4.13Å; W68-K95 HydrophobicContact CE3-CD 4.46Å; W68-K95 HydrophobicContact CH2-CB 3.88Å; W68-K95 HydrophobicContact CH2-CD 4.22Å; W68-K95 HydrophobicContact CH2-CG 3.77Å; W68-K95 HydrophobicContact CZ2-CB 4.27Å; W68-K95 HydrophobicContact CZ2-CD 3.73Å; W68-K95 HydrophobicContact CZ2-CG 3.73Å; W68-K95 HydrophobicContact CZ3-CB 3.82Å; W68-K95 HydrophobicContact CZ3-CG 4.2Å; W68-W103 HydrophobicContact CB-CH2 4.27Å; W68-W103 HydrophobicContact CB-CZ2 4.01Å; W68-W103 HydrophobicContact CE3-CH2 4.39Å; W68-W103 HydrophobicContact CE3-CZ3 4.38Å
69	N	69.5	Low	68.4	Low	120 Å²	120	67.7 Å²	67.7	64%	0.642	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-84.1	163	179.5	-69	-18.5	0	0	0	111.6	T71 W103	N69-T71 PolarHBondContact O-N 3.14Å; N69-T71 PolarHBondContact O-OG1 3.33Å; N69-W103 WeakPolarHBondContact O-CZ2 3.43Å
70	E	76.5	Confident	68.5	Low	130 Å²	130	70.1 Å²	70.1	61%	0.607	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-54.5	124.2	177.6	-169.7	174.7	-166.6	0	0	110.8	F57 C58 P60	F57-E70 HydrophobicContact CB-CG 4.13Å; F57-E70 HydrophobicContact CD1-CG 4.36Å; C58-E70 WeakPolarHBondContact O-CA 3.33Å; P60-E70 HydrophobicContact CG-CB 4.01Å
71	T	74.6	Confident	68.4	Low	7 Å²	7	67.1 Å²	67.1	4%	0.043	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	-171.4	-59.2	0	0	0	0	110.3	F57 C58 N69 E75 V77 C97 W103	F57-T71 WeakPolarHBondContact CA-O 3.38Å; C58-T71 PolarHBondContact N-O 3.33Å; C58-T71 PolarHBondContact O-N 3.1Å; N69-T71 PolarHBondContact O-N 3.14Å; N69-T71 PolarHBondContact O-OG1 3.33Å; T71-E75 HydrophobicContact CG2-CB 4.07Å; T71-V77 HydrophobicContact CG2-CG2 3.52Å; T71-V77 WeakPolarHBondContact OG1-CG2 3.42Å; T71-C97 HydrophobicContact CG2-CB 4.2Å; T71-C97 PolarHBondContact O-SG 2.65Å; T71-W103 HydrophobicContact CG2-CH2 4.2Å; T71-W103 VanDerWaalsContact OG1-CH2 3.23Å; T71-W103 WeakPolarHBondContact OG1-CH2 3.44Å
72	P	77.8	Confident	68.2	Low	50 Å²	50	67.1 Å²	67.1	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	143.4	178.6	-13.6	24.4	0	0	0	112.8	F57 G74 E75	F57-P72 VanDerWaalsContact CD1-CA 3.45Å; F57-P72 HydrophobicContact CD1-CB 4.02Å; F57-P72 HydrophobicContact CD1-CG 4.16Å; F57-P72 HydrophobicContact CE1-CB 3.82Å; F57-P72 HydrophobicContact CE1-CG 3.8Å; P72-G74 PolarHBondContact O-N 3.45Å; P72-E75 PolarHBondContact O-N 2.54Å
73	A	73	Confident	68.2	Low	33 Å²	33	66 Å²	66	27%	0.273	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	122.9	173.3	0	0	0	0	0	111.5	L56 C97 D98	L56-A73 HydrophobicContact CB-CB 3.84Å; L56-A73 WeakPolarHBondContact O-CB 3.38Å; L56-A73 PolarHBondContact O-N 2.75Å; A73-C97 VanDerWaalsContact CA-SG 3.55Å; A73-D98 WeakPolarHBondContact CA-O 3.3Å; A73-D98 WeakPolarHBondContact CB-O 3.34Å
74	G	74.4	Confident	68	Low	32 Å²	32	68.7 Å²	68.7	33%	0.33	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	-2.8	-178.4	0	0	0	0	0	115.6	P72 Y96 C97	P72-G74 PolarHBondContact O-N 3.45Å; G74-Y96 VanDerWaalsContact C-CE2 3.41Å; G74-Y96 WeakPolarHBondContact CA-OH 3.26Å; G74-Y96 WeakPolarHBondContact O-CE2 3.45Å; G74-C97 WeakPolarHBondContact CA-O 3.37Å; G74-C97 PolarHBondContact N-O 3.33Å
75	E	74.8	Confident	67.7	Low	112 Å²	112	73.2 Å²	73.2	52%	0.523	41%	0.414	S	S	.	.			trans	-108	149.7	179.3	-73.8	-169.2	162.1	0	0	113.5	T71 P72 C97	T71-E75 HydrophobicContact CG2-CB 4.07Å; P72-E75 PolarHBondContact O-N 2.54Å; E75-C97 PolarHBondContact O-N 3.43Å
76	S	77.7	Confident	67.2	Low	75 Å²	75	74.5 Å²	74.5	52%	0.524	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.2	172.4	60	0	0	0	0	111.6	K95	S76-K95 CarbonylContact C-O 3.6Å; S76-K95 VanDerWaalsContact CA-O 3.26Å; S76-K95 WeakPolarHBondContact CA-O 3.45Å
77	V	75.8	Confident	66.5	Low	39 Å²	39	76.1 Å²	76.1	24%	0.236	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.5	177.2	175.2	0	0	0	0	109.1	W68 T71 L79 T94 K95	W68-V77 HydrophobicContact CE3-CB 4.3Å; W68-V77 HydrophobicContact CE3-CG1 4.09Å; W68-V77 HydrophobicContact CZ3-CB 4.13Å; W68-V77 HydrophobicContact CZ3-CG1 3.99Å; W68-V77 VanDerWaalsContact CZ3-O 3.31Å; W68-V77 WeakPolarHBondContact CZ3-O 3.42Å; T71-V77 HydrophobicContact CG2-CG2 3.52Å; T71-V77 WeakPolarHBondContact OG1-CG2 3.42Å; V77-L79 HydrophobicContact CG1-CG 4.23Å; V77-T94 CarbonylContact O-C 3.57Å; V77-T94 VanDerWaalsContact O-CA 3.25Å; V77-T94 WeakPolarHBondContact O-CA 3.33Å; V77-T94 WeakPolarHBondContact O-CG2 3.38Å; V77-K95 PolarHBondContact N-O 2.92Å; V77-K95 PolarHBondContact O-N 3.3Å
78	T	76.8	Confident	65.3	Low	70 Å²	70	75.6 Å²	75.6	43%	0.429	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.8	179.1	-54	0	0	0	0	110.2	N92 V93 T94	T78-N92 HydrophobicContact CG2-CB 3.77Å; T78-V93 CarbonylContact C-O 3.5Å; T78-V93 VanDerWaalsContact CA-O 3.3Å; T78-V93 WeakPolarHBondContact CA-O 3.47Å; T78-T94 WeakPolarHBondContact CB-OG1 3.44Å; T78-T94 VanDerWaalsContact CG2-OG1 3.26Å; T78-T94 WeakPolarHBondContact CG2-OG1 3.48Å; T78-T94 WeakPolarHBondContact OG1-CB 3.27Å; T78-T94 VanDerWaalsContact OG1-CG2 3.24Å; T78-T94 WeakPolarHBondContact OG1-CG2 3.16Å; T78-T94 PolarHBondContact OG1-OG1 3.48Å
79	L	69.7	Low	63.6	Low	59 Å²	59	79.1 Å²	79.1	31%	0.309	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.9	-179.5	-66.1	174.4	0	0	0	110.5	L66 C67 W68 V77 V93	L66-L79 HydrophobicContact CD1-CB 4.06Å; C67-L79 VanDerWaalsContact O-CD1 3.28Å; C67-L79 WeakPolarHBondContact O-CD1 3.34Å; W68-L79 HydrophobicContact CD2-CD1 4.01Å; W68-L79 HydrophobicContact CE3-CD1 3.75Å; W68-L79 HydrophobicContact CE3-CG 4.35Å; W68-L79 HydrophobicContact CH2-CB 4.33Å; W68-L79 HydrophobicContact CH2-CD1 4.41Å; W68-L79 HydrophobicContact CH2-CG 4.47Å; W68-L79 HydrophobicContact CZ3-CB 4.43Å; W68-L79 HydrophobicContact CZ3-CD1 3.96Å; W68-L79 HydrophobicContact CZ3-CG 4.08Å; V77-L79 HydrophobicContact CG1-CG 4.23Å; L79-V93 PolarHBondContact N-O 3.11Å; L79-V93 PolarHBondContact O-N 3.44Å
80	Q	68.1	Low	62.8	Low	116 Å²	116	78 Å²	78	54%	0.542	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.8	-175.3	-168.3	163.5	25.6	0	0	111	L66 N92	L66-Q80 WeakPolarHBondContact CD2-O 3.33Å; Q80-N92 WeakPolarHBondContact CB-OD1 3.31Å; Q80-N92 WeakPolarHBondContact CG-OD1 3.42Å
81	C	69.8	Low	62	Low	23 Å²	23	77.1 Å²	77.1	16%	0.155	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-66	148.2	-178.4	-55.4	0	0	0	0	112.3	E91 C110	C81-E91 PolarHBondContact N-O 3.42Å; C81-E91 PolarHBondContact SG-O 2.9Å; C81-C110 HydrophobicContact CB-CB 4.01Å; C81-C110 WeakPolarHBondContact CB-SG 3.5Å; C81-C110 WeakPolarHBondContact SG-CB 3.22Å; C81-C110 CovalentContact SG-SG 2.03Å; C81-C110 PolarHBondContact SG-SG 3.01Å
82	P	55.6	Low	61.5	Low	69 Å²	69	81.5 Å²	81.5	45%	0.448	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-72.4	142.5	178	-11.7	28	0	0	0	112.6	L66 H84	L66-P82 HydrophobicContact CD2-CG 4.11Å; P82-H84 PolarHBondContact O-N 3.41Å; P82-H84 VanDerWaalsContact O-N 3.15Å
83	D	54	Low	61	Low	149 Å²	149	79.4 Å²	79.4	80%	0.797	48%	0.475	S	S	*	.			trans	-71.3	103.7	177.8	-74.3	-33.4	0	0	0	111.4
84	H	51.7	Low	61.1	Low	110 Å²	110	79.7 Å²	79.7	51%	0.509	47%	0.474	S	S	.	.			trans	-129.7	141.8	175.4	-164.6	-79.7	0	0	0	110.3	P82 D86 L87	P82-H84 PolarHBondContact O-N 3.41Å; P82-H84 VanDerWaalsContact O-N 3.15Å; H84-D86 PolarHBondContact O-N 3.47Å; H84-L87 HydrophobicContact CB-CD1 4.24Å; H84-L87 PolarHBondContact O-N 2.92Å
85	P	41.9	Very low	61	Low	125 Å²	125	78.7 Å²	78.7	81%	0.812	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-4.9	-172.1	18.7	-32.2	0	0	0	117.7
86	D	45.9	Very low	61.1	Low	139 Å²	139	76.8 Å²	76.8	74%	0.743	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	0.4	174.9	-69.2	-42	0	0	0	113.3	H84	H84-D86 PolarHBondContact O-N 3.47Å
87	L	46.8	Very low	61.1	Low	53 Å²	53	73.2 Å²	73.2	28%	0.277	42%	0.424	S	S	.	.	S	Bend	trans	-118.4	114.3	-179.4	-75.8	155.3	0	0	0	108.4	H84	H84-L87 HydrophobicContact CB-CD1 4.24Å; H84-L87 PolarHBondContact O-N 2.92Å
88	G	40.4	Very low	61.1	Low	75 Å²	75	73.2 Å²	73.2	77%	0.773	42%	0.423	S	S	*	.			trans	-59.7	141	172.7	0	0	0	0	0	110.9
89	A	40.3	Very low	60.8	Low	75 Å²	75	77.9 Å²	77.9	62%	0.62	44%	0.437	S	S	*	.	S	Bend	trans	-56.4	140.6	-166	0	0	0	0	0	116.2
90	T	53.1	Low	60.8	Low	98 Å²	98	79 Å²	79	60%	0.601	45%	0.449	S	S	*	.			trans	58.8	65.7	156	61.8	0	0	0	0	118.6
91	E	58.9	Low	60.5	Low	110 Å²	110	74 Å²	74	51%	0.514	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-103.5	139.4	158.4	-72.5	-171.8	171.4	0	0	111.1	C81	C81-E91 PolarHBondContact N-O 3.42Å; C81-E91 PolarHBondContact SG-O 2.9Å
92	N	65.8	Low	60.4	Low	99 Å²	99	78 Å²	78	53%	0.529	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129	173.7	-72.9	-6.3	0	0	0	108.6	T78 Q80	T78-N92 HydrophobicContact CG2-CB 3.77Å; Q80-N92 WeakPolarHBondContact CB-OD1 3.31Å; Q80-N92 WeakPolarHBondContact CG-OD1 3.42Å
93	V	67.3	Low	61.1	Low	6 Å²	6	77 Å²	77	4%	0.036	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.3	178.2	180	0	0	0	0	109	W68 T78 L79 C110	W68-V93 HydrophobicContact CH2-CG1 4.31Å; W68-V93 WeakPolarHBondContact CH2-O 3.3Å; W68-V93 HydrophobicContact CZ2-CG1 4.13Å; T78-V93 CarbonylContact C-O 3.5Å; T78-V93 VanDerWaalsContact CA-O 3.3Å; T78-V93 WeakPolarHBondContact CA-O 3.47Å; L79-V93 PolarHBondContact N-O 3.11Å; L79-V93 PolarHBondContact O-N 3.44Å; V93-C110 VanDerWaalsContact CG2-SG 3.52Å
94	T	73.9	Confident	61.9	Low	40 Å²	40	72.8 Å²	72.8	25%	0.245	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.7	178.6	-52.1	0	0	0	0	110.8	V77 T78	V77-T94 CarbonylContact O-C 3.57Å; V77-T94 VanDerWaalsContact O-CA 3.25Å; V77-T94 WeakPolarHBondContact O-CA 3.33Å; V77-T94 WeakPolarHBondContact O-CG2 3.38Å; T78-T94 WeakPolarHBondContact CB-OG1 3.44Å; T78-T94 VanDerWaalsContact CG2-OG1 3.26Å; T78-T94 WeakPolarHBondContact CG2-OG1 3.48Å; T78-T94 WeakPolarHBondContact OG1-CB 3.27Å; T78-T94 VanDerWaalsContact OG1-CG2 3.24Å; T78-T94 WeakPolarHBondContact OG1-CG2 3.16Å; T78-T94 PolarHBondContact OG1-OG1 3.48Å
95	K	72.1	Confident	62.3	Low	11 Å²	11	72 Å²	72	5%	0.048	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.2	171	-75.8	-170.9	172.4	167.6	0	110.9	D63 W68 S76 V77 W103 Q105	D63-K95 VanDerWaalsContact CB-NZ 3.3Å; D63-K95 IonicContact OD2-NZ 3.01Å; D63-K95 PolarHBondContact OD2-NZ 2.95Å; W68-K95 HydrophobicContact CD2-CD 4Å; W68-K95 HydrophobicContact CE3-CB 4.13Å; W68-K95 HydrophobicContact CE3-CD 4.46Å; W68-K95 HydrophobicContact CH2-CB 3.88Å; W68-K95 HydrophobicContact CH2-CD 4.22Å; W68-K95 HydrophobicContact CH2-CG 3.77Å; W68-K95 HydrophobicContact CZ2-CB 4.27Å; W68-K95 HydrophobicContact CZ2-CD 3.73Å; W68-K95 HydrophobicContact CZ2-CG 3.73Å; W68-K95 HydrophobicContact CZ3-CB 3.82Å; W68-K95 HydrophobicContact CZ3-CG 4.2Å; S76-K95 CarbonylContact C-O 3.6Å; S76-K95 VanDerWaalsContact CA-O 3.26Å; S76-K95 WeakPolarHBondContact CA-O 3.45Å; V77-K95 PolarHBondContact N-O 2.92Å; V77-K95 PolarHBondContact O-N 3.3Å; K95-W103 HydrophobicContact CB-CE3 3.81Å; K95-W103 HydrophobicContact CB-CZ3 3.96Å; K95-Q105 HydrophobicContact CG-CG 4.48Å
96	Y	78.3	Confident	62.9	Low	72 Å²	72	70 Å²	70	28%	0.282	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	177.8	178.6	-107.8	0	0	0	110	G74 D98 V104	G74-Y96 VanDerWaalsContact C-CE2 3.41Å; G74-Y96 WeakPolarHBondContact CA-OH 3.26Å; G74-Y96 WeakPolarHBondContact O-CE2 3.45Å; Y96-D98 HydrophobicContact CD1-CB 4.35Å; Y96-D98 HydrophobicContact CE1-CB 4.14Å; Y96-V104 PolarHBondContact N-O 3.43Å; Y96-V104 PolarHBondContact O-N 3.45Å
97	C	77.4	Confident	63.3	Low	0 Å²	0	65.9 Å²	65.9	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.7	169.4	-179.9	0	0	0	0	108.3	C58 T71 A73 G74 E75 W103	C58-C97 HydrophobicContact CB-CB 3.86Å; C58-C97 WeakPolarHBondContact CB-SG 3.42Å; C58-C97 PolarHBondContact N-SG 3.39Å; C58-C97 WeakPolarHBondContact SG-CA 3.38Å; C58-C97 WeakPolarHBondContact SG-CB 3.42Å; C58-C97 CovalentContact SG-SG 2.01Å; C58-C97 PolarHBondContact SG-SG 3.25Å; T71-C97 HydrophobicContact CG2-CB 4.2Å; T71-C97 PolarHBondContact O-SG 2.65Å; A73-C97 VanDerWaalsContact CA-SG 3.55Å; G74-C97 WeakPolarHBondContact CA-O 3.37Å; G74-C97 PolarHBondContact N-O 3.33Å; E75-C97 PolarHBondContact O-N 3.43Å; C97-W103 HydrophobicContact CB-CE3 4.34Å; C97-W103 HydrophobicContact CB-CZ3 4.32Å
98	D	75	Confident	63.6	Low	38 Å²	38	67.4 Å²	67.4	20%	0.203	40%	0.404	C	S	.	.			trans	-75.7	171.6	-176.8	82.7	4.2	0	0	0	113	A73 Y96 S100 G101 D102 V104	A73-D98 WeakPolarHBondContact CA-O 3.3Å; A73-D98 WeakPolarHBondContact CB-O 3.34Å; Y96-D98 HydrophobicContact CD1-CB 4.35Å; Y96-D98 HydrophobicContact CE1-CB 4.14Å; D98-S100 PolarHBondContact O-N 3.4Å; D98-S100 VanDerWaalsContact O-N 3.14Å; D98-S100 VanDerWaalsContact OD1-C 3.3Å; D98-S100 VanDerWaalsContact OD1-CA 3.26Å; D98-S100 WeakPolarHBondContact OD1-CA 3.27Å; D98-S100 VanDerWaalsContact OD1-CB 3.3Å; D98-S100 WeakPolarHBondContact OD1-CB 3.28Å; D98-S100 PolarHBondContact OD1-N 3.49Å; D98-G101 PolarHBondContact O-N 2.93Å; D98-G101 VanDerWaalsContact O-N 3.15Å; D98-G101 PolarHBondContact OD1-N 2.86Å; D98-D102 PolarHBondContact N-O 3.2Å; D98-D102 PolarHBondContact OD1-N 2.86Å; D98-V104 HydrophobicContact CB-CG2 3.87Å
99	K	71.7	Confident	64.4	Low	169 Å²	169	66.2 Å²	66.2	74%	0.735	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.4	-178.8	-65	-176.5	-178.9	178.1	0	113.8	L56	L56-K99 VanDerWaalsContact CD2-O 3.29Å; L56-K99 WeakPolarHBondContact CD2-O 3.5Å
100	S	69.1	Low	65	Low	81 Å²	81	63 Å²	63	57%	0.566	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.3	177.2	-60.9	0	0	0	0	112.8	L56 D98	L56-S100 VanDerWaalsContact CD2-CA 3.41Å; L56-S100 WeakPolarHBondContact CD2-O 3.34Å; D98-S100 PolarHBondContact O-N 3.4Å; D98-S100 VanDerWaalsContact O-N 3.14Å; D98-S100 VanDerWaalsContact OD1-C 3.3Å; D98-S100 VanDerWaalsContact OD1-CA 3.26Å; D98-S100 WeakPolarHBondContact OD1-CA 3.27Å; D98-S100 VanDerWaalsContact OD1-CB 3.3Å; D98-S100 WeakPolarHBondContact OD1-CB 3.28Å; D98-S100 PolarHBondContact OD1-N 3.49Å
101	G	61.6	Low	64.8	Low	13 Å²	13	60 Å²	60	13%	0.134	35%	0.348	C	S	.	.	S	Bend	trans	85.5	16.9	178.1	0	0	0	0	0	113.6	C58 D98	C58-G101 WeakPolarHBondContact CA-O 3.29Å; C58-G101 PolarHBondContact SG-O 3.37Å; D98-G101 PolarHBondContact O-N 2.93Å; D98-G101 VanDerWaalsContact O-N 3.15Å; D98-G101 PolarHBondContact OD1-N 2.86Å
102	D	66.9	Low	63.9	Low	106 Å²	106	59.3 Å²	59.3	57%	0.567	35%	0.354	S	S	*	.			trans	-108.6	143.5	179.5	-68.7	-44.7	0	0	0	112	C58 D98 V104	C58-D102 PolarHBondContact SG-N 2.81Å; C58-D102 PolarHBondContact SG-O 3.31Å; C58-D102 VanDerWaalsContact SG-O 3.4Å; D98-D102 PolarHBondContact N-O 3.2Å; D98-D102 PolarHBondContact OD1-N 2.86Å; D102-V104 PolarHBondContact O-N 2.86Å
103	W	71.4	Confident	62.3	Low	48 Å²	48	60 Å²	60	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.1	178.7	-74.6	107.5	0	0	0	111.4	C58 A59 M61 W68 N69 T71 K95 C97	C58-W103 HydrophobicContact CB-CD2 3.74Å; C58-W103 HydrophobicContact CB-CE3 4.47Å; C58-W103 HydrophobicContact CB-CG 3.96Å; C58-W103 HydrophobicContact CB-CZ2 3.86Å; C58-W103 VanDerWaalsContact CB-NE1 3.31Å; A59-W103 PolarHBondContact O-NE1 3.44Å; M61-W103 HydrophobicContact CG-CG 4.33Å; M61-W103 HydrophobicContact SD-CB 3.66Å; M61-W103 HydrophobicContact SD-CD2 4.21Å; M61-W103 HydrophobicContact SD-CG 3.42Å; W68-W103 HydrophobicContact CB-CH2 4.27Å; W68-W103 HydrophobicContact CB-CZ2 4.01Å; W68-W103 HydrophobicContact CE3-CH2 4.39Å; W68-W103 HydrophobicContact CE3-CZ3 4.38Å; N69-W103 WeakPolarHBondContact O-CZ2 3.43Å; T71-W103 HydrophobicContact CG2-CH2 4.2Å; T71-W103 VanDerWaalsContact OG1-CH2 3.23Å; T71-W103 WeakPolarHBondContact OG1-CH2 3.44Å; K95-W103 HydrophobicContact CB-CE3 3.81Å; K95-W103 HydrophobicContact CB-CZ3 3.96Å; C97-W103 HydrophobicContact CB-CE3 4.34Å; C97-W103 HydrophobicContact CB-CZ3 4.32Å
104	V	69.4	Low	60.8	Low	61 Å²	61	68.1 Å²	68.1	37%	0.37	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	176.8	-174.5	0	0	0	0	109.3	Y96 D98 D102 T106	Y96-V104 PolarHBondContact N-O 3.43Å; Y96-V104 PolarHBondContact O-N 3.45Å; D98-V104 HydrophobicContact CB-CG2 3.87Å; D102-V104 PolarHBondContact O-N 2.86Å; V104-T106 PolarHBondContact O-N 2.63Å
105	Q	61	Low	58.8	Low	93 Å²	93	75.9 Å²	75.9	44%	0.435	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.4	-179.2	-172	166.9	1.1	0	0	110.9	K95 G107	K95-Q105 HydrophobicContact CG-CG 4.48Å; Q105-G107 PolarHBondContact NE2-O 3.02Å
106	T	53.9	Low	56.9	Low	83 Å²	83	79.2 Å²	79.2	51%	0.509	46%	0.461	S	S	.	.			trans	-109.6	72.2	175.9	41.8	0	0	0	0	109.5	V104	V104-T106 PolarHBondContact O-N 2.63Å
107	G	54.7	Low	54.5	Low	53 Å²	53	85.7 Å²	85.7	55%	0.546	49%	0.49	S	S	.	.	S	Bend	trans	150	172.6	177.1	0	0	0	0	0	114.5	Q105	Q105-G107 PolarHBondContact NE2-O 3.02Å
108	S	53.1	Low	52.3	Low	85 Å²	85	92 Å²	92	59%	0.594	52%	0.523	S	S	*	.			trans	-64.9	137.1	175.8	36.1	0	0	0	0	111.6
109	A	56.8	Low	50.1	Low	50 Å²	50	98 Å²	98	41%	0.413	55%	0.549	S	S	.	.			trans	-69.5	157.7	172	0	0	0	0	0	110.8	G111	A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.94Å
110	C	52.8	Low	48.1	Very low	8 Å²	8	99.5 Å²	99.5	5%	0.054	56%	0.559	C	S	.	*	S	Bend	trans	-62.4	88.7	169	-59.5	0	0	0	0	109	F65 C81 V93	F65-C110 HydrophobicContact CB-CB 4.26Å; F65-C110 HydrophobicContact CG-CB 4.33Å; C81-C110 HydrophobicContact CB-CB 4.01Å; C81-C110 WeakPolarHBondContact CB-SG 3.5Å; C81-C110 WeakPolarHBondContact SG-CB 3.22Å; C81-C110 CovalentContact SG-SG 2.03Å; C81-C110 PolarHBondContact SG-SG 3.01Å; V93-C110 VanDerWaalsContact CG2-SG 3.52Å
111	G	50.6	Low	46.2	Very low	34 Å²	34	102.2 Å²	102.2	35%	0.351	57%	0.565	S	S	.	*	S	Bend	trans	-168.4	147.3	-178.2	0	0	0	0	0	110.2	A109	A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.94Å
112	P	38.6	Very low	44.5	Very low	96 Å²	96	105.1 Å²	105.1	62%	0.623	58%	0.583	S	S	*	*			trans	-62.7	142.1	-176.8	25	-32.2	0	0	0	110.6	L114	P112-L114 PolarHBondContact O-N 3.45Å
113	P	32.4	Very low	42.7	Very low	114 Å²	114	109.8 Å²	109.8	74%	0.74	60%	0.598	S	S	*	*			trans	-61.7	138.1	177	23.8	-30.7	0	0	0	110.3	K115	P113-K115 VanDerWaalsContact C-N 3.27Å; P113-K115 PolarHBondContact O-N 3.37Å
114	L	35.7	Very low	40.7	Very low	176 Å²	176	116 Å²	116	92%	0.921	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	80.3	176.8	-172.1	80.2	0	0	0	111.1	P112	P112-L114 PolarHBondContact O-N 3.45Å
115	K	33.3	Very low	38.5	Very low	203 Å²	203	121.7 Å²	121.7	88%	0.883	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.7	-0.2	160.7	-117.3	172.9	-174.5	-179.8	0	117.9	P113	P113-K115 VanDerWaalsContact C-N 3.27Å; P113-K115 PolarHBondContact O-N 3.37Å
116	S	31.2	Very low	36.9	Very low	81 Å²	81	124.4 Å²	124.4	57%	0.566	67%	0.672	S	S	*	*	S	Bend	trans	-115.9	-4.3	-175.3	56.9	0	0	0	0	116.5	I118	S116-I118 PolarHBondContact O-N 3.03Å
117	K	28.6	Very low	36	Very low	207 Å²	207	125.9 Å²	125.9	90%	0.9	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	26.6	174.8	-128.2	175	-171.6	175	0	114.2
118	I	29.8	Very low	35.1	Very low	133 Å²	133	127.6 Å²	127.6	68%	0.682	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-14	172.2	-70.1	177.5	0	0	0	111.7	S116	S116-I118 PolarHBondContact O-N 3.03Å
119	E	28.8	Very low	34.1	Very low	163 Å²	163	127.3 Å²	127.3	76%	0.762	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-10.8	-172.7	-77.5	-176.3	154.2	0	0	116	S122	E119-S122 PolarHBondContact O-OG 2.97Å
120	E	30	Very low	32.8	Very low	201 Å²	201	133.6 Å²	133.6	94%	0.939	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	13.8	173.7	-111.8	-176.1	172.8	0	0	114.8
121	M	29.3	Very low	31.8	Very low	139 Å²	139	137.9 Å²	137.9	69%	0.685	76%	0.76	S	S	*	*	S	Bend	trans	-125.4	39.7	174.4	-147.1	160	61.9	0	0	111.5
122	S	26.9	Very low	31.1	Very low	74 Å²	74	141 Å²	141	52%	0.517	77%	0.772	S	S	.	*			trans	-117.1	55	-179.7	63.7	0	0	0	0	112.1	E119	E119-S122 PolarHBondContact O-OG 2.97Å
123	F	27.9	Very low	31.1	Very low	204 Å²	204	142.3 Å²	142.3	90%	0.895	78%	0.779	S	S	*	*	S	Bend	trans	-129.5	116.1	156.6	-99.4	-90.9	0	0	0	107.2
124	L	30	Very low	31.1	Very low	177 Å²	177	144.5 Å²	144.5	93%	0.927	78%	0.779	S	S	*	*			trans	90.5	71.2	-166.7	-53.2	167.7	0	0	0	114.2
125	K	23.7	Very low	31.3	Very low	181 Å²	181	139 Å²	139	79%	0.787	76%	0.759	S	S	*	*			trans	-120	112.4	150.2	-88.9	-178.6	174.3	177.6	0	107.4
126	D	27.6	Very low	31.6	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	73%	0.731	S	S	*	*			trans	-88.7	159.7	155.5	-79.9	-32.1	0	0	0	109.5	A128	D126-A128 PolarHBondContact O-N 3.4Å
127	A	34.7	Very low	31.8	Very low	113 Å²	113	136.8 Å²	136.8	93%	0.934	74%	0.736	S	S	*	*	S	Bend	trans	-72.8	63.2	-173.2	0	0	0	0	0	113.4
128	A	34.8	Very low	32.4	Very low	89 Å²	89	131.4 Å²	131.4	74%	0.736	72%	0.721	S	S	*	*	S	Bend	trans	-174.2	106.7	154.3	0	0	0	0	0	105.4	D126 E130	D126-A128 PolarHBondContact O-N 3.4Å; A128-E130 PolarHBondContact O-N 2.99Å
129	G	32.2	Very low	33.4	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	72%	0.716	S	S	*	*			trans	-76.1	86.2	-162.9	0	0	0	0	0	115.3
130	E	29.9	Very low	34.5	Very low	181 Å²	181	126 Å²	126	85%	0.846	69%	0.688	S	S	*	*			trans	-139.4	133.4	158	-80.1	-174.9	159.2	0	0	111.7	A128	A128-E130 PolarHBondContact O-N 2.99Å
131	P	31.6	Very low	35.5	Very low	98 Å²	98	121.2 Å²	121.2	64%	0.636	67%	0.666	S	S	*	*			trans	-72.1	142	171.2	28.6	-30.9	0	0	0	111.2	M136	P131-M136 HydrophobicContact CB-CG 4.47Å; P131-M136 HydrophobicContact CB-SD 4.28Å; P131-M136 HydrophobicContact CG-CG 4.48Å; P131-M136 HydrophobicContact CG-SD 3.74Å
132	T	37	Very low	37	Very low	99 Å²	99	122.3 Å²	122.3	61%	0.607	67%	0.667	S	S	*	*			trans	-64.1	135.5	176.2	48.7	0	0	0	0	111.5	E134 A135 M136	T132-E134 PolarHBondContact O-N 2.91Å; T132-E134 VanDerWaalsContact O-N 3.1Å; T132-A135 PolarHBondContact O-N 2.82Å; T132-A135 VanDerWaalsContact O-N 3.16Å; T132-M136 PolarHBondContact O-N 3.42Å
133	T	37.8	Very low	38.8	Very low	124 Å²	124	121.4 Å²	121.4	76%	0.761	66%	0.655	S	S	*	*	H	α-helix	trans	-53.4	-31.3	-179.2	1.1	0	0	0	0	113	W137	T133-W137 PolarHBondContact O-N 3.28Å; T133-W137 VanDerWaalsContact O-N 3.11Å
134	E	33	Very low	40.2	Very low	161 Å²	161	113.3 Å²	113.3	75%	0.752	62%	0.621	S	S	*	*	H	α-helix	trans	-73.4	-37.6	-177.6	-158.7	169.4	-171.6	0	0	113	T132 M136 W137 V138	T132-E134 PolarHBondContact O-N 2.91Å; T132-E134 VanDerWaalsContact O-N 3.1Å; E134-M136 VanDerWaalsContact C-N 3.34Å; E134-W137 PolarHBondContact O-N 3.33Å; E134-V138 WeakPolarHBondContact O-CG2 3.3Å; E134-V138 PolarHBondContact O-N 3.21Å
135	A	38.6	Very low	41.7	Very low	60 Å²	60	109.6 Å²	109.6	50%	0.496	60%	0.601	S	S	.	*	H	α-helix	trans	-73.6	-27.5	176.1	0	0	0	0	0	112.6	T132 R139	T132-A135 PolarHBondContact O-N 2.82Å; T132-A135 VanDerWaalsContact O-N 3.16Å; A135-R139 WeakPolarHBondContact O-CB 3.35Å
136	M	39.4	Very low	44.3	Very low	61 Å²	61	105.7 Å²	105.7	30%	0.3	59%	0.586	S	S	.	*	H	α-helix	trans	-72.4	-42.6	173.2	-74	178.2	56.2	0	0	111.8	P131 T132 E134 R139 T140 V197	P131-M136 HydrophobicContact CB-CG 4.47Å; P131-M136 HydrophobicContact CB-SD 4.28Å; P131-M136 HydrophobicContact CG-CG 4.48Å; P131-M136 HydrophobicContact CG-SD 3.74Å; T132-M136 PolarHBondContact O-N 3.42Å; E134-M136 VanDerWaalsContact C-N 3.34Å; M136-R139 PolarHBondContact O-N 2.91Å; M136-T140 PolarHBondContact O-N 3.22Å; M136-T140 PolarHBondContact O-OG1 3.49Å; M136-V197 HydrophobicContact CE-CB 3.78Å; M136-V197 HydrophobicContact CE-CG1 4.25Å; M136-V197 HydrophobicContact CE-CG2 3.23Å
137	W	35.9	Very low	46.4	Very low	176 Å²	176	100.9 Å²	100.9	67%	0.667	56%	0.56	S	S	*	*	H	α-helix	trans	-65	-46.4	-177.2	-145	93.4	0	0	0	112.4	T133 E134 R139 T140 E141	T133-W137 PolarHBondContact O-N 3.28Å; T133-W137 VanDerWaalsContact O-N 3.11Å; E134-W137 PolarHBondContact O-N 3.33Å; W137-R139 PolarHBondContact O-N 2.65Å; W137-T140 PolarHBondContact O-N 3.3Å; W137-E141 HydrophobicContact CZ3-CB 4.48Å; W137-E141 HydrophobicContact CZ3-CG 4.49Å; W137-E141 WeakPolarHBondContact CZ3-OE2 3.23Å; W137-E141 PolarHBondContact O-N 3.13Å
138	V	41.4	Very low	48.4	Very low	95 Å²	95	98.9 Å²	98.9	58%	0.576	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-32.4	176.4	175.7	0	0	0	0	111.9	E134 K142	E134-V138 WeakPolarHBondContact O-CG2 3.3Å; E134-V138 PolarHBondContact O-N 3.21Å; V138-K142 PolarHBondContact O-N 2.97Å
139	R	51.1	Low	50.5	Low	153 Å²	153	98.8 Å²	98.8	58%	0.577	52%	0.519	S	S	*	.	H	α-helix	trans	-72.4	-42.8	176.6	-176.3	-179.9	-69.8	-163.9	-3.3	111.7	A135 M136 W137 I143	A135-R139 WeakPolarHBondContact O-CB 3.35Å; M136-R139 PolarHBondContact O-N 2.91Å; W137-R139 PolarHBondContact O-N 2.65Å; R139-I143 HydrophobicContact CG-CD1 4.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 3.34Å
140	T	50.9	Low	52.9	Low	28 Å²	28	100.3 Å²	100.3	17%	0.172	50%	0.503	C	S	.	.	H	α-helix	trans	-65.5	-42.3	178.4	-64.1	0	0	0	0	111.7	M136 W137 K142 I143 I144 Y195 F196	M136-T140 PolarHBondContact O-N 3.22Å; M136-T140 PolarHBondContact O-OG1 3.49Å; W137-T140 PolarHBondContact O-N 3.3Å; T140-K142 VanDerWaalsContact C-N 3.34Å; T140-K142 PolarHBondContact O-N 3.25Å; T140-I143 PolarHBondContact O-N 2.99Å; T140-I144 HydrophobicContact CG2-CD1 3.86Å; T140-I144 HydrophobicContact CG2-CG1 4.46Å; T140-I144 WeakPolarHBondContact O-CG1 3.27Å; T140-I144 PolarHBondContact O-N 3.11Å; T140-Y195 HydrophobicContact CG2-CD2 4.01Å; T140-Y195 PolarHBondContact OG1-O 3.09Å; T140-F196 HydrophobicContact CG2-CD1 4.12Å; T140-F196 HydrophobicContact CG2-CE1 3.77Å; T140-F196 HydrophobicContact CG2-CZ 4.36Å
141	E	52.3	Low	55.3	Low	102 Å²	102	91.9 Å²	91.9	48%	0.477	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-41.3	178.7	-168	175.4	-162.2	0	0	112.2	W137 I143 I144 L145	W137-E141 HydrophobicContact CZ3-CB 4.48Å; W137-E141 HydrophobicContact CZ3-CG 4.49Å; W137-E141 WeakPolarHBondContact CZ3-OE2 3.23Å; W137-E141 PolarHBondContact O-N 3.13Å; E141-I143 VanDerWaalsContact C-N 3.34Å; E141-I143 PolarHBondContact O-N 2.97Å; E141-I144 PolarHBondContact O-N 3.06Å; E141-L145 PolarHBondContact O-N 3.29Å; E141-L145 VanDerWaalsContact O-N 3.09Å
142	K	61.4	Low	57.5	Low	162 Å²	162	90.5 Å²	90.5	70%	0.704	45%	0.451	S	S	*	.	H	α-helix	trans	-63.5	-37.4	176.7	-166.1	177.6	-178.4	-178.9	0	112.9	V138 T140 E146	V138-K142 PolarHBondContact O-N 2.97Å; T140-K142 VanDerWaalsContact C-N 3.34Å; T140-K142 PolarHBondContact O-N 3.25Å; K142-E146 PolarHBondContact O-N 3.05Å; K142-E146 VanDerWaalsContact O-N 3.16Å
143	I	64.2	Low	59.6	Low	55 Å²	55	91.5 Å²	91.5	28%	0.282	45%	0.448	S	S	.	.	H	α-helix	trans	-70.7	-40.8	178.8	-67	166.8	0	0	0	110.9	R139 T140 E141 L145 E146 N147 Y195	R139-I143 HydrophobicContact CG-CD1 4.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 3.34Å; T140-I143 PolarHBondContact O-N 2.99Å; E141-I143 VanDerWaalsContact C-N 3.34Å; E141-I143 PolarHBondContact O-N 2.97Å; I143-L145 VanDerWaalsContact C-N 3.35Å; I143-E146 PolarHBondContact O-N 3.35Å; I143-N147 WeakPolarHBondContact O-CB 3.3Å; I143-N147 PolarHBondContact O-N 2.89Å; I143-N147 PolarHBondContact O-ND2 3.22Å; I143-Y195 HydrophobicContact CG2-CD1 3.77Å; I143-Y195 HydrophobicContact CG2-CD2 4.47Å; I143-Y195 HydrophobicContact CG2-CE1 4.33Å; I143-Y195 HydrophobicContact CG2-CG 3.84Å
144	I	57	Low	61.6	Low	34 Å²	34	89.9 Å²	89.9	17%	0.174	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-46.6	176.7	-68.4	168.4	0	0	0	110.1	T140 E141 E146 N147 E148 W173 Y195 F196	T140-I144 HydrophobicContact CG2-CD1 3.86Å; T140-I144 HydrophobicContact CG2-CG1 4.46Å; T140-I144 WeakPolarHBondContact O-CG1 3.27Å; T140-I144 PolarHBondContact O-N 3.11Å; E141-I144 PolarHBondContact O-N 3.06Å; I144-E146 VanDerWaalsContact C-N 3.33Å; I144-E146 PolarHBondContact O-N 2.86Å; I144-N147 PolarHBondContact O-N 2.92Å; I144-E148 WeakPolarHBondContact O-CB 3.45Å; I144-E148 PolarHBondContact O-N 3.44Å; I144-W173 HydrophobicContact CG2-CZ2 4.28Å; I144-Y195 HydrophobicContact CD1-CE2 4.15Å; I144-Y195 HydrophobicContact CG1-CD2 4.34Å; I144-Y195 HydrophobicContact CG1-CE2 3.61Å; I144-F196 HydrophobicContact CD1-CZ 3.98Å
145	L	62.2	Low	63.6	Low	98 Å²	98	86.2 Å²	86.2	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-36.2	-179.5	-142.4	113.2	0	0	0	112.5	E141 I143 N149	E141-L145 PolarHBondContact O-N 3.29Å; E141-L145 VanDerWaalsContact O-N 3.09Å; I143-L145 VanDerWaalsContact C-N 3.35Å; L145-N149 PolarHBondContact O-N 3.13Å; L145-N149 PolarHBondContact O-ND2 3.46Å
146	E	77.5	Confident	65.3	Low	100 Å²	100	91.4 Å²	91.4	47%	0.467	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-42.1	175.1	-168.1	-176.9	151.1	0	0	111.9	K142 I143 I144 N149 K150	K142-E146 PolarHBondContact O-N 3.05Å; K142-E146 VanDerWaalsContact O-N 3.16Å; I143-E146 PolarHBondContact O-N 3.35Å; I144-E146 VanDerWaalsContact C-N 3.33Å; I144-E146 PolarHBondContact O-N 2.86Å; E146-N149 PolarHBondContact O-N 3Å; E146-K150 WeakPolarHBondContact O-CG 3.22Å; E146-K150 PolarHBondContact O-N 3.34Å; E146-K150 VanDerWaalsContact O-N 3.13Å; E146-K150 WeakPolarHBondContact OE1-CE 3.3Å; E146-K150 IonicContact OE1-NZ 2.86Å; E146-K150 PolarHBondContact OE1-NZ 3.38Å
147	N	72.4	Confident	66.6	Low	49 Å²	49	94.7 Å²	94.7	26%	0.262	45%	0.445	S	S	.	.	H	α-helix	trans	-70.3	-35.9	179.4	-73.3	-18.2	0	0	0	112.7	I143 I144 K150 C151 W173	I143-N147 WeakPolarHBondContact O-CB 3.3Å; I143-N147 PolarHBondContact O-N 2.89Å; I143-N147 PolarHBondContact O-ND2 3.22Å; I144-N147 PolarHBondContact O-N 2.92Å; N147-K150 PolarHBondContact O-N 3.2Å; N147-C151 WeakPolarHBondContact O-CB 3.17Å; N147-C151 PolarHBondContact O-N 2.86Å; N147-W173 HydrophobicContact CB-CH2 3.82Å; N147-W173 HydrophobicContact CB-CZ3 4.33Å
148	E	75.9	Confident	67.8	Low	71 Å²	71	88 Å²	88	33%	0.332	43%	0.427	S	S	.	.	H	α-helix	trans	-60.1	-48.3	172.9	-180	172.1	-160	0	0	111	I144 K150 C151 L152 W173	I144-E148 WeakPolarHBondContact O-CB 3.45Å; I144-E148 PolarHBondContact O-N 3.44Å; E148-K150 PolarHBondContact O-N 2.96Å; E148-C151 WeakPolarHBondContact O-CB 3.37Å; E148-C151 PolarHBondContact O-N 3.34Å; E148-C151 VanDerWaalsContact O-N 3.13Å; E148-L152 HydrophobicContact CG-CD1 4.01Å; E148-L152 HydrophobicContact CG-CG 4.45Å; E148-L152 WeakPolarHBondContact O-CG 3.32Å; E148-L152 PolarHBondContact O-N 3.43Å; E148-W173 HydrophobicContact CB-CD2 4.43Å; E148-W173 HydrophobicContact CB-CZ2 3.98Å; E148-W173 HydrophobicContact CG-CG 4.4Å
149	N	78	Confident	68.6	Low	88 Å²	88	88.5 Å²	88.5	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-43.3	177.9	-75.9	-43.9	0	0	0	112.1	L145 E146 C151 L152 E153	L145-N149 PolarHBondContact O-N 3.13Å; L145-N149 PolarHBondContact O-ND2 3.46Å; E146-N149 PolarHBondContact O-N 3Å; N149-C151 VanDerWaalsContact C-N 3.33Å; N149-C151 PolarHBondContact O-N 3.22Å; N149-L152 PolarHBondContact O-N 3.23Å; N149-E153 WeakPolarHBondContact O-CG 3.02Å; N149-E153 PolarHBondContact O-N 3.02Å
150	K	82.5	Confident	68.8	Low	111 Å²	111	86.9 Å²	86.9	48%	0.483	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-39.9	174.6	-72.5	174	-174.1	164.6	0	112.2	E146 N147 E148 K154	E146-K150 WeakPolarHBondContact O-CG 3.22Å; E146-K150 PolarHBondContact O-N 3.34Å; E146-K150 VanDerWaalsContact O-N 3.13Å; E146-K150 WeakPolarHBondContact OE1-CE 3.3Å; E146-K150 IonicContact OE1-NZ 2.86Å; E146-K150 PolarHBondContact OE1-NZ 3.38Å; N147-K150 PolarHBondContact O-N 3.2Å; E148-K150 PolarHBondContact O-N 2.96Å; K150-K154 WeakPolarHBondContact O-CB 3.32Å; K150-K154 PolarHBondContact O-N 3.08Å
151	C	80.6	Confident	68.8	Low	4 Å²	4	93.6 Å²	93.6	3%	0.027	47%	0.465	C	S	.	.	H	α-helix	trans	-65.7	-45.9	176.8	-171.3	0	0	0	0	111.7	N147 E148 N149 E153 K154 M155 W173 C178	N147-C151 WeakPolarHBondContact O-CB 3.17Å; N147-C151 PolarHBondContact O-N 2.86Å; E148-C151 WeakPolarHBondContact O-CB 3.37Å; E148-C151 PolarHBondContact O-N 3.34Å; E148-C151 VanDerWaalsContact O-N 3.13Å; N149-C151 VanDerWaalsContact C-N 3.33Å; N149-C151 PolarHBondContact O-N 3.22Å; C151-E153 VanDerWaalsContact C-N 3.32Å; C151-E153 PolarHBondContact O-N 2.93Å; C151-K154 WeakPolarHBondContact O-CB 3.44Å; C151-K154 PolarHBondContact O-N 2.86Å; C151-K154 VanDerWaalsContact O-N 3.13Å; C151-M155 WeakPolarHBondContact O-CG 3.3Å; C151-M155 PolarHBondContact O-N 3.47Å; C151-W173 HydrophobicContact CB-CD2 4.47Å; C151-W173 HydrophobicContact CB-CE3 3.79Å; C151-W173 HydrophobicContact CB-CZ3 4.36Å; C151-C178 VanDerWaalsContact CA-SG 3.53Å; C151-C178 HydrophobicContact CB-CB 3.6Å; C151-C178 WeakPolarHBondContact CB-SG 3.43Å; C151-C178 WeakPolarHBondContact SG-CB 3.41Å; C151-C178 CovalentContact SG-SG 2.03Å; C151-C178 PolarHBondContact SG-SG 2.96Å
152	L	78.4	Confident	68.7	Low	69 Å²	69	95 Å²	95	36%	0.361	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-37.4	178.2	-69.7	172.3	0	0	0	112	E148 N149 M155 K156	E148-L152 HydrophobicContact CG-CD1 4.01Å; E148-L152 HydrophobicContact CG-CG 4.45Å; E148-L152 WeakPolarHBondContact O-CG 3.32Å; E148-L152 PolarHBondContact O-N 3.43Å; N149-L152 PolarHBondContact O-N 3.23Å; L152-M155 PolarHBondContact O-N 3.37Å; L152-K156 WeakPolarHBondContact O-CG 3.26Å; L152-K156 PolarHBondContact O-N 3.34Å; L152-K156 VanDerWaalsContact O-N 3.09Å
153	E	81.9	Confident	68.1	Low	120 Å²	120	95.2 Å²	95.2	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-66.2	-41.8	171.6	-74.2	-167.7	163	0	0	112.2	N149 C151 M155 K156 N157	N149-E153 WeakPolarHBondContact O-CG 3.02Å; N149-E153 PolarHBondContact O-N 3.02Å; C151-E153 VanDerWaalsContact C-N 3.32Å; C151-E153 PolarHBondContact O-N 2.93Å; E153-M155 PolarHBondContact O-N 3.41Å; E153-K156 PolarHBondContact O-N 3.42Å; E153-K156 VanDerWaalsContact O-N 3.1Å; E153-N157 WeakPolarHBondContact O-CB 3.48Å; E153-N157 PolarHBondContact O-N 2.81Å; E153-N157 PolarHBondContact O-ND2 3.21Å
154	K	78.9	Confident	67.3	Low	90 Å²	90	98.2 Å²	98.2	39%	0.391	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-34.3	174.7	-165.5	-174.9	-175.5	-165.2	0	111.9	K150 C151 A158 D180	K150-K154 WeakPolarHBondContact O-CB 3.32Å; K150-K154 PolarHBondContact O-N 3.08Å; C151-K154 WeakPolarHBondContact O-CB 3.44Å; C151-K154 PolarHBondContact O-N 2.86Å; C151-K154 VanDerWaalsContact O-N 3.13Å; K154-A158 WeakPolarHBondContact O-CB 3.41Å; K154-D180 WeakPolarHBondContact CE-OD1 3.42Å; K154-D180 VanDerWaalsContact NZ-CG 3.27Å; K154-D180 IonicContact NZ-OD1 2.58Å; K154-D180 PolarHBondContact NZ-OD1 2.89Å; K154-D180 IonicContact NZ-OD2 2.6Å; K154-D180 PolarHBondContact NZ-OD2 2.82Å
155	M	74.8	Confident	67.2	Low	85 Å²	85	102 Å²	102	42%	0.419	54%	0.539	S	S	.	.	H	α-helix	trans	-72.3	-31	174.7	-69.7	176.9	69.2	0	0	112.9	C151 L152 E153 R171	C151-M155 WeakPolarHBondContact O-CG 3.3Å; C151-M155 PolarHBondContact O-N 3.47Å; L152-M155 PolarHBondContact O-N 3.37Å; E153-M155 PolarHBondContact O-N 3.41Å; M155-R171 WeakPolarHBondContact CE-O 3.43Å; M155-R171 HydrophobicContact CG-CB 4.29Å
156	K	74.3	Confident	67.3	Low	168 Å²	168	100.2 Å²	100.2	73%	0.73	54%	0.544	S	S	*	.	H	α-helix	trans	-82.7	-37.1	179.5	-74	174.1	-177	176.1	0	113.7	L152 E153	L152-K156 WeakPolarHBondContact O-CG 3.26Å; L152-K156 PolarHBondContact O-N 3.34Å; L152-K156 VanDerWaalsContact O-N 3.09Å; E153-K156 PolarHBondContact O-N 3.42Å; E153-K156 VanDerWaalsContact O-N 3.1Å
157	N	67.8	Low	67.3	Low	131 Å²	131	100.4 Å²	100.4	70%	0.701	55%	0.548	S	S	*	.	H	α-helix	trans	-95.7	-12.1	-167	-66.7	-21.8	0	0	0	114.4	E153	E153-N157 WeakPolarHBondContact O-CB 3.48Å; E153-N157 PolarHBondContact O-N 2.81Å; E153-N157 PolarHBondContact O-ND2 3.21Å
158	A	60	Low	67.5	Low	35 Å²	35	102.4 Å²	102.4	29%	0.289	56%	0.555	S	S	.	*	S	Bend	trans	-94.1	135.4	-178	0	0	0	0	0	111.8	K154	K154-A158 WeakPolarHBondContact O-CB 3.41Å
159	P	58.7	Low	67.8	Low	106 Å²	106	99 Å²	99	69%	0.688	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-64.7	145.1	172.7	26.3	-31.7	0	0	0	110.5	Y161	P159-Y161 PolarHBondContact O-N 3.14Å
160	P	54.8	Low	67.9	Low	118 Å²	118	96.7 Å²	96.7	77%	0.766	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.3	134.2	173.2	24.7	-31.6	0	0	0	109.1	N162	P160-N162 PolarHBondContact O-N 3.13Å; P160-N162 VanDerWaalsContact O-N 3.09Å
161	Y	51.5	Low	67.9	Low	170 Å²	170	94.1 Å²	94.1	67%	0.667	52%	0.523	S	S	*	.			trans	-53.8	113.9	-178.6	-174	-94.2	0	0	0	111	P159	P159-Y161 PolarHBondContact O-N 3.14Å
162	N	50.2	Low	67.8	Low	131 Å²	131	95 Å²	95	70%	0.701	53%	0.528	S	S	*	.			trans	-112.6	134.1	167.2	-107.5	-20.8	0	0	0	105.2	P160	P160-N162 PolarHBondContact O-N 3.13Å; P160-N162 VanDerWaalsContact O-N 3.09Å
163	K	48.5	Very low	67.8	Low	166 Å²	166	93.9 Å²	93.9	72%	0.722	52%	0.519	S	S	*	.			cis	-167.3	130.8	14.8	-114.1	166.3	-175.4	177.8	0	105.5
164	S	48.5	Very low	67	Low	118 Å²	118	90.4 Å²	90.4	83%	0.825	50%	0.504	S	S	*	.	S	Bend		166.6	104.7	127.3	36	0	0	0	0	111.8
165	A	54.8	Low	66.1	Low	113 Å²	113	87.5 Å²	87.5	93%	0.934	50%	0.5	S	S	*	.	S	Bend	trans	58.8	75.1	159.6	0	0	0	0	0	119
166	G	62.7	Low	65.7	Low	61 Å²	61	88.3 Å²	88.3	63%	0.629	50%	0.498	S	S	*	.			trans	-178	141.6	160.3	0	0	0	0	0	113.8
167	L	77.4	Confident	65.6	Low	104 Å²	104	81.3 Å²	81.3	55%	0.545	47%	0.469	S	S	.	.			trans	-58.1	143.1	160.4	-110.8	64.9	0	0	0	108	A184 A211 D212	L167-A184 HydrophobicContact CB-CB 3.63Å; L167-A184 WeakPolarHBondContact O-CB 3.5Å; L167-A184 PolarHBondContact O-N 3.19Å; L167-A211 WeakPolarHBondContact CD2-O 3.43Å; L167-D212 VanDerWaalsContact CD2-O 3.23Å; L167-D212 WeakPolarHBondContact CD2-O 3.48Å
168	H	77.8	Confident	66.2	Low	91 Å²	91	76.3 Å²	76.3	42%	0.421	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.7	179.4	59	-84.7	0	0	0	110.3	T182	H168-T182 CarbonylContact C-O 3.6Å; H168-T182 VanDerWaalsContact CA-O 3.26Å; H168-T182 WeakPolarHBondContact CA-O 3.37Å; H168-T182 WeakPolarHBondContact CB-O 3.26Å
169	C	82.6	Confident	67.3	Low	1 Å²	1	74.7 Å²	74.7	1%	0.007	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.6	172.3	-61	0	0	0	0	109.5	D181 T182 C209 G213 E214 W215	C169-D181 WeakPolarHBondContact O-CA 3.35Å; C169-T182 PolarHBondContact N-O 3.36Å; C169-T182 PolarHBondContact O-N 3Å; C169-T182 VanDerWaalsContact O-N 3.08Å; C169-C209 HydrophobicContact CB-CB 3.87Å; C169-C209 WeakPolarHBondContact CB-SG 3.36Å; C169-C209 PolarHBondContact N-SG 3.3Å; C169-C209 WeakPolarHBondContact SG-CA 3.31Å; C169-C209 WeakPolarHBondContact SG-CB 3.37Å; C169-C209 CovalentContact SG-SG 2.02Å; C169-C209 PolarHBondContact SG-SG 3.26Å; C169-G213 WeakPolarHBondContact CA-O 3.38Å; C169-G213 PolarHBondContact SG-O 3.22Å; C169-G213 VanDerWaalsContact SG-O 3.37Å; C169-E214 PolarHBondContact SG-O 3.31Å; C169-E214 VanDerWaalsContact SG-O 3.36Å; C169-W215 HydrophobicContact CB-CD2 3.65Å; C169-W215 HydrophobicContact CB-CE3 4.19Å; C169-W215 HydrophobicContact CB-CG 4.01Å; C169-W215 HydrophobicContact CB-CH2 4.29Å; C169-W215 HydrophobicContact CB-CZ2 3.74Å; C169-W215 HydrophobicContact CB-CZ3 4.49Å
170	G	78.4	Confident	68.6	Low	38 Å²	38	72.9 Å²	72.9	39%	0.392	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-71.5	154.7	-179.7	0	0	0	0	0	113.4	D181 W215	G170-D181 WeakPolarHBondContact CA-OD1 3.45Å; G170-W215 PolarHBondContact O-NE1 3.43Å
171	R	84.1	Confident	69.9	Low	57 Å²	57	69.5 Å²	69.5	22%	0.215	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-52.1	141.5	177.3	-48.6	-164.8	-162.3	149.4	13.3	112.9	M155 W179 D181	M155-R171 WeakPolarHBondContact CE-O 3.43Å; M155-R171 HydrophobicContact CG-CB 4.29Å; R171-W179 WeakPolarHBondContact CA-O 3.46Å; R171-W179 WeakPolarHBondContact CB-O 3Å; R171-D181 HydrophobicContact CG-CB 4.5Å; R171-D181 WeakPolarHBondContact CG-OD1 3.49Å; R171-D181 IonicContact CZ-OD2 3.27Å; R171-D181 VanDerWaalsContact CZ-OD2 3.27Å; R171-D181 PolarHBondContact N-OD1 2.86Å; R171-D181 IonicContact NE-OD1 2.99Å; R171-D181 IonicContact NE-OD2 3.11Å; R171-D181 PolarHBondContact NE-OD2 3.11Å; R171-D181 IonicContact NH2-OD2 2.89Å; R171-D181 PolarHBondContact NH2-OD2 3.04Å
172	N	78.6	Confident	71.4	Confident	22 Å²	22	62 Å²	62	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	153.6	174	60.4	12.6	0	0	0	113.4	W179 K207 W215	N172-W179 PolarHBondContact N-O 2.83Å; N172-W179 VanDerWaalsContact N-O 3.16Å; N172-W179 PolarHBondContact O-N 3Å; N172-W179 WeakPolarHBondContact OD1-CB 3.16Å; N172-K207 PolarHBondContact ND2-NZ 2.73Å; N172-K207 PolarHBondContact OD1-NZ 3.3Å; N172-W215 PolarHBondContact ND2-NE1 3.48Å; N172-W215 VanDerWaalsContact ND2-NE1 3.16Å
173	W	76.4	Confident	73	Confident	47 Å²	47	59.9 Å²	59.9	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.5	165.1	-177.5	-116.7	0	0	0	109	I144 N147 E148 C151 G175 W176 L177 C178	I144-W173 HydrophobicContact CG2-CZ2 4.28Å; N147-W173 HydrophobicContact CB-CH2 3.82Å; N147-W173 HydrophobicContact CB-CZ3 4.33Å; E148-W173 HydrophobicContact CB-CD2 4.43Å; E148-W173 HydrophobicContact CB-CZ2 3.98Å; E148-W173 HydrophobicContact CG-CG 4.4Å; C151-W173 HydrophobicContact CB-CD2 4.47Å; C151-W173 HydrophobicContact CB-CE3 3.79Å; C151-W173 HydrophobicContact CB-CZ3 4.36Å; W173-G175 VanDerWaalsContact CZ2-C 3.47Å; W173-G175 VanDerWaalsContact CZ2-O 3.24Å; W173-G175 WeakPolarHBondContact CZ2-O 3.26Å; W173-W176 VanDerWaalsContact CH2-O 3.23Å; W173-W176 WeakPolarHBondContact CH2-O 3.38Å; W173-L177 VanDerWaalsContact CE3-O 3.25Å; W173-C178 HydrophobicContact CE3-CB 3.89Å; W173-C178 HydrophobicContact CZ3-CB 4.07Å
174	D	67	Low	74.6	Confident	47 Å²	47	53.5 Å²	53.5	25%	0.251	33%	0.334	S	S	.	.			trans	-104	6.5	178.8	76.6	-8	0	0	0	114.1	W176 L177 W179 T226 Y228	D174-W176 PolarHBondContact OD1-N 3.26Å; D174-L177 PolarHBondContact N-O 3.32Å; D174-L177 PolarHBondContact OD1-N 3.3Å; D174-L177 VanDerWaalsContact OD1-O 3.07Å; D174-W179 VanDerWaalsContact CG-NE1 3.3Å; D174-W179 PolarHBondContact OD2-NE1 3.18Å; D174-T226 WeakPolarHBondContact OD2-CB 3.18Å; D174-T226 WeakPolarHBondContact OD2-CG2 3.5Å; D174-T226 PolarHBondContact OD2-OG1 3.34Å; D174-Y228 VanDerWaalsContact CG-OH 3.29Å; D174-Y228 PolarHBondContact OD1-OH 3Å; D174-Y228 PolarHBondContact OD2-OH 3.31Å
175	G	59.5	Low	76.1	Confident	29 Å²	29	49.9 Å²	49.9	30%	0.299	32%	0.315	S	S	.	.	S	Bend	trans	106.7	-28.2	-176.4	0	0	0	0	0	113.2	W173	W173-G175 VanDerWaalsContact CZ2-C 3.47Å; W173-G175 VanDerWaalsContact CZ2-O 3.24Å; W173-G175 WeakPolarHBondContact CZ2-O 3.26Å
176	W	65.5	Low	77.5	Confident	101 Å²	101	46.3 Å²	46.3	38%	0.383	28%	0.283	S	S	.	.	S	Bend	trans	-129.5	-35	-177.2	-59	-22.7	0	0	0	113.3	W173 D174 P193 Y195 F196 F199 Y228	W173-W176 VanDerWaalsContact CH2-O 3.23Å; W173-W176 WeakPolarHBondContact CH2-O 3.38Å; D174-W176 PolarHBondContact OD1-N 3.26Å; W176-P193 HydrophobicContact CB-CG 4.5Å; W176-Y195 PolarHBondContact O-OH 3.04Å; W176-F196 HydrophobicContact CB-CE2 4.45Å; W176-F196 AromaticContact CD1-CZ 3.96Å; W176-F196 HydrophobicContact CD2-CE2 4.08Å; W176-F196 HydrophobicContact CD2-CZ 4.23Å; W176-F196 HydrophobicContact CG-CE2 4.03Å; W176-F196 HydrophobicContact CG-CZ 4.23Å; W176-F196 AromaticContact NE1-CZ 3.92Å; W176-F199 HydrophobicContact CE3-CE2 4.26Å; W176-F199 HydrophobicContact CE3-CZ 4.23Å; W176-F199 HydrophobicContact CH2-CZ 4.38Å; W176-F199 HydrophobicContact CZ3-CE2 4.21Å; W176-F199 AromaticContact CZ3-CZ 3.73Å; W176-F199 HydrophobicContact CZ3-CZ 3.73Å; W176-Y228 HydrophobicContact CE3-CD1 4.26Å; W176-Y228 AromaticContact CE3-CD2 3.97Å; W176-Y228 HydrophobicContact CE3-CD2 3.97Å; W176-Y228 HydrophobicContact CE3-CE1 4.17Å; W176-Y228 AromaticContact CE3-CE2 3.85Å; W176-Y228 HydrophobicContact CE3-CE2 3.85Å; W176-Y228 HydrophobicContact CE3-CG 4.17Å; W176-Y228 AromaticContact CE3-CZ 3.98Å; W176-Y228 AromaticContact CZ3-CD2 4Å; W176-Y228 HydrophobicContact CZ3-CD2 4Å; W176-Y228 HydrophobicContact CZ3-CE2 4.33Å; W176-Y228 HydrophobicContact CZ3-CG 4.1Å
177	L	72.8	Confident	78.3	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.11	28%	0.282	C	S	.	.			trans	-127.3	150.3	179	-66.5	178.8	0	0	0	111.7	W173 D174 W179 Q190 P193 A205 Y228	W173-L177 VanDerWaalsContact CE3-O 3.25Å; D174-L177 PolarHBondContact N-O 3.32Å; D174-L177 PolarHBondContact OD1-N 3.3Å; D174-L177 VanDerWaalsContact OD1-O 3.07Å; L177-W179 HydrophobicContact CD1-CZ2 4.24Å; L177-Q190 HydrophobicContact CD1-CB 4.12Å; L177-P193 HydrophobicContact CD2-CB 4.21Å; L177-P193 HydrophobicContact CD2-CG 4.18Å; L177-P193 HydrophobicContact CG-CG 4.31Å; L177-A205 HydrophobicContact CD1-CB 4.12Å; L177-Y228 HydrophobicContact CD1-CE1 3.76Å; L177-Y228 WeakPolarHBondContact CD1-OH 3.34Å; L177-Y228 HydrophobicContact CG-CE1 4.26Å; L177-Y228 WeakPolarHBondContact CG-OH 3.42Å
178	C	81.1	Confident	78.5	Confident	26 Å²	26	46.5 Å²	46.5	18%	0.176	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	174.2	-168.1	0	0	0	0	109	C151 W173 Q190	C151-C178 VanDerWaalsContact CA-SG 3.53Å; C151-C178 HydrophobicContact CB-CB 3.6Å; C151-C178 WeakPolarHBondContact CB-SG 3.43Å; C151-C178 WeakPolarHBondContact SG-CB 3.41Å; C151-C178 CovalentContact SG-SG 2.03Å; C151-C178 PolarHBondContact SG-SG 2.96Å; W173-C178 HydrophobicContact CE3-CB 3.89Å; W173-C178 HydrophobicContact CZ3-CB 4.07Å; C178-Q190 PolarHBondContact O-NE2 2.9Å; C178-Q190 PolarHBondContact O-OE1 2.95Å
179	W	82.9	Confident	78.7	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.4	-177.9	-65.9	87.5	0	0	0	111.5	R171 N172 D174 L177 A188 Q190 A205 K207 W215 T226	R171-W179 WeakPolarHBondContact CA-O 3.46Å; R171-W179 WeakPolarHBondContact CB-O 3Å; N172-W179 PolarHBondContact N-O 2.83Å; N172-W179 VanDerWaalsContact N-O 3.16Å; N172-W179 PolarHBondContact O-N 3Å; N172-W179 WeakPolarHBondContact OD1-CB 3.16Å; D174-W179 VanDerWaalsContact CG-NE1 3.3Å; D174-W179 PolarHBondContact OD2-NE1 3.18Å; L177-W179 HydrophobicContact CD1-CZ2 4.24Å; W179-A188 HydrophobicContact CE3-CB 3.56Å; W179-A188 HydrophobicContact CZ3-CB 3.53Å; W179-A188 WeakPolarHBondContact CZ3-O 3.42Å; W179-Q190 HydrophobicContact CE3-CG 4.29Å; W179-Q190 VanDerWaalsContact CE3-NE2 3.29Å; W179-Q190 HydrophobicContact CH2-CB 4.12Å; W179-Q190 HydrophobicContact CH2-CG 4.26Å; W179-Q190 HydrophobicContact CZ3-CB 4.26Å; W179-Q190 HydrophobicContact CZ3-CG 3.91Å; W179-A205 HydrophobicContact CH2-CB 4.43Å; W179-A205 HydrophobicContact CZ2-CB 4.39Å; W179-K207 HydrophobicContact CD2-CB 4.12Å; W179-K207 HydrophobicContact CD2-CD 3.64Å; W179-K207 HydrophobicContact CE3-CB 3.96Å; W179-K207 HydrophobicContact CE3-CD 4.21Å; W179-K207 HydrophobicContact CG-CD 3.76Å; W179-K207 HydrophobicContact CH2-CB 3.88Å; W179-K207 HydrophobicContact CZ2-CB 4.05Å; W179-K207 HydrophobicContact CZ2-CD 4.42Å; W179-K207 HydrophobicContact CZ3-CB 3.84Å; W179-W215 HydrophobicContact CB-CZ2 4.31Å; W179-T226 HydrophobicContact CH2-CG2 4.27Å; W179-T226 HydrophobicContact CZ2-CG2 3.41Å; W179-T226 VanDerWaalsContact CZ2-CG2 3.41Å
180	D	84.4	Confident	78.5	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.364	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-87.9	170.6	176.7	-74.9	-38.4	0	0	0	112.5	K154 T182	K154-D180 WeakPolarHBondContact CE-OD1 3.42Å; K154-D180 VanDerWaalsContact NZ-CG 3.27Å; K154-D180 IonicContact NZ-OD1 2.58Å; K154-D180 PolarHBondContact NZ-OD1 2.89Å; K154-D180 IonicContact NZ-OD2 2.6Å; K154-D180 PolarHBondContact NZ-OD2 2.82Å; D180-T182 PolarHBondContact O-N 3.28Å; D180-T182 PolarHBondContact O-OG1 3.32Å; D180-T182 VanDerWaalsContact O-OG1 3.07Å
181	D	83.5	Confident	78.6	Confident	48 Å²	48	50.3 Å²	50.3	26%	0.257	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-63.3	127.5	-177.1	-60.9	-53.2	0	0	0	110	C169 G170 R171	C169-D181 WeakPolarHBondContact O-CA 3.35Å; G170-D181 WeakPolarHBondContact CA-OD1 3.45Å; R171-D181 HydrophobicContact CG-CB 4.5Å; R171-D181 WeakPolarHBondContact CG-OD1 3.49Å; R171-D181 IonicContact CZ-OD2 3.27Å; R171-D181 VanDerWaalsContact CZ-OD2 3.27Å; R171-D181 PolarHBondContact N-OD1 2.86Å; R171-D181 IonicContact NE-OD1 2.99Å; R171-D181 IonicContact NE-OD2 3.11Å; R171-D181 PolarHBondContact NE-OD2 3.11Å; R171-D181 IonicContact NH2-OD2 2.89Å; R171-D181 PolarHBondContact NH2-OD2 3.04Å
182	T	82.6	Confident	78	Confident	11 Å²	11	47.9 Å²	47.9	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.2	-171.5	-59	0	0	0	0	111	H168 C169 D180 S186 A188 C209 W215	H168-T182 CarbonylContact C-O 3.6Å; H168-T182 VanDerWaalsContact CA-O 3.26Å; H168-T182 WeakPolarHBondContact CA-O 3.37Å; H168-T182 WeakPolarHBondContact CB-O 3.26Å; C169-T182 PolarHBondContact N-O 3.36Å; C169-T182 PolarHBondContact O-N 3Å; C169-T182 VanDerWaalsContact O-N 3.08Å; D180-T182 PolarHBondContact O-N 3.28Å; D180-T182 PolarHBondContact O-OG1 3.32Å; D180-T182 VanDerWaalsContact O-OG1 3.07Å; T182-S186 WeakPolarHBondContact CG2-OG 3.33Å; T182-A188 HydrophobicContact CG2-CB 4.01Å; T182-A188 WeakPolarHBondContact OG1-CB 3.45Å; T182-C209 HydrophobicContact CG2-CB 4Å; T182-C209 PolarHBondContact O-SG 2.93Å; T182-W215 HydrophobicContact CG2-CH2 4.34Å; T182-W215 WeakPolarHBondContact OG1-CH2 3.36Å
183	P	83.4	Confident	77.5	Confident	87 Å²	87	47.1 Å²	47.1	57%	0.565	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	142.8	177.8	-22.8	33	0	0	0	113	S186	P183-S186 WeakPolarHBondContact O-CB 3.24Å; P183-S186 PolarHBondContact O-N 3.37Å; P183-S186 PolarHBondContact O-OG 3.41Å
184	A	82.6	Confident	76.9	Confident	33 Å²	33	49.4 Å²	49.4	27%	0.273	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	137.4	177.2	0	0	0	0	0	112.3	L167 G210	L167-A184 HydrophobicContact CB-CB 3.63Å; L167-A184 WeakPolarHBondContact O-CB 3.5Å; L167-A184 PolarHBondContact O-N 3.19Å; A184-G210 WeakPolarHBondContact CA-O 3.39Å; A184-G210 VanDerWaalsContact CB-O 3.23Å; A184-G210 WeakPolarHBondContact CB-O 3.41Å
185	G	80.7	Confident	76.7	Confident	41 Å²	41	48.3 Å²	48.3	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	10.1	-176.6	0	0	0	0	0	114.8	C209 G210	G185-C209 WeakPolarHBondContact CA-O 3.39Å; G185-C209 PolarHBondContact N-O 3.09Å; G185-G210 PolarHBondContact N-O 3.38Å
186	S	82.9	Confident	76.4	Confident	38 Å²	38	48.8 Å²	48.8	27%	0.266	27%	0.269	S	S	.	.			trans	-120.3	162.5	-179.3	76.4	0	0	0	0	113.5	T182 P183 C209	T182-S186 WeakPolarHBondContact CG2-OG 3.33Å; P183-S186 WeakPolarHBondContact O-CB 3.24Å; P183-S186 PolarHBondContact O-N 3.37Å; P183-S186 PolarHBondContact O-OG 3.41Å; S186-C209 PolarHBondContact O-N 2.88Å
187	Y	80.4	Confident	75.6	Confident	155 Å²	155	49.7 Å²	49.7	61%	0.608	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	175.3	-73.9	-92.9	0	0	0	110.5	K207 Y208	Y187-K207 CarbonylContact C-O 3.59Å; Y187-K207 WeakPolarHBondContact CA-O 3.3Å; Y187-Y208 AromaticContact CD1-CD2 3.94Å; Y187-Y208 HydrophobicContact CD1-CD2 3.94Å; Y187-Y208 HydrophobicContact CD1-CG 4.37Å; Y187-Y208 AromaticContact CD2-CD2 3.74Å; Y187-Y208 HydrophobicContact CD2-CD2 3.74Å; Y187-Y208 HydrophobicContact CD2-CE2 4.22Å; Y187-Y208 AromaticContact CE1-CD2 3.72Å; Y187-Y208 HydrophobicContact CE1-CD2 3.72Å; Y187-Y208 AromaticContact CE1-CG 3.97Å; Y187-Y208 HydrophobicContact CE1-CG 3.97Å; Y187-Y208 AromaticContact CE2-CD2 3.48Å; Y187-Y208 HydrophobicContact CE2-CD2 3.48Å; Y187-Y208 VanDerWaalsContact CE2-CD2 3.48Å; Y187-Y208 AromaticContact CE2-CE2 3.84Å; Y187-Y208 HydrophobicContact CE2-CE2 3.84Å; Y187-Y208 HydrophobicContact CE2-CG 4.44Å; Y187-Y208 AromaticContact CG-CD2 3.96Å; Y187-Y208 HydrophobicContact CG-CD2 3.96Å; Y187-Y208 AromaticContact CZ-CD2 3.46Å; Y187-Y208 VanDerWaalsContact CZ-CD2 3.46Å; Y187-Y208 AromaticContact CZ-CG 3.99Å
188	A	80.9	Confident	74.4	Confident	14 Å²	14	51.5 Å²	51.5	12%	0.116	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.5	162.6	0	0	0	0	0	109.2	W179 T182 K206 K207 W215	W179-A188 HydrophobicContact CE3-CB 3.56Å; W179-A188 HydrophobicContact CZ3-CB 3.53Å; W179-A188 WeakPolarHBondContact CZ3-O 3.42Å; T182-A188 HydrophobicContact CG2-CB 4.01Å; T182-A188 WeakPolarHBondContact OG1-CB 3.45Å; A188-K206 CarbonylContact O-C 3.53Å; A188-K206 WeakPolarHBondContact O-CA 3.41Å; A188-K207 PolarHBondContact N-O 2.88Å; A188-K207 PolarHBondContact O-N 3.49Å; A188-W215 HydrophobicContact CB-CH2 4.08Å; A188-W215 HydrophobicContact CB-CZ3 4.39Å
189	S	82.8	Confident	73.1	Confident	54 Å²	54	51.4 Å²	51.4	38%	0.378	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	175.5	-54.2	0	0	0	0	109.9	A205	S189-A205 WeakPolarHBondContact CA-O 3.44Å
190	Q	78.1	Confident	71.8	Confident	57 Å²	57	54 Å²	54	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150	175.3	-72.6	-169.3	72.4	0	0	109.8	L177 C178 W179 Q204 A205	L177-Q190 HydrophobicContact CD1-CB 4.12Å; C178-Q190 PolarHBondContact O-NE2 2.9Å; C178-Q190 PolarHBondContact O-OE1 2.95Å; W179-Q190 HydrophobicContact CE3-CG 4.29Å; W179-Q190 VanDerWaalsContact CE3-NE2 3.29Å; W179-Q190 HydrophobicContact CH2-CB 4.12Å; W179-Q190 HydrophobicContact CH2-CG 4.26Å; W179-Q190 HydrophobicContact CZ3-CB 4.26Å; W179-Q190 HydrophobicContact CZ3-CG 3.91Å; Q190-Q204 CarbonylContact O-C 3.55Å; Q190-Q204 VanDerWaalsContact O-CA 3.31Å; Q190-Q204 WeakPolarHBondContact O-CA 3.23Å; Q190-A205 PolarHBondContact N-O 3.29Å; Q190-A205 PolarHBondContact O-N 2.92Å
191	N	80.6	Confident	70.6	Confident	100 Å²	100	58.3 Å²	58.3	54%	0.535	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	146.9	176.2	-66.4	-6.5	0	0	0	110.5	Q204	N191-Q204 PolarHBondContact OD1-NE2 3.04Å
192	C	71.5	Confident	69.7	Low	6 Å²	6	61.5 Å²	61.5	4%	0.041	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-63.6	143.5	179.5	-56.3	0	0	0	0	111.5	D194 F199 D200 E203 C231	C192-D194 PolarHBondContact O-N 3.02Å; C192-F199 HydrophobicContact CB-CD2 4.24Å; C192-D200 VanDerWaalsContact CB-O 3.26Å; C192-D200 WeakPolarHBondContact CB-O 3.35Å; C192-E203 PolarHBondContact N-O 3.19Å; C192-E203 PolarHBondContact SG-O 3.43Å; C192-C231 HydrophobicContact CB-CB 3.6Å; C192-C231 WeakPolarHBondContact CB-SG 3.44Å; C192-C231 WeakPolarHBondContact SG-CA 3.43Å; C192-C231 WeakPolarHBondContact SG-CB 3.26Å; C192-C231 CovalentContact SG-SG 2.01Å; C192-C231 PolarHBondContact SG-SG 3.38Å
193	P	67.9	Low	69.2	Low	6 Å²	6	64.5 Å²	64.5	4%	0.039	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-61.2	132.1	-178.9	9.9	-17.4	0	0	0	112.2	W176 L177 Y195 F196 F199	W176-P193 HydrophobicContact CB-CG 4.5Å; L177-P193 HydrophobicContact CD2-CB 4.21Å; L177-P193 HydrophobicContact CD2-CG 4.18Å; L177-P193 HydrophobicContact CG-CG 4.31Å; P193-Y195 VanDerWaalsContact C-N 3.34Å; P193-Y195 HydrophobicContact CB-CD1 3.94Å; P193-Y195 HydrophobicContact CB-CE1 3.37Å; P193-Y195 HydrophobicContact CB-CE2 4.04Å; P193-Y195 HydrophobicContact CB-CG 4.48Å; P193-Y195 VanDerWaalsContact CB-CZ 3.43Å; P193-Y195 PolarHBondContact O-N 2.97Å; P193-F196 HydrophobicContact CB-CD2 4.06Å; P193-F196 HydrophobicContact CB-CE2 4.39Å; P193-F196 HydrophobicContact CG-CD2 3.9Å; P193-F196 HydrophobicContact CG-CE2 4.1Å; P193-F199 HydrophobicContact CG-CD2 3.86Å; P193-F199 HydrophobicContact CG-CE2 3.91Å
194	D	63.8	Low	68.8	Low	95 Å²	95	64.1 Å²	64.1	51%	0.508	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.8	-170.4	69.7	-24.2	0	0	0	114.1	C192 R201	C192-D194 PolarHBondContact O-N 3.02Å; D194-R201 HydrophobicContact CB-CG 4.29Å; D194-R201 PolarHBondContact O-NH2 2.93Å
195	Y	62.8	Low	68.2	Low	24 Å²	24	62.5 Å²	62.5	9%	0.094	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.3	-179.4	56.1	-101.1	0	0	0	113.8	T140 I143 I144 W176 P193	T140-Y195 HydrophobicContact CG2-CD2 4.01Å; T140-Y195 PolarHBondContact OG1-O 3.09Å; I143-Y195 HydrophobicContact CG2-CD1 3.77Å; I143-Y195 HydrophobicContact CG2-CD2 4.47Å; I143-Y195 HydrophobicContact CG2-CE1 4.33Å; I143-Y195 HydrophobicContact CG2-CG 3.84Å; I144-Y195 HydrophobicContact CD1-CE2 4.15Å; I144-Y195 HydrophobicContact CG1-CD2 4.34Å; I144-Y195 HydrophobicContact CG1-CE2 3.61Å; W176-Y195 PolarHBondContact O-OH 3.04Å; P193-Y195 VanDerWaalsContact C-N 3.34Å; P193-Y195 HydrophobicContact CB-CD1 3.94Å; P193-Y195 HydrophobicContact CB-CE1 3.37Å; P193-Y195 HydrophobicContact CB-CE2 4.04Å; P193-Y195 HydrophobicContact CB-CG 4.48Å; P193-Y195 VanDerWaalsContact CB-CZ 3.43Å; P193-Y195 PolarHBondContact O-N 2.97Å
196	F	52.3	Low	68	Low	39 Å²	39	64.6 Å²	64.6	17%	0.171	33%	0.331	C	S	.	.			trans	-100.1	122.5	165	-67.8	-71.1	0	0	0	109.8	T140 I144 W176 P193 S198 F199	T140-F196 HydrophobicContact CG2-CD1 4.12Å; T140-F196 HydrophobicContact CG2-CE1 3.77Å; T140-F196 HydrophobicContact CG2-CZ 4.36Å; I144-F196 HydrophobicContact CD1-CZ 3.98Å; W176-F196 HydrophobicContact CB-CE2 4.45Å; W176-F196 AromaticContact CD1-CZ 3.96Å; W176-F196 HydrophobicContact CD2-CE2 4.08Å; W176-F196 HydrophobicContact CD2-CZ 4.23Å; W176-F196 HydrophobicContact CG-CE2 4.03Å; W176-F196 HydrophobicContact CG-CZ 4.23Å; W176-F196 AromaticContact NE1-CZ 3.92Å; P193-F196 HydrophobicContact CB-CD2 4.06Å; P193-F196 HydrophobicContact CB-CE2 4.39Å; P193-F196 HydrophobicContact CG-CD2 3.9Å; P193-F196 HydrophobicContact CG-CE2 4.1Å; F196-S198 PolarHBondContact O-N 3.31Å; F196-F199 HydrophobicContact CB-CB 4.09Å; F196-F199 HydrophobicContact CB-CD1 4.15Å; F196-F199 HydrophobicContact CB-CD2 4.15Å; F196-F199 HydrophobicContact CB-CG 3.87Å; F196-F199 HydrophobicContact CD2-CD2 4.01Å; F196-F199 AromaticContact CD2-CE2 3.96Å; F196-F199 HydrophobicContact CD2-CE2 3.96Å; F196-F199 HydrophobicContact CD2-CZ 4.45Å; F196-F199 HydrophobicContact CG-CD2 4.45Å; F196-F199 PolarHBondContact O-N 2.95Å
197	V	49.3	Very low	67.9	Low	119 Å²	119	62.8 Å²	62.8	72%	0.721	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.7	-179.1	174.6	0	0	0	0	112.6	M136 F199	M136-V197 HydrophobicContact CE-CB 3.78Å; M136-V197 HydrophobicContact CE-CG1 4.25Å; M136-V197 HydrophobicContact CE-CG2 3.23Å; V197-F199 VanDerWaalsContact C-N 3.31Å; V197-F199 PolarHBondContact O-N 3.47Å
198	S	48.2	Very low	68	Low	60 Å²	60	58.6 Å²	58.6	42%	0.42	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	7.7	177.4	56.4	0	0	0	0	114.3	F196 T233	F196-S198 PolarHBondContact O-N 3.31Å; S198-T233 PolarHBondContact O-N 3.18Å; S198-T233 PolarHBondContact O-OG1 3.31Å
199	F	53.4	Low	68.2	Low	24 Å²	24	58 Å²	58	11%	0.105	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-109.3	135.3	-176.8	-80	17.8	0	0	0	113.4	W176 C192 P193 F196 V197 Y228 C231 V232	W176-F199 HydrophobicContact CE3-CE2 4.26Å; W176-F199 HydrophobicContact CE3-CZ 4.23Å; W176-F199 HydrophobicContact CH2-CZ 4.38Å; W176-F199 HydrophobicContact CZ3-CE2 4.21Å; W176-F199 AromaticContact CZ3-CZ 3.73Å; W176-F199 HydrophobicContact CZ3-CZ 3.73Å; C192-F199 HydrophobicContact CB-CD2 4.24Å; P193-F199 HydrophobicContact CG-CD2 3.86Å; P193-F199 HydrophobicContact CG-CE2 3.91Å; F196-F199 HydrophobicContact CB-CB 4.09Å; F196-F199 HydrophobicContact CB-CD1 4.15Å; F196-F199 HydrophobicContact CB-CD2 4.15Å; F196-F199 HydrophobicContact CB-CG 3.87Å; F196-F199 HydrophobicContact CD2-CD2 4.01Å; F196-F199 AromaticContact CD2-CE2 3.96Å; F196-F199 HydrophobicContact CD2-CE2 3.96Å; F196-F199 HydrophobicContact CD2-CZ 4.45Å; F196-F199 HydrophobicContact CG-CD2 4.45Å; F196-F199 PolarHBondContact O-N 2.95Å; V197-F199 VanDerWaalsContact C-N 3.31Å; V197-F199 PolarHBondContact O-N 3.47Å; F199-Y228 HydrophobicContact CE2-CD1 4.16Å; F199-C231 CarbonylContact C-O 3.6Å; F199-C231 WeakPolarHBondContact CA-O 3.5Å; F199-C231 HydrophobicContact CD1-CB 4.39Å; F199-C231 HydrophobicContact CD2-CB 3.79Å; F199-C231 HydrophobicContact CE2-CB 3.99Å; F199-C231 HydrophobicContact CG-CB 4.01Å; F199-C231 HydrophobicContact CZ-CB 4.4Å; F199-V232 HydrophobicContact CD1-CG2 4.42Å; F199-V232 HydrophobicContact CE1-CG2 3.9Å
200	D	55.5	Low	68.1	Low	55 Å²	55	55.8 Å²	55.8	29%	0.294	28%	0.282	S	S	.	.			trans	-78.7	122.9	172.2	-158.8	-35	0	0	0	109.8	C192 T202 E203 C231 T233	C192-D200 VanDerWaalsContact CB-O 3.26Å; C192-D200 WeakPolarHBondContact CB-O 3.35Å; D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 PolarHBondContact O-N 3.47Å; D200-T202 WeakPolarHBondContact OD1-CB 3.29Å; D200-T202 PolarHBondContact OD1-N 3.24Å; D200-T202 PolarHBondContact OD1-OG1 3.26Å; D200-T202 PolarHBondContact OD2-OG1 3.44Å; D200-E203 HydrophobicContact CB-CB 4.26Å; D200-E203 HydrophobicContact CB-CG 4.06Å; D200-C231 PolarHBondContact N-O 2.93Å; D200-T233 HydrophobicContact CB-CG2 3.52Å
201	R	60.3	Low	68.2	Low	159 Å²	159	56.9 Å²	56.9	60%	0.6	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.1	179.8	-61.8	177.2	-178.8	-169.9	-7.9	113.1	D194	D194-R201 HydrophobicContact CB-CG 4.29Å; D194-R201 PolarHBondContact O-NH2 2.93Å
202	T	64.6	Low	68.3	Low	115 Å²	115	57.4 Å²	57.4	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-15	179.6	65	0	0	0	0	112.8	D200	D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 PolarHBondContact O-N 3.47Å; D200-T202 WeakPolarHBondContact OD1-CB 3.29Å; D200-T202 PolarHBondContact OD1-N 3.24Å; D200-T202 PolarHBondContact OD1-OG1 3.26Å; D200-T202 PolarHBondContact OD2-OG1 3.44Å
203	E	71	Confident	68.6	Low	73 Å²	73	57.7 Å²	57.7	34%	0.341	31%	0.307	S	S	.	.	S	Bend	trans	-94.1	166.7	179.8	-69.7	-71	176.9	0	0	112.1	C192 D200 L230	C192-E203 PolarHBondContact N-O 3.19Å; C192-E203 PolarHBondContact SG-O 3.43Å; D200-E203 HydrophobicContact CB-CB 4.26Å; D200-E203 HydrophobicContact CB-CG 4.06Å; E203-L230 HydrophobicContact CB-CB 4.18Å; E203-L230 WeakPolarHBondContact CB-O 3.25Å; E203-L230 HydrophobicContact CG-CB 4.46Å; E203-L230 WeakPolarHBondContact CG-O 3.35Å
204	Q	74.9	Confident	69.2	Low	79 Å²	79	62.3 Å²	62.3	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.5	-176.9	-65.4	-171.3	-26.1	0	0	112.9	Q190 N191	Q190-Q204 CarbonylContact O-C 3.55Å; Q190-Q204 VanDerWaalsContact O-CA 3.31Å; Q190-Q204 WeakPolarHBondContact O-CA 3.23Å; N191-Q204 PolarHBondContact OD1-NE2 3.04Å
205	A	70.7	Confident	70	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.2	166.3	0	0	0	0	0	109.7	L177 W179 S189 Q190 T226 N227 Y228	L177-A205 HydrophobicContact CD1-CB 4.12Å; W179-A205 HydrophobicContact CH2-CB 4.43Å; W179-A205 HydrophobicContact CZ2-CB 4.39Å; S189-A205 WeakPolarHBondContact CA-O 3.44Å; Q190-A205 PolarHBondContact N-O 3.29Å; Q190-A205 PolarHBondContact O-N 2.92Å; A205-T226 HydrophobicContact CB-CG2 4.5Å; A205-N227 WeakPolarHBondContact CA-O 3.21Å; A205-Y228 HydrophobicContact CB-CD1 3.46Å; A205-Y228 VanDerWaalsContact CB-CD1 3.46Å; A205-Y228 HydrophobicContact CB-CE1 3.39Å; A205-Y228 HydrophobicContact CB-CG 4.28Å
206	K	76.6	Confident	70.8	Confident	84 Å²	84	61.3 Å²	61.3	37%	0.365	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.8	-176.5	-62.8	-174.8	178.3	175.5	0	112.1	A188 N227	A188-K206 CarbonylContact O-C 3.53Å; A188-K206 WeakPolarHBondContact O-CA 3.41Å; K206-N227 PolarHBondContact N-O 3.39Å; K206-N227 WeakPolarHBondContact O-CB 3.37Å; K206-N227 PolarHBondContact O-N 3.44Å
207	K	79.6	Confident	71.8	Confident	1 Å²	1	64.5 Å²	64.5	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.1	178.6	-157.8	176.3	-175.1	167	0	110.3	N172 W179 Y187 A188 W215 T226	N172-K207 PolarHBondContact ND2-NZ 2.73Å; N172-K207 PolarHBondContact OD1-NZ 3.3Å; W179-K207 HydrophobicContact CD2-CB 4.12Å; W179-K207 HydrophobicContact CD2-CD 3.64Å; W179-K207 HydrophobicContact CE3-CB 3.96Å; W179-K207 HydrophobicContact CE3-CD 4.21Å; W179-K207 HydrophobicContact CG-CD 3.76Å; W179-K207 HydrophobicContact CH2-CB 3.88Å; W179-K207 HydrophobicContact CZ2-CB 4.05Å; W179-K207 HydrophobicContact CZ2-CD 4.42Å; W179-K207 HydrophobicContact CZ3-CB 3.84Å; Y187-K207 CarbonylContact C-O 3.59Å; Y187-K207 WeakPolarHBondContact CA-O 3.3Å; A188-K207 PolarHBondContact N-O 2.88Å; A188-K207 PolarHBondContact O-N 3.49Å; K207-W215 HydrophobicContact CB-CE3 4.33Å; K207-W215 HydrophobicContact CB-CZ3 3.85Å; K207-W215 HydrophobicContact CD-CD2 4.07Å; K207-W215 HydrophobicContact CD-CE3 3.64Å; K207-W215 HydrophobicContact CD-CH2 4.1Å; K207-W215 HydrophobicContact CD-CZ3 3.66Å; K207-W215 HydrophobicContact CG-CD2 4.41Å; K207-W215 HydrophobicContact CG-CE3 3.55Å; K207-W215 HydrophobicContact CG-CH2 4.43Å; K207-W215 HydrophobicContact CG-CZ3 3.57Å; K207-T226 HydrophobicContact CB-CG2 4.38Å
208	Y	82.5	Confident	72.3	Confident	67 Å²	67	62.4 Å²	62.4	26%	0.263	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.2	-175.9	-176.9	-114.5	0	0	0	111.8	Y187 F216	Y187-Y208 AromaticContact CD1-CD2 3.94Å; Y187-Y208 HydrophobicContact CD1-CD2 3.94Å; Y187-Y208 HydrophobicContact CD1-CG 4.37Å; Y187-Y208 AromaticContact CD2-CD2 3.74Å; Y187-Y208 HydrophobicContact CD2-CD2 3.74Å; Y187-Y208 HydrophobicContact CD2-CE2 4.22Å; Y187-Y208 AromaticContact CE1-CD2 3.72Å; Y187-Y208 HydrophobicContact CE1-CD2 3.72Å; Y187-Y208 AromaticContact CE1-CG 3.97Å; Y187-Y208 HydrophobicContact CE1-CG 3.97Å; Y187-Y208 AromaticContact CE2-CD2 3.48Å; Y187-Y208 HydrophobicContact CE2-CD2 3.48Å; Y187-Y208 VanDerWaalsContact CE2-CD2 3.48Å; Y187-Y208 AromaticContact CE2-CE2 3.84Å; Y187-Y208 HydrophobicContact CE2-CE2 3.84Å; Y187-Y208 HydrophobicContact CE2-CG 4.44Å; Y187-Y208 AromaticContact CG-CD2 3.96Å; Y187-Y208 HydrophobicContact CG-CD2 3.96Å; Y187-Y208 AromaticContact CZ-CD2 3.46Å; Y187-Y208 VanDerWaalsContact CZ-CD2 3.46Å; Y187-Y208 AromaticContact CZ-CG 3.99Å; Y208-F216 HydrophobicContact CD1-CB 4.19Å; Y208-F216 PolarHBondContact O-N 2.86Å
209	C	84.8	Confident	72.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-95.6	119.4	170.7	-177.6	0	0	0	0	109.7	C169 T182 G185 S186 W215	C169-C209 HydrophobicContact CB-CB 3.87Å; C169-C209 WeakPolarHBondContact CB-SG 3.36Å; C169-C209 PolarHBondContact N-SG 3.3Å; C169-C209 WeakPolarHBondContact SG-CA 3.31Å; C169-C209 WeakPolarHBondContact SG-CB 3.37Å; C169-C209 CovalentContact SG-SG 2.02Å; C169-C209 PolarHBondContact SG-SG 3.26Å; T182-C209 HydrophobicContact CG2-CB 4Å; T182-C209 PolarHBondContact O-SG 2.93Å; G185-C209 WeakPolarHBondContact CA-O 3.39Å; G185-C209 PolarHBondContact N-O 3.09Å; S186-C209 PolarHBondContact O-N 2.88Å; C209-W215 HydrophobicContact CB-CE3 4.33Å; C209-W215 HydrophobicContact CB-CZ3 4.17Å
210	G	81.3	Confident	72.5	Confident	8 Å²	8	68.5 Å²	68.5	8%	0.082	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-64.5	159.7	-179.8	0	0	0	0	0	112.7	A184 G185 D212 G213 E214	A184-G210 WeakPolarHBondContact CA-O 3.39Å; A184-G210 VanDerWaalsContact CB-O 3.23Å; A184-G210 WeakPolarHBondContact CB-O 3.41Å; G185-G210 PolarHBondContact N-O 3.38Å; G210-D212 VanDerWaalsContact C-OD1 3.3Å; G210-D212 VanDerWaalsContact CA-OD1 3.31Å; G210-D212 WeakPolarHBondContact CA-OD1 3.08Å; G210-D212 PolarHBondContact O-N 2.8Å; G210-G213 PolarHBondContact O-N 3.02Å; G210-E214 PolarHBondContact N-O 3.14Å
211	A	80.8	Confident	72.4	Confident	80 Å²	80	69 Å²	69	66%	0.661	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.6	176.3	0	0	0	0	0	112.7	L167 G213	L167-A211 WeakPolarHBondContact CD2-O 3.43Å; A211-G213 VanDerWaalsContact C-N 3.32Å
212	D	82.1	Confident	72.6	Confident	112 Å²	112	67 Å²	67	60%	0.599	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1	173.4	58.9	-14.5	0	0	0	113.7	L167 G210 E214	L167-D212 VanDerWaalsContact CD2-O 3.23Å; L167-D212 WeakPolarHBondContact CD2-O 3.48Å; G210-D212 VanDerWaalsContact C-OD1 3.3Å; G210-D212 VanDerWaalsContact CA-OD1 3.31Å; G210-D212 WeakPolarHBondContact CA-OD1 3.08Å; G210-D212 PolarHBondContact O-N 2.8Å; D212-E214 VanDerWaalsContact C-N 3.27Å; D212-E214 PolarHBondContact OD1-N 2.87Å
213	G	77.3	Confident	72.3	Confident	11 Å²	11	68.9 Å²	68.9	11%	0.113	37%	0.369	C	S	.	.	S	Bend	trans	78.9	10.4	178.1	0	0	0	0	0	113.6	C169 G210 A211	C169-G213 WeakPolarHBondContact CA-O 3.38Å; C169-G213 PolarHBondContact SG-O 3.22Å; C169-G213 VanDerWaalsContact SG-O 3.37Å; G210-G213 PolarHBondContact O-N 3.02Å; A211-G213 VanDerWaalsContact C-N 3.32Å
214	E	81.7	Confident	72.2	Confident	103 Å²	103	68.5 Å²	68.5	48%	0.481	37%	0.368	S	S	.	.	S	Bend	trans	-105.9	145.9	175.7	-75.1	-71	144.2	0	0	111.2	C169 G210 D212 R217	C169-E214 PolarHBondContact SG-O 3.31Å; C169-E214 VanDerWaalsContact SG-O 3.36Å; G210-E214 PolarHBondContact N-O 3.14Å; D212-E214 VanDerWaalsContact C-N 3.27Å; D212-E214 PolarHBondContact OD1-N 2.87Å; E214-R217 IonicContact OE2-NH2 3.24Å
215	W	80.6	Confident	71.6	Confident	13 Å²	13	69.3 Å²	69.3	5%	0.049	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-66.8	138.7	174.6	-72.4	107	0	0	0	110.5	C169 G170 N172 W179 T182 A188 K207 C209 R217 I224	C169-W215 HydrophobicContact CB-CD2 3.65Å; C169-W215 HydrophobicContact CB-CE3 4.19Å; C169-W215 HydrophobicContact CB-CG 4.01Å; C169-W215 HydrophobicContact CB-CH2 4.29Å; C169-W215 HydrophobicContact CB-CZ2 3.74Å; C169-W215 HydrophobicContact CB-CZ3 4.49Å; G170-W215 PolarHBondContact O-NE1 3.43Å; N172-W215 PolarHBondContact ND2-NE1 3.48Å; N172-W215 VanDerWaalsContact ND2-NE1 3.16Å; W179-W215 HydrophobicContact CB-CZ2 4.31Å; T182-W215 HydrophobicContact CG2-CH2 4.34Å; T182-W215 WeakPolarHBondContact OG1-CH2 3.36Å; A188-W215 HydrophobicContact CB-CH2 4.08Å; A188-W215 HydrophobicContact CB-CZ3 4.39Å; K207-W215 HydrophobicContact CB-CE3 4.33Å; K207-W215 HydrophobicContact CB-CZ3 3.85Å; K207-W215 HydrophobicContact CD-CD2 4.07Å; K207-W215 HydrophobicContact CD-CE3 3.64Å; K207-W215 HydrophobicContact CD-CH2 4.1Å; K207-W215 HydrophobicContact CD-CZ3 3.66Å; K207-W215 HydrophobicContact CG-CD2 4.41Å; K207-W215 HydrophobicContact CG-CE3 3.55Å; K207-W215 HydrophobicContact CG-CH2 4.43Å; K207-W215 HydrophobicContact CG-CZ3 3.57Å; C209-W215 HydrophobicContact CB-CE3 4.33Å; C209-W215 HydrophobicContact CB-CZ3 4.17Å; W215-R217 PolarHBondContact O-N 3.23Å; W215-I224 HydrophobicContact CB-CD1 4.34Å; W215-I224 HydrophobicContact CB-CG1 4.24Å; W215-I224 HydrophobicContact CB-CG2 3.67Å; W215-I224 HydrophobicContact CG-CG2 4.22Å
216	F	78.6	Confident	71.4	Confident	85 Å²	85	70.1 Å²	70.1	37%	0.373	37%	0.373	S	S	.	.			trans	-55.2	127.7	178.2	-177.9	-97.5	0	0	0	111.8	Y208 W225	Y208-F216 HydrophobicContact CD1-CB 4.19Å; Y208-F216 PolarHBondContact O-N 2.86Å; F216-W225 HydrophobicContact CD1-CB 4.16Å; F216-W225 HydrophobicContact CD1-CD2 4.36Å; F216-W225 AromaticContact CD1-CE3 3.71Å; F216-W225 HydrophobicContact CD1-CE3 3.71Å; F216-W225 HydrophobicContact CD1-CZ3 4.46Å; F216-W225 HydrophobicContact CE1-CD2 4.44Å; F216-W225 AromaticContact CE1-CE3 3.97Å; F216-W225 HydrophobicContact CE1-CE3 3.97Å; F216-W225 PolarHBondContact O-N 2.91Å
217	R	73.4	Confident	70.9	Confident	107 Å²	107	68.5 Å²	68.5	40%	0.404	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-106.7	138	177.9	-66.7	176.8	-174.6	-98.9	-1.2	110.4	E214 W215 N222 K223 I224	E214-R217 IonicContact OE2-NH2 3.24Å; W215-R217 PolarHBondContact O-N 3.23Å; R217-N222 PolarHBondContact NH1-O 3.43Å; R217-K223 CarbonylContact C-O 3.54Å; R217-K223 VanDerWaalsContact CA-O 3.24Å; R217-K223 WeakPolarHBondContact CA-O 3.42Å; R217-I224 HydrophobicContact CG-CG1 4.35Å
218	H	60.9	Low	69.6	Low	74 Å²	74	69.8 Å²	69.8	34%	0.343	37%	0.373	S	S	.	.			trans	-67.5	130.4	-179.8	-174	-91.4	0	0	0	110.9	A220 S221 N222 K223 W225	H218-A220 PolarHBondContact ND1-N 3.1Å; H218-A220 PolarHBondContact O-N 3.24Å; H218-A220 VanDerWaalsContact O-N 3.11Å; H218-S221 WeakPolarHBondContact CB-OG 3.5Å; H218-S221 PolarHBondContact O-N 2.85Å; H218-N222 PolarHBondContact O-N 3.42Å; H218-K223 PolarHBondContact N-O 3Å; H218-W225 HydrophobicContact CB-CB 4.18Å; H218-W225 HydrophobicContact CB-CG 4.44Å
219	P	56	Low	68.3	Low	120 Å²	120	71.3 Å²	71.3	78%	0.779	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.4	-171.2	-24.1	31.7	0	0	0	114.9
220	A	48.9	Very low	66.8	Low	92 Å²	92	74.9 Å²	74.9	76%	0.76	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-23.4	-176.9	0	0	0	0	0	114.4	H218	H218-A220 PolarHBondContact ND1-N 3.1Å; H218-A220 PolarHBondContact O-N 3.24Å; H218-A220 VanDerWaalsContact O-N 3.11Å
221	S	54.8	Low	65.3	Low	65 Å²	65	74.5 Å²	74.5	46%	0.455	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-9.2	-172.5	61.6	0	0	0	0	113.9	H218 K223	H218-S221 WeakPolarHBondContact CB-OG 3.5Å; H218-S221 PolarHBondContact O-N 2.85Å; S221-K223 PolarHBondContact O-N 3.36Å
222	N	64.5	Low	63.8	Low	118 Å²	118	73.2 Å²	73.2	63%	0.631	39%	0.389	S	S	*	.			trans	54.2	15.7	-178.4	-157.3	25.4	0	0	0	115.1	R217 H218	R217-N222 PolarHBondContact NH1-O 3.43Å; H218-N222 PolarHBondContact O-N 3.42Å
223	K	57.3	Low	62.2	Low	154 Å²	154	70.9 Å²	70.9	67%	0.67	38%	0.379	S	S	*	.	S	Bend	trans	-91.2	149	175.2	-67.6	-174.4	-179.1	-177.6	0	110.2	R217 H218 S221 W225	R217-K223 CarbonylContact C-O 3.54Å; R217-K223 VanDerWaalsContact CA-O 3.24Å; R217-K223 WeakPolarHBondContact CA-O 3.42Å; H218-K223 PolarHBondContact N-O 3Å; S221-K223 PolarHBondContact O-N 3.36Å; K223-W225 PolarHBondContact O-N 3.11Å
224	I	69.2	Low	60.8	Low	65 Å²	65	73.8 Å²	73.8	33%	0.333	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-58.6	129.4	172.3	-63.8	173.7	0	0	0	108.3	W215 R217	W215-I224 HydrophobicContact CB-CD1 4.34Å; W215-I224 HydrophobicContact CB-CG1 4.24Å; W215-I224 HydrophobicContact CB-CG2 3.67Å; W215-I224 HydrophobicContact CG-CG2 4.22Å; R217-I224 HydrophobicContact CG-CG1 4.35Å
225	W	62.8	Low	59	Low	97 Å²	97	76.8 Å²	76.8	37%	0.367	41%	0.413	S	S	.	.			trans	-112.2	137.6	-171.9	-179.9	78.6	0	0	0	111.8	F216 H218 K223 N227	F216-W225 HydrophobicContact CD1-CB 4.16Å; F216-W225 HydrophobicContact CD1-CD2 4.36Å; F216-W225 AromaticContact CD1-CE3 3.71Å; F216-W225 HydrophobicContact CD1-CE3 3.71Å; F216-W225 HydrophobicContact CD1-CZ3 4.46Å; F216-W225 HydrophobicContact CE1-CD2 4.44Å; F216-W225 AromaticContact CE1-CE3 3.97Å; F216-W225 HydrophobicContact CE1-CE3 3.97Å; F216-W225 PolarHBondContact O-N 2.91Å; H218-W225 HydrophobicContact CB-CB 4.18Å; H218-W225 HydrophobicContact CB-CG 4.44Å; K223-W225 PolarHBondContact O-N 3.11Å; W225-N227 HydrophobicContact CH2-CB 3.47Å; W225-N227 VanDerWaalsContact CH2-CB 3.47Å; W225-N227 HydrophobicContact CZ2-CB 3.88Å; W225-N227 HydrophobicContact CZ3-CB 3.88Å
226	T	66.1	Low	57.3	Low	17 Å²	17	82.8 Å²	82.8	10%	0.104	45%	0.447	C	S	.	.			trans	-124.5	135	173.8	-55.4	0	0	0	0	108.5	D174 W179 A205 K207 Y228	D174-T226 WeakPolarHBondContact OD2-CB 3.18Å; D174-T226 WeakPolarHBondContact OD2-CG2 3.5Å; D174-T226 PolarHBondContact OD2-OG1 3.34Å; W179-T226 HydrophobicContact CH2-CG2 4.27Å; W179-T226 HydrophobicContact CZ2-CG2 3.41Å; W179-T226 VanDerWaalsContact CZ2-CG2 3.41Å; A205-T226 HydrophobicContact CB-CG2 4.5Å; K207-T226 HydrophobicContact CB-CG2 4.38Å; T226-Y228 VanDerWaalsContact CB-CE2 3.49Å; T226-Y228 HydrophobicContact CG2-CD2 3.84Å; T226-Y228 HydrophobicContact CG2-CE1 4.4Å; T226-Y228 HydrophobicContact CG2-CE2 3.31Å; T226-Y228 PolarHBondContact O-N 3.06Å
227	N	65.6	Low	55.7	Low	50 Å²	50	86.6 Å²	86.6	27%	0.267	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-88.7	100.8	179.2	-169	-9	0	0	0	111.2	A205 K206 W225 T229	A205-N227 WeakPolarHBondContact CA-O 3.21Å; K206-N227 PolarHBondContact N-O 3.39Å; K206-N227 WeakPolarHBondContact O-CB 3.37Å; K206-N227 PolarHBondContact O-N 3.44Å; W225-N227 HydrophobicContact CH2-CB 3.47Å; W225-N227 VanDerWaalsContact CH2-CB 3.47Å; W225-N227 HydrophobicContact CZ2-CB 3.88Å; W225-N227 HydrophobicContact CZ3-CB 3.88Å; N227-T229 WeakPolarHBondContact OD1-CB 3.28Å; N227-T229 PolarHBondContact OD1-N 3.47Å; N227-T229 PolarHBondContact OD1-OG1 2.68Å
228	Y	53.6	Low	54.2	Low	27 Å²	27	87.9 Å²	87.9	11%	0.106	47%	0.468	C	S	.	.			trans	-97.6	11.6	173.2	-70.1	-81.7	0	0	0	113.1	D174 W176 L177 F199 A205 T226 L230 C231	D174-Y228 VanDerWaalsContact CG-OH 3.29Å; D174-Y228 PolarHBondContact OD1-OH 3Å; D174-Y228 PolarHBondContact OD2-OH 3.31Å; W176-Y228 HydrophobicContact CE3-CD1 4.26Å; W176-Y228 AromaticContact CE3-CD2 3.97Å; W176-Y228 HydrophobicContact CE3-CD2 3.97Å; W176-Y228 HydrophobicContact CE3-CE1 4.17Å; W176-Y228 AromaticContact CE3-CE2 3.85Å; W176-Y228 HydrophobicContact CE3-CE2 3.85Å; W176-Y228 HydrophobicContact CE3-CG 4.17Å; W176-Y228 AromaticContact CE3-CZ 3.98Å; W176-Y228 AromaticContact CZ3-CD2 4Å; W176-Y228 HydrophobicContact CZ3-CD2 4Å; W176-Y228 HydrophobicContact CZ3-CE2 4.33Å; W176-Y228 HydrophobicContact CZ3-CG 4.1Å; L177-Y228 HydrophobicContact CD1-CE1 3.76Å; L177-Y228 WeakPolarHBondContact CD1-OH 3.34Å; L177-Y228 HydrophobicContact CG-CE1 4.26Å; L177-Y228 WeakPolarHBondContact CG-OH 3.42Å; F199-Y228 HydrophobicContact CE2-CD1 4.16Å; A205-Y228 HydrophobicContact CB-CD1 3.46Å; A205-Y228 VanDerWaalsContact CB-CD1 3.46Å; A205-Y228 HydrophobicContact CB-CE1 3.39Å; A205-Y228 HydrophobicContact CB-CG 4.28Å; T226-Y228 VanDerWaalsContact CB-CE2 3.49Å; T226-Y228 HydrophobicContact CG2-CD2 3.84Å; T226-Y228 HydrophobicContact CG2-CE1 4.4Å; T226-Y228 HydrophobicContact CG2-CE2 3.31Å; T226-Y228 PolarHBondContact O-N 3.06Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 PolarHBondContact O-N 2.96Å; Y228-C231 HydrophobicContact CD1-CB 4.46Å; Y228-C231 VanDerWaalsContact O-CB 3.26Å; Y228-C231 WeakPolarHBondContact O-CB 3.25Å; Y228-C231 PolarHBondContact O-N 3.34Å
229	T	53.5	Low	53.7	Low	99 Å²	99	88.7 Å²	88.7	61%	0.607	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-59.5	-36.4	-171.4	-52.1	0	0	0	0	112.9	N227 C231	N227-T229 WeakPolarHBondContact OD1-CB 3.28Å; N227-T229 PolarHBondContact OD1-N 3.47Å; N227-T229 PolarHBondContact OD1-OG1 2.68Å; T229-C231 VanDerWaalsContact C-N 3.3Å
230	L	53.6	Low	53.4	Low	76 Å²	76	83.6 Å²	83.6	40%	0.398	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-74.2	-23.2	177.1	-65.1	174	0	0	0	112.4	E203 Y228 V232	E203-L230 HydrophobicContact CB-CB 4.18Å; E203-L230 WeakPolarHBondContact CB-O 3.25Å; E203-L230 HydrophobicContact CG-CB 4.46Å; E203-L230 WeakPolarHBondContact CG-O 3.35Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 PolarHBondContact O-N 2.96Å; L230-V232 VanDerWaalsContact C-N 3.33Å; L230-V232 PolarHBondContact O-N 3.49Å
231	C	49.8	Very low	53.5	Low	0 Å²	0	85.8 Å²	85.8	0%	0	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-72.5	-22.4	-178.6	-62.1	0	0	0	0	113.4	C192 F199 D200 Y228 T229 T233	C192-C231 HydrophobicContact CB-CB 3.6Å; C192-C231 WeakPolarHBondContact CB-SG 3.44Å; C192-C231 WeakPolarHBondContact SG-CA 3.43Å; C192-C231 WeakPolarHBondContact SG-CB 3.26Å; C192-C231 CovalentContact SG-SG 2.01Å; C192-C231 PolarHBondContact SG-SG 3.38Å; F199-C231 CarbonylContact C-O 3.6Å; F199-C231 WeakPolarHBondContact CA-O 3.5Å; F199-C231 HydrophobicContact CD1-CB 4.39Å; F199-C231 HydrophobicContact CD2-CB 3.79Å; F199-C231 HydrophobicContact CE2-CB 3.99Å; F199-C231 HydrophobicContact CG-CB 4.01Å; F199-C231 HydrophobicContact CZ-CB 4.4Å; D200-C231 PolarHBondContact N-O 2.93Å; Y228-C231 HydrophobicContact CD1-CB 4.46Å; Y228-C231 VanDerWaalsContact O-CB 3.26Å; Y228-C231 WeakPolarHBondContact O-CB 3.25Å; Y228-C231 PolarHBondContact O-N 3.34Å; T229-C231 VanDerWaalsContact C-N 3.3Å; C231-T233 PolarHBondContact O-N 3.12Å
232	V	49.6	Very low	53.5	Low	53 Å²	53	87.8 Å²	87.8	32%	0.321	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-84.6	114.7	-170.8	-177.5	0	0	0	0	111.8	F199 L230 T234 R238	F199-V232 HydrophobicContact CD1-CG2 4.42Å; F199-V232 HydrophobicContact CE1-CG2 3.9Å; L230-V232 VanDerWaalsContact C-N 3.33Å; L230-V232 PolarHBondContact O-N 3.49Å; V232-T234 HydrophobicContact CG1-CG2 3.91Å; V232-R238 PolarHBondContact O-NH2 3.31Å
233	T	49.3	Very low	53.3	Low	63 Å²	63	85.7 Å²	85.7	39%	0.387	43%	0.43	S	S	.	.			trans	-87.1	117.7	166.5	55.1	0	0	0	0	109.5	S198 D200 C231	S198-T233 PolarHBondContact O-N 3.18Å; S198-T233 PolarHBondContact O-OG1 3.31Å; D200-T233 HydrophobicContact CB-CG2 3.52Å; C231-T233 PolarHBondContact O-N 3.12Å
234	T	47.7	Very low	53.5	Low	72 Å²	72	79.5 Å²	79.5	44%	0.442	41%	0.405	S	S	.	.			trans	-139.7	97.3	171.7	41.2	0	0	0	0	107.7	V232 D236	V232-T234 HydrophobicContact CG1-CG2 3.91Å; T234-D236 PolarHBondContact O-N 3.16Å; T234-D236 VanDerWaalsContact O-N 3.15Å
235	D	44.2	Very low	53.5	Low	165 Å²	165	80.8 Å²	80.8	88%	0.882	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9	-169.4	-123.5	-15.1	0	0	0	114.5
236	D	44.3	Very low	54.1	Low	140 Å²	140	81 Å²	81	75%	0.749	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-9.6	-176.8	-82.8	-40.3	0	0	0	117.1	T234	T234-D236 PolarHBondContact O-N 3.16Å; T234-D236 VanDerWaalsContact O-N 3.15Å
237	K	44.8	Very low	54.3	Low	164 Å²	164	82.2 Å²	82.2	71%	0.713	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-12.5	-171.9	-65.9	-172	-179.6	-178.1	0	115.8	K241	K237-K241 PolarHBondContact O-N 2.93Å
238	R	41.9	Very low	55	Low	135 Å²	135	83.4 Å²	83.4	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-70.5	-39.9	-178.5	-158.6	179.4	-82.3	-172.9	-2.3	113.8	V232 L242	V232-R238 PolarHBondContact O-NH2 3.31Å; R238-L242 HydrophobicContact CG-CD1 4.16Å; R238-L242 PolarHBondContact O-N 3.19Å
239	P	51.1	Low	56.2	Low	91 Å²	91	88.1 Å²	88.1	59%	0.591	45%	0.448	S	S	*	.	H	α-helix	trans	-66.8	-41.2	179.3	-17.2	29.8	0	0	0	112.7	K243	P239-K243 VanDerWaalsContact O-CB 3.3Å; P239-K243 WeakPolarHBondContact O-CB 3.36Å; P239-K243 PolarHBondContact O-N 2.83Å
240	A	49.1	Very low	57.5	Low	13 Å²	13	88.5 Å²	88.5	11%	0.107	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-47.2	-179	0	0	0	0	0	111.8	K243 V244 Y294 F295	A240-K243 PolarHBondContact O-N 2.86Å; A240-V244 VanDerWaalsContact O-CG2 3.3Å; A240-V244 WeakPolarHBondContact O-CG2 3.25Å; A240-V244 PolarHBondContact O-N 3.4Å; A240-Y294 HydrophobicContact CB-CD2 4.49Å; A240-Y294 WeakPolarHBondContact CB-O 3.25Å; A240-F295 HydrophobicContact CB-CD1 4.19Å; A240-F295 HydrophobicContact CB-CE1 4.25Å
241	K	50	Low	58.8	Low	138 Å²	138	85 Å²	85	60%	0.6	42%	0.423	S	S	*	.	H	α-helix	trans	-66.3	-42.2	-179	-168.9	178.1	177.9	-175.2	0	112.6	K237 K243 V244 E245	K237-K241 PolarHBondContact O-N 2.93Å; K241-K243 VanDerWaalsContact C-N 3.31Å; K241-K243 PolarHBondContact O-N 3.25Å; K241-V244 PolarHBondContact O-N 3.26Å; K241-E245 VanDerWaalsContact CE-OE1 3.32Å; K241-E245 WeakPolarHBondContact CE-OE1 3.39Å; K241-E245 WeakPolarHBondContact O-CG 3.48Å; K241-E245 PolarHBondContact O-N 3.29Å
242	L	56.4	Low	60.2	Low	106 Å²	106	88.7 Å²	88.7	56%	0.555	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-39.9	173.3	-89.6	154.9	0	0	0	111.7	R238 E245 E246	R238-L242 HydrophobicContact CG-CD1 4.16Å; R238-L242 PolarHBondContact O-N 3.19Å; L242-E245 PolarHBondContact O-N 2.86Å; L242-E246 VanDerWaalsContact O-CB 3.3Å; L242-E246 WeakPolarHBondContact O-CB 3.27Å; L242-E246 PolarHBondContact O-N 3.12Å
243	K	59.4	Low	61.8	Low	74 Å²	74	91.6 Å²	91.6	32%	0.322	45%	0.452	S	S	.	.	H	α-helix	trans	-72.9	-32.8	179.9	-163.2	156.6	165	-158.3	0	112.6	P239 A240 K241 N247 D293 Y294	P239-K243 VanDerWaalsContact O-CB 3.3Å; P239-K243 WeakPolarHBondContact O-CB 3.36Å; P239-K243 PolarHBondContact O-N 2.83Å; A240-K243 PolarHBondContact O-N 2.86Å; K241-K243 VanDerWaalsContact C-N 3.31Å; K241-K243 PolarHBondContact O-N 3.25Å; K243-N247 VanDerWaalsContact O-CB 3.26Å; K243-N247 WeakPolarHBondContact O-CB 3.35Å; K243-N247 PolarHBondContact O-N 2.89Å; K243-N247 PolarHBondContact O-ND2 3.42Å; K243-N247 VanDerWaalsContact O-ND2 3.13Å; K243-D293 WeakPolarHBondContact CE-OD1 3.41Å; K243-D293 IonicContact NZ-OD1 3.8Å; K243-D293 PolarHBondContact NZ-OD1 3.41Å; K243-D293 IonicContact NZ-OD2 3.81Å; K243-D293 PolarHBondContact NZ-OD2 2.92Å; K243-Y294 HydrophobicContact CB-CD1 4.48Å; K243-Y294 HydrophobicContact CB-CG 4.18Å; K243-Y294 HydrophobicContact CD-CD1 4.23Å; K243-Y294 HydrophobicContact CD-CG 4.2Å; K243-Y294 HydrophobicContact CG-CD1 3.92Å; K243-Y294 HydrophobicContact CG-CG 4.02Å
244	V	60.8	Low	63.2	Low	24 Å²	24	92.4 Å²	92.4	15%	0.145	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-51.2	169.4	174.7	0	0	0	0	110.7	A240 K241 E246 N247 E248 W272 Y294 F295	A240-V244 VanDerWaalsContact O-CG2 3.3Å; A240-V244 WeakPolarHBondContact O-CG2 3.25Å; A240-V244 PolarHBondContact O-N 3.4Å; K241-V244 PolarHBondContact O-N 3.26Å; V244-E246 VanDerWaalsContact C-N 3.32Å; V244-E246 PolarHBondContact O-N 2.98Å; V244-N247 PolarHBondContact O-N 3.13Å; V244-E248 WeakPolarHBondContact O-CB 3.46Å; V244-E248 PolarHBondContact O-N 2.93Å; V244-W272 HydrophobicContact CG1-CZ2 4.18Å; V244-Y294 HydrophobicContact CB-CE2 4.42Å; V244-Y294 HydrophobicContact CG2-CD2 3.94Å; V244-Y294 HydrophobicContact CG2-CE2 3.16Å; V244-F295 HydrophobicContact CG2-CZ 4.05Å
245	E	69.1	Low	64.4	Low	93 Å²	93	93 Å²	93	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-38.7	-179.8	-73.2	175.1	-170.8	0	0	111.3	K241 L242 Q249	K241-E245 VanDerWaalsContact CE-OE1 3.32Å; K241-E245 WeakPolarHBondContact CE-OE1 3.39Å; K241-E245 WeakPolarHBondContact O-CG 3.48Å; K241-E245 PolarHBondContact O-N 3.29Å; L242-E245 PolarHBondContact O-N 2.86Å; E245-Q249 WeakPolarHBondContact O-CG 3.27Å; E245-Q249 PolarHBondContact O-N 3.48Å; E245-Q249 VanDerWaalsContact O-N 3.08Å
246	E	76.5	Confident	65.8	Low	100 Å²	100	94 Å²	94	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-43.8	173.6	-169.8	-169.7	167.1	0	0	112.1	L242 V244 Q249 K250	L242-E246 VanDerWaalsContact O-CB 3.3Å; L242-E246 WeakPolarHBondContact O-CB 3.27Å; L242-E246 PolarHBondContact O-N 3.12Å; V244-E246 VanDerWaalsContact C-N 3.32Å; V244-E246 PolarHBondContact O-N 2.98Å; E246-Q249 PolarHBondContact O-N 3.41Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.32Å; E246-K250 WeakPolarHBondContact OE1-CE 3.26Å; E246-K250 IonicContact OE1-NZ 3.76Å; E246-K250 PolarHBondContact OE1-NZ 3.32Å
247	N	71.1	Confident	67	Low	43 Å²	43	97.2 Å²	97.2	23%	0.23	45%	0.447	C	S	.	.	H	α-helix	trans	-69.7	-35.6	179.5	-74.5	-22.9	0	0	0	112.6	K243 V244 K250 C251 W272 Y294	K243-N247 VanDerWaalsContact O-CB 3.26Å; K243-N247 WeakPolarHBondContact O-CB 3.35Å; K243-N247 PolarHBondContact O-N 2.89Å; K243-N247 PolarHBondContact O-ND2 3.42Å; K243-N247 VanDerWaalsContact O-ND2 3.13Å; V244-N247 PolarHBondContact O-N 3.13Å; N247-K250 PolarHBondContact O-N 3.25Å; N247-C251 WeakPolarHBondContact O-CB 3.28Å; N247-C251 PolarHBondContact O-N 2.89Å; N247-W272 HydrophobicContact CB-CH2 3.97Å; N247-W272 HydrophobicContact CB-CZ3 4.37Å; N247-Y294 WeakPolarHBondContact ND2-CE1 3.23Å
248	E	78.4	Confident	67.9	Low	76 Å²	76	93 Å²	93	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-60.7	-47.4	171.4	-179.1	173.7	-161.5	0	0	110.5	V244 K250 C251 L252 W272	V244-E248 WeakPolarHBondContact O-CB 3.46Å; V244-E248 PolarHBondContact O-N 2.93Å; E248-K250 PolarHBondContact O-N 2.92Å; E248-C251 WeakPolarHBondContact O-CB 3.49Å; E248-C251 PolarHBondContact O-N 2.87Å; E248-L252 HydrophobicContact CG-CD1 4.05Å; E248-L252 HydrophobicContact CG-CG 4.47Å; E248-L252 WeakPolarHBondContact O-CG 3.45Å; E248-L252 PolarHBondContact O-N 3.2Å; E248-W272 HydrophobicContact CB-CD2 4.33Å; E248-W272 HydrophobicContact CB-CH2 4.42Å; E248-W272 HydrophobicContact CB-CZ2 3.8Å; E248-W272 HydrophobicContact CG-CD2 4.35Å; E248-W272 HydrophobicContact CG-CG 4.33Å
249	Q	79.9	Confident	68.8	Low	126 Å²	126	92 Å²	92	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-62.5	-41	176.8	-72.5	-166.6	1.8	0	0	112.6	E245 E246 C251 L252 Q253	E245-Q249 WeakPolarHBondContact O-CG 3.27Å; E245-Q249 PolarHBondContact O-N 3.48Å; E245-Q249 VanDerWaalsContact O-N 3.08Å; E246-Q249 PolarHBondContact O-N 3.41Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 3.2Å; Q249-L252 PolarHBondContact O-N 3.44Å; Q249-Q253 WeakPolarHBondContact O-CB 3.46Å; Q249-Q253 VanDerWaalsContact O-CG 3.27Å; Q249-Q253 WeakPolarHBondContact O-CG 3.45Å; Q249-Q253 PolarHBondContact O-N 3.22Å
250	K	80.9	Confident	69.2	Low	107 Å²	107	90.8 Å²	90.8	47%	0.465	44%	0.441	S	S	.	.	H	α-helix	trans	-60.6	-41.5	173.4	-74.2	172.4	-175.1	164.1	0	111.7	E246 N247 E248 Q253 K254	E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.32Å; E246-K250 WeakPolarHBondContact OE1-CE 3.26Å; E246-K250 IonicContact OE1-NZ 3.76Å; E246-K250 PolarHBondContact OE1-NZ 3.32Å; N247-K250 PolarHBondContact O-N 3.25Å; E248-K250 PolarHBondContact O-N 2.92Å; K250-Q253 PolarHBondContact O-N 3.48Å; K250-K254 WeakPolarHBondContact O-CB 3.42Å; K250-K254 PolarHBondContact O-N 3.36Å
251	C	80.4	Confident	69.6	Low	2 Å²	2	94.2 Å²	94.2	1%	0.014	46%	0.457	C	S	.	.	H	α-helix	trans	-64.2	-48.6	177.3	-170.5	0	0	0	0	111.8	N247 E248 Q249 Q253 K254 M255 W272 C277	N247-C251 WeakPolarHBondContact O-CB 3.28Å; N247-C251 PolarHBondContact O-N 2.89Å; E248-C251 WeakPolarHBondContact O-CB 3.49Å; E248-C251 PolarHBondContact O-N 2.87Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 3.2Å; C251-Q253 VanDerWaalsContact C-N 3.27Å; C251-Q253 PolarHBondContact O-N 2.97Å; C251-K254 WeakPolarHBondContact O-CB 3.12Å; C251-K254 PolarHBondContact O-N 3.21Å; C251-K254 VanDerWaalsContact O-N 3.08Å; C251-M255 WeakPolarHBondContact O-CG 3.49Å; C251-M255 PolarHBondContact O-N 3.01Å; C251-W272 HydrophobicContact CB-CE3 3.85Å; C251-W272 HydrophobicContact CB-CZ3 4.4Å; C251-C277 WeakPolarHBondContact CA-SG 3.38Å; C251-C277 HydrophobicContact CB-CB 3.53Å; C251-C277 WeakPolarHBondContact CB-SG 3.37Å; C251-C277 WeakPolarHBondContact SG-CB 3.28Å; C251-C277 CovalentContact SG-SG 2.03Å; C251-C277 PolarHBondContact SG-SG 3.46Å
252	L	80.3	Confident	70	Confident	77 Å²	77	96 Å²	96	40%	0.403	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-35.4	178	-68.7	172.7	0	0	0	111.9	E248 Q249 K256	E248-L252 HydrophobicContact CG-CD1 4.05Å; E248-L252 HydrophobicContact CG-CG 4.47Å; E248-L252 WeakPolarHBondContact O-CG 3.45Å; E248-L252 PolarHBondContact O-N 3.2Å; Q249-L252 PolarHBondContact O-N 3.44Å; L252-K256 WeakPolarHBondContact O-CG 3.24Å; L252-K256 PolarHBondContact O-N 2.86Å
253	Q	82.2	Confident	70	Confident	115 Å²	115	97.7 Å²	97.7	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-43.2	171.6	-73.5	178.1	12.9	0	0	111.8	Q249 K250 C251 M255 K256 R257	Q249-Q253 WeakPolarHBondContact O-CB 3.46Å; Q249-Q253 VanDerWaalsContact O-CG 3.27Å; Q249-Q253 WeakPolarHBondContact O-CG 3.45Å; Q249-Q253 PolarHBondContact O-N 3.22Å; K250-Q253 PolarHBondContact O-N 3.48Å; C251-Q253 VanDerWaalsContact C-N 3.27Å; C251-Q253 PolarHBondContact O-N 2.97Å; Q253-M255 VanDerWaalsContact C-N 3.31Å; Q253-M255 PolarHBondContact O-N 3.34Å; Q253-K256 PolarHBondContact O-N 3.4Å; Q253-K256 VanDerWaalsContact O-N 3.1Å; Q253-R257 WeakPolarHBondContact O-CB 3.23Å; Q253-R257 PolarHBondContact O-N 2.64Å
254	K	78.6	Confident	70.1	Confident	79 Å²	79	102 Å²	102	34%	0.343	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-36.7	176.2	-165	-175.3	-176	-167	0	112.1	K250 C251 K256 D258 R270 D279	K250-K254 WeakPolarHBondContact O-CB 3.42Å; K250-K254 PolarHBondContact O-N 3.36Å; C251-K254 WeakPolarHBondContact O-CB 3.12Å; C251-K254 PolarHBondContact O-N 3.21Å; C251-K254 VanDerWaalsContact O-N 3.08Å; K254-K256 VanDerWaalsContact C-N 3.33Å; K254-D258 PolarHBondContact O-N 2.86Å; K254-R270 PolarHBondContact O-NH1 3.1Å; K254-D279 WeakPolarHBondContact CE-OD1 3.37Å; K254-D279 VanDerWaalsContact NZ-CG 3.27Å; K254-D279 IonicContact NZ-OD1 3.93Å; K254-D279 PolarHBondContact NZ-OD1 3.16Å; K254-D279 IonicContact NZ-OD2 2.99Å; K254-D279 PolarHBondContact NZ-OD2 3.35Å
255	M	73.1	Confident	70.5	Confident	84 Å²	84	103.6 Å²	103.6	41%	0.414	53%	0.525	S	S	.	.	H	α-helix	trans	-68	-29	173.7	-70.6	178.2	69.6	0	0	113.4	C251 Q253 R270	C251-M255 WeakPolarHBondContact O-CG 3.49Å; C251-M255 PolarHBondContact O-N 3.01Å; Q253-M255 VanDerWaalsContact C-N 3.31Å; Q253-M255 PolarHBondContact O-N 3.34Å; M255-R270 VanDerWaalsContact CE-O 3.25Å; M255-R270 WeakPolarHBondContact CE-O 3.41Å; M255-R270 HydrophobicContact CG-CB 4.37Å; M255-R270 HydrophobicContact CG-CG 3.71Å; M255-R270 HydrophobicContact SD-CG 4.48Å
256	K	74.6	Confident	71	Confident	186 Å²	186	102.9 Å²	102.9	81%	0.809	53%	0.528	S	S	*	.	H	α-helix	trans	-87	-27.4	179	-72.8	176.1	-177.5	-179.8	0	113.5	L252 Q253 K254	L252-K256 WeakPolarHBondContact O-CG 3.24Å; L252-K256 PolarHBondContact O-N 2.86Å; Q253-K256 PolarHBondContact O-N 3.4Å; Q253-K256 VanDerWaalsContact O-N 3.1Å; K254-K256 VanDerWaalsContact C-N 3.33Å
257	R	68.8	Low	71.2	Confident	208 Å²	208	101.8 Å²	101.8	79%	0.785	52%	0.52	S	S	*	.	H	α-helix	trans	-90.1	-33.7	-170.5	-155.7	177.3	-156.1	156.3	3.6	113.3	Q253	Q253-R257 WeakPolarHBondContact O-CB 3.23Å; Q253-R257 PolarHBondContact O-N 2.64Å
258	D	63.8	Low	71.8	Confident	77 Å²	77	99.8 Å²	99.8	41%	0.412	51%	0.509	S	S	.	.	S	Bend	trans	-95.7	128.1	179.7	-62.9	-21.9	0	0	0	110.4	K254 R270	K254-D258 PolarHBondContact O-N 2.86Å; D258-R270 IonicContact OD2-CZ 2.68Å; D258-R270 IonicContact OD2-NH1 2.89Å; D258-R270 PolarHBondContact OD2-NH1 3.01Å; D258-R270 IonicContact OD2-NH2 3.74Å
259	P	61.4	Low	71.9	Confident	112 Å²	112	99.7 Å²	99.7	73%	0.727	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-67.3	143.3	170.7	26.9	-30.7	0	0	0	110.5	L261	P259-L261 PolarHBondContact O-N 3.18Å
260	A	58.8	Low	72.1	Confident	66 Å²	66	95.2 Å²	95.2	55%	0.545	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-51.4	129.6	172.7	0	0	0	0	0	110.1	N262	A260-N262 PolarHBondContact O-N 3.38Å; A260-N262 VanDerWaalsContact O-N 3.09Å
261	L	58	Low	72	Confident	86 Å²	86	91.4 Å²	91.4	45%	0.45	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60.1	117.5	-179.9	-106.9	91.5	0	0	0	110.2	P259 K263	P259-L261 PolarHBondContact O-N 3.18Å; L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 HydrophobicContact CB-CD 4.35Å; L261-K263 HydrophobicContact CB-CG 4.4Å; L261-K263 HydrophobicContact CD2-CD 3.59Å; L261-K263 HydrophobicContact CD2-CG 4.18Å; L261-K263 PolarHBondContact O-N 3.03Å
262	N	58	Low	71.8	Confident	175 Å²	175	93.6 Å²	93.6	94%	0.936	49%	0.488	S	S	*	.			trans	-65.6	92.8	168.3	-93.6	-14	0	0	0	109.2	A260	A260-N262 PolarHBondContact O-N 3.38Å; A260-N262 VanDerWaalsContact O-N 3.09Å
263	K	56.5	Low	71.3	Confident	142 Å²	142	91.9 Å²	91.9	62%	0.617	48%	0.479	S	S	*	.			trans	-130.1	138.9	175.8	-79	179.5	165.6	165.1	0	110.5	L261 A265	L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 HydrophobicContact CB-CD 4.35Å; L261-K263 HydrophobicContact CB-CG 4.4Å; L261-K263 HydrophobicContact CD2-CD 3.59Å; L261-K263 HydrophobicContact CD2-CG 4.18Å; L261-K263 PolarHBondContact O-N 3.03Å; K263-A265 PolarHBondContact O-N 3.42Å
264	T	60.8	Low	70.3	Confident	163 Å²	163	87.8 Å²	87.8	100%	1	47%	0.468	S	S	*	.	S	Bend	trans	-71.7	1.1	-175	35.4	0	0	0	0	115
265	A	69.8	Low	69.7	Low	59 Å²	59	87.5 Å²	87.5	49%	0.488	46%	0.464	S	S	.	.	S	Bend	trans	-119.8	148.1	-176.4	0	0	0	0	0	111.3	K263	K263-A265 PolarHBondContact O-N 3.42Å
266	P	78.9	Confident	69.7	Low	77 Å²	77	84.4 Å²	84.4	50%	0.5	45%	0.45	S	S	.	.			trans	-59.9	138.6	175.9	23.4	-30.2	0	0	0	110.6	A283	P266-A283 HydrophobicContact CB-CB 3.88Å; P266-A283 HydrophobicContact CG-CB 3.83Å; P266-A283 WeakPolarHBondContact O-CB 3.31Å; P266-A283 PolarHBondContact O-N 3Å
267	Y	80.8	Confident	70.1	Confident	77 Å²	77	76.7 Å²	76.7	30%	0.302	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.6	-179.7	69.7	-84.3	0	0	0	109.8	D280 T281	Y267-D280 HydrophobicContact CD2-CB 4.11Å; Y267-D280 HydrophobicContact CE2-CB 4.4Å; Y267-T281 CarbonylContact C-O 3.54Å; Y267-T281 WeakPolarHBondContact CA-O 3.49Å; Y267-T281 WeakPolarHBondContact CB-O 3.38Å
268	C	83.8	Confident	70.8	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.4	171.4	-62.8	0	0	0	0	109.5	D280 T281 C308 G312 Q313 W314	C268-D280 WeakPolarHBondContact O-CA 3.34Å; C268-T281 PolarHBondContact N-O 3.42Å; C268-T281 PolarHBondContact O-N 3.34Å; C268-C308 HydrophobicContact CB-CB 3.85Å; C268-C308 WeakPolarHBondContact CB-SG 3.37Å; C268-C308 PolarHBondContact N-SG 3.07Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.28Å; C268-C308 CovalentContact SG-SG 2.02Å; C268-C308 PolarHBondContact SG-SG 2.93Å; C268-G312 VanDerWaalsContact SG-C 3.5Å; C268-G312 PolarHBondContact SG-O 3.38Å; C268-Q313 PolarHBondContact SG-O 2.95Å; C268-Q313 VanDerWaalsContact SG-O 3.4Å; C268-W314 HydrophobicContact CB-CD2 3.71Å; C268-W314 HydrophobicContact CB-CE3 4.24Å; C268-W314 HydrophobicContact CB-CG 4.09Å; C268-W314 HydrophobicContact CB-CH2 4.27Å; C268-W314 HydrophobicContact CB-CZ2 3.72Å; C268-W314 HydrophobicContact CB-CZ3 4.5Å
269	S	81.1	Confident	71.8	Confident	74 Å²	74	66 Å²	66	52%	0.517	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.5	150.7	179.3	52.7	0	0	0	0	112.5	N271 D280 W314	S269-N271 PolarHBondContact O-N 3.49Å; S269-D280 WeakPolarHBondContact CA-OD1 3.4Å; S269-W314 PolarHBondContact O-NE1 3.26Å
270	R	84.2	Confident	73	Confident	33 Å²	33	62.9 Å²	62.9	13%	0.125	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-49.7	131.5	174.4	177.3	178.4	-69.5	145.9	3.2	111.6	K254 M255 D258 W278 D279 D280	K254-R270 PolarHBondContact O-NH1 3.1Å; M255-R270 VanDerWaalsContact CE-O 3.25Å; M255-R270 WeakPolarHBondContact CE-O 3.41Å; M255-R270 HydrophobicContact CG-CB 4.37Å; M255-R270 HydrophobicContact CG-CG 3.71Å; M255-R270 HydrophobicContact SD-CG 4.48Å; D258-R270 IonicContact OD2-CZ 2.68Å; D258-R270 IonicContact OD2-NH1 2.89Å; D258-R270 PolarHBondContact OD2-NH1 3.01Å; D258-R270 IonicContact OD2-NH2 3.74Å; R270-W278 CarbonylContact C-O 3.55Å; R270-W278 WeakPolarHBondContact CA-O 3.43Å; R270-W278 WeakPolarHBondContact CB-O 3.42Å; R270-W278 WeakPolarHBondContact CG-O 3.44Å; R270-D279 IonicContact CZ-OD1 2.7Å; R270-D279 IonicContact NE-OD1 3.84Å; R270-D279 PolarHBondContact NE-OD1 3.37Å; R270-D279 IonicContact NH2-OD1 2.75Å; R270-D279 PolarHBondContact NH2-OD1 3.42Å; R270-D280 PolarHBondContact N-OD1 3.32Å
271	N	79.2	Confident	74.1	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.2	178.7	68.5	4.4	0	0	0	113.9	S269 W278 K306 W314	S269-N271 PolarHBondContact O-N 3.49Å; N271-W278 PolarHBondContact N-O 3.39Å; N271-W278 PolarHBondContact O-N 2.96Å; N271-W278 WeakPolarHBondContact OD1-CB 3.18Å; N271-K306 PolarHBondContact ND2-NZ 2.92Å; N271-K306 VanDerWaalsContact ND2-NZ 3.2Å; N271-K306 PolarHBondContact OD1-NZ 3.17Å; N271-W314 PolarHBondContact ND2-NE1 2.89Å; N271-W314 VanDerWaalsContact ND2-NE1 3.12Å
272	W	76.2	Confident	75.4	Confident	49 Å²	49	60 Å²	60	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.8	168.7	-177.9	-114.4	0	0	0	109	V244 N247 E248 C251 G274 W275 L276 C277	V244-W272 HydrophobicContact CG1-CZ2 4.18Å; N247-W272 HydrophobicContact CB-CH2 3.97Å; N247-W272 HydrophobicContact CB-CZ3 4.37Å; E248-W272 HydrophobicContact CB-CD2 4.33Å; E248-W272 HydrophobicContact CB-CH2 4.42Å; E248-W272 HydrophobicContact CB-CZ2 3.8Å; E248-W272 HydrophobicContact CG-CD2 4.35Å; E248-W272 HydrophobicContact CG-CG 4.33Å; C251-W272 HydrophobicContact CB-CE3 3.85Å; C251-W272 HydrophobicContact CB-CZ3 4.4Å; W272-G274 VanDerWaalsContact CZ2-C 3.46Å; W272-G274 WeakPolarHBondContact CZ2-O 3.29Å; W272-W275 VanDerWaalsContact CH2-C 3.41Å; W272-W275 VanDerWaalsContact CH2-O 3.26Å; W272-W275 WeakPolarHBondContact CH2-O 3.37Å; W272-L276 VanDerWaalsContact CE3-O 3.24Å; W272-C277 HydrophobicContact CE3-CB 3.94Å; W272-C277 HydrophobicContact CZ3-CB 4.12Å
273	D	68.1	Low	76.7	Confident	40 Å²	40	53 Å²	53	21%	0.214	30%	0.301	C	S	.	.			trans	-104.2	5.5	-179.8	75.2	-9.5	0	0	0	114	W275 L276 W278 T325 Y327	D273-W275 PolarHBondContact OD1-N 3.34Å; D273-L276 PolarHBondContact N-O 2.99Å; D273-L276 PolarHBondContact OD1-N 3.21Å; D273-L276 VanDerWaalsContact OD1-O 3.05Å; D273-W278 VanDerWaalsContact CG-NE1 3.33Å; D273-W278 PolarHBondContact OD2-NE1 3.12Å; D273-T325 WeakPolarHBondContact OD2-CB 3.3Å; D273-T325 WeakPolarHBondContact OD2-CG2 3.46Å; D273-T325 PolarHBondContact OD2-OG1 3.48Å; D273-Y327 VanDerWaalsContact CG-OH 3.29Å; D273-Y327 PolarHBondContact OD1-OH 2.99Å; D273-Y327 PolarHBondContact OD2-OH 3.45Å
274	G	63	Low	77.8	Confident	30 Å²	30	47.7 Å²	47.7	31%	0.309	29%	0.287	S	S	.	.	S	Bend	trans	109.4	-31	-176.7	0	0	0	0	0	113.2	W272	W272-G274 VanDerWaalsContact CZ2-C 3.46Å; W272-G274 WeakPolarHBondContact CZ2-O 3.29Å
275	W	65.1	Low	78.9	Confident	72 Å²	72	42.6 Å²	42.6	27%	0.273	26%	0.256	S	S	.	.	S	Bend	trans	-126.7	-34.3	-176.3	-62	-8.3	0	0	0	113.3	W272 D273 P292 Y294 F295 Y327 T341	W272-W275 VanDerWaalsContact CH2-C 3.41Å; W272-W275 VanDerWaalsContact CH2-O 3.26Å; W272-W275 WeakPolarHBondContact CH2-O 3.37Å; D273-W275 PolarHBondContact OD1-N 3.34Å; W275-P292 HydrophobicContact CB-CG 4.34Å; W275-Y294 PolarHBondContact O-OH 3.3Å; W275-F295 HydrophobicContact CD2-CE2 4.47Å; W275-Y327 HydrophobicContact CE3-CD1 4.11Å; W275-Y327 HydrophobicContact CE3-CD2 4.23Å; W275-Y327 HydrophobicContact CE3-CE1 4.02Å; W275-Y327 HydrophobicContact CE3-CE2 4.12Å; W275-Y327 HydrophobicContact CE3-CG 4.23Å; W275-Y327 HydrophobicContact CZ3-CD1 4.39Å; W275-Y327 HydrophobicContact CZ3-CD2 4.39Å; W275-Y327 HydrophobicContact CZ3-CG 4.23Å; W275-T341 HydrophobicContact CH2-CG2 3.63Å; W275-T341 HydrophobicContact CZ2-CG2 4.01Å
276	L	73.6	Confident	79.5	Confident	19 Å²	19	44.7 Å²	44.7	10%	0.099	26%	0.259	C	S	.	.			trans	-129.8	151.4	-178.9	-67.3	176.7	0	0	0	112.2	W272 D273 W278 Q289 P292 A304 Y327	W272-L276 VanDerWaalsContact CE3-O 3.24Å; D273-L276 PolarHBondContact N-O 2.99Å; D273-L276 PolarHBondContact OD1-N 3.21Å; D273-L276 VanDerWaalsContact OD1-O 3.05Å; L276-W278 HydrophobicContact CD1-CZ2 4.39Å; L276-Q289 HydrophobicContact CD1-CB 4.3Å; L276-P292 HydrophobicContact CD2-CG 3.96Å; L276-P292 HydrophobicContact CG-CG 4.13Å; L276-A304 HydrophobicContact CD1-CB 3.87Å; L276-Y327 HydrophobicContact CD1-CE1 3.75Å; L276-Y327 HydrophobicContact CG-CE1 4.3Å
277	C	82.9	Confident	79.6	Confident	24 Å²	24	41.7 Å²	41.7	16%	0.162	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.3	175.7	-170.2	0	0	0	0	109.6	C251 W272 Q289	C251-C277 WeakPolarHBondContact CA-SG 3.38Å; C251-C277 HydrophobicContact CB-CB 3.53Å; C251-C277 WeakPolarHBondContact CB-SG 3.37Å; C251-C277 WeakPolarHBondContact SG-CB 3.28Å; C251-C277 CovalentContact SG-SG 2.03Å; C251-C277 PolarHBondContact SG-SG 3.46Å; W272-C277 HydrophobicContact CE3-CB 3.94Å; W272-C277 HydrophobicContact CZ3-CB 4.12Å; C277-Q289 PolarHBondContact O-NE2 2.93Å; C277-Q289 PolarHBondContact O-OE1 2.88Å
278	W	83.8	Confident	79.7	Confident	1 Å²	1	41 Å²	41	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.6	-177.4	-67	90	0	0	0	111.5	R270 N271 D273 L276 A287 Q289 A304 K306 W314 T325	R270-W278 CarbonylContact C-O 3.55Å; R270-W278 WeakPolarHBondContact CA-O 3.43Å; R270-W278 WeakPolarHBondContact CB-O 3.42Å; R270-W278 WeakPolarHBondContact CG-O 3.44Å; N271-W278 PolarHBondContact N-O 3.39Å; N271-W278 PolarHBondContact O-N 2.96Å; N271-W278 WeakPolarHBondContact OD1-CB 3.18Å; D273-W278 VanDerWaalsContact CG-NE1 3.33Å; D273-W278 PolarHBondContact OD2-NE1 3.12Å; L276-W278 HydrophobicContact CD1-CZ2 4.39Å; W278-A287 HydrophobicContact CE3-CB 3.57Å; W278-A287 HydrophobicContact CZ3-CB 3.56Å; W278-A287 WeakPolarHBondContact CZ3-O 3.39Å; W278-Q289 HydrophobicContact CE3-CG 4.49Å; W278-Q289 HydrophobicContact CH2-CB 4.38Å; W278-Q289 HydrophobicContact CZ3-CB 4.42Å; W278-Q289 HydrophobicContact CZ3-CG 4.17Å; W278-A304 HydrophobicContact CH2-CB 4.44Å; W278-A304 HydrophobicContact CZ2-CB 4.38Å; W278-K306 HydrophobicContact CD2-CB 3.96Å; W278-K306 HydrophobicContact CD2-CD 3.66Å; W278-K306 HydrophobicContact CD2-CG 4.49Å; W278-K306 HydrophobicContact CE3-CB 3.9Å; W278-K306 HydrophobicContact CE3-CD 4.33Å; W278-K306 HydrophobicContact CG-CD 3.72Å; W278-K306 HydrophobicContact CH2-CB 3.76Å; W278-K306 HydrophobicContact CZ2-CB 3.83Å; W278-K306 HydrophobicContact CZ2-CD 4.38Å; W278-K306 HydrophobicContact CZ3-CB 3.8Å; W278-W314 HydrophobicContact CB-CH2 4.31Å; W278-W314 HydrophobicContact CB-CZ2 4.07Å; W278-T325 HydrophobicContact CH2-CG2 4.37Å; W278-T325 HydrophobicContact CZ2-CG2 3.45Å; W278-T325 VanDerWaalsContact CZ2-CG2 3.45Å
279	D	85.1	Confident	79.5	Confident	60 Å²	60	43.7 Å²	43.7	32%	0.321	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-79.9	166.6	178.1	-80.2	-40.2	0	0	0	113.7	K254 R270 T281	K254-D279 WeakPolarHBondContact CE-OD1 3.37Å; K254-D279 VanDerWaalsContact NZ-CG 3.27Å; K254-D279 IonicContact NZ-OD1 3.93Å; K254-D279 PolarHBondContact NZ-OD1 3.16Å; K254-D279 IonicContact NZ-OD2 2.99Å; K254-D279 PolarHBondContact NZ-OD2 3.35Å; R270-D279 IonicContact CZ-OD1 2.7Å; R270-D279 IonicContact NE-OD1 3.84Å; R270-D279 PolarHBondContact NE-OD1 3.37Å; R270-D279 IonicContact NH2-OD1 2.75Å; R270-D279 PolarHBondContact NH2-OD1 3.42Å; D279-T281 PolarHBondContact O-N 3.04Å; D279-T281 PolarHBondContact O-OG1 3.4Å
280	D	84.6	Confident	79.4	Confident	47 Å²	47	43.9 Å²	43.9	25%	0.251	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56.9	120	177.4	-66	-31.9	0	0	0	110.7	Y267 C268 S269 R270	Y267-D280 HydrophobicContact CD2-CB 4.11Å; Y267-D280 HydrophobicContact CE2-CB 4.4Å; C268-D280 WeakPolarHBondContact O-CA 3.34Å; S269-D280 WeakPolarHBondContact CA-OD1 3.4Å; R270-D280 PolarHBondContact N-OD1 3.32Å
281	T	83.5	Confident	78.9	Confident	13 Å²	13	42.6 Å²	42.6	8%	0.08	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.7	-170.6	-60.5	0	0	0	0	110.2	Y267 C268 D279 T285 A287 C308 W314	Y267-T281 CarbonylContact C-O 3.54Å; Y267-T281 WeakPolarHBondContact CA-O 3.49Å; Y267-T281 WeakPolarHBondContact CB-O 3.38Å; C268-T281 PolarHBondContact N-O 3.42Å; C268-T281 PolarHBondContact O-N 3.34Å; D279-T281 PolarHBondContact O-N 3.04Å; D279-T281 PolarHBondContact O-OG1 3.4Å; T281-T285 VanDerWaalsContact CG2-OG1 3.27Å; T281-T285 WeakPolarHBondContact CG2-OG1 3.19Å; T281-A287 HydrophobicContact CG2-CB 4Å; T281-C308 HydrophobicContact CG2-CB 3.99Å; T281-C308 PolarHBondContact O-SG 3.47Å; T281-W314 HydrophobicContact CG2-CH2 4.37Å; T281-W314 WeakPolarHBondContact OG1-CH2 3.08Å
282	P	84.8	Confident	78.5	Confident	79 Å²	79	41.5 Å²	41.5	51%	0.513	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	143	177.4	-22.9	33.3	0	0	0	112.9	T285	P282-T285 HydrophobicContact CB-CG2 4.3Å; P282-T285 PolarHBondContact O-N 3.17Å; P282-T285 PolarHBondContact O-OG1 3.41Å
283	A	84.9	Confident	78	Confident	26 Å²	26	44.1 Å²	44.1	22%	0.215	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140	175.7	0	0	0	0	0	112	P266 A309	P266-A283 HydrophobicContact CB-CB 3.88Å; P266-A283 HydrophobicContact CG-CB 3.83Å; P266-A283 WeakPolarHBondContact O-CB 3.31Å; P266-A283 PolarHBondContact O-N 3Å; A283-A309 WeakPolarHBondContact CB-O 3.29Å
284	G	80.2	Confident	77.8	Confident	32 Å²	32	43.3 Å²	43.3	33%	0.33	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	9.4	-177.6	0	0	0	0	0	114.9	C308	G284-C308 WeakPolarHBondContact CA-O 3.42Å; G284-C308 PolarHBondContact N-O 2.91Å
285	T	84.3	Confident	77.4	Confident	56 Å²	56	44.8 Å²	44.8	34%	0.344	26%	0.26	S	S	.	.			trans	-118.7	154.5	-178.9	68.8	0	0	0	0	113.3	T281 P282 C308	T281-T285 VanDerWaalsContact CG2-OG1 3.27Å; T281-T285 WeakPolarHBondContact CG2-OG1 3.19Å; P282-T285 HydrophobicContact CB-CG2 4.3Å; P282-T285 PolarHBondContact O-N 3.17Å; P282-T285 PolarHBondContact O-OG1 3.41Å; T285-C308 PolarHBondContact O-N 3.23Å
286	L	81.9	Confident	76.8	Confident	103 Å²	103	46.4 Å²	46.4	54%	0.539	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121	175.4	-166.2	89.2	0	0	0	109.3	T305 Y307	L286-T305 HydrophobicContact CD2-CG2 3.72Å; L286-T305 HydrophobicContact CG-CG2 4.47Å; L286-Y307 HydrophobicContact CD1-CD2 4.37Å
287	A	81.4	Confident	75.7	Confident	13 Å²	13	50.5 Å²	50.5	11%	0.107	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.5	167.2	0	0	0	0	0	109.7	W278 T281 T305 K306 W314	W278-A287 HydrophobicContact CE3-CB 3.57Å; W278-A287 HydrophobicContact CZ3-CB 3.56Å; W278-A287 WeakPolarHBondContact CZ3-O 3.39Å; T281-A287 HydrophobicContact CG2-CB 4Å; A287-T305 CarbonylContact O-C 3.53Å; A287-T305 VanDerWaalsContact O-CA 3.3Å; A287-T305 WeakPolarHBondContact O-CA 3.4Å; A287-K306 PolarHBondContact N-O 2.91Å; A287-K306 PolarHBondContact O-N 2.86Å; A287-W314 HydrophobicContact CB-CH2 4.1Å; A287-W314 HydrophobicContact CB-CZ3 4.34Å
288	S	82.1	Confident	74.4	Confident	62 Å²	62	50.1 Å²	50.1	43%	0.434	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.5	176.1	60	0	0	0	0	111.4	A304	S288-A304 WeakPolarHBondContact CA-O 3.42Å
289	Q	80.1	Confident	73.5	Confident	58 Å²	58	52.6 Å²	52.6	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.9	174.7	-74	-172.3	77.4	0	0	110.9	L276 C277 W278 M303 A304	L276-Q289 HydrophobicContact CD1-CB 4.3Å; C277-Q289 PolarHBondContact O-NE2 2.93Å; C277-Q289 PolarHBondContact O-OE1 2.88Å; W278-Q289 HydrophobicContact CE3-CG 4.49Å; W278-Q289 HydrophobicContact CH2-CB 4.38Å; W278-Q289 HydrophobicContact CZ3-CB 4.42Å; W278-Q289 HydrophobicContact CZ3-CG 4.17Å; Q289-M303 CarbonylContact O-C 3.54Å; Q289-M303 VanDerWaalsContact O-CA 3.32Å; Q289-M303 WeakPolarHBondContact O-CA 3.27Å; Q289-A304 PolarHBondContact N-O 3.39Å; Q289-A304 PolarHBondContact O-N 3.38Å
290	S	78.9	Confident	72.6	Confident	78 Å²	78	53.1 Å²	53.1	55%	0.545	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	145.1	174.2	-59.7	0	0	0	0	111.4
291	C	74.4	Confident	72	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.041	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-64.2	151.6	179.3	-55.3	0	0	0	0	111.6	D293 N299 A302 C330	C291-D293 PolarHBondContact O-N 2.93Å; C291-N299 WeakPolarHBondContact CB-O 3.38Å; C291-A302 PolarHBondContact N-O 3.35Å; C291-A302 VanDerWaalsContact N-O 3.08Å; C291-A302 PolarHBondContact SG-O 3.14Å; C291-C330 HydrophobicContact CB-CB 3.63Å; C291-C330 WeakPolarHBondContact CB-SG 3.43Å; C291-C330 WeakPolarHBondContact SG-CA 3.28Å; C291-C330 WeakPolarHBondContact SG-CB 3.37Å; C291-C330 CovalentContact SG-SG 2.01Å; C291-C330 PolarHBondContact SG-SG 3.25Å
292	P	69.5	Low	71.4	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.026	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.9	130.4	179.6	-19.6	29.4	0	0	0	112.7	W275 L276 Y294 F295 L298	W275-P292 HydrophobicContact CB-CG 4.34Å; L276-P292 HydrophobicContact CD2-CG 3.96Å; L276-P292 HydrophobicContact CG-CG 4.13Å; P292-Y294 VanDerWaalsContact C-N 3.31Å; P292-Y294 HydrophobicContact CB-CD1 4.06Å; P292-Y294 HydrophobicContact CB-CD2 4.46Å; P292-Y294 HydrophobicContact CB-CE1 3.56Å; P292-Y294 HydrophobicContact CB-CE2 3.97Å; P292-Y294 HydrophobicContact CB-CG 4.49Å; P292-Y294 PolarHBondContact O-N 3.36Å; P292-F295 HydrophobicContact CB-CD2 4.15Å; P292-F295 HydrophobicContact CB-CE2 4.49Å; P292-L298 HydrophobicContact CB-CD1 4.33Å; P292-L298 HydrophobicContact CG-CD1 4.21Å
293	D	65.9	Low	70.8	Confident	103 Å²	103	57.6 Å²	57.6	55%	0.551	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	0.4	-176.5	72.8	-25.1	0	0	0	114.1	K243 C291 P300	K243-D293 WeakPolarHBondContact CE-OD1 3.41Å; K243-D293 IonicContact NZ-OD1 3.8Å; K243-D293 PolarHBondContact NZ-OD1 3.41Å; K243-D293 IonicContact NZ-OD2 3.81Å; K243-D293 PolarHBondContact NZ-OD2 2.92Å; C291-D293 PolarHBondContact O-N 2.93Å; D293-P300 HydrophobicContact CB-CB 4.35Å
294	Y	63	Low	70.4	Confident	23 Å²	23	56.3 Å²	56.3	9%	0.09	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.2	-168.9	55	-105	0	0	0	114	A240 K243 V244 N247 W275 P292	A240-Y294 HydrophobicContact CB-CD2 4.49Å; A240-Y294 WeakPolarHBondContact CB-O 3.25Å; K243-Y294 HydrophobicContact CB-CD1 4.48Å; K243-Y294 HydrophobicContact CB-CG 4.18Å; K243-Y294 HydrophobicContact CD-CD1 4.23Å; K243-Y294 HydrophobicContact CD-CG 4.2Å; K243-Y294 HydrophobicContact CG-CD1 3.92Å; K243-Y294 HydrophobicContact CG-CG 4.02Å; V244-Y294 HydrophobicContact CB-CE2 4.42Å; V244-Y294 HydrophobicContact CG2-CD2 3.94Å; V244-Y294 HydrophobicContact CG2-CE2 3.16Å; N247-Y294 WeakPolarHBondContact ND2-CE1 3.23Å; W275-Y294 PolarHBondContact O-OH 3.3Å; P292-Y294 VanDerWaalsContact C-N 3.31Å; P292-Y294 HydrophobicContact CB-CD1 4.06Å; P292-Y294 HydrophobicContact CB-CD2 4.46Å; P292-Y294 HydrophobicContact CB-CE1 3.56Å; P292-Y294 HydrophobicContact CB-CE2 3.97Å; P292-Y294 HydrophobicContact CB-CG 4.49Å; P292-Y294 PolarHBondContact O-N 3.36Å
295	F	55.6	Low	70.2	Confident	62 Å²	62	56 Å²	56	27%	0.272	33%	0.326	S	S	.	.	S	Bend	trans	-104.4	127.1	164	-64.8	-72	0	0	0	107.9	A240 V244 W275 P292 D297 L298	A240-F295 HydrophobicContact CB-CD1 4.19Å; A240-F295 HydrophobicContact CB-CE1 4.25Å; V244-F295 HydrophobicContact CG2-CZ 4.05Å; W275-F295 HydrophobicContact CD2-CE2 4.47Å; P292-F295 HydrophobicContact CB-CD2 4.15Å; P292-F295 HydrophobicContact CB-CE2 4.49Å; F295-D297 PolarHBondContact O-N 3.45Å; F295-D297 VanDerWaalsContact O-N 3.14Å; F295-L298 HydrophobicContact CB-CB 4.37Å; F295-L298 HydrophobicContact CB-CD1 3.9Å; F295-L298 HydrophobicContact CB-CG 3.91Å; F295-L298 HydrophobicContact CD2-CD1 3.56Å; F295-L298 HydrophobicContact CD2-CG 4.46Å; F295-L298 HydrophobicContact CE2-CD1 4.45Å; F295-L298 HydrophobicContact CG-CD1 4.1Å; F295-L298 PolarHBondContact O-N 2.93Å
296	S	51.4	Low	70	Confident	105 Å²	105	53.4 Å²	53.4	73%	0.734	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.4	178	47.3	0	0	0	0	113.5
297	D	50.8	Low	69.9	Low	106 Å²	106	52.3 Å²	52.3	57%	0.567	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	3.8	-168.6	-45.9	-28.2	0	0	0	113.1	F295 I337	F295-D297 PolarHBondContact O-N 3.45Å; F295-D297 VanDerWaalsContact O-N 3.14Å; D297-I337 HydrophobicContact CB-CD1 4Å
298	L	56.2	Low	70	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.079	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-107.5	144	177.1	-64.9	-179.7	0	0	0	110.9	P292 F295 P300 C330 I331	P292-L298 HydrophobicContact CB-CD1 4.33Å; P292-L298 HydrophobicContact CG-CD1 4.21Å; F295-L298 HydrophobicContact CB-CB 4.37Å; F295-L298 HydrophobicContact CB-CD1 3.9Å; F295-L298 HydrophobicContact CB-CG 3.91Å; F295-L298 HydrophobicContact CD2-CD1 3.56Å; F295-L298 HydrophobicContact CD2-CG 4.46Å; F295-L298 HydrophobicContact CE2-CD1 4.45Å; F295-L298 HydrophobicContact CG-CD1 4.1Å; F295-L298 PolarHBondContact O-N 2.93Å; L298-P300 WeakPolarHBondContact O-CD 3.43Å; L298-C330 WeakPolarHBondContact CA-O 3.49Å; L298-C330 HydrophobicContact CD2-CB 4.25Å; L298-C330 VanDerWaalsContact CD2-O 3.31Å; L298-C330 WeakPolarHBondContact CD2-O 3.46Å; L298-I331 HydrophobicContact CD2-CG1 4.17Å
299	N	64.4	Low	69.9	Low	53 Å²	53	49.8 Å²	49.8	28%	0.283	28%	0.282	S	S	.	.			trans	-84	108.5	175.3	-173.5	-15.7	0	0	0	110.4	C291 T301 A302 C330	C291-N299 WeakPolarHBondContact CB-O 3.38Å; N299-T301 PolarHBondContact ND2-OG1 3.03Å; N299-T301 PolarHBondContact O-N 3.34Å; N299-T301 VanDerWaalsContact O-N 3.15Å; N299-T301 WeakPolarHBondContact OD1-CB 3.21Å; N299-T301 PolarHBondContact OD1-N 3.48Å; N299-T301 PolarHBondContact OD1-OG1 3.41Å; N299-A302 HydrophobicContact CB-CB 4.49Å; N299-A302 PolarHBondContact O-N 3.25Å; N299-C330 PolarHBondContact N-O 3.4Å
300	P	67.1	Low	70.1	Confident	71 Å²	71	54.5 Å²	54.5	46%	0.461	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11	-176.5	30.6	-36.3	0	0	0	113.4	D293 L298	D293-P300 HydrophobicContact CB-CB 4.35Å; L298-P300 WeakPolarHBondContact O-CD 3.43Å
301	T	70.6	Confident	70.2	Confident	120 Å²	120	55.8 Å²	55.8	74%	0.736	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.2	177.8	66.9	0	0	0	0	113.5	N299	N299-T301 PolarHBondContact ND2-OG1 3.03Å; N299-T301 PolarHBondContact O-N 3.34Å; N299-T301 VanDerWaalsContact O-N 3.15Å; N299-T301 WeakPolarHBondContact OD1-CB 3.21Å; N299-T301 PolarHBondContact OD1-N 3.48Å; N299-T301 PolarHBondContact OD1-OG1 3.41Å
302	A	71.6	Confident	70.4	Confident	18 Å²	18	56.3 Å²	56.3	15%	0.149	31%	0.312	C	S	.	.	S	Bend	trans	-85.5	171.4	175.8	0	0	0	0	0	112.3	C291 N299 L329	C291-A302 PolarHBondContact N-O 3.35Å; C291-A302 VanDerWaalsContact N-O 3.08Å; C291-A302 PolarHBondContact SG-O 3.14Å; N299-A302 HydrophobicContact CB-CB 4.49Å; N299-A302 PolarHBondContact O-N 3.25Å; A302-L329 HydrophobicContact CB-CB 4.4Å; A302-L329 WeakPolarHBondContact CB-O 3.49Å
303	M	72.8	Confident	71	Confident	95 Å²	95	60.7 Å²	60.7	47%	0.468	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.9	179.3	-63.7	-151.6	-63.9	0	0	112.6	Q289	Q289-M303 CarbonylContact O-C 3.54Å; Q289-M303 VanDerWaalsContact O-CA 3.32Å; Q289-M303 WeakPolarHBondContact O-CA 3.27Å
304	A	75.6	Confident	71.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	146.7	164.5	0	0	0	0	0	109.9	L276 W278 S288 Q289 N326 Y327	L276-A304 HydrophobicContact CD1-CB 3.87Å; W278-A304 HydrophobicContact CH2-CB 4.44Å; W278-A304 HydrophobicContact CZ2-CB 4.38Å; S288-A304 WeakPolarHBondContact CA-O 3.42Å; Q289-A304 PolarHBondContact N-O 3.39Å; Q289-A304 PolarHBondContact O-N 3.38Å; A304-N326 WeakPolarHBondContact CA-O 3.36Å; A304-Y327 HydrophobicContact CB-CD1 3.55Å; A304-Y327 HydrophobicContact CB-CE1 3.47Å; A304-Y327 VanDerWaalsContact CB-CE1 3.47Å; A304-Y327 HydrophobicContact CB-CG 4.43Å
305	T	76.3	Confident	72.3	Confident	25 Å²	25	59.6 Å²	59.6	15%	0.153	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.4	-178.3	58.1	0	0	0	0	113.1	L286 A287 N326	L286-T305 HydrophobicContact CD2-CG2 3.72Å; L286-T305 HydrophobicContact CG-CG2 4.47Å; A287-T305 CarbonylContact O-C 3.53Å; A287-T305 VanDerWaalsContact O-CA 3.3Å; A287-T305 WeakPolarHBondContact O-CA 3.4Å; T305-N326 PolarHBondContact N-O 3.25Å; T305-N326 WeakPolarHBondContact O-CB 3.45Å; T305-N326 PolarHBondContact O-N 3.37Å; T305-N326 WeakPolarHBondContact OG1-CB 3.42Å
306	K	79.6	Confident	73.2	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.4	-178.9	-161.1	177.1	-175.1	168.8	0	110.5	N271 W278 A287 W314 T325	N271-K306 PolarHBondContact ND2-NZ 2.92Å; N271-K306 VanDerWaalsContact ND2-NZ 3.2Å; N271-K306 PolarHBondContact OD1-NZ 3.17Å; W278-K306 HydrophobicContact CD2-CB 3.96Å; W278-K306 HydrophobicContact CD2-CD 3.66Å; W278-K306 HydrophobicContact CD2-CG 4.49Å; W278-K306 HydrophobicContact CE3-CB 3.9Å; W278-K306 HydrophobicContact CE3-CD 4.33Å; W278-K306 HydrophobicContact CG-CD 3.72Å; W278-K306 HydrophobicContact CH2-CB 3.76Å; W278-K306 HydrophobicContact CZ2-CB 3.83Å; W278-K306 HydrophobicContact CZ2-CD 4.38Å; W278-K306 HydrophobicContact CZ3-CB 3.8Å; A287-K306 PolarHBondContact N-O 2.91Å; A287-K306 PolarHBondContact O-N 2.86Å; K306-W314 HydrophobicContact CB-CE3 4.33Å; K306-W314 HydrophobicContact CB-CZ3 3.9Å; K306-W314 HydrophobicContact CD-CD2 4.02Å; K306-W314 HydrophobicContact CD-CE3 3.59Å; K306-W314 HydrophobicContact CD-CH2 4.22Å; K306-W314 HydrophobicContact CD-CZ3 3.7Å; K306-W314 HydrophobicContact CG-CD2 4.4Å; K306-W314 HydrophobicContact CG-CE3 3.53Å; K306-W314 HydrophobicContact CG-CZ3 3.62Å; K306-T325 HydrophobicContact CB-CG2 4.4Å
307	Y	80.6	Confident	73.6	Confident	81 Å²	81	61.8 Å²	61.8	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	-176	-177.1	-112	0	0	0	112.2	L286 A309 F315	L286-Y307 HydrophobicContact CD1-CD2 4.37Å; Y307-A309 HydrophobicContact CE1-CB 4.26Å; Y307-F315 HydrophobicContact CD1-CB 4.27Å; Y307-F315 PolarHBondContact O-N 3.19Å; Y307-F315 VanDerWaalsContact O-N 3.07Å
308	C	83.8	Confident	73.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-95	116.5	170.1	-177.8	0	0	0	0	109.5	C268 T281 G284 T285 W314	C268-C308 HydrophobicContact CB-CB 3.85Å; C268-C308 WeakPolarHBondContact CB-SG 3.37Å; C268-C308 PolarHBondContact N-SG 3.07Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.28Å; C268-C308 CovalentContact SG-SG 2.02Å; C268-C308 PolarHBondContact SG-SG 2.93Å; T281-C308 HydrophobicContact CG2-CB 3.99Å; T281-C308 PolarHBondContact O-SG 3.47Å; G284-C308 WeakPolarHBondContact CA-O 3.42Å; G284-C308 PolarHBondContact N-O 2.91Å; T285-C308 PolarHBondContact O-N 3.23Å; C308-W314 HydrophobicContact CB-CE3 4.32Å; C308-W314 HydrophobicContact CB-CZ3 4.16Å
309	A	79.9	Confident	73.3	Confident	22 Å²	22	65.9 Å²	65.9	18%	0.182	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70.9	162.4	-179.2	0	0	0	0	0	111.9	A283 Y307 D311 G312 Q313	A283-A309 WeakPolarHBondContact CB-O 3.29Å; Y307-A309 HydrophobicContact CE1-CB 4.26Å; A309-D311 VanDerWaalsContact CB-OD1 3.25Å; A309-D311 WeakPolarHBondContact CB-OD1 3.4Å; A309-D311 PolarHBondContact O-N 3.49Å; A309-G312 PolarHBondContact O-N 3.5Å; A309-Q313 WeakPolarHBondContact CB-O 3.36Å; A309-Q313 PolarHBondContact N-O 3.5Å
310	E	83.9	Confident	72.6	Confident	156 Å²	156	66.9 Å²	66.9	73%	0.729	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.4	-176.4	-64.8	-177.4	177.2	0	0	113.1	G312	E310-G312 PolarHBondContact O-N 2.82Å
311	D	81.6	Confident	72.2	Confident	106 Å²	106	65.6 Å²	65.6	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	0.3	175.7	68.3	-9.8	0	0	0	113.7	A309 Q313	A309-D311 VanDerWaalsContact CB-OD1 3.25Å; A309-D311 WeakPolarHBondContact CB-OD1 3.4Å; A309-D311 PolarHBondContact O-N 3.49Å; D311-Q313 VanDerWaalsContact C-N 3.35Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.32Å; D311-Q313 PolarHBondContact OD1-N 2.95Å
312	G	78.3	Confident	71.7	Confident	17 Å²	17	63.7 Å²	63.7	18%	0.175	36%	0.355	C	S	.	.	S	Bend	trans	78.2	15.2	-177.1	0	0	0	0	0	114.1	C268 A309 E310	C268-G312 VanDerWaalsContact SG-C 3.5Å; C268-G312 PolarHBondContact SG-O 3.38Å; A309-G312 PolarHBondContact O-N 3.5Å; E310-G312 PolarHBondContact O-N 2.82Å
313	Q	82.2	Confident	71.4	Confident	95 Å²	95	65.3 Å²	65.3	44%	0.444	36%	0.363	S	S	.	.			trans	-105.8	145.1	173	-59.8	-159.2	16.9	0	0	112.8	C268 A309 D311 F315	C268-Q313 PolarHBondContact SG-O 2.95Å; C268-Q313 VanDerWaalsContact SG-O 3.4Å; A309-Q313 WeakPolarHBondContact CB-O 3.36Å; A309-Q313 PolarHBondContact N-O 3.5Å; D311-Q313 VanDerWaalsContact C-N 3.35Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.32Å; D311-Q313 PolarHBondContact OD1-N 2.95Å; Q313-F315 PolarHBondContact O-N 2.94Å
314	W	80.6	Confident	71	Confident	17 Å²	17	65.6 Å²	65.6	6%	0.064	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-64.8	135.8	171.2	-71	107.7	0	0	0	110.5	C268 S269 N271 W278 T281 A287 K306 C308 R316 T323	C268-W314 HydrophobicContact CB-CD2 3.71Å; C268-W314 HydrophobicContact CB-CE3 4.24Å; C268-W314 HydrophobicContact CB-CG 4.09Å; C268-W314 HydrophobicContact CB-CH2 4.27Å; C268-W314 HydrophobicContact CB-CZ2 3.72Å; C268-W314 HydrophobicContact CB-CZ3 4.5Å; S269-W314 PolarHBondContact O-NE1 3.26Å; N271-W314 PolarHBondContact ND2-NE1 2.89Å; N271-W314 VanDerWaalsContact ND2-NE1 3.12Å; W278-W314 HydrophobicContact CB-CH2 4.31Å; W278-W314 HydrophobicContact CB-CZ2 4.07Å; T281-W314 HydrophobicContact CG2-CH2 4.37Å; T281-W314 WeakPolarHBondContact OG1-CH2 3.08Å; A287-W314 HydrophobicContact CB-CH2 4.1Å; A287-W314 HydrophobicContact CB-CZ3 4.34Å; K306-W314 HydrophobicContact CB-CE3 4.33Å; K306-W314 HydrophobicContact CB-CZ3 3.9Å; K306-W314 HydrophobicContact CD-CD2 4.02Å; K306-W314 HydrophobicContact CD-CE3 3.59Å; K306-W314 HydrophobicContact CD-CH2 4.22Å; K306-W314 HydrophobicContact CD-CZ3 3.7Å; K306-W314 HydrophobicContact CG-CD2 4.4Å; K306-W314 HydrophobicContact CG-CE3 3.53Å; K306-W314 HydrophobicContact CG-CZ3 3.62Å; C308-W314 HydrophobicContact CB-CE3 4.32Å; C308-W314 HydrophobicContact CB-CZ3 4.16Å; W314-R316 WeakPolarHBondContact O-CG 3.36Å; W314-R316 PolarHBondContact O-N 3.5Å; W314-T323 HydrophobicContact CB-CG2 3.87Å
315	F	76.3	Confident	70.7	Confident	86 Å²	86	66.4 Å²	66.4	38%	0.377	37%	0.365	S	S	.	.			trans	-54.7	132.5	178.7	-176.1	-98.2	0	0	0	111.6	Y307 Q313 T323 W324	Y307-F315 HydrophobicContact CD1-CB 4.27Å; Y307-F315 PolarHBondContact O-N 3.19Å; Y307-F315 VanDerWaalsContact O-N 3.07Å; Q313-F315 PolarHBondContact O-N 2.94Å; F315-T323 CarbonylContact O-C 3.6Å; F315-T323 WeakPolarHBondContact O-CA 3.23Å; F315-W324 HydrophobicContact CD1-CB 4.2Å; F315-W324 HydrophobicContact CD1-CD2 4.48Å; F315-W324 AromaticContact CD1-CE3 3.89Å; F315-W324 HydrophobicContact CD1-CE3 3.89Å; F315-W324 HydrophobicContact CE1-CE3 4.26Å; F315-W324 PolarHBondContact O-N 2.92Å
316	R	73.9	Confident	70.2	Confident	138 Å²	138	67.3 Å²	67.3	52%	0.521	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-113.7	140	-179.3	-57.9	-174.4	-169.5	-159.6	8	110.4	W314 V322 T323	W314-R316 WeakPolarHBondContact O-CG 3.36Å; W314-R316 PolarHBondContact O-N 3.5Å; R316-V322 CarbonylContact C-O 3.58Å; R316-V322 VanDerWaalsContact CA-O 3.3Å; R316-V322 WeakPolarHBondContact CA-O 3.42Å; R316-T323 HydrophobicContact CG-CG2 4.28Å
317	H	59.7	Low	69.3	Low	75 Å²	75	68.7 Å²	68.7	35%	0.347	37%	0.374	S	S	.	.			trans	-68.7	131.4	-178.8	-173.5	-95.6	0	0	0	111.1	A319 S320 G321 V322 W324	H317-A319 VanDerWaalsContact C-N 3.26Å; H317-A319 PolarHBondContact ND1-N 3.38Å; H317-A319 PolarHBondContact O-N 3.43Å; H317-A319 VanDerWaalsContact O-N 3.16Å; H317-S320 WeakPolarHBondContact CB-OG 3.48Å; H317-S320 PolarHBondContact O-N 3.36Å; H317-G321 PolarHBondContact O-N 2.95Å; H317-V322 PolarHBondContact N-O 3.39Å; H317-W324 HydrophobicContact CB-CB 4.25Å
318	P	54.6	Low	68.3	Low	118 Å²	118	69.7 Å²	69.7	77%	0.766	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.4	-173.2	-23.3	31.7	0	0	0	114.8
319	A	46.2	Very low	67.1	Low	90 Å²	90	75.3 Å²	75.3	74%	0.744	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.6	-176	0	0	0	0	0	114.6	H317	H317-A319 VanDerWaalsContact C-N 3.26Å; H317-A319 PolarHBondContact ND1-N 3.38Å; H317-A319 PolarHBondContact O-N 3.43Å; H317-A319 VanDerWaalsContact O-N 3.16Å
320	S	49.8	Very low	66	Low	73 Å²	73	74.3 Å²	74.3	51%	0.51	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-15.3	-173.5	61.2	0	0	0	0	114	H317 V322	H317-S320 WeakPolarHBondContact CB-OG 3.48Å; H317-S320 PolarHBondContact O-N 3.36Å; S320-V322 PolarHBondContact O-N 2.98Å; S320-V322 VanDerWaalsContact O-N 3.15Å
321	G	59.2	Low	64.5	Low	45 Å²	45	68.9 Å²	68.9	46%	0.464	39%	0.385	S	S	.	.			trans	70.5	3.4	177.5	0	0	0	0	0	115.3	H317	H317-G321 PolarHBondContact O-N 2.95Å
322	V	59.2	Low	63.2	Low	79 Å²	79	68.8 Å²	68.8	48%	0.479	39%	0.385	S	S	.	.	S	Bend	trans	-90.8	147.2	178	-174.3	0	0	0	0	109.6	R316 H317 S320 W324	R316-V322 CarbonylContact C-O 3.58Å; R316-V322 VanDerWaalsContact CA-O 3.3Å; R316-V322 WeakPolarHBondContact CA-O 3.42Å; H317-V322 PolarHBondContact N-O 3.39Å; S320-V322 PolarHBondContact O-N 2.98Å; S320-V322 VanDerWaalsContact O-N 3.15Å; V322-W324 PolarHBondContact O-N 3.25Å
323	T	65	Low	61.4	Low	52 Å²	52	75.8 Å²	75.8	32%	0.319	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-57.6	129.2	173	51.8	0	0	0	0	110.1	W314 F315 R316	W314-T323 HydrophobicContact CB-CG2 3.87Å; F315-T323 CarbonylContact O-C 3.6Å; F315-T323 WeakPolarHBondContact O-CA 3.23Å; R316-T323 HydrophobicContact CG-CG2 4.28Å
324	W	65.3	Low	59.4	Low	102 Å²	102	77.4 Å²	77.4	39%	0.386	43%	0.429	S	S	.	.			trans	-105.1	140.5	-172.8	177.8	82.9	0	0	0	111.5	F315 H317 V322 N326	F315-W324 HydrophobicContact CD1-CB 4.2Å; F315-W324 HydrophobicContact CD1-CD2 4.48Å; F315-W324 AromaticContact CD1-CE3 3.89Å; F315-W324 HydrophobicContact CD1-CE3 3.89Å; F315-W324 HydrophobicContact CE1-CE3 4.26Å; F315-W324 PolarHBondContact O-N 2.92Å; H317-W324 HydrophobicContact CB-CB 4.25Å; V322-W324 PolarHBondContact O-N 3.25Å; W324-N326 HydrophobicContact CH2-CB 3.41Å; W324-N326 VanDerWaalsContact CH2-CB 3.41Å; W324-N326 HydrophobicContact CZ2-CB 3.86Å; W324-N326 HydrophobicContact CZ3-CB 3.85Å
325	T	68.5	Low	57.4	Low	17 Å²	17	81 Å²	81	10%	0.104	45%	0.449	C	S	.	.			trans	-125.6	137.1	173.7	-56.6	0	0	0	0	108.4	D273 W278 K306 Y327	D273-T325 WeakPolarHBondContact OD2-CB 3.3Å; D273-T325 WeakPolarHBondContact OD2-CG2 3.46Å; D273-T325 PolarHBondContact OD2-OG1 3.48Å; W278-T325 HydrophobicContact CH2-CG2 4.37Å; W278-T325 HydrophobicContact CZ2-CG2 3.45Å; W278-T325 VanDerWaalsContact CZ2-CG2 3.45Å; K306-T325 HydrophobicContact CB-CG2 4.4Å; T325-Y327 HydrophobicContact CG2-CD2 3.85Å; T325-Y327 HydrophobicContact CG2-CE1 4.36Å; T325-Y327 HydrophobicContact CG2-CE2 3.32Å
326	N	65.7	Low	55.6	Low	43 Å²	43	84 Å²	84	23%	0.23	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-89.6	106.2	177.9	-170.2	-14.3	0	0	0	110.8	A304 T305 W324 T328	A304-N326 WeakPolarHBondContact CA-O 3.36Å; T305-N326 PolarHBondContact N-O 3.25Å; T305-N326 WeakPolarHBondContact O-CB 3.45Å; T305-N326 PolarHBondContact O-N 3.37Å; T305-N326 WeakPolarHBondContact OG1-CB 3.42Å; W324-N326 HydrophobicContact CH2-CB 3.41Å; W324-N326 VanDerWaalsContact CH2-CB 3.41Å; W324-N326 HydrophobicContact CZ2-CB 3.86Å; W324-N326 HydrophobicContact CZ3-CB 3.85Å; N326-T328 WeakPolarHBondContact OD1-CB 3.3Å; N326-T328 PolarHBondContact OD1-N 3.28Å; N326-T328 PolarHBondContact OD1-OG1 3.02Å
327	Y	61.2	Low	53.9	Low	30 Å²	30	79.1 Å²	79.1	12%	0.118	45%	0.448	C	S	.	.			trans	-102.9	10.4	173.9	-70.8	-79.4	0	0	0	112.9	D273 W275 L276 A304 T325 L329 C330	D273-Y327 VanDerWaalsContact CG-OH 3.29Å; D273-Y327 PolarHBondContact OD1-OH 2.99Å; D273-Y327 PolarHBondContact OD2-OH 3.45Å; W275-Y327 HydrophobicContact CE3-CD1 4.11Å; W275-Y327 HydrophobicContact CE3-CD2 4.23Å; W275-Y327 HydrophobicContact CE3-CE1 4.02Å; W275-Y327 HydrophobicContact CE3-CE2 4.12Å; W275-Y327 HydrophobicContact CE3-CG 4.23Å; W275-Y327 HydrophobicContact CZ3-CD1 4.39Å; W275-Y327 HydrophobicContact CZ3-CD2 4.39Å; W275-Y327 HydrophobicContact CZ3-CG 4.23Å; L276-Y327 HydrophobicContact CD1-CE1 3.75Å; L276-Y327 HydrophobicContact CG-CE1 4.3Å; A304-Y327 HydrophobicContact CB-CD1 3.55Å; A304-Y327 HydrophobicContact CB-CE1 3.47Å; A304-Y327 VanDerWaalsContact CB-CE1 3.47Å; A304-Y327 HydrophobicContact CB-CG 4.43Å; T325-Y327 HydrophobicContact CG2-CD2 3.85Å; T325-Y327 HydrophobicContact CG2-CE1 4.36Å; T325-Y327 HydrophobicContact CG2-CE2 3.32Å; Y327-L329 PolarHBondContact O-N 2.94Å; Y327-L329 VanDerWaalsContact O-N 3.13Å; Y327-C330 HydrophobicContact CD1-CB 4.37Å; Y327-C330 VanDerWaalsContact O-CB 3.3Å; Y327-C330 WeakPolarHBondContact O-CB 3.25Å; Y327-C330 PolarHBondContact O-N 3.32Å
328	T	59.4	Low	52.6	Low	102 Å²	102	81.2 Å²	81.2	63%	0.626	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.4	-173.6	-59.4	0	0	0	0	112.9	N326	N326-T328 WeakPolarHBondContact OD1-CB 3.3Å; N326-T328 PolarHBondContact OD1-N 3.28Å; N326-T328 PolarHBondContact OD1-OG1 3.02Å
329	L	58.8	Low	51.5	Low	119 Å²	119	83.7 Å²	83.7	62%	0.623	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.1	177.8	-62	175.6	0	0	0	113.5	A302 Y327	A302-L329 HydrophobicContact CB-CB 4.4Å; A302-L329 WeakPolarHBondContact CB-O 3.49Å; Y327-L329 PolarHBondContact O-N 2.94Å; Y327-L329 VanDerWaalsContact O-N 3.13Å
330	C	56.6	Low	50.8	Low	0 Å²	0	82.2 Å²	82.2	0%	0	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.6	179.9	-62.9	0	0	0	0	113.6	C291 L298 N299 Y327	C291-C330 HydrophobicContact CB-CB 3.63Å; C291-C330 WeakPolarHBondContact CB-SG 3.43Å; C291-C330 WeakPolarHBondContact SG-CA 3.28Å; C291-C330 WeakPolarHBondContact SG-CB 3.37Å; C291-C330 CovalentContact SG-SG 2.01Å; C291-C330 PolarHBondContact SG-SG 3.25Å; L298-C330 WeakPolarHBondContact CA-O 3.49Å; L298-C330 HydrophobicContact CD2-CB 4.25Å; L298-C330 VanDerWaalsContact CD2-O 3.31Å; L298-C330 WeakPolarHBondContact CD2-O 3.46Å; N299-C330 PolarHBondContact N-O 3.4Å; Y327-C330 HydrophobicContact CD1-CB 4.37Å; Y327-C330 VanDerWaalsContact O-CB 3.3Å; Y327-C330 WeakPolarHBondContact O-CB 3.25Å; Y327-C330 PolarHBondContact O-N 3.32Å
331	I	53.6	Low	49.9	Very low	42 Å²	42	82.3 Å²	82.3	22%	0.215	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-92.1	117	-176.2	-61.7	167.4	0	0	0	107	L298 I337	L298-I331 HydrophobicContact CD2-CG1 4.17Å; I331-I337 HydrophobicContact CD1-CG2 4.01Å; I331-I337 HydrophobicContact CG1-CG2 4.21Å; I331-I337 HydrophobicContact CG2-CB 4.2Å; I331-I337 HydrophobicContact CG2-CD1 4.34Å
332	D	52.9	Low	48.6	Very low	105 Å²	105	83.9 Å²	83.9	56%	0.561	45%	0.45	S	S	*	.			trans	-67.9	147.1	167	-135.8	-25.9	0	0	0	108.1	N334	D332-N334 PolarHBondContact O-N 2.89Å
333	D	41.7	Very low	47.3	Very low	164 Å²	164	87.6 Å²	87.6	88%	0.877	46%	0.462	S	S	*	.	S	Bend	trans	-55.3	16.6	-162.7	-101.9	-23.7	0	0	0	117.8	L335	D333-L335 PolarHBondContact O-N 2.96Å
334	N	38.6	Very low	45.6	Very low	128 Å²	128	95.1 Å²	95.1	68%	0.684	49%	0.49	S	S	*	.			trans	-76.5	96.6	164.5	-84	-31.1	0	0	0	111.5	D332 E336	D332-N334 PolarHBondContact O-N 2.89Å; N334-E336 PolarHBondContact O-N 3.31Å
335	L	40.3	Very low	43.8	Very low	92 Å²	92	94.9 Å²	94.9	48%	0.482	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-0.4	179	-163.7	66.1	0	0	0	116.2	D333 I337 L338	D333-L335 PolarHBondContact O-N 2.96Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 2.95Å; L335-L338 HydrophobicContact CD1-CD1 3.72Å
336	E	37.5	Very low	42.1	Very low	151 Å²	151	104.9 Å²	104.9	71%	0.706	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-23	177.5	-69.3	-152.9	152.5	0	0	113.7	N334 L338 R339	N334-E336 PolarHBondContact O-N 3.31Å; E336-L338 VanDerWaalsContact C-N 3.35Å; E336-L338 PolarHBondContact O-N 3.3Å; E336-R339 PolarHBondContact O-N 3.42Å
337	I	38.2	Very low	40.5	Very low	34 Å²	34	109.8 Å²	109.8	17%	0.174	57%	0.566	C	S	.	*	H	α-helix	trans	-79.1	-17.4	-175.5	-61.3	177.4	0	0	0	112.9	D297 I331 L335 R339 A340 T341	D297-I337 HydrophobicContact CB-CD1 4Å; I331-I337 HydrophobicContact CD1-CG2 4.01Å; I331-I337 HydrophobicContact CG1-CG2 4.21Å; I331-I337 HydrophobicContact CG2-CB 4.2Å; I331-I337 HydrophobicContact CG2-CD1 4.34Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 2.95Å; I337-R339 PolarHBondContact O-N 3.46Å; I337-A340 PolarHBondContact O-N 2.8Å; I337-T341 PolarHBondContact O-N 3.21Å; I337-T341 PolarHBondContact O-OG1 2.9Å
338	L	33.1	Very low	38.8	Very low	119 Å²	119	114.4 Å²	114.4	62%	0.623	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-17.5	174.1	-100.1	157.8	0	0	0	113.2	L335 E336	L335-L338 HydrophobicContact CD1-CD1 3.72Å; E336-L338 VanDerWaalsContact C-N 3.35Å; E336-L338 PolarHBondContact O-N 3.3Å
339	R	31.4	Very low	37.5	Very low	171 Å²	171	119 Å²	119	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-92	-32.7	173.4	-73	-176.4	-179.5	174.4	2	113.1	E336 I337 T341 A342	E336-R339 PolarHBondContact O-N 3.42Å; I337-R339 PolarHBondContact O-N 3.46Å; R339-T341 VanDerWaalsContact C-N 3.34Å; R339-T341 PolarHBondContact O-N 2.8Å; R339-A342 PolarHBondContact O-N 3.47Å
340	A	30.2	Very low	35.9	Very low	58 Å²	58	118.5 Å²	118.5	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-72.4	-25.2	-179.2	0	0	0	0	0	113.6	I337	I337-A340 PolarHBondContact O-N 2.8Å
341	T	32.4	Very low	34.7	Very low	76 Å²	76	125.9 Å²	125.9	47%	0.466	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-9.3	178.6	35.9	0	0	0	0	114.3	W275 I337 R339	W275-T341 HydrophobicContact CH2-CG2 3.63Å; W275-T341 HydrophobicContact CZ2-CG2 4.01Å; I337-T341 PolarHBondContact O-N 3.21Å; I337-T341 PolarHBondContact O-OG1 2.9Å; R339-T341 VanDerWaalsContact C-N 3.34Å; R339-T341 PolarHBondContact O-N 2.8Å
342	A	31.2	Very low	33.4	Very low	78 Å²	78	130.9 Å²	130.9	65%	0.645	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-5.5	175.5	0	0	0	0	0	114.1	R339	R339-A342 PolarHBondContact O-N 3.47Å
343	Q	31.9	Very low	32.2	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.734	69%	0.688	S	S	*	*	S	Bend	trans	-100.1	-0.4	-172.6	-85.5	180	-32.5	0	0	115.9
344	F	29.9	Very low	31.5	Very low	209 Å²	209	129.6 Å²	129.6	92%	0.917	69%	0.687	S	S	*	*			trans	-101.3	33.7	174.3	-90.8	-78.1	0	0	0	114.1
345	S	27.4	Very low	31	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	69%	0.692	S	S	*	*	S	Bend	trans	-115.3	116.5	157.8	-147.5	0	0	0	0	109.6
346	R	31.8	Very low	30.6	Very low	227 Å²	227	131.4 Å²	131.4	86%	0.857	70%	0.704	S	S	*	*			trans	-15.6	135.4	173.6	-101.6	172.3	-172.6	146.8	4	117.7
347	N	32.6	Very low	30.3	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	71%	0.714	S	S	*	*			trans	59.3	106	152.5	-63.4	1.7	0	0	0	117.2
348	T	26.1	Very low	29.8	Very low	128 Å²	128	134 Å²	134	79%	0.785	73%	0.726	S	S	*	*				-166.7	121.5	124.6	-55.3	0	0	0	0	107.8	V350	T348-V350 HydrophobicContact CG2-CG2 4.03Å; T348-V350 PolarHBondContact O-N 3.24Å
349	E	30.8	Very low	29.7	Very low	199 Å²	199	129.7 Å²	129.7	93%	0.93	71%	0.706	S	S	*	*			trans	-66.7	117.5	164	-70.5	167.6	168.1	0	0	108.2
350	V	25.2	Very low	30	Very low	108 Å²	108	123.8 Å²	123.8	66%	0.655	69%	0.689	S	S	*	*			trans	-126.4	112.1	162.8	178.5	0	0	0	0	107	T348 L352	T348-V350 HydrophobicContact CG2-CG2 4.03Å; T348-V350 PolarHBondContact O-N 3.24Å; V350-L352 HydrophobicContact CG1-CD1 4.24Å; V350-L352 HydrophobicContact CG1-CG 4.37Å; V350-L352 PolarHBondContact O-N 3.01Å
351	D	31.1	Very low	30.3	Very low	155 Å²	155	127.8 Å²	127.8	83%	0.829	70%	0.698	S	S	*	*			trans	-60.5	121.9	168.9	-172.1	18.6	0	0	0	109.3
352	L	27.4	Very low	30.7	Very low	146 Å²	146	125.8 Å²	125.8	76%	0.764	69%	0.686	S	S	*	*			trans	-137.4	103.1	175.3	-94.5	159.1	0	0	0	108.6	V350	V350-L352 HydrophobicContact CG1-CD1 4.24Å; V350-L352 HydrophobicContact CG1-CG 4.37Å; V350-L352 PolarHBondContact O-N 3.01Å
353	T	26.8	Very low	31.3	Very low	119 Å²	119	124.5 Å²	124.5	73%	0.73	67%	0.666	S	S	*	*			trans	-41	138	162.1	45.8	0	0	0	0	112	E355	T353-E355 PolarHBondContact O-N 2.99Å
354	S	28.6	Very low	32.2	Very low	123 Å²	123	122.3 Å²	122.3	86%	0.86	66%	0.656	S	S	*	*			trans	-54.4	114.3	-178.9	55.2	0	0	0	0	113.4
355	E	27.9	Very low	33.2	Very low	169 Å²	169	118.7 Å²	118.7	79%	0.79	64%	0.64	S	S	*	*			trans	-105.5	134	156.6	-96.9	176.1	177	0	0	108.9	T353	T353-E355 PolarHBondContact O-N 2.99Å
356	A	30.9	Very low	34.6	Very low	89 Å²	89	116.8 Å²	116.8	74%	0.736	62%	0.622	S	S	*	*			trans	-59.7	141.8	-177.5	0	0	0	0	0	112.1	E358	A356-E358 PolarHBondContact O-N 3.02Å
357	T	30.4	Very low	36	Very low	148 Å²	148	113.5 Å²	113.5	91%	0.908	61%	0.61	S	S	*	*			trans	-62.8	90.8	-178.3	-49.1	0	0	0	0	112.2
358	E	29.7	Very low	37.6	Very low	92 Å²	92	111.8 Å²	111.8	43%	0.43	60%	0.597	S	S	.	*			trans	-93.8	140.4	158.8	-72	-158.2	158.1	0	0	110.8	A356 Q363	A356-E358 PolarHBondContact O-N 3.02Å; E358-Q363 HydrophobicContact CB-CG 4.29Å
359	S	31.1	Very low	39.7	Very low	29 Å²	29	109.5 Å²	109.5	20%	0.203	58%	0.579	C	S	.	*			trans	-57	134.9	179.1	43	0	0	0	0	112	E361 V362	S359-E361 PolarHBondContact O-N 2.78Å; S359-V362 PolarHBondContact O-N 3.4Å; S359-V362 VanDerWaalsContact O-N 3.14Å
360	P	36.7	Very low	41.7	Very low	46 Å²	46	101.2 Å²	101.2	30%	0.299	54%	0.542	S	S	.	.	H	α-helix	trans	-59.8	-25.3	-168.9	16.9	-28.6	0	0	0	115.4	Q364	P360-Q364 PolarHBondContact O-N 3.44Å
361	E	37.6	Very low	44.2	Very low	142 Å²	142	104.6 Å²	104.6	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-73.3	-33.7	179.1	-66.7	178.7	153.6	0	0	113.8	S359 Q364 K365	S359-E361 PolarHBondContact O-N 2.78Å; E361-Q364 PolarHBondContact O-N 3.35Å; E361-K365 PolarHBondContact O-N 3.43Å
362	V	39.2	Very low	46.3	Very low	35 Å²	35	105.1 Å²	105.1	21%	0.212	54%	0.538	C	S	.	.	H	α-helix	trans	-72.3	-40.2	-179.2	175.9	0	0	0	0	110.4	S359 Q364 K365 N366 A539	S359-V362 PolarHBondContact O-N 3.4Å; S359-V362 VanDerWaalsContact O-N 3.14Å; V362-Q364 VanDerWaalsContact C-N 3.33Å; V362-Q364 PolarHBondContact O-N 2.92Å; V362-K365 PolarHBondContact O-N 2.81Å; V362-N366 PolarHBondContact O-N 2.84Å; V362-A539 HydrophobicContact CG2-CB 4.5Å
363	Q	43.6	Very low	48.6	Very low	50 Å²	50	102.4 Å²	102.4	23%	0.234	52%	0.52	C	S	.	.	H	α-helix	trans	-65.4	-34.3	176.4	-72.3	-160	-10.4	0	0	112.9	E358 R367	E358-Q363 HydrophobicContact CB-CG 4.29Å; Q363-R367 VanDerWaalsContact O-CB 3.29Å; Q363-R367 WeakPolarHBondContact O-CB 3.33Å; Q363-R367 WeakPolarHBondContact O-CG 3.3Å; Q363-R367 PolarHBondContact O-N 3.2Å; Q363-R367 PolarHBondContact O-NE 2.94Å
364	Q	51.9	Low	51.4	Low	112 Å²	112	98.4 Å²	98.4	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-44.2	178.1	-174.7	165	-18.6	0	0	111.4	P360 E361 V362 R367 E368	P360-Q364 PolarHBondContact O-N 3.44Å; E361-Q364 PolarHBondContact O-N 3.35Å; V362-Q364 VanDerWaalsContact C-N 3.33Å; V362-Q364 PolarHBondContact O-N 2.92Å; Q364-R367 PolarHBondContact O-N 3.45Å; Q364-E368 WeakPolarHBondContact O-CG 3.45Å; Q364-E368 PolarHBondContact O-N 3.36Å
365	K	50.4	Low	53.9	Low	132 Å²	132	97.1 Å²	97.1	57%	0.574	48%	0.477	S	S	*	.	H	α-helix	trans	-65.7	-42.1	177.8	-167.9	175.6	-178.9	-179.8	0	112.5	E361 V362 E368 I369	E361-K365 PolarHBondContact O-N 3.43Å; V362-K365 PolarHBondContact O-N 2.81Å; K365-E368 PolarHBondContact O-N 3.4Å; K365-I369 HydrophobicContact CG-CD1 4.32Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.32Å; K365-I369 PolarHBondContact O-N 2.87Å
366	N	56.1	Low	56.4	Low	57 Å²	57	92.7 Å²	92.7	31%	0.305	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-45.7	175	-79.9	3.8	0	0	0	111.2	V362 E368 I369 V370	V362-N366 PolarHBondContact O-N 2.84Å; N366-E368 VanDerWaalsContact C-N 3.27Å; N366-E368 PolarHBondContact O-N 2.82Å; N366-I369 PolarHBondContact O-N 3.34Å; N366-I369 VanDerWaalsContact O-N 3.1Å; N366-V370 WeakPolarHBondContact O-CG2 3.28Å; N366-V370 PolarHBondContact O-N 2.97Å
367	R	61.6	Low	59	Low	159 Å²	159	90.9 Å²	90.9	60%	0.6	44%	0.437	S	S	*	.	H	α-helix	trans	-58.4	-38.1	175.3	-76.2	-178.6	-131.9	-152.4	2	112.7	Q363 Q364 R371	Q363-R367 VanDerWaalsContact O-CB 3.29Å; Q363-R367 WeakPolarHBondContact O-CB 3.33Å; Q363-R367 WeakPolarHBondContact O-CG 3.3Å; Q363-R367 PolarHBondContact O-N 3.2Å; Q363-R367 PolarHBondContact O-NE 2.94Å; Q364-R367 PolarHBondContact O-N 3.45Å; R367-R371 WeakPolarHBondContact O-CB 3.43Å; R367-R371 PolarHBondContact O-N 3.31Å
368	E	67.4	Low	61.7	Low	110 Å²	110	87 Å²	87	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-40.1	175.3	-76.2	175.5	-169.2	0	0	112.6	Q364 K365 N366 R371 K372	Q364-E368 WeakPolarHBondContact O-CG 3.45Å; Q364-E368 PolarHBondContact O-N 3.36Å; K365-E368 PolarHBondContact O-N 3.4Å; N366-E368 VanDerWaalsContact C-N 3.27Å; N366-E368 PolarHBondContact O-N 2.82Å; E368-R371 PolarHBondContact O-N 3.37Å; E368-K372 PolarHBondContact O-N 2.87Å
369	I	68.8	Low	64.4	Low	79 Å²	79	90.1 Å²	90.1	41%	0.405	42%	0.417	S	S	.	.	H	α-helix	trans	-65.7	-47.7	175.5	-67.8	165	0	0	0	110.7	K365 N366 R371 K372 K373	K365-I369 HydrophobicContact CG-CD1 4.32Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.32Å; K365-I369 PolarHBondContact O-N 2.87Å; N366-I369 PolarHBondContact O-N 3.34Å; N366-I369 VanDerWaalsContact O-N 3.1Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 3.44Å; I369-K372 PolarHBondContact O-N 3.46Å; I369-K373 PolarHBondContact O-N 3.39Å
370	V	73.3	Confident	67.1	Low	26 Å²	26	93.7 Å²	93.7	16%	0.158	43%	0.429	C	S	.	.	H	α-helix	trans	-55.8	-49	175.3	174.5	0	0	0	0	109.7	N366 K372 K373 I374 Y424 F425	N366-V370 WeakPolarHBondContact O-CG2 3.28Å; N366-V370 PolarHBondContact O-N 2.97Å; V370-K372 PolarHBondContact O-N 3.38Å; V370-K373 PolarHBondContact O-N 2.92Å; V370-I374 HydrophobicContact CG1-CD1 3.78Å; V370-I374 HydrophobicContact CG1-CG1 4.42Å; V370-I374 WeakPolarHBondContact O-CG1 3.39Å; V370-I374 PolarHBondContact O-N 3.35Å; V370-Y424 HydrophobicContact CG1-CD2 4.14Å; V370-Y424 WeakPolarHBondContact CG2-O 3.47Å; V370-F425 HydrophobicContact CG1-CD1 3.95Å; V370-F425 HydrophobicContact CG1-CE1 3.82Å
371	R	77.3	Confident	69.7	Low	179 Å²	179	91.6 Å²	91.6	68%	0.675	42%	0.416	S	S	*	.	H	α-helix	trans	-60.1	-45.1	178.8	-172.5	173.4	-172.3	145.9	2.2	112	R367 E368 I369 K373 I374 L375	R367-R371 WeakPolarHBondContact O-CB 3.43Å; R367-R371 PolarHBondContact O-N 3.31Å; E368-R371 PolarHBondContact O-N 3.37Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 3.44Å; R371-K373 PolarHBondContact O-N 3.28Å; R371-I374 PolarHBondContact O-N 3.02Å; R371-L375 HydrophobicContact CG-CD1 3.82Å; R371-L375 WeakPolarHBondContact O-CD1 3.25Å; R371-L375 PolarHBondContact O-N 2.96Å
372	K	74.9	Confident	72.2	Confident	166 Å²	166	89.4 Å²	89.4	72%	0.722	40%	0.404	S	S	*	.	H	α-helix	trans	-58.5	-45	175.1	-98.4	-177.4	174.7	173.6	0	112.2	E368 I369 V370 L375 D376	E368-K372 PolarHBondContact O-N 2.87Å; I369-K372 PolarHBondContact O-N 3.46Å; V370-K372 PolarHBondContact O-N 3.38Å; K372-L375 PolarHBondContact O-N 3.18Å; K372-D376 PolarHBondContact O-N 3.21Å
373	K	77.3	Confident	74.6	Confident	89 Å²	89	92.2 Å²	92.2	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-38	178.7	-72.7	-173.1	178.4	-179.1	0	112.4	I369 V370 R371 D376 N377 Y424	I369-K373 PolarHBondContact O-N 3.39Å; V370-K373 PolarHBondContact O-N 2.92Å; R371-K373 PolarHBondContact O-N 3.28Å; K373-D376 PolarHBondContact O-N 2.97Å; K373-N377 WeakPolarHBondContact O-CB 3.46Å; K373-N377 PolarHBondContact O-N 3Å; K373-N377 PolarHBondContact O-ND2 2.76Å; K373-Y424 HydrophobicContact CB-CD1 4.29Å; K373-Y424 HydrophobicContact CB-CG 4.08Å; K373-Y424 VanDerWaalsContact CD-CB 3.43Å
374	I	84.1	Confident	76.7	Confident	35 Å²	35	93.1 Å²	93.1	18%	0.179	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-46.2	173.4	-68.3	168.9	0	0	0	110.4	V370 R371 D376 N377 Q378 W402 Y424 F425	V370-I374 HydrophobicContact CG1-CD1 3.78Å; V370-I374 HydrophobicContact CG1-CG1 4.42Å; V370-I374 WeakPolarHBondContact O-CG1 3.39Å; V370-I374 PolarHBondContact O-N 3.35Å; R371-I374 PolarHBondContact O-N 3.02Å; I374-D376 PolarHBondContact O-N 2.73Å; I374-N377 PolarHBondContact O-N 2.81Å; I374-Q378 VanDerWaalsContact O-CB 3.27Å; I374-Q378 WeakPolarHBondContact O-CB 3.27Å; I374-Q378 PolarHBondContact O-N 3.01Å; I374-W402 HydrophobicContact CG2-CZ2 4.21Å; I374-Y424 HydrophobicContact CD1-CD2 4.35Å; I374-Y424 HydrophobicContact CD1-CE2 3.89Å; I374-Y424 HydrophobicContact CG1-CD2 3.8Å; I374-Y424 HydrophobicContact CG1-CE2 3.31Å; I374-F425 HydrophobicContact CD1-CE1 4.26Å; I374-F425 HydrophobicContact CD1-CZ 4.02Å
375	L	81.6	Confident	78.4	Confident	95 Å²	95	90.2 Å²	90.2	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.7	-92.8	82.2	0	0	0	112.3	R371 K372 Q378 Y379	R371-L375 HydrophobicContact CG-CD1 3.82Å; R371-L375 WeakPolarHBondContact O-CD1 3.25Å; R371-L375 PolarHBondContact O-N 2.96Å; K372-L375 PolarHBondContact O-N 3.18Å; L375-Q378 PolarHBondContact O-N 3.47Å; L375-Y379 WeakPolarHBondContact O-CB 3.38Å; L375-Y379 PolarHBondContact O-N 2.81Å
376	D	81.3	Confident	80.2	Confident	77 Å²	77	90.8 Å²	90.8	41%	0.412	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176.9	179.7	59.9	0	0	0	111.9	K372 K373 I374 Q378 Y379 K380	K372-D376 PolarHBondContact O-N 3.21Å; K373-D376 PolarHBondContact O-N 2.97Å; I374-D376 PolarHBondContact O-N 2.73Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 2.84Å; D376-Y379 PolarHBondContact O-N 2.67Å; D376-K380 WeakPolarHBondContact O-CG 3.35Å; D376-K380 PolarHBondContact O-N 3.28Å; D376-K380 IonicContact OD1-NZ 2.89Å; D376-K380 WeakPolarHBondContact OD2-CE 3.5Å; D376-K380 IonicContact OD2-NZ 2.89Å; D376-K380 PolarHBondContact OD2-NZ 3.31Å
377	N	84	Confident	81.7	Confident	50 Å²	50	97.3 Å²	97.3	27%	0.267	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-37.3	176	-76.5	-39.1	0	0	0	112.5	K373 I374 K380 C381 W402 Y424	K373-N377 WeakPolarHBondContact O-CB 3.46Å; K373-N377 PolarHBondContact O-N 3Å; K373-N377 PolarHBondContact O-ND2 2.76Å; I374-N377 PolarHBondContact O-N 2.81Å; N377-K380 PolarHBondContact O-N 3.37Å; N377-C381 WeakPolarHBondContact O-CB 3.28Å; N377-C381 PolarHBondContact O-N 3Å; N377-W402 HydrophobicContact CB-CH2 3.79Å; N377-W402 HydrophobicContact CB-CZ3 4.17Å; N377-Y424 WeakPolarHBondContact ND2-CD1 3.27Å; N377-Y424 WeakPolarHBondContact ND2-CE1 3.38Å
378	Q	87.2	Confident	82.8	Confident	66 Å²	66	92.5 Å²	92.5	31%	0.308	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-46.8	174	-179.1	179.9	37.2	0	0	111.3	I374 L375 D376 C381 F382 W402	I374-Q378 VanDerWaalsContact O-CB 3.27Å; I374-Q378 WeakPolarHBondContact O-CB 3.27Å; I374-Q378 PolarHBondContact O-N 3.01Å; L375-Q378 PolarHBondContact O-N 3.47Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 2.84Å; Q378-C381 WeakPolarHBondContact O-CB 3.26Å; Q378-C381 PolarHBondContact O-N 3.37Å; Q378-F382 HydrophobicContact CG-CD2 3.76Å; Q378-F382 HydrophobicContact CG-CE2 3.4Å; Q378-F382 HydrophobicContact CG-CZ 4.36Å; Q378-F382 VanDerWaalsContact O-CD2 3.29Å; Q378-F382 WeakPolarHBondContact O-CD2 3.36Å; Q378-F382 PolarHBondContact O-N 3.42Å; Q378-W402 HydrophobicContact CB-CD2 4.35Å; Q378-W402 HydrophobicContact CB-CH2 4.22Å; Q378-W402 HydrophobicContact CB-CZ2 3.74Å; Q378-W402 HydrophobicContact CG-CD2 4.35Å; Q378-W402 HydrophobicContact CG-CG 4.47Å; Q378-W402 HydrophobicContact CG-CZ2 4.41Å
379	Y	87.6	Confident	83.4	Confident	158 Å²	158	92 Å²	92	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-60.1	-48.5	177.8	178.2	-92.6	0	0	0	111.4	L375 D376 C381 F382 E383	L375-Y379 WeakPolarHBondContact O-CB 3.38Å; L375-Y379 PolarHBondContact O-N 2.81Å; D376-Y379 PolarHBondContact O-N 2.67Å; Y379-C381 VanDerWaalsContact C-N 3.26Å; Y379-C381 PolarHBondContact O-N 3.46Å; Y379-F382 PolarHBondContact O-N 2.88Å; Y379-E383 WeakPolarHBondContact O-CB 3.45Å; Y379-E383 PolarHBondContact O-N 3.05Å
380	K	88	Confident	83.6	Confident	105 Å²	105	93.1 Å²	93.1	46%	0.457	44%	0.44	S	S	.	.	H	α-helix	trans	-57.8	-38.8	175.9	-73.4	169.2	178	164.8	0	112.3	D376 N377 K384	D376-K380 WeakPolarHBondContact O-CG 3.35Å; D376-K380 PolarHBondContact O-N 3.28Å; D376-K380 IonicContact OD1-NZ 2.89Å; D376-K380 WeakPolarHBondContact OD2-CE 3.5Å; D376-K380 IonicContact OD2-NZ 2.89Å; D376-K380 PolarHBondContact OD2-NZ 3.31Å; N377-K380 PolarHBondContact O-N 3.37Å; K380-K384 WeakPolarHBondContact O-CB 3.3Å; K380-K384 PolarHBondContact O-N 3.34Å
381	C	89.9	Confident	83.8	Confident	2 Å²	2	94.3 Å²	94.3	1%	0.014	44%	0.442	C	S	.	.	H	α-helix	trans	-64.5	-48.7	176.2	-171.1	0	0	0	0	111.8	N377 Q378 Y379 E383 K384 I385 W402 C407	N377-C381 WeakPolarHBondContact O-CB 3.28Å; N377-C381 PolarHBondContact O-N 3Å; Q378-C381 WeakPolarHBondContact O-CB 3.26Å; Q378-C381 PolarHBondContact O-N 3.37Å; Y379-C381 VanDerWaalsContact C-N 3.26Å; Y379-C381 PolarHBondContact O-N 3.46Å; C381-E383 VanDerWaalsContact C-N 3.33Å; C381-E383 PolarHBondContact O-N 3.24Å; C381-K384 WeakPolarHBondContact O-CB 3.48Å; C381-K384 PolarHBondContact O-N 3.07Å; C381-K384 VanDerWaalsContact O-N 3.16Å; C381-I385 VanDerWaalsContact O-CG1 3.24Å; C381-I385 WeakPolarHBondContact O-CG1 3.48Å; C381-I385 PolarHBondContact O-N 2.98Å; C381-W402 HydrophobicContact CB-CE3 3.71Å; C381-W402 HydrophobicContact CB-CZ3 4.24Å; C381-C407 WeakPolarHBondContact CA-SG 3.25Å; C381-C407 HydrophobicContact CB-CB 3.48Å; C381-C407 VanDerWaalsContact CB-CB 3.48Å; C381-C407 WeakPolarHBondContact CB-SG 3.42Å; C381-C407 VanDerWaalsContact SG-CA 3.5Å; C381-C407 WeakPolarHBondContact SG-CB 3.24Å; C381-C407 CovalentContact SG-SG 2.03Å; C381-C407 PolarHBondContact SG-SG 2.96Å
382	F	90.8	Very high	83.5	Confident	96 Å²	96	93.6 Å²	93.6	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-37.2	179	-73	-51.8	0	0	0	112.9	Q378 Y379 K384 I385 N386	Q378-F382 HydrophobicContact CG-CD2 3.76Å; Q378-F382 HydrophobicContact CG-CE2 3.4Å; Q378-F382 HydrophobicContact CG-CZ 4.36Å; Q378-F382 VanDerWaalsContact O-CD2 3.29Å; Q378-F382 WeakPolarHBondContact O-CD2 3.36Å; Q378-F382 PolarHBondContact O-N 3.42Å; Y379-F382 PolarHBondContact O-N 2.88Å; F382-K384 VanDerWaalsContact C-N 3.34Å; F382-I385 HydrophobicContact CD1-CD1 4.06Å; F382-I385 PolarHBondContact O-N 3.33Å; F382-N386 PolarHBondContact O-N 2.89Å; F382-N386 VanDerWaalsContact O-N 3.07Å; F382-N386 PolarHBondContact O-ND2 3.02Å
383	E	90.3	Very high	83.5	Confident	94 Å²	94	92.4 Å²	92.4	44%	0.439	45%	0.446	S	S	.	.	H	α-helix	trans	-58.8	-47.6	171.2	-174.7	-178.9	-163.5	0	0	110.8	Y379 C381 I385 N386 R387	Y379-E383 WeakPolarHBondContact O-CB 3.45Å; Y379-E383 PolarHBondContact O-N 3.05Å; C381-E383 VanDerWaalsContact C-N 3.33Å; C381-E383 PolarHBondContact O-N 3.24Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 PolarHBondContact O-N 3.02Å; E383-N386 PolarHBondContact O-N 2.96Å; E383-R387 WeakPolarHBondContact O-CB 3.29Å; E383-R387 PolarHBondContact O-N 2.85Å
384	K	87.3	Confident	83.4	Confident	69 Å²	69	94.6 Å²	94.6	30%	0.3	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-41.2	176.6	-168.4	175.2	-178	176.1	0	112.4	K380 C381 F382 N386 R387 D388 R400 E409	K380-K384 WeakPolarHBondContact O-CB 3.3Å; K380-K384 PolarHBondContact O-N 3.34Å; C381-K384 WeakPolarHBondContact O-CB 3.48Å; C381-K384 PolarHBondContact O-N 3.07Å; C381-K384 VanDerWaalsContact O-N 3.16Å; F382-K384 VanDerWaalsContact C-N 3.34Å; K384-N386 VanDerWaalsContact C-N 3.28Å; K384-N386 PolarHBondContact O-N 3.15Å; K384-R387 PolarHBondContact O-N 3.43Å; K384-D388 WeakPolarHBondContact CE-OD2 2.91Å; K384-D388 WeakPolarHBondContact CG-OD2 3.43Å; K384-D388 WeakPolarHBondContact O-CB 3.5Å; K384-D388 PolarHBondContact O-N 3.29Å; K384-R400 PolarHBondContact O-NH1 3.08Å; K384-E409 WeakPolarHBondContact CE-OE1 3.33Å; K384-E409 VanDerWaalsContact CE-OE2 3.24Å; K384-E409 WeakPolarHBondContact CE-OE2 3.23Å; K384-E409 IonicContact NZ-OE1 2.81Å; K384-E409 PolarHBondContact NZ-OE1 3.42Å; K384-E409 IonicContact NZ-OE2 2.73Å; K384-E409 PolarHBondContact NZ-OE2 3.37Å
385	I	87.9	Confident	83.2	Confident	51 Å²	51	95.6 Å²	95.6	26%	0.262	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-40.9	177.1	-68.7	167.2	0	0	0	111.2	C381 F382 E383 R400	C381-I385 VanDerWaalsContact O-CG1 3.24Å; C381-I385 WeakPolarHBondContact O-CG1 3.48Å; C381-I385 PolarHBondContact O-N 2.98Å; F382-I385 HydrophobicContact CD1-CD1 4.06Å; F382-I385 PolarHBondContact O-N 3.33Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 PolarHBondContact O-N 3.02Å; I385-R400 HydrophobicContact CG1-CG 3.89Å; I385-R400 PolarHBondContact O-NH1 3.33Å
386	N	86.8	Confident	83.6	Confident	143 Å²	143	96.5 Å²	96.5	77%	0.765	50%	0.497	S	S	*	.	H	α-helix	trans	-80.7	-31.3	-178.9	-67.8	-26.7	0	0	0	113.7	F382 E383 K384	F382-N386 PolarHBondContact O-N 2.89Å; F382-N386 VanDerWaalsContact O-N 3.07Å; F382-N386 PolarHBondContact O-ND2 3.02Å; E383-N386 PolarHBondContact O-N 2.96Å; K384-N386 VanDerWaalsContact C-N 3.28Å; K384-N386 PolarHBondContact O-N 3.15Å
387	R	87.7	Confident	84	Confident	194 Å²	194	96.8 Å²	96.8	73%	0.732	49%	0.492	S	S	*	.	H	α-helix	trans	-85.4	-44.2	-173.9	-178.9	-178.4	171.5	-173.6	-3.9	113	E383 K384	E383-R387 WeakPolarHBondContact O-CB 3.29Å; E383-R387 PolarHBondContact O-N 2.85Å; K384-R387 PolarHBondContact O-N 3.43Å
388	D	84.4	Confident	84.4	Confident	58 Å²	58	94.5 Å²	94.5	31%	0.31	48%	0.48	S	S	.	.	S	Bend	trans	-80.7	139	-169.4	-72.7	-5.7	0	0	0	110.5	K384 R400	K384-D388 WeakPolarHBondContact CE-OD2 2.91Å; K384-D388 WeakPolarHBondContact CG-OD2 3.43Å; K384-D388 WeakPolarHBondContact O-CB 3.5Å; K384-D388 PolarHBondContact O-N 3.29Å; D388-R400 PolarHBondContact O-NH1 2.93Å
389	P	80.7	Confident	84.5	Confident	101 Å²	101	94.7 Å²	94.7	66%	0.656	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-63.7	152.8	-178.5	26.8	-34.1	0	0	0	111.4	R400	P389-R400 PolarHBondContact O-NH2 3Å
390	P	73.8	Confident	84.6	Confident	101 Å²	101	88.7 Å²	88.7	66%	0.656	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-60.1	152.8	176.4	23.1	-31.1	0	0	0	111.6	N392	P390-N392 PolarHBondContact O-N 2.91Å
391	Y	77.6	Confident	84.7	Confident	51 Å²	51	85.1 Å²	85.1	20%	0.2	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-54	121.3	-174.9	-171.5	-113.2	0	0	0	112.3	K393 Y397 D410	Y391-K393 HydrophobicContact CD1-CB 4.19Å; Y391-K393 HydrophobicContact CE1-CB 3.57Å; Y391-K393 HydrophobicContact CE1-CD 4.41Å; Y391-K393 HydrophobicContact CE1-CG 4.01Å; Y391-K393 HydrophobicContact CE2-CD 4.42Å; Y391-K393 HydrophobicContact CE2-CG 4.24Å; Y391-K393 PolarHBondContact O-N 3.46Å; Y391-K393 VanDerWaalsContact OH-CD 3.32Å; Y391-K393 WeakPolarHBondContact OH-CD 2.93Å; Y391-Y397 AromaticContact CD1-CD1 3.74Å; Y391-Y397 HydrophobicContact CD1-CD1 3.74Å; Y391-Y397 HydrophobicContact CD1-CD2 4.13Å; Y391-Y397 HydrophobicContact CD1-CE1 4.34Å; Y391-Y397 AromaticContact CD1-CG 3.63Å; Y391-Y397 HydrophobicContact CD1-CG 3.63Å; Y391-Y397 HydrophobicContact CE1-CG 4.34Å; Y391-Y397 HydrophobicContact CG-CD1 4.47Å; Y391-Y397 HydrophobicContact CG-CD2 4.21Å; Y391-Y397 HydrophobicContact CG-CG 4.18Å; Y391-D410 HydrophobicContact CD2-CB 3.62Å; Y391-D410 HydrophobicContact CE2-CB 4.43Å; Y391-D410 HydrophobicContact CG-CB 3.9Å
392	N	70.3	Confident	84.7	Confident	164 Å²	164	87 Å²	87	88%	0.877	46%	0.458	S	S	*	.			trans	-98.3	22.3	-166.7	-154.5	11.7	0	0	0	113.7	P390	P390-N392 PolarHBondContact O-N 2.91Å
393	K	74.3	Confident	84.5	Confident	142 Å²	142	84.4 Å²	84.4	62%	0.617	45%	0.448	S	S	*	.	S	Bend	trans	-108.6	142	175.7	-52.3	-165.3	-164.9	163.8	0	110.9	Y391 G395	Y391-K393 HydrophobicContact CD1-CB 4.19Å; Y391-K393 HydrophobicContact CE1-CB 3.57Å; Y391-K393 HydrophobicContact CE1-CD 4.41Å; Y391-K393 HydrophobicContact CE1-CG 4.01Å; Y391-K393 HydrophobicContact CE2-CD 4.42Å; Y391-K393 HydrophobicContact CE2-CG 4.24Å; Y391-K393 PolarHBondContact O-N 3.46Å; Y391-K393 VanDerWaalsContact OH-CD 3.32Å; Y391-K393 WeakPolarHBondContact OH-CD 2.93Å; K393-G395 PolarHBondContact O-N 3.38Å
394	S	75.5	Confident	84.3	Confident	134 Å²	134	81.2 Å²	81.2	94%	0.937	44%	0.441	S	S	*	.	S	Bend	trans	-68.2	113.9	176.8	50.7	0	0	0	0	111.4
395	G	80.7	Confident	84.3	Confident	56 Å²	56	82.4 Å²	82.4	58%	0.577	44%	0.444	S	S	*	.	S	Bend	trans	153.5	167.6	175.6	0	0	0	0	0	112.8	K393	K393-G395 PolarHBondContact O-N 3.38Å
396	L	88.9	Confident	84.5	Confident	115 Å²	115	81.1 Å²	81.1	60%	0.602	44%	0.437	S	S	*	.			trans	-66.3	137.1	167.3	-72.4	166.8	0	0	0	109	A413	L396-A413 HydrophobicContact CB-CB 3.83Å; L396-A413 VanDerWaalsContact O-CB 3.22Å; L396-A413 WeakPolarHBondContact O-CB 3.26Å; L396-A413 PolarHBondContact O-N 3.38Å
397	Y	90.4	Very high	84.6	Confident	83 Å²	83	75.4 Å²	75.4	33%	0.325	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.3	179.2	67.6	-87.4	0	0	0	109.8	Y391 D410 T411	Y391-Y397 AromaticContact CD1-CD1 3.74Å; Y391-Y397 HydrophobicContact CD1-CD1 3.74Å; Y391-Y397 HydrophobicContact CD1-CD2 4.13Å; Y391-Y397 HydrophobicContact CD1-CE1 4.34Å; Y391-Y397 AromaticContact CD1-CG 3.63Å; Y391-Y397 HydrophobicContact CD1-CG 3.63Å; Y391-Y397 HydrophobicContact CE1-CG 4.34Å; Y391-Y397 HydrophobicContact CG-CD1 4.47Å; Y391-Y397 HydrophobicContact CG-CD2 4.21Å; Y391-Y397 HydrophobicContact CG-CG 4.18Å; Y397-D410 HydrophobicContact CD2-CB 4.32Å; Y397-T411 CarbonylContact C-O 3.5Å; Y397-T411 VanDerWaalsContact CA-O 3.32Å; Y397-T411 WeakPolarHBondContact CA-O 3Å; Y397-T411 WeakPolarHBondContact CB-O 3.48Å
398	C	91.6	Very high	84.8	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.8	169.7	-61.8	0	0	0	0	109.1	D410 T411 C438 G442 Q443 W444	C398-D410 WeakPolarHBondContact O-CA 3.48Å; C398-T411 PolarHBondContact N-O 3.48Å; C398-T411 PolarHBondContact O-N 3.25Å; C398-T411 VanDerWaalsContact O-N 3.11Å; C398-C438 HydrophobicContact CB-CB 3.88Å; C398-C438 WeakPolarHBondContact CB-SG 3.38Å; C398-C438 PolarHBondContact N-SG 2.89Å; C398-C438 WeakPolarHBondContact SG-CA 3.46Å; C398-C438 WeakPolarHBondContact SG-CB 3.2Å; C398-C438 CovalentContact SG-SG 2.03Å; C398-C438 PolarHBondContact SG-SG 2.96Å; C398-G442 VanDerWaalsContact SG-C 3.52Å; C398-Q443 PolarHBondContact SG-O 1.98Å; C398-Q443 VanDerWaalsContact SG-O 3.38Å; C398-W444 HydrophobicContact CB-CD2 3.67Å; C398-W444 VanDerWaalsContact CB-CE2 3.4Å; C398-W444 HydrophobicContact CB-CE3 4.09Å; C398-W444 HydrophobicContact CB-CG 4.17Å; C398-W444 HydrophobicContact CB-CH2 4.07Å; C398-W444 HydrophobicContact CB-CZ2 3.63Å; C398-W444 HydrophobicContact CB-CZ3 4.27Å
399	S	89.9	Confident	85.2	Confident	71 Å²	71	66.4 Å²	66.4	50%	0.497	37%	0.373	S	S	.	.			trans	-66.7	142.9	177.1	61.5	0	0	0	0	111.2	D410 W444	S399-D410 WeakPolarHBondContact CA-OD1 3.38Å; S399-W444 PolarHBondContact O-NE1 2.87Å
400	R	90.5	Very high	85.7	Confident	32 Å²	32	62.8 Å²	62.8	12%	0.121	35%	0.348	C	S	.	.			trans	-45.5	138.7	170.2	57.5	179.9	76.9	145	7.3	112.8	K384 I385 D388 P389 W408 D410	K384-R400 PolarHBondContact O-NH1 3.08Å; I385-R400 HydrophobicContact CG1-CG 3.89Å; I385-R400 PolarHBondContact O-NH1 3.33Å; D388-R400 PolarHBondContact O-NH1 2.93Å; P389-R400 PolarHBondContact O-NH2 3Å; R400-W408 CarbonylContact C-O 3.6Å; R400-W408 WeakPolarHBondContact CA-O 3.38Å; R400-W408 WeakPolarHBondContact CB-O 3.27Å; R400-D410 IonicContact CZ-OD2 2.96Å; R400-D410 VanDerWaalsContact CZ-OD2 3.24Å; R400-D410 PolarHBondContact N-OD1 3.39Å; R400-D410 IonicContact NE-OD1 3.17Å; R400-D410 IonicContact NE-OD2 2.74Å; R400-D410 PolarHBondContact NE-OD2 3.31Å; R400-D410 IonicContact NH2-OD2 2.67Å; R400-D410 PolarHBondContact NH2-OD2 3.04Å
401	N	90.3	Very high	86.5	Confident	29 Å²	29	58.3 Å²	58.3	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.7	179.6	65.1	-1.6	0	0	0	113.5	W408 K436 W444	N401-W408 PolarHBondContact N-O 3.17Å; N401-W408 VanDerWaalsContact N-O 3.12Å; N401-W408 PolarHBondContact O-N 3.41Å; N401-K436 PolarHBondContact ND2-NZ 3.42Å; N401-K436 PolarHBondContact OD1-NZ 3.06Å; N401-W444 PolarHBondContact ND2-NE1 3.04Å; N401-W444 VanDerWaalsContact ND2-NE1 3.16Å
402	W	89.4	Confident	87.1	Confident	43 Å²	43	58.2 Å²	58.2	16%	0.163	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.3	169.1	-179.8	-108.1	0	0	0	109.4	I374 N377 Q378 C381 G404 W405 L406 C407	I374-W402 HydrophobicContact CG2-CZ2 4.21Å; N377-W402 HydrophobicContact CB-CH2 3.79Å; N377-W402 HydrophobicContact CB-CZ3 4.17Å; Q378-W402 HydrophobicContact CB-CD2 4.35Å; Q378-W402 HydrophobicContact CB-CH2 4.22Å; Q378-W402 HydrophobicContact CB-CZ2 3.74Å; Q378-W402 HydrophobicContact CG-CD2 4.35Å; Q378-W402 HydrophobicContact CG-CG 4.47Å; Q378-W402 HydrophobicContact CG-CZ2 4.41Å; C381-W402 HydrophobicContact CB-CE3 3.71Å; C381-W402 HydrophobicContact CB-CZ3 4.24Å; W402-G404 VanDerWaalsContact CE2-C 3.47Å; W402-G404 VanDerWaalsContact CZ2-C 3.42Å; W402-G404 WeakPolarHBondContact CZ2-O 3.22Å; W402-G404 VanDerWaalsContact NE1-CA 3.28Å; W402-W405 WeakPolarHBondContact CH2-O 3.47Å; W402-W405 WeakPolarHBondContact CZ3-O 3.27Å; W402-L406 VanDerWaalsContact CE3-C 3.43Å; W402-L406 VanDerWaalsContact CE3-O 3.3Å; W402-L406 VanDerWaalsContact CZ3-C 3.45Å; W402-C407 HydrophobicContact CE3-CB 4.24Å; W402-C407 HydrophobicContact CZ3-CB 4.43Å
403	D	87.1	Confident	88.2	Confident	40 Å²	40	51.9 Å²	51.9	21%	0.214	29%	0.294	C	S	.	.			trans	-96.1	1.3	-179.9	75.5	-11.2	0	0	0	114.1	W405 L406 W408 S455 Y457	D403-W405 PolarHBondContact OD1-N 3.01Å; D403-L406 PolarHBondContact N-O 2.85Å; D403-L406 PolarHBondContact OD1-N 3.34Å; D403-L406 VanDerWaalsContact OD1-O 3.11Å; D403-W408 PolarHBondContact OD2-NE1 3.34Å; D403-S455 VanDerWaalsContact OD2-CB 3.32Å; D403-S455 WeakPolarHBondContact OD2-CB 3.32Å; D403-S455 PolarHBondContact OD2-OG 3.41Å; D403-Y457 PolarHBondContact OD1-OH 3.46Å; D403-Y457 WeakPolarHBondContact OD2-CE2 3.31Å; D403-Y457 PolarHBondContact OD2-OH 2.92Å
404	G	85.6	Confident	89	Confident	28 Å²	28	46.7 Å²	46.7	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	112.5	-28.5	-174.1	0	0	0	0	0	113	W402	W402-G404 VanDerWaalsContact CE2-C 3.47Å; W402-G404 VanDerWaalsContact CZ2-C 3.42Å; W402-G404 WeakPolarHBondContact CZ2-O 3.22Å; W402-G404 VanDerWaalsContact NE1-CA 3.28Å
405	W	88	Confident	89.8	Confident	94 Å²	94	42.9 Å²	42.9	36%	0.356	25%	0.252	S	S	.	.	S	Bend	trans	-128.6	-44.7	-176.4	-60.3	-19	0	0	0	112.8	W402 D403 Y424 F425 F428 Y457	W402-W405 WeakPolarHBondContact CH2-O 3.47Å; W402-W405 WeakPolarHBondContact CZ3-O 3.27Å; D403-W405 PolarHBondContact OD1-N 3.01Å; W405-Y424 VanDerWaalsContact C-OH 3.27Å; W405-Y424 WeakPolarHBondContact CA-OH 3.27Å; W405-Y424 WeakPolarHBondContact CB-OH 3.24Å; W405-Y424 PolarHBondContact O-OH 2.87Å; W405-F425 AromaticContact CD1-CZ 3.86Å; W405-F425 AromaticContact CD2-CE2 3.98Å; W405-F425 HydrophobicContact CD2-CE2 3.98Å; W405-F425 HydrophobicContact CD2-CZ 4.21Å; W405-F425 AromaticContact CE2-CZ 3.95Å; W405-F425 HydrophobicContact CE3-CE2 4.42Å; W405-F425 HydrophobicContact CG-CE2 4.02Å; W405-F425 HydrophobicContact CG-CZ 4.22Å; W405-F425 AromaticContact NE1-CZ 3.74Å; W405-F428 AromaticContact CE3-CE2 3.97Å; W405-F428 HydrophobicContact CE3-CE2 3.97Å; W405-F428 HydrophobicContact CE3-CZ 4.14Å; W405-F428 HydrophobicContact CH2-CZ 4.05Å; W405-F428 AromaticContact CZ3-CE2 3.85Å; W405-F428 HydrophobicContact CZ3-CE2 3.85Å; W405-F428 AromaticContact CZ3-CZ 3.56Å; W405-F428 HydrophobicContact CZ3-CZ 3.56Å; W405-Y457 HydrophobicContact CD2-CE2 4.46Å; W405-Y457 AromaticContact CE3-CD1 3.87Å; W405-Y457 HydrophobicContact CE3-CD1 3.87Å; W405-Y457 AromaticContact CE3-CD2 3.64Å; W405-Y457 HydrophobicContact CE3-CD2 3.64Å; W405-Y457 AromaticContact CE3-CE1 3.79Å; W405-Y457 HydrophobicContact CE3-CE1 3.79Å; W405-Y457 AromaticContact CE3-CE2 3.52Å; W405-Y457 HydrophobicContact CE3-CE2 3.52Å; W405-Y457 AromaticContact CE3-CG 3.82Å; W405-Y457 HydrophobicContact CE3-CG 3.82Å; W405-Y457 AromaticContact CE3-CZ 3.63Å; W405-Y457 HydrophobicContact CZ3-CD1 4.06Å; W405-Y457 AromaticContact CZ3-CD2 3.56Å; W405-Y457 HydrophobicContact CZ3-CD2 3.56Å; W405-Y457 HydrophobicContact CZ3-CE1 4.43Å; W405-Y457 AromaticContact CZ3-CE2 3.94Å; W405-Y457 HydrophobicContact CZ3-CE2 3.94Å; W405-Y457 AromaticContact CZ3-CG 3.63Å; W405-Y457 HydrophobicContact CZ3-CG 3.63Å
406	L	90.3	Very high	90.4	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.126	26%	0.256	C	S	.	.			trans	-119.7	152.8	-179.1	-68.1	177.4	0	0	0	111.9	W402 D403 W408 Q419 P422 A434 Y457	W402-L406 VanDerWaalsContact CE3-C 3.43Å; W402-L406 VanDerWaalsContact CE3-O 3.3Å; W402-L406 VanDerWaalsContact CZ3-C 3.45Å; D403-L406 PolarHBondContact N-O 2.85Å; D403-L406 PolarHBondContact OD1-N 3.34Å; D403-L406 VanDerWaalsContact OD1-O 3.11Å; L406-W408 HydrophobicContact CD1-CZ2 4.41Å; L406-Q419 HydrophobicContact CD1-CB 4.47Å; L406-P422 HydrophobicContact CD2-CB 4.2Å; L406-P422 HydrophobicContact CD2-CG 4.42Å; L406-A434 HydrophobicContact CD1-CB 4.01Å; L406-Y457 HydrophobicContact CD1-CE1 3.78Å; L406-Y457 HydrophobicContact CG-CE1 4.26Å; L406-Y457 WeakPolarHBondContact CG-OH 3.39Å
407	C	90.8	Very high	90.5	Very high	23 Å²	23	43.8 Å²	43.8	16%	0.155	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.6	171	-162.9	0	0	0	0	109.3	C381 W402 Q419	C381-C407 WeakPolarHBondContact CA-SG 3.25Å; C381-C407 HydrophobicContact CB-CB 3.48Å; C381-C407 VanDerWaalsContact CB-CB 3.48Å; C381-C407 WeakPolarHBondContact CB-SG 3.42Å; C381-C407 VanDerWaalsContact SG-CA 3.5Å; C381-C407 WeakPolarHBondContact SG-CB 3.24Å; C381-C407 CovalentContact SG-SG 2.03Å; C381-C407 PolarHBondContact SG-SG 2.96Å; W402-C407 HydrophobicContact CE3-CB 4.24Å; W402-C407 HydrophobicContact CZ3-CB 4.43Å; C407-Q419 PolarHBondContact O-NE2 2.92Å
408	W	91.9	Very high	90.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.2	179.8	-65	90.3	0	0	0	111	R400 N401 D403 L406 T417 Q419 A434 K436 W444 S455	R400-W408 CarbonylContact C-O 3.6Å; R400-W408 WeakPolarHBondContact CA-O 3.38Å; R400-W408 WeakPolarHBondContact CB-O 3.27Å; N401-W408 PolarHBondContact N-O 3.17Å; N401-W408 VanDerWaalsContact N-O 3.12Å; N401-W408 PolarHBondContact O-N 3.41Å; D403-W408 PolarHBondContact OD2-NE1 3.34Å; L406-W408 HydrophobicContact CD1-CZ2 4.41Å; W408-T417 HydrophobicContact CD2-CG2 4.46Å; W408-T417 HydrophobicContact CE3-CG2 3.39Å; W408-T417 HydrophobicContact CZ3-CG2 3.63Å; W408-Q419 HydrophobicContact CZ3-CG 4.32Å; W408-A434 HydrophobicContact CH2-CB 4.3Å; W408-A434 HydrophobicContact CZ2-CB 4.42Å; W408-K436 HydrophobicContact CB-CD 4.33Å; W408-K436 HydrophobicContact CD2-CB 3.89Å; W408-K436 HydrophobicContact CD2-CD 3.55Å; W408-K436 HydrophobicContact CD2-CG 4.39Å; W408-K436 HydrophobicContact CE3-CB 3.76Å; W408-K436 HydrophobicContact CE3-CD 4.19Å; W408-K436 HydrophobicContact CG-CD 3.59Å; W408-K436 HydrophobicContact CH2-CB 3.66Å; W408-K436 HydrophobicContact CZ2-CB 3.8Å; W408-K436 HydrophobicContact CZ2-CD 4.32Å; W408-K436 HydrophobicContact CZ3-CB 3.65Å; W408-W444 HydrophobicContact CB-CH2 4.25Å; W408-W444 HydrophobicContact CB-CZ2 4.24Å; W408-S455 PolarHBondContact NE1-OG 3.46Å
409	E	91.3	Very high	90.5	Very high	63 Å²	63	45.4 Å²	45.4	29%	0.294	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-78.8	165	177.8	-57.6	-60.1	134.7	0	0	112.7	K384 T411	K384-E409 WeakPolarHBondContact CE-OE1 3.33Å; K384-E409 VanDerWaalsContact CE-OE2 3.24Å; K384-E409 WeakPolarHBondContact CE-OE2 3.23Å; K384-E409 IonicContact NZ-OE1 2.81Å; K384-E409 PolarHBondContact NZ-OE1 3.42Å; K384-E409 IonicContact NZ-OE2 2.73Å; K384-E409 PolarHBondContact NZ-OE2 3.37Å; E409-T411 PolarHBondContact O-N 3.07Å; E409-T411 PolarHBondContact O-OG1 3.37Å
410	D	90.8	Very high	90.5	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.134	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.4	124.3	172.6	-59.1	-56.9	0	0	0	110.4	Y391 Y397 C398 S399 R400	Y391-D410 HydrophobicContact CD2-CB 3.62Å; Y391-D410 HydrophobicContact CE2-CB 4.43Å; Y391-D410 HydrophobicContact CG-CB 3.9Å; Y397-D410 HydrophobicContact CD2-CB 4.32Å; C398-D410 WeakPolarHBondContact O-CA 3.48Å; S399-D410 WeakPolarHBondContact CA-OD1 3.38Å; R400-D410 IonicContact CZ-OD2 2.96Å; R400-D410 VanDerWaalsContact CZ-OD2 3.24Å; R400-D410 PolarHBondContact N-OD1 3.39Å; R400-D410 IonicContact NE-OD1 3.17Å; R400-D410 IonicContact NE-OD2 2.74Å; R400-D410 PolarHBondContact NE-OD2 3.31Å; R400-D410 IonicContact NH2-OD2 2.67Å; R400-D410 PolarHBondContact NH2-OD2 3.04Å
411	T	90.8	Very high	90.4	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.2	-170.4	-59.3	0	0	0	0	109.8	Y397 C398 E409 T415 T417 C438	Y397-T411 CarbonylContact C-O 3.5Å; Y397-T411 VanDerWaalsContact CA-O 3.32Å; Y397-T411 WeakPolarHBondContact CA-O 3Å; Y397-T411 WeakPolarHBondContact CB-O 3.48Å; C398-T411 PolarHBondContact N-O 3.48Å; C398-T411 PolarHBondContact O-N 3.25Å; C398-T411 VanDerWaalsContact O-N 3.11Å; E409-T411 PolarHBondContact O-N 3.07Å; E409-T411 PolarHBondContact O-OG1 3.37Å; T411-T415 VanDerWaalsContact CG2-OG1 3.3Å; T411-T415 WeakPolarHBondContact CG2-OG1 3.44Å; T411-T417 HydrophobicContact CG2-CG2 4.15Å; T411-T417 WeakPolarHBondContact OG1-CB 3.45Å; T411-T417 WeakPolarHBondContact OG1-CG2 3.47Å; T411-C438 HydrophobicContact CG2-CB 3.95Å; T411-C438 PolarHBondContact O-SG 3.47Å
412	P	91.8	Very high	90.2	Very high	49 Å²	49	44 Å²	44	32%	0.318	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	147.2	178.8	24.3	-29.5	0	0	0	111.9	T415	P412-T415 HydrophobicContact CG-CG2 4.1Å; P412-T415 WeakPolarHBondContact CG-OG1 3.41Å; P412-T415 PolarHBondContact O-N 2.89Å; P412-T415 PolarHBondContact O-OG1 2.98Å
413	A	92.8	Very high	89.7	Confident	31 Å²	31	47.3 Å²	47.3	26%	0.256	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	141.8	178.7	0	0	0	0	0	112.4	L396 T415 G439	L396-A413 HydrophobicContact CB-CB 3.83Å; L396-A413 VanDerWaalsContact O-CB 3.22Å; L396-A413 WeakPolarHBondContact O-CB 3.26Å; L396-A413 PolarHBondContact O-N 3.38Å; A413-T415 VanDerWaalsContact C-N 3.35Å; A413-G439 WeakPolarHBondContact CA-O 3.46Å; A413-G439 VanDerWaalsContact CB-O 3.3Å; A413-G439 WeakPolarHBondContact CB-O 3.49Å
414	G	91.1	Very high	89.3	Confident	34 Å²	34	45.7 Å²	45.7	35%	0.351	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.1	-179.7	0	0	0	0	0	115.1	C438 G439	G414-C438 WeakPolarHBondContact CA-O 3.24Å; G414-C438 PolarHBondContact N-O 3.27Å; G414-G439 PolarHBondContact N-O 3.06Å
415	T	92.4	Very high	88.8	Confident	53 Å²	53	46.6 Å²	46.6	33%	0.325	25%	0.25	S	C	.	.			trans	-123.2	154.5	-178.3	69.3	0	0	0	0	113.4	T411 P412 A413 C438	T411-T415 VanDerWaalsContact CG2-OG1 3.3Å; T411-T415 WeakPolarHBondContact CG2-OG1 3.44Å; P412-T415 HydrophobicContact CG-CG2 4.1Å; P412-T415 WeakPolarHBondContact CG-OG1 3.41Å; P412-T415 PolarHBondContact O-N 2.89Å; P412-T415 PolarHBondContact O-OG1 2.98Å; A413-T415 VanDerWaalsContact C-N 3.35Å; T415-C438 PolarHBondContact N-O 3.28Å; T415-C438 PolarHBondContact O-N 3.14Å
416	Y	91.9	Very high	87.8	Confident	166 Å²	166	47.9 Å²	47.9	65%	0.651	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.4	170.7	-70.1	-93.8	0	0	0	110	K436 Y437	Y416-K436 WeakPolarHBondContact CA-O 3.44Å; Y416-Y437 AromaticContact CD1-CD2 3.9Å; Y416-Y437 HydrophobicContact CD1-CD2 3.9Å; Y416-Y437 HydrophobicContact CD1-CG 4.3Å; Y416-Y437 AromaticContact CD2-CD2 3.73Å; Y416-Y437 HydrophobicContact CD2-CD2 3.73Å; Y416-Y437 HydrophobicContact CD2-CE2 4.17Å; Y416-Y437 AromaticContact CE1-CD2 3.67Å; Y416-Y437 HydrophobicContact CE1-CD2 3.67Å; Y416-Y437 AromaticContact CE1-CG 3.87Å; Y416-Y437 HydrophobicContact CE1-CG 3.87Å; Y416-Y437 AromaticContact CE2-CD2 3.47Å; Y416-Y437 HydrophobicContact CE2-CD2 3.47Å; Y416-Y437 VanDerWaalsContact CE2-CD2 3.47Å; Y416-Y437 AromaticContact CE2-CE2 3.76Å; Y416-Y437 HydrophobicContact CE2-CE2 3.76Å; Y416-Y437 HydrophobicContact CE2-CG 4.39Å; Y416-Y437 AromaticContact CG-CD2 3.93Å; Y416-Y437 HydrophobicContact CG-CD2 3.93Å; Y416-Y437 AromaticContact CZ-CD2 3.43Å; Y416-Y437 VanDerWaalsContact CZ-CD2 3.43Å; Y416-Y437 AromaticContact CZ-CG 3.9Å
417	T	92.3	Very high	86.9	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.7	166.2	-179.3	0	0	0	0	109.4	W408 T411 T435 K436 W444	W408-T417 HydrophobicContact CD2-CG2 4.46Å; W408-T417 HydrophobicContact CE3-CG2 3.39Å; W408-T417 HydrophobicContact CZ3-CG2 3.63Å; T411-T417 HydrophobicContact CG2-CG2 4.15Å; T411-T417 WeakPolarHBondContact OG1-CB 3.45Å; T411-T417 WeakPolarHBondContact OG1-CG2 3.47Å; T417-T435 WeakPolarHBondContact O-CA 3.21Å; T417-K436 HydrophobicContact CG2-CB 3.97Å; T417-K436 WeakPolarHBondContact CG2-O 3.05Å; T417-K436 PolarHBondContact N-O 3.16Å; T417-K436 PolarHBondContact O-N 3.01Å; T417-W444 HydrophobicContact CG2-CH2 3.95Å; T417-W444 HydrophobicContact CG2-CZ3 3.95Å
418	S	91.7	Very high	86.4	Confident	61 Å²	61	51.9 Å²	51.9	43%	0.427	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.9	-177.1	71.1	0	0	0	0	110.8	A434	S418-A434 VanDerWaalsContact CA-O 3.27Å; S418-A434 WeakPolarHBondContact CA-O 3.32Å
419	Q	90.3	Very high	85.6	Confident	57 Å²	57	52.3 Å²	52.3	27%	0.266	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156	177.5	-65.7	-171.7	73.4	0	0	109.8	L406 C407 W408 K433 A434	L406-Q419 HydrophobicContact CD1-CB 4.47Å; C407-Q419 PolarHBondContact O-NE2 2.92Å; W408-Q419 HydrophobicContact CZ3-CG 4.32Å; Q419-K433 CarbonylContact O-C 3.49Å; Q419-K433 VanDerWaalsContact O-CA 3.26Å; Q419-K433 WeakPolarHBondContact O-CA 3.37Å; Q419-A434 PolarHBondContact N-O 2.92Å; Q419-A434 PolarHBondContact O-N 3.16Å
420	N	88.8	Confident	85	Confident	91 Å²	91	52.1 Å²	52.1	49%	0.487	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	144.9	176.5	-76.7	69.5	0	0	0	111.4	P430 E432	N420-P430 PolarHBondContact ND2-O 3.16Å; N420-E432 CarbonylContact C-O 3.53Å; N420-E432 WeakPolarHBondContact CA-O 3.47Å
421	C	88.1	Confident	84.4	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.041	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-61.3	145.7	176.2	-58.1	0	0	0	0	110.7	F428 D429 E432 C460	C421-F428 HydrophobicContact CB-CD2 4.44Å; C421-D429 VanDerWaalsContact CB-O 3.27Å; C421-D429 WeakPolarHBondContact CB-O 3.41Å; C421-E432 PolarHBondContact N-O 2.98Å; C421-E432 PolarHBondContact SG-O 3.25Å; C421-C460 HydrophobicContact CB-CB 3.78Å; C421-C460 WeakPolarHBondContact CB-SG 3.35Å; C421-C460 WeakPolarHBondContact SG-CA 3.45Å; C421-C460 WeakPolarHBondContact SG-CB 3.21Å; C421-C460 CovalentContact SG-SG 2.03Å; C421-C460 PolarHBondContact SG-SG 3.18Å
422	P	87.4	Confident	84	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.039	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-63.5	139	179.1	21.3	-30	0	0	0	112.3	L406 Y424 F425 F428	L406-P422 HydrophobicContact CD2-CB 4.2Å; L406-P422 HydrophobicContact CD2-CG 4.42Å; P422-Y424 VanDerWaalsContact C-N 3.32Å; P422-Y424 HydrophobicContact CB-CD1 3.78Å; P422-Y424 HydrophobicContact CB-CD2 4.43Å; P422-Y424 HydrophobicContact CB-CE1 3.22Å; P422-Y424 HydrophobicContact CB-CE2 3.97Å; P422-Y424 HydrophobicContact CB-CG 4.33Å; P422-Y424 HydrophobicContact CG-CE1 4.35Å; P422-Y424 HydrophobicContact CG-CE2 4.42Å; P422-Y424 PolarHBondContact O-N 3.44Å; P422-F425 HydrophobicContact CG-CD2 3.97Å; P422-F425 HydrophobicContact CG-CE2 4.11Å; P422-F428 HydrophobicContact CG-CD2 3.75Å; P422-F428 HydrophobicContact CG-CE2 4.05Å
423	N	78.4	Confident	83.7	Confident	112 Å²	112	60.7 Å²	60.7	60%	0.599	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	17.5	-176.9	70.6	-7.4	0	0	0	114.3	P430	N423-P430 HydrophobicContact CB-CB 4.09Å
424	Y	78.2	Confident	83.6	Confident	6 Å²	6	59.2 Å²	59.2	2%	0.024	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.5	-176.1	56.4	-108.4	0	0	0	113.5	V370 K373 I374 N377 W405 P422	V370-Y424 HydrophobicContact CG1-CD2 4.14Å; V370-Y424 WeakPolarHBondContact CG2-O 3.47Å; K373-Y424 HydrophobicContact CB-CD1 4.29Å; K373-Y424 HydrophobicContact CB-CG 4.08Å; K373-Y424 VanDerWaalsContact CD-CB 3.43Å; I374-Y424 HydrophobicContact CD1-CD2 4.35Å; I374-Y424 HydrophobicContact CD1-CE2 3.89Å; I374-Y424 HydrophobicContact CG1-CD2 3.8Å; I374-Y424 HydrophobicContact CG1-CE2 3.31Å; N377-Y424 WeakPolarHBondContact ND2-CD1 3.27Å; N377-Y424 WeakPolarHBondContact ND2-CE1 3.38Å; W405-Y424 VanDerWaalsContact C-OH 3.27Å; W405-Y424 WeakPolarHBondContact CA-OH 3.27Å; W405-Y424 WeakPolarHBondContact CB-OH 3.24Å; W405-Y424 PolarHBondContact O-OH 2.87Å; P422-Y424 VanDerWaalsContact C-N 3.32Å; P422-Y424 HydrophobicContact CB-CD1 3.78Å; P422-Y424 HydrophobicContact CB-CD2 4.43Å; P422-Y424 HydrophobicContact CB-CE1 3.22Å; P422-Y424 HydrophobicContact CB-CE2 3.97Å; P422-Y424 HydrophobicContact CB-CG 4.33Å; P422-Y424 HydrophobicContact CG-CE1 4.35Å; P422-Y424 HydrophobicContact CG-CE2 4.42Å; P422-Y424 PolarHBondContact O-N 3.44Å
425	F	76.8	Confident	83.7	Confident	48 Å²	48	59.3 Å²	59.3	21%	0.211	31%	0.31	C	S	.	.	S	Bend	trans	-105	136.4	165	-63.4	-69.6	0	0	0	108.7	V370 I374 W405 P422 D427 F428	V370-F425 HydrophobicContact CG1-CD1 3.95Å; V370-F425 HydrophobicContact CG1-CE1 3.82Å; I374-F425 HydrophobicContact CD1-CE1 4.26Å; I374-F425 HydrophobicContact CD1-CZ 4.02Å; W405-F425 AromaticContact CD1-CZ 3.86Å; W405-F425 AromaticContact CD2-CE2 3.98Å; W405-F425 HydrophobicContact CD2-CE2 3.98Å; W405-F425 HydrophobicContact CD2-CZ 4.21Å; W405-F425 AromaticContact CE2-CZ 3.95Å; W405-F425 HydrophobicContact CE3-CE2 4.42Å; W405-F425 HydrophobicContact CG-CE2 4.02Å; W405-F425 HydrophobicContact CG-CZ 4.22Å; W405-F425 AromaticContact NE1-CZ 3.74Å; P422-F425 HydrophobicContact CG-CD2 3.97Å; P422-F425 HydrophobicContact CG-CE2 4.11Å; F425-D427 PolarHBondContact O-N 2.99Å; F425-F428 HydrophobicContact CB-CB 4.02Å; F425-F428 HydrophobicContact CB-CD1 4.11Å; F425-F428 HydrophobicContact CB-CD2 4.41Å; F425-F428 HydrophobicContact CB-CG 3.92Å; F425-F428 AromaticContact CD2-CD2 3.76Å; F425-F428 HydrophobicContact CD2-CD2 3.76Å; F425-F428 AromaticContact CD2-CE2 3.85Å; F425-F428 HydrophobicContact CD2-CE2 3.85Å; F425-F428 HydrophobicContact CD2-CG 4.12Å; F425-F428 HydrophobicContact CD2-CZ 4.29Å; F425-F428 HydrophobicContact CE2-CE2 4.21Å; F425-F428 HydrophobicContact CG-CD2 4.49Å; F425-F428 HydrophobicContact CG-CG 4.42Å; F425-F428 PolarHBondContact O-N 2.9Å
426	D	66.6	Low	83.7	Confident	120 Å²	120	56.9 Å²	56.9	64%	0.642	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	-179.5	-61.4	-39.7	0	0	0	111.6
427	D	71.3	Confident	83.8	Confident	99 Å²	99	51.6 Å²	51.6	53%	0.529	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.8	-177.5	-51	-44.8	0	0	0	113.8	F425 N461 T464	F425-D427 PolarHBondContact O-N 2.99Å; D427-N461 PolarHBondContact O-OD1 3.37Å; D427-T464 WeakPolarHBondContact O-CB 3.47Å; D427-T464 WeakPolarHBondContact O-CG2 3.18Å; D427-T464 PolarHBondContact O-OG1 3.47Å
428	F	79	Confident	83.8	Confident	32 Å²	32	50.4 Å²	50.4	14%	0.14	27%	0.267	C	S	.	.			trans	-99.9	139.1	-177.1	-81.2	24.4	0	0	0	111.4	W405 C421 P422 F425 P430 Y457 C460 N461	W405-F428 AromaticContact CE3-CE2 3.97Å; W405-F428 HydrophobicContact CE3-CE2 3.97Å; W405-F428 HydrophobicContact CE3-CZ 4.14Å; W405-F428 HydrophobicContact CH2-CZ 4.05Å; W405-F428 AromaticContact CZ3-CE2 3.85Å; W405-F428 HydrophobicContact CZ3-CE2 3.85Å; W405-F428 AromaticContact CZ3-CZ 3.56Å; W405-F428 HydrophobicContact CZ3-CZ 3.56Å; C421-F428 HydrophobicContact CB-CD2 4.44Å; P422-F428 HydrophobicContact CG-CD2 3.75Å; P422-F428 HydrophobicContact CG-CE2 4.05Å; F425-F428 HydrophobicContact CB-CB 4.02Å; F425-F428 HydrophobicContact CB-CD1 4.11Å; F425-F428 HydrophobicContact CB-CD2 4.41Å; F425-F428 HydrophobicContact CB-CG 3.92Å; F425-F428 AromaticContact CD2-CD2 3.76Å; F425-F428 HydrophobicContact CD2-CD2 3.76Å; F425-F428 AromaticContact CD2-CE2 3.85Å; F425-F428 HydrophobicContact CD2-CE2 3.85Å; F425-F428 HydrophobicContact CD2-CG 4.12Å; F425-F428 HydrophobicContact CD2-CZ 4.29Å; F425-F428 HydrophobicContact CE2-CE2 4.21Å; F425-F428 HydrophobicContact CG-CD2 4.49Å; F425-F428 HydrophobicContact CG-CG 4.42Å; F425-F428 PolarHBondContact O-N 2.9Å; F428-P430 VanDerWaalsContact O-CD 3.23Å; F428-P430 WeakPolarHBondContact O-CD 3.12Å; F428-Y457 AromaticContact CE2-CD1 3.95Å; F428-Y457 HydrophobicContact CE2-CD1 3.95Å; F428-Y457 HydrophobicContact CE2-CG 4.49Å; F428-C460 WeakPolarHBondContact CA-O 3.34Å; F428-C460 HydrophobicContact CB-CB 4.42Å; F428-C460 HydrophobicContact CD1-CB 4.32Å; F428-C460 HydrophobicContact CD2-CB 3.77Å; F428-C460 HydrophobicContact CE2-CB 4.06Å; F428-C460 HydrophobicContact CG-CB 3.93Å; F428-C460 HydrophobicContact CZ-CB 4.45Å; F428-N461 HydrophobicContact CE1-CB 4.45Å
429	D	75.3	Confident	83.8	Confident	9 Å²	9	48 Å²	48	5%	0.048	25%	0.251	C	S	.	.			trans	-90.2	104.8	174.1	-171.7	-9.3	0	0	0	111.1	C421 T431 E432 C460 K467	C421-D429 VanDerWaalsContact CB-O 3.27Å; C421-D429 WeakPolarHBondContact CB-O 3.41Å; D429-T431 PolarHBondContact O-N 2.95Å; D429-T431 VanDerWaalsContact O-N 3.12Å; D429-T431 PolarHBondContact OD1-N 3.34Å; D429-T431 PolarHBondContact OD1-OG1 3.39Å; D429-E432 HydrophobicContact CB-CB 4.27Å; D429-E432 HydrophobicContact CB-CG 3.85Å; D429-E432 WeakPolarHBondContact O-CB 3.34Å; D429-E432 PolarHBondContact O-N 2.95Å; D429-C460 PolarHBondContact N-O 3.49Å; D429-K467 IonicContact OD1-NZ 2.84Å; D429-K467 PolarHBondContact OD1-NZ 3.36Å; D429-K467 VanDerWaalsContact OD1-NZ 3.11Å; D429-K467 WeakPolarHBondContact OD2-CE 3.35Å; D429-K467 IonicContact OD2-NZ 2.67Å; D429-K467 PolarHBondContact OD2-NZ 2.99Å
430	P	79.2	Confident	84	Confident	60 Å²	60	52.7 Å²	52.7	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.5	-176.2	27.3	-33.8	0	0	0	113.8	N420 N423 F428 E432	N420-P430 PolarHBondContact ND2-O 3.16Å; N423-P430 HydrophobicContact CB-CB 4.09Å; F428-P430 VanDerWaalsContact O-CD 3.23Å; F428-P430 WeakPolarHBondContact O-CD 3.12Å; P430-E432 VanDerWaalsContact C-N 3.33Å
431	T	77.8	Confident	84.1	Confident	98 Å²	98	53.3 Å²	53.3	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.7	172.8	66.1	0	0	0	0	113	D429	D429-T431 PolarHBondContact O-N 2.95Å; D429-T431 VanDerWaalsContact O-N 3.12Å; D429-T431 PolarHBondContact OD1-N 3.34Å; D429-T431 PolarHBondContact OD1-OG1 3.39Å
432	E	83	Confident	84.1	Confident	52 Å²	52	53.4 Å²	53.4	24%	0.243	28%	0.279	C	S	.	.	S	Bend	trans	-81.9	168.1	177.6	-66.3	-66.1	169.7	0	0	111.1	N420 C421 D429 P430	N420-E432 CarbonylContact C-O 3.53Å; N420-E432 WeakPolarHBondContact CA-O 3.47Å; C421-E432 PolarHBondContact N-O 2.98Å; C421-E432 PolarHBondContact SG-O 3.25Å; D429-E432 HydrophobicContact CB-CB 4.27Å; D429-E432 HydrophobicContact CB-CG 3.85Å; D429-E432 WeakPolarHBondContact O-CB 3.34Å; D429-E432 PolarHBondContact O-N 2.95Å; P430-E432 VanDerWaalsContact C-N 3.33Å
433	K	85.9	Confident	84.3	Confident	109 Å²	109	58.1 Å²	58.1	47%	0.474	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.3	-177.4	-63.9	-175.6	-178.2	-179.3	0	112.1	Q419	Q419-K433 CarbonylContact O-C 3.49Å; Q419-K433 VanDerWaalsContact O-CA 3.26Å; Q419-K433 WeakPolarHBondContact O-CA 3.37Å
434	A	91.1	Very high	84.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	146.7	163.8	0	0	0	0	0	109.7	L406 W408 S418 Q419 N456 Y457	L406-A434 HydrophobicContact CD1-CB 4.01Å; W408-A434 HydrophobicContact CH2-CB 4.3Å; W408-A434 HydrophobicContact CZ2-CB 4.42Å; S418-A434 VanDerWaalsContact CA-O 3.27Å; S418-A434 WeakPolarHBondContact CA-O 3.32Å; Q419-A434 PolarHBondContact N-O 2.92Å; Q419-A434 PolarHBondContact O-N 3.16Å; A434-N456 WeakPolarHBondContact CA-O 3.17Å; A434-Y457 HydrophobicContact CB-CD1 3.51Å; A434-Y457 HydrophobicContact CB-CE1 3.42Å; A434-Y457 VanDerWaalsContact CB-CE1 3.42Å; A434-Y457 HydrophobicContact CB-CG 4.3Å
435	T	91.7	Very high	85.6	Confident	37 Å²	37	57.3 Å²	57.3	23%	0.227	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	-179.1	57.9	0	0	0	0	112.4	T417 N456	T417-T435 WeakPolarHBondContact O-CA 3.21Å; T435-N456 PolarHBondContact N-O 2.98Å; T435-N456 PolarHBondContact O-N 3.3Å; T435-N456 WeakPolarHBondContact OG1-CB 3.38Å
436	K	92.9	Very high	86.2	Confident	1 Å²	1	61 Å²	61	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.4	176.7	-165.1	176.5	-171.4	169.5	0	110.4	N401 W408 Y416 T417 W444	N401-K436 PolarHBondContact ND2-NZ 3.42Å; N401-K436 PolarHBondContact OD1-NZ 3.06Å; W408-K436 HydrophobicContact CB-CD 4.33Å; W408-K436 HydrophobicContact CD2-CB 3.89Å; W408-K436 HydrophobicContact CD2-CD 3.55Å; W408-K436 HydrophobicContact CD2-CG 4.39Å; W408-K436 HydrophobicContact CE3-CB 3.76Å; W408-K436 HydrophobicContact CE3-CD 4.19Å; W408-K436 HydrophobicContact CG-CD 3.59Å; W408-K436 HydrophobicContact CH2-CB 3.66Å; W408-K436 HydrophobicContact CZ2-CB 3.8Å; W408-K436 HydrophobicContact CZ2-CD 4.32Å; W408-K436 HydrophobicContact CZ3-CB 3.65Å; Y416-K436 WeakPolarHBondContact CA-O 3.44Å; T417-K436 HydrophobicContact CG2-CB 3.97Å; T417-K436 WeakPolarHBondContact CG2-O 3.05Å; T417-K436 PolarHBondContact N-O 3.16Å; T417-K436 PolarHBondContact O-N 3.01Å; K436-W444 HydrophobicContact CB-CZ3 4.15Å; K436-W444 HydrophobicContact CD-CD2 4.09Å; K436-W444 HydrophobicContact CD-CE3 3.57Å; K436-W444 HydrophobicContact CD-CH2 4.13Å; K436-W444 HydrophobicContact CD-CZ3 3.59Å; K436-W444 HydrophobicContact CG-CE3 3.59Å; K436-W444 HydrophobicContact CG-CZ3 3.63Å
437	Y	93.6	Very high	87.1	Confident	55 Å²	55	57.7 Å²	57.7	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.2	-176.6	-177	-119.6	0	0	0	111.6	Y416 F445	Y416-Y437 AromaticContact CD1-CD2 3.9Å; Y416-Y437 HydrophobicContact CD1-CD2 3.9Å; Y416-Y437 HydrophobicContact CD1-CG 4.3Å; Y416-Y437 AromaticContact CD2-CD2 3.73Å; Y416-Y437 HydrophobicContact CD2-CD2 3.73Å; Y416-Y437 HydrophobicContact CD2-CE2 4.17Å; Y416-Y437 AromaticContact CE1-CD2 3.67Å; Y416-Y437 HydrophobicContact CE1-CD2 3.67Å; Y416-Y437 AromaticContact CE1-CG 3.87Å; Y416-Y437 HydrophobicContact CE1-CG 3.87Å; Y416-Y437 AromaticContact CE2-CD2 3.47Å; Y416-Y437 HydrophobicContact CE2-CD2 3.47Å; Y416-Y437 VanDerWaalsContact CE2-CD2 3.47Å; Y416-Y437 AromaticContact CE2-CE2 3.76Å; Y416-Y437 HydrophobicContact CE2-CE2 3.76Å; Y416-Y437 HydrophobicContact CE2-CG 4.39Å; Y416-Y437 AromaticContact CG-CD2 3.93Å; Y416-Y437 HydrophobicContact CG-CD2 3.93Å; Y416-Y437 AromaticContact CZ-CD2 3.43Å; Y416-Y437 VanDerWaalsContact CZ-CD2 3.43Å; Y416-Y437 AromaticContact CZ-CG 3.9Å; Y437-F445 HydrophobicContact CD1-CB 4.04Å; Y437-F445 HydrophobicContact CD1-CD2 4.23Å; Y437-F445 HydrophobicContact CD1-CG 4.44Å; Y437-F445 WeakPolarHBondContact O-CB 3.21Å; Y437-F445 PolarHBondContact O-N 2.99Å
438	C	93.6	Very high	87.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-96.3	119.4	168.9	-177.8	0	0	0	0	109.4	C398 T411 G414 T415 W444	C398-C438 HydrophobicContact CB-CB 3.88Å; C398-C438 WeakPolarHBondContact CB-SG 3.38Å; C398-C438 PolarHBondContact N-SG 2.89Å; C398-C438 WeakPolarHBondContact SG-CA 3.46Å; C398-C438 WeakPolarHBondContact SG-CB 3.2Å; C398-C438 CovalentContact SG-SG 2.03Å; C398-C438 PolarHBondContact SG-SG 2.96Å; T411-C438 HydrophobicContact CG2-CB 3.95Å; T411-C438 PolarHBondContact O-SG 3.47Å; G414-C438 WeakPolarHBondContact CA-O 3.24Å; G414-C438 PolarHBondContact N-O 3.27Å; T415-C438 PolarHBondContact N-O 3.28Å; T415-C438 PolarHBondContact O-N 3.14Å; C438-W444 HydrophobicContact CB-CE3 4.39Å; C438-W444 HydrophobicContact CB-CZ3 4.22Å
439	G	92	Very high	88.2	Confident	9 Å²	9	63.1 Å²	63.1	9%	0.093	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-63.6	160.6	179.1	0	0	0	0	0	112.6	A413 G414 D441 G442 Q443	A413-G439 WeakPolarHBondContact CA-O 3.46Å; A413-G439 VanDerWaalsContact CB-O 3.3Å; A413-G439 WeakPolarHBondContact CB-O 3.49Å; G414-G439 PolarHBondContact N-O 3.06Å; G439-D441 WeakPolarHBondContact CA-OD1 3.34Å; G439-D441 PolarHBondContact O-N 3.24Å; G439-G442 PolarHBondContact O-N 2.84Å; G439-G442 VanDerWaalsContact O-N 3.09Å; G439-Q443 WeakPolarHBondContact CA-O 3.34Å; G439-Q443 PolarHBondContact N-O 3.3Å
440	E	92.7	Very high	88.6	Confident	157 Å²	157	66.7 Å²	66.7	73%	0.734	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.1	176.2	-64.5	-176.2	178.6	0	0	112.3	G442	E440-G442 PolarHBondContact O-N 2.92Å
441	D	91.1	Very high	88.9	Confident	104 Å²	104	69 Å²	69	56%	0.556	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-2	175.1	64.5	-19.4	0	0	0	113.7	G439 Q443	G439-D441 WeakPolarHBondContact CA-OD1 3.34Å; G439-D441 PolarHBondContact O-N 3.24Å; D441-Q443 VanDerWaalsContact C-N 3.28Å; D441-Q443 PolarHBondContact OD1-N 3.05Å; D441-Q443 VanDerWaalsContact OD1-N 3.11Å; D441-Q443 WeakPolarHBondContact OD2-CB 3.44Å
442	G	88.8	Confident	89.3	Confident	8 Å²	8	73.3 Å²	73.3	8%	0.082	36%	0.357	C	S	.	.	S	Bend	trans	74.2	18.1	-175.5	0	0	0	0	0	113.4	C398 G439 E440	C398-G442 VanDerWaalsContact SG-C 3.52Å; G439-G442 PolarHBondContact O-N 2.84Å; G439-G442 VanDerWaalsContact O-N 3.09Å; E440-G442 PolarHBondContact O-N 2.92Å
443	Q	90.6	Very high	89.4	Confident	105 Å²	105	73.9 Å²	73.9	49%	0.491	36%	0.364	S	S	.	.	S	Bend	trans	-108.7	146.8	173.3	-63.1	-67.4	-43.6	0	0	111.1	C398 G439 D441	C398-Q443 PolarHBondContact SG-O 1.98Å; C398-Q443 VanDerWaalsContact SG-O 3.38Å; G439-Q443 WeakPolarHBondContact CA-O 3.34Å; G439-Q443 PolarHBondContact N-O 3.3Å; D441-Q443 VanDerWaalsContact C-N 3.28Å; D441-Q443 PolarHBondContact OD1-N 3.05Å; D441-Q443 VanDerWaalsContact OD1-N 3.11Å; D441-Q443 WeakPolarHBondContact OD2-CB 3.44Å
444	W	92.1	Very high	89.5	Confident	16 Å²	16	73.1 Å²	73.1	6%	0.061	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-64.4	138.8	173.4	-70.3	108.8	0	0	0	110.7	C398 S399 N401 W408 T417 K436 C438 R446 T453	C398-W444 HydrophobicContact CB-CD2 3.67Å; C398-W444 VanDerWaalsContact CB-CE2 3.4Å; C398-W444 HydrophobicContact CB-CE3 4.09Å; C398-W444 HydrophobicContact CB-CG 4.17Å; C398-W444 HydrophobicContact CB-CH2 4.07Å; C398-W444 HydrophobicContact CB-CZ2 3.63Å; C398-W444 HydrophobicContact CB-CZ3 4.27Å; S399-W444 PolarHBondContact O-NE1 2.87Å; N401-W444 PolarHBondContact ND2-NE1 3.04Å; N401-W444 VanDerWaalsContact ND2-NE1 3.16Å; W408-W444 HydrophobicContact CB-CH2 4.25Å; W408-W444 HydrophobicContact CB-CZ2 4.24Å; T417-W444 HydrophobicContact CG2-CH2 3.95Å; T417-W444 HydrophobicContact CG2-CZ3 3.95Å; K436-W444 HydrophobicContact CB-CZ3 4.15Å; K436-W444 HydrophobicContact CD-CD2 4.09Å; K436-W444 HydrophobicContact CD-CE3 3.57Å; K436-W444 HydrophobicContact CD-CH2 4.13Å; K436-W444 HydrophobicContact CD-CZ3 3.59Å; K436-W444 HydrophobicContact CG-CE3 3.59Å; K436-W444 HydrophobicContact CG-CZ3 3.63Å; C438-W444 HydrophobicContact CB-CE3 4.39Å; C438-W444 HydrophobicContact CB-CZ3 4.22Å; W444-R446 PolarHBondContact O-N 2.91Å; W444-T453 HydrophobicContact CB-CG2 3.83Å
445	F	91.8	Very high	89.5	Confident	84 Å²	84	73.8 Å²	73.8	37%	0.368	36%	0.363	S	S	.	.			trans	-53.4	132.9	176.2	-179.5	-98.5	0	0	0	111.5	Y437 T453 W454	Y437-F445 HydrophobicContact CD1-CB 4.04Å; Y437-F445 HydrophobicContact CD1-CD2 4.23Å; Y437-F445 HydrophobicContact CD1-CG 4.44Å; Y437-F445 WeakPolarHBondContact O-CB 3.21Å; Y437-F445 PolarHBondContact O-N 2.99Å; F445-T453 WeakPolarHBondContact O-CA 3.32Å; F445-W454 HydrophobicContact CD1-CB 4.15Å; F445-W454 HydrophobicContact CD1-CD2 4.42Å; F445-W454 AromaticContact CD1-CE3 3.73Å; F445-W454 HydrophobicContact CD1-CE3 3.73Å; F445-W454 HydrophobicContact CD1-CZ3 4.48Å; F445-W454 HydrophobicContact CE1-CD2 4.42Å; F445-W454 AromaticContact CE1-CE3 3.9Å; F445-W454 HydrophobicContact CE1-CE3 3.9Å; F445-W454 HydrophobicContact CE1-CZ3 4.46Å; F445-W454 PolarHBondContact O-N 2.88Å
446	R	89.6	Confident	89.4	Confident	126 Å²	126	74 Å²	74	48%	0.475	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-110.5	135.8	178.5	-61.9	-173	179.8	-157.9	1.7	110.1	W444 N451 R452	W444-R446 PolarHBondContact O-N 2.91Å; R446-N451 WeakPolarHBondContact CD-OD1 3.35Å; R446-R452 CarbonylContact C-O 3.14Å; R446-R452 VanDerWaalsContact CA-O 3.27Å; R446-R452 WeakPolarHBondContact CA-O 3.5Å
447	H	86.4	Confident	89.1	Confident	51 Å²	51	75.3 Å²	75.3	24%	0.236	37%	0.368	C	S	.	.			trans	-65.9	135.5	178.3	-164.3	-87.3	0	0	0	110.8	D449 T450 N451 R452 W454	H447-D449 VanDerWaalsContact C-N 3.3Å; H447-D449 IonicContact CE1-OD2 3.47Å; H447-D449 PolarHBondContact CE1-OD2 3.38Å; H447-D449 PolarHBondContact ND1-N 2.9Å; H447-D449 IonicContact ND1-OD2 2.94Å; H447-D449 PolarHBondContact O-N 2.99Å; H447-T450 WeakPolarHBondContact CB-OG1 3.41Å; H447-T450 PolarHBondContact O-N 3.5Å; H447-N451 WeakPolarHBondContact O-CA 3.33Å; H447-N451 PolarHBondContact O-N 2.81Å; H447-R452 PolarHBondContact N-O 3.32Å; H447-W454 HydrophobicContact CB-CB 4.13Å; H447-W454 HydrophobicContact CB-CG 4.42Å; H447-W454 AromaticContact CD2-CD1 3.69Å; H447-W454 AromaticContact CD2-NE1 3.92Å
448	P	86.9	Confident	88.7	Confident	107 Å²	107	76.7 Å²	76.7	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.9	-177.4	20.6	-31.7	0	0	0	112.9
449	D	85.9	Confident	88	Confident	138 Å²	138	80.5 Å²	80.5	74%	0.738	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-31.1	-175.3	-54.5	-39.3	0	0	0	114.7	H447	H447-D449 VanDerWaalsContact C-N 3.3Å; H447-D449 IonicContact CE1-OD2 3.47Å; H447-D449 PolarHBondContact CE1-OD2 3.38Å; H447-D449 PolarHBondContact ND1-N 2.9Å; H447-D449 IonicContact ND1-OD2 2.94Å; H447-D449 PolarHBondContact O-N 2.99Å
450	T	84.4	Confident	87.6	Confident	84 Å²	84	80 Å²	80	52%	0.515	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-10.6	-172.9	64	0	0	0	0	113.6	H447 R452	H447-T450 WeakPolarHBondContact CB-OG1 3.41Å; H447-T450 PolarHBondContact O-N 3.5Å; T450-R452 PolarHBondContact O-N 3.39Å
451	N	85.8	Confident	87.1	Confident	108 Å²	108	76.2 Å²	76.2	58%	0.578	38%	0.382	S	S	*	.			trans	51.3	22.9	-175.9	-161.2	12.1	0	0	0	114.1	R446 H447	R446-N451 WeakPolarHBondContact CD-OD1 3.35Å; H447-N451 WeakPolarHBondContact O-CA 3.33Å; H447-N451 PolarHBondContact O-N 2.81Å
452	R	84.6	Confident	86.1	Confident	189 Å²	189	77.7 Å²	77.7	71%	0.713	39%	0.386	S	S	*	.	S	Bend	trans	-99.2	150.6	175.3	-70.1	-179.2	-179.5	174.9	0.8	109.9	R446 H447 T450 W454	R446-R452 CarbonylContact C-O 3.14Å; R446-R452 VanDerWaalsContact CA-O 3.27Å; R446-R452 WeakPolarHBondContact CA-O 3.5Å; H447-R452 PolarHBondContact N-O 3.32Å; T450-R452 PolarHBondContact O-N 3.39Å; R452-W454 PolarHBondContact O-N 2.6Å
453	T	87.1	Confident	85	Confident	63 Å²	63	78 Å²	78	39%	0.387	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-56.5	129.3	171.3	53.3	0	0	0	0	109.5	W444 F445	W444-T453 HydrophobicContact CB-CG2 3.83Å; F445-T453 WeakPolarHBondContact O-CA 3.32Å
454	W	87.4	Confident	84	Confident	94 Å²	94	74.3 Å²	74.3	36%	0.356	37%	0.37	S	S	.	.			trans	-117.8	140.9	-171.1	178.4	84.1	0	0	0	111.7	F445 H447 R452 N456	F445-W454 HydrophobicContact CD1-CB 4.15Å; F445-W454 HydrophobicContact CD1-CD2 4.42Å; F445-W454 AromaticContact CD1-CE3 3.73Å; F445-W454 HydrophobicContact CD1-CE3 3.73Å; F445-W454 HydrophobicContact CD1-CZ3 4.48Å; F445-W454 HydrophobicContact CE1-CD2 4.42Å; F445-W454 AromaticContact CE1-CE3 3.9Å; F445-W454 HydrophobicContact CE1-CE3 3.9Å; F445-W454 HydrophobicContact CE1-CZ3 4.46Å; F445-W454 PolarHBondContact O-N 2.88Å; H447-W454 HydrophobicContact CB-CB 4.13Å; H447-W454 HydrophobicContact CB-CG 4.42Å; H447-W454 AromaticContact CD2-CD1 3.69Å; H447-W454 AromaticContact CD2-NE1 3.92Å; R452-W454 PolarHBondContact O-N 2.6Å; W454-N456 HydrophobicContact CH2-CB 3.33Å; W454-N456 HydrophobicContact CZ2-CB 3.8Å; W454-N456 HydrophobicContact CZ3-CB 3.75Å
455	S	90.6	Very high	82.9	Confident	13 Å²	13	81.8 Å²	81.8	9%	0.091	40%	0.403	C	S	.	.			trans	-124.9	137.4	173.9	-54.6	0	0	0	0	107.8	D403 W408 Y457	D403-S455 VanDerWaalsContact OD2-CB 3.32Å; D403-S455 WeakPolarHBondContact OD2-CB 3.32Å; D403-S455 PolarHBondContact OD2-OG 3.41Å; W408-S455 PolarHBondContact NE1-OG 3.46Å; S455-Y457 VanDerWaalsContact CB-CE2 3.47Å
456	N	89.3	Confident	81.9	Confident	42 Å²	42	80.1 Å²	80.1	23%	0.225	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-87.6	110.7	179.7	-167.7	-16.8	0	0	0	110.6	A434 T435 W454 T458	A434-N456 WeakPolarHBondContact CA-O 3.17Å; T435-N456 PolarHBondContact N-O 2.98Å; T435-N456 PolarHBondContact O-N 3.3Å; T435-N456 WeakPolarHBondContact OG1-CB 3.38Å; W454-N456 HydrophobicContact CH2-CB 3.33Å; W454-N456 HydrophobicContact CZ2-CB 3.8Å; W454-N456 HydrophobicContact CZ3-CB 3.75Å; N456-T458 VanDerWaalsContact OD1-CB 3.31Å; N456-T458 WeakPolarHBondContact OD1-CB 3.2Å; N456-T458 PolarHBondContact OD1-N 3.29Å; N456-T458 PolarHBondContact OD1-OG1 3.27Å
457	Y	86.6	Confident	81.1	Confident	29 Å²	29	78.5 Å²	78.5	11%	0.114	40%	0.401	C	S	.	.			trans	-109	9.2	175.4	-70.3	-84.7	0	0	0	113.1	D403 W405 L406 F428 A434 S455 L459 C460	D403-Y457 PolarHBondContact OD1-OH 3.46Å; D403-Y457 WeakPolarHBondContact OD2-CE2 3.31Å; D403-Y457 PolarHBondContact OD2-OH 2.92Å; W405-Y457 HydrophobicContact CD2-CE2 4.46Å; W405-Y457 AromaticContact CE3-CD1 3.87Å; W405-Y457 HydrophobicContact CE3-CD1 3.87Å; W405-Y457 AromaticContact CE3-CD2 3.64Å; W405-Y457 HydrophobicContact CE3-CD2 3.64Å; W405-Y457 AromaticContact CE3-CE1 3.79Å; W405-Y457 HydrophobicContact CE3-CE1 3.79Å; W405-Y457 AromaticContact CE3-CE2 3.52Å; W405-Y457 HydrophobicContact CE3-CE2 3.52Å; W405-Y457 AromaticContact CE3-CG 3.82Å; W405-Y457 HydrophobicContact CE3-CG 3.82Å; W405-Y457 AromaticContact CE3-CZ 3.63Å; W405-Y457 HydrophobicContact CZ3-CD1 4.06Å; W405-Y457 AromaticContact CZ3-CD2 3.56Å; W405-Y457 HydrophobicContact CZ3-CD2 3.56Å; W405-Y457 HydrophobicContact CZ3-CE1 4.43Å; W405-Y457 AromaticContact CZ3-CE2 3.94Å; W405-Y457 HydrophobicContact CZ3-CE2 3.94Å; W405-Y457 AromaticContact CZ3-CG 3.63Å; W405-Y457 HydrophobicContact CZ3-CG 3.63Å; L406-Y457 HydrophobicContact CD1-CE1 3.78Å; L406-Y457 HydrophobicContact CG-CE1 4.26Å; L406-Y457 WeakPolarHBondContact CG-OH 3.39Å; F428-Y457 AromaticContact CE2-CD1 3.95Å; F428-Y457 HydrophobicContact CE2-CD1 3.95Å; F428-Y457 HydrophobicContact CE2-CG 4.49Å; A434-Y457 HydrophobicContact CB-CD1 3.51Å; A434-Y457 HydrophobicContact CB-CE1 3.42Å; A434-Y457 VanDerWaalsContact CB-CE1 3.42Å; A434-Y457 HydrophobicContact CB-CG 4.3Å; S455-Y457 VanDerWaalsContact CB-CE2 3.47Å; Y457-L459 VanDerWaalsContact C-N 3.31Å; Y457-L459 PolarHBondContact O-N 2.84Å; Y457-C460 VanDerWaalsContact O-CB 3.26Å; Y457-C460 WeakPolarHBondContact O-CB 3.47Å; Y457-C460 PolarHBondContact O-N 2.96Å
458	T	84.6	Confident	80.6	Confident	84 Å²	84	80.9 Å²	80.9	52%	0.515	42%	0.415	S	S	.	.	H	α-helix	trans	-55.6	-45.5	-174.4	-57.6	0	0	0	0	111.9	N456 C460 N461 E462	N456-T458 VanDerWaalsContact OD1-CB 3.31Å; N456-T458 WeakPolarHBondContact OD1-CB 3.2Å; N456-T458 PolarHBondContact OD1-N 3.29Å; N456-T458 PolarHBondContact OD1-OG1 3.27Å; T458-C460 PolarHBondContact O-N 3.39Å; T458-N461 PolarHBondContact O-N 3.2Å; T458-N461 VanDerWaalsContact O-N 3.15Å; T458-E462 VanDerWaalsContact O-CB 3.29Å; T458-E462 WeakPolarHBondContact O-CB 3.49Å; T458-E462 PolarHBondContact O-N 2.94Å
459	L	80.8	Confident	80.3	Confident	79 Å²	79	82.6 Å²	82.6	41%	0.414	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-26.8	177.8	-76.9	145.5	0	0	0	113.5	Y457 N461	Y457-L459 VanDerWaalsContact C-N 3.31Å; Y457-L459 PolarHBondContact O-N 2.84Å; L459-N461 VanDerWaalsContact C-N 3.28Å; L459-N461 PolarHBondContact O-N 3.41Å
460	C	82.8	Confident	80	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-69.1	-25.8	179.6	-57.1	0	0	0	0	112.9	C421 F428 D429 Y457 T458	C421-C460 HydrophobicContact CB-CB 3.78Å; C421-C460 WeakPolarHBondContact CB-SG 3.35Å; C421-C460 WeakPolarHBondContact SG-CA 3.45Å; C421-C460 WeakPolarHBondContact SG-CB 3.21Å; C421-C460 CovalentContact SG-SG 2.03Å; C421-C460 PolarHBondContact SG-SG 3.18Å; F428-C460 WeakPolarHBondContact CA-O 3.34Å; F428-C460 HydrophobicContact CB-CB 4.42Å; F428-C460 HydrophobicContact CD1-CB 4.32Å; F428-C460 HydrophobicContact CD2-CB 3.77Å; F428-C460 HydrophobicContact CE2-CB 4.06Å; F428-C460 HydrophobicContact CG-CB 3.93Å; F428-C460 HydrophobicContact CZ-CB 4.45Å; D429-C460 PolarHBondContact N-O 3.49Å; Y457-C460 VanDerWaalsContact O-CB 3.26Å; Y457-C460 WeakPolarHBondContact O-CB 3.47Å; Y457-C460 PolarHBondContact O-N 2.96Å; T458-C460 PolarHBondContact O-N 3.39Å
461	N	81.7	Confident	79.9	Confident	77 Å²	77	75.9 Å²	75.9	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-117.8	-21.1	-176.2	-170.2	23.6	0	0	0	113.4	D427 F428 T458 L459 N463 T464	D427-N461 PolarHBondContact O-OD1 3.37Å; F428-N461 HydrophobicContact CE1-CB 4.45Å; T458-N461 PolarHBondContact O-N 3.2Å; T458-N461 VanDerWaalsContact O-N 3.15Å; L459-N461 VanDerWaalsContact C-N 3.28Å; L459-N461 PolarHBondContact O-N 3.41Å; N461-N463 PolarHBondContact O-N 3.44Å; N461-N463 VanDerWaalsContact O-N 3.07Å; N461-T464 PolarHBondContact O-N 3.47Å; N461-T464 PolarHBondContact O-OG1 3.48Å
462	E	69.9	Low	79.9	Confident	135 Å²	135	76.4 Å²	76.4	63%	0.631	38%	0.377	S	S	*	.	H	α-helix	trans	-55.8	-32.8	-175.6	-172.8	173.6	-177.8	0	0	112.5	T458	T458-E462 VanDerWaalsContact O-CB 3.29Å; T458-E462 WeakPolarHBondContact O-CB 3.49Å; T458-E462 PolarHBondContact O-N 2.94Å
463	N	66.3	Low	80.1	Confident	14 Å²	14	70.7 Å²	70.7	8%	0.075	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-7.9	-174.9	-160.5	38.9	0	0	0	115.4	N461 K465 A466 K467 R692	N461-N463 PolarHBondContact O-N 3.44Å; N461-N463 VanDerWaalsContact O-N 3.07Å; N463-K465 VanDerWaalsContact C-N 3.34Å; N463-K465 PolarHBondContact O-N 3.11Å; N463-A466 PolarHBondContact O-N 3.41Å; N463-K467 PolarHBondContact O-N 3.49Å; N463-R692 VanDerWaalsContact CG-CZ 3.47Å; N463-R692 PolarHBondContact ND2-NH1 2.91Å; N463-R692 PolarHBondContact ND2-NH2 3.49Å; N463-R692 PolarHBondContact OD1-NH1 3.4Å; N463-R692 PolarHBondContact OD1-NH2 3.35Å
464	T	69.4	Low	80.1	Confident	28 Å²	28	68.6 Å²	68.6	17%	0.172	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-40.8	-173.6	-51.1	0	0	0	0	111.2	D427 N461 A466 K467 L468	D427-T464 WeakPolarHBondContact O-CB 3.47Å; D427-T464 WeakPolarHBondContact O-CG2 3.18Å; D427-T464 PolarHBondContact O-OG1 3.47Å; N461-T464 PolarHBondContact O-N 3.47Å; N461-T464 PolarHBondContact O-OG1 3.48Å; T464-A466 PolarHBondContact O-N 3.48Å; T464-K467 PolarHBondContact O-N 2.8Å; T464-L468 WeakPolarHBondContact O-CB 3.4Å; T464-L468 PolarHBondContact O-N 3.36Å
465	K	69.7	Low	80.1	Confident	173 Å²	173	65.4 Å²	65.4	75%	0.752	34%	0.335	S	S	*	.	H	α-helix	trans	-63.1	-39.8	175.9	-64.1	-175.6	-178.6	-177.9	0	112.6	N463 K469	N463-K465 VanDerWaalsContact C-N 3.34Å; N463-K465 PolarHBondContact O-N 3.11Å; K465-K469 WeakPolarHBondContact O-CB 3.38Å; K465-K469 PolarHBondContact O-N 2.86Å
466	A	71.3	Confident	80.1	Confident	48 Å²	48	71.5 Å²	71.5	40%	0.397	36%	0.356	S	S	.	.	H	α-helix	trans	-71	-40.4	178.1	0	0	0	0	0	111.7	N463 T464 K469 S470	N463-A466 PolarHBondContact O-N 3.41Å; T464-A466 PolarHBondContact O-N 3.48Å; A466-K469 PolarHBondContact O-N 3Å; A466-S470 WeakPolarHBondContact O-CB 3.24Å; A466-S470 PolarHBondContact O-N 2.94Å
467	K	71.9	Confident	80.2	Confident	93 Å²	93	71.7 Å²	71.7	40%	0.404	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-44.5	172.9	-77.6	-170.4	167.8	-171.6	0	112	D429 N463 T464 S470 A471	D429-K467 IonicContact OD1-NZ 2.84Å; D429-K467 PolarHBondContact OD1-NZ 3.36Å; D429-K467 VanDerWaalsContact OD1-NZ 3.11Å; D429-K467 WeakPolarHBondContact OD2-CE 3.35Å; D429-K467 IonicContact OD2-NZ 2.67Å; D429-K467 PolarHBondContact OD2-NZ 2.99Å; N463-K467 PolarHBondContact O-N 3.49Å; T464-K467 PolarHBondContact O-N 2.8Å; K467-S470 WeakPolarHBondContact O-CB 3.49Å; K467-S470 PolarHBondContact O-N 3.47Å; K467-A471 WeakPolarHBondContact O-CB 3.35Å; K467-A471 PolarHBondContact O-N 3.07Å
468	L	76.4	Confident	80.4	Confident	101 Å²	101	70.6 Å²	70.6	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-47.5	176.6	-176.2	141.9	0	0	0	111	T464 S470 A471 Y472	T464-L468 WeakPolarHBondContact O-CB 3.4Å; T464-L468 PolarHBondContact O-N 3.36Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-S470 PolarHBondContact O-N 2.86Å; L468-A471 PolarHBondContact O-N 3.36Å; L468-Y472 HydrophobicContact CD1-CE2 4.45Å; L468-Y472 HydrophobicContact CD2-CD2 3.63Å; L468-Y472 HydrophobicContact CD2-CE2 3.56Å; L468-Y472 HydrophobicContact CG-CD2 3.98Å; L468-Y472 HydrophobicContact CG-CE2 3.82Å; L468-Y472 VanDerWaalsContact O-CD2 3.28Å; L468-Y472 WeakPolarHBondContact O-CD2 3.43Å; L468-Y472 PolarHBondContact O-N 3.48Å
469	K	80.1	Confident	80.8	Confident	143 Å²	143	68.6 Å²	68.6	62%	0.622	34%	0.339	S	S	*	.	H	α-helix	trans	-57	-45.5	173.7	-176.2	178.7	179.3	-179.7	0	111.9	K465 A466 Y472 I473	K465-K469 WeakPolarHBondContact O-CB 3.38Å; K465-K469 PolarHBondContact O-N 2.86Å; A466-K469 PolarHBondContact O-N 3Å; K469-Y472 PolarHBondContact O-N 3.19Å; K469-I473 HydrophobicContact CG-CD1 4.01Å; K469-I473 VanDerWaalsContact O-CG1 3.26Å; K469-I473 WeakPolarHBondContact O-CG1 3.5Å; K469-I473 PolarHBondContact O-N 3.01Å
470	S	80.3	Confident	81.5	Confident	21 Å²	21	68.3 Å²	68.3	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-47.3	176.6	-165.2	0	0	0	0	111.2	A466 K467 L468 Y472 I473 L474 Y700	A466-S470 WeakPolarHBondContact O-CB 3.24Å; A466-S470 PolarHBondContact O-N 2.94Å; K467-S470 WeakPolarHBondContact O-CB 3.49Å; K467-S470 PolarHBondContact O-N 3.47Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-S470 PolarHBondContact O-N 2.86Å; S470-Y472 PolarHBondContact O-N 3.48Å; S470-I473 PolarHBondContact O-N 3.37Å; S470-I473 VanDerWaalsContact O-N 3.12Å; S470-L474 WeakPolarHBondContact O-CD1 3.42Å; S470-L474 PolarHBondContact O-N 2.94Å; S470-Y700 PolarHBondContact OG-OH 3.49Å
471	A	82.3	Confident	82.1	Confident	59 Å²	59	68.3 Å²	68.3	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-42.8	177.9	0	0	0	0	0	112.6	K467 L468 L474 F475	K467-A471 WeakPolarHBondContact O-CB 3.35Å; K467-A471 PolarHBondContact O-N 3.07Å; L468-A471 PolarHBondContact O-N 3.36Å; A471-L474 PolarHBondContact O-N 3.42Å; A471-F475 WeakPolarHBondContact O-CB 3.23Å; A471-F475 PolarHBondContact O-N 3.48Å
472	Y	84.9	Confident	82.7	Confident	120 Å²	120	65.1 Å²	65.1	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-42.7	173.7	-86	-75.5	0	0	0	112.3	L468 K469 S470 L474 F475 Y476	L468-Y472 HydrophobicContact CD1-CE2 4.45Å; L468-Y472 HydrophobicContact CD2-CD2 3.63Å; L468-Y472 HydrophobicContact CD2-CE2 3.56Å; L468-Y472 HydrophobicContact CG-CD2 3.98Å; L468-Y472 HydrophobicContact CG-CE2 3.82Å; L468-Y472 VanDerWaalsContact O-CD2 3.28Å; L468-Y472 WeakPolarHBondContact O-CD2 3.43Å; L468-Y472 PolarHBondContact O-N 3.48Å; K469-Y472 PolarHBondContact O-N 3.19Å; S470-Y472 PolarHBondContact O-N 3.48Å; Y472-L474 VanDerWaalsContact C-N 3.34Å; Y472-L474 PolarHBondContact O-N 3.26Å; Y472-F475 WeakPolarHBondContact O-CB 3.47Å; Y472-F475 PolarHBondContact O-N 3.13Å; Y472-Y476 HydrophobicContact CD1-CE2 4.19Å; Y472-Y476 WeakPolarHBondContact O-CD2 3.43Å; Y472-Y476 PolarHBondContact O-N 3.38Å
473	I	88.1	Confident	83.9	Confident	68 Å²	68	61 Å²	61	35%	0.349	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-45.9	176	-66.7	164.4	0	0	0	110.4	K469 S470 F475 Y476 M477 Y700	K469-I473 HydrophobicContact CG-CD1 4.01Å; K469-I473 VanDerWaalsContact O-CG1 3.26Å; K469-I473 WeakPolarHBondContact O-CG1 3.5Å; K469-I473 PolarHBondContact O-N 3.01Å; S470-I473 PolarHBondContact O-N 3.37Å; S470-I473 VanDerWaalsContact O-N 3.12Å; I473-F475 VanDerWaalsContact C-N 3.33Å; I473-F475 PolarHBondContact O-N 2.9Å; I473-Y476 PolarHBondContact O-N 2.93Å; I473-M477 HydrophobicContact CG2-CG 4.47Å; I473-M477 WeakPolarHBondContact O-CB 3Å; I473-M477 WeakPolarHBondContact O-CG 3.38Å; I473-M477 PolarHBondContact O-N 3.39Å; I473-Y700 HydrophobicContact CG2-CE1 3.85Å
474	L	87.1	Confident	85.4	Confident	20 Å²	20	64.3 Å²	64.3	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-41.9	176.3	-89.4	73.3	0	0	0	111.4	S470 A471 Y472 M477 A478 Y700	S470-L474 WeakPolarHBondContact O-CD1 3.42Å; S470-L474 PolarHBondContact O-N 2.94Å; A471-L474 PolarHBondContact O-N 3.42Å; Y472-L474 VanDerWaalsContact C-N 3.34Å; Y472-L474 PolarHBondContact O-N 3.26Å; L474-M477 PolarHBondContact O-N 3.49Å; L474-A478 WeakPolarHBondContact O-CB 3.41Å; L474-A478 PolarHBondContact O-N 2.78Å; L474-Y700 HydrophobicContact CD1-CD1 3.86Å; L474-Y700 HydrophobicContact CD1-CE1 3.35Å; L474-Y700 HydrophobicContact CD1-CE2 4.43Å; L474-Y700 HydrophobicContact CG-CE1 4.45Å
475	F	88.9	Confident	86.6	Confident	27 Å²	27	63 Å²	63	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-49.7	176.7	176.8	-96.5	0	0	0	112.3	A471 Y472 I473 M477 A478 I479 L528 V532 N533	A471-F475 WeakPolarHBondContact O-CB 3.23Å; A471-F475 PolarHBondContact O-N 3.48Å; Y472-F475 WeakPolarHBondContact O-CB 3.47Å; Y472-F475 PolarHBondContact O-N 3.13Å; I473-F475 VanDerWaalsContact C-N 3.33Å; I473-F475 PolarHBondContact O-N 2.9Å; F475-M477 PolarHBondContact O-N 3.38Å; F475-A478 WeakPolarHBondContact O-CB 3.11Å; F475-A478 PolarHBondContact O-N 3.17Å; F475-I479 HydrophobicContact CD1-CD1 3.87Å; F475-I479 HydrophobicContact CE1-CD1 3.3Å; F475-I479 HydrophobicContact CE1-CG1 4.47Å; F475-I479 HydrophobicContact CE2-CD1 4.24Å; F475-I479 HydrophobicContact CZ-CD1 3.52Å; F475-I479 PolarHBondContact O-N 3.27Å; F475-L528 HydrophobicContact CD2-CD2 4.17Å; F475-L528 HydrophobicContact CE2-CB 3.8Å; F475-L528 HydrophobicContact CE2-CD2 4.18Å; F475-L528 HydrophobicContact CE2-CG 4.47Å; F475-L528 HydrophobicContact CZ-CB 4.49Å; F475-V532 HydrophobicContact CD2-CG1 4.21Å; F475-V532 HydrophobicContact CE2-CB 4.26Å; F475-V532 HydrophobicContact CE2-CG1 4.11Å; F475-N533 HydrophobicContact CZ-CB 4.16Å
476	Y	90	Very high	87.9	Confident	140 Å²	140	56.3 Å²	56.3	55%	0.549	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.7	-73.9	-64.8	0	0	0	112.1	Y472 I473 A478 I479 V480	Y472-Y476 HydrophobicContact CD1-CE2 4.19Å; Y472-Y476 WeakPolarHBondContact O-CD2 3.43Å; Y472-Y476 PolarHBondContact O-N 3.38Å; I473-Y476 PolarHBondContact O-N 2.93Å; Y476-A478 VanDerWaalsContact C-N 3.3Å; Y476-A478 PolarHBondContact O-N 2.99Å; Y476-I479 PolarHBondContact O-N 3.17Å; Y476-V480 WeakPolarHBondContact O-CB 2.97Å; Y476-V480 WeakPolarHBondContact O-CG2 3.23Å; Y476-V480 PolarHBondContact O-N 3.25Å
477	M	91.3	Very high	89.2	Confident	47 Å²	47	56.4 Å²	56.4	23%	0.232	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-39	174.5	-77.1	-133.8	-64.9	0	0	112.3	I473 L474 F475 G481 Y700 I704	I473-M477 HydrophobicContact CG2-CG 4.47Å; I473-M477 WeakPolarHBondContact O-CB 3Å; I473-M477 WeakPolarHBondContact O-CG 3.38Å; I473-M477 PolarHBondContact O-N 3.39Å; L474-M477 PolarHBondContact O-N 3.49Å; F475-M477 PolarHBondContact O-N 3.38Å; M477-G481 PolarHBondContact O-N 3.32Å; M477-Y700 HydrophobicContact CE-CD1 3.67Å; M477-Y700 HydrophobicContact CE-CE1 4.19Å; M477-I704 HydrophobicContact CE-CD1 4.02Å; M477-I704 HydrophobicContact CE-CG1 3.71Å; M477-I704 HydrophobicContact SD-CG1 4.29Å
478	A	91.4	Very high	90.3	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-46.7	175.9	0	0	0	0	0	111.7	L474 F475 Y476 G481 H482 L528 H707	L474-A478 WeakPolarHBondContact O-CB 3.41Å; L474-A478 PolarHBondContact O-N 2.78Å; F475-A478 WeakPolarHBondContact O-CB 3.11Å; F475-A478 PolarHBondContact O-N 3.17Å; Y476-A478 VanDerWaalsContact C-N 3.3Å; Y476-A478 PolarHBondContact O-N 2.99Å; A478-G481 PolarHBondContact O-N 3.37Å; A478-H482 WeakPolarHBondContact O-CB 3.27Å; A478-H482 PolarHBondContact O-CD2 2.92Å; A478-H482 PolarHBondContact O-N 3.43Å; A478-L528 HydrophobicContact CB-CD1 3.98Å; A478-H707 WeakPolarHBondContact CB-NE2 3.08Å
479	I	92.8	Very high	91.2	Very high	42 Å²	42	47.7 Å²	47.7	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-50.9	177.4	-69.4	173.4	0	0	0	110.7	F475 Y476 G481 H482 A483 L528 V529	F475-I479 HydrophobicContact CD1-CD1 3.87Å; F475-I479 HydrophobicContact CE1-CD1 3.3Å; F475-I479 HydrophobicContact CE1-CG1 4.47Å; F475-I479 HydrophobicContact CE2-CD1 4.24Å; F475-I479 HydrophobicContact CZ-CD1 3.52Å; F475-I479 PolarHBondContact O-N 3.27Å; Y476-I479 PolarHBondContact O-N 3.17Å; I479-G481 PolarHBondContact O-N 3.45Å; I479-H482 PolarHBondContact O-N 3.5Å; I479-A483 VanDerWaalsContact O-CB 3.26Å; I479-A483 WeakPolarHBondContact O-CB 3.06Å; I479-A483 PolarHBondContact O-N 2.6Å; I479-L528 HydrophobicContact CG1-CD1 4.47Å; I479-V529 HydrophobicContact CD1-CG2 4.47Å
480	V	94.9	Very high	92	Very high	73 Å²	73	45.2 Å²	45.2	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-44.3	-179.2	172.9	0	0	0	0	110.9	Y476 A483 L484	Y476-V480 WeakPolarHBondContact O-CB 2.97Å; Y476-V480 WeakPolarHBondContact O-CG2 3.23Å; Y476-V480 PolarHBondContact O-N 3.25Å; V480-A483 PolarHBondContact O-N 3.06Å; V480-L484 HydrophobicContact CG1-CD1 3.9Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 VanDerWaalsContact O-CG 3.32Å; V480-L484 WeakPolarHBondContact O-CG 3.47Å; V480-L484 PolarHBondContact O-N 3.32Å
481	G	94.6	Very high	92.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-50.3	178.2	0	0	0	0	0	112.5	M477 A478 I479 A483 L484 S485 H707	M477-G481 PolarHBondContact O-N 3.32Å; A478-G481 PolarHBondContact O-N 3.37Å; I479-G481 PolarHBondContact O-N 3.45Å; G481-A483 PolarHBondContact O-N 3.32Å; G481-L484 PolarHBondContact O-N 2.68Å; G481-S485 VanDerWaalsContact O-CB 3.28Å; G481-S485 WeakPolarHBondContact O-CB 3.42Å; G481-S485 PolarHBondContact O-N 3.5Å; G481-H707 CarbonylContact C-O 3.51Å
482	H	95.3	Very high	93.3	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-37.3	177.9	-77.9	-65.6	0	0	0	112.8	A478 I479 S485 I486 S521 I525 H707	A478-H482 WeakPolarHBondContact O-CB 3.27Å; A478-H482 PolarHBondContact O-CD2 2.92Å; A478-H482 PolarHBondContact O-N 3.43Å; I479-H482 PolarHBondContact O-N 3.5Å; H482-S485 WeakPolarHBondContact O-CB 3.03Å; H482-S485 PolarHBondContact O-N 3.31Å; H482-I486 VanDerWaalsContact O-CG1 3.27Å; H482-I486 WeakPolarHBondContact O-CG1 3.08Å; H482-I486 PolarHBondContact O-N 2.79Å; H482-S521 WeakPolarHBondContact ND1-CB 3.49Å; H482-S521 PolarHBondContact ND1-OG 3.02Å; H482-S521 VanDerWaalsContact ND1-OG 3.08Å; H482-I525 HydrophobicContact CB-CD1 3.73Å; H482-I525 HydrophobicContact CB-CG1 3.73Å; H482-H707 AromaticContact CD2-ND1 3.41Å; H482-H707 PolarHBondContact CD2-ND1 3.02Å; H482-H707 AromaticContact CE1-ND1 3.83Å; H482-H707 AromaticContact NE2-CE1 3.71Å; H482-H707 AromaticContact NE2-CG 3.87Å; H482-H707 AromaticContact NE2-ND1 2.87Å; H482-H707 PolarHBondContact NE2-ND1 2.89Å
483	A	96.1	Very high	93.7	Very high	47 Å²	47	40.7 Å²	40.7	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-47	177.1	0	0	0	0	0	111.9	I479 V480 G481 S485 I486 A487	I479-A483 VanDerWaalsContact O-CB 3.26Å; I479-A483 WeakPolarHBondContact O-CB 3.06Å; I479-A483 PolarHBondContact O-N 2.6Å; V480-A483 PolarHBondContact O-N 3.06Å; G481-A483 PolarHBondContact O-N 3.32Å; A483-S485 VanDerWaalsContact C-N 3.32Å; A483-S485 PolarHBondContact O-N 3.25Å; A483-I486 PolarHBondContact O-N 3Å; A483-A487 PolarHBondContact O-N 3.18Å
484	L	95.9	Very high	93.9	Very high	85 Å²	85	40.1 Å²	40.1	45%	0.445	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-38.9	175.2	-69.8	173.7	0	0	0	111.9	V480 G481 S488 Y708	V480-L484 HydrophobicContact CG1-CD1 3.9Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 VanDerWaalsContact O-CG 3.32Å; V480-L484 WeakPolarHBondContact O-CG 3.47Å; V480-L484 PolarHBondContact O-N 3.32Å; G481-L484 PolarHBondContact O-N 2.68Å; L484-S488 WeakPolarHBondContact O-CB 3.26Å; L484-S488 PolarHBondContact O-N 3.11Å; L484-S488 PolarHBondContact O-OG 3.24Å; L484-Y708 HydrophobicContact CD1-CE1 4.12Å
485	S	96.5	Very high	94.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-48.9	174.4	-177	0	0	0	0	111.3	G481 H482 A483 A487 S488 L489 G710 L711	G481-S485 VanDerWaalsContact O-CB 3.28Å; G481-S485 WeakPolarHBondContact O-CB 3.42Å; G481-S485 PolarHBondContact O-N 3.5Å; H482-S485 WeakPolarHBondContact O-CB 3.03Å; H482-S485 PolarHBondContact O-N 3.31Å; A483-S485 VanDerWaalsContact C-N 3.32Å; A483-S485 PolarHBondContact O-N 3.25Å; S485-A487 PolarHBondContact O-N 2.58Å; S485-S488 PolarHBondContact O-N 3.47Å; S485-S488 PolarHBondContact O-OG 2.95Å; S485-L489 VanDerWaalsContact O-CB 3.27Å; S485-L489 WeakPolarHBondContact O-CB 3.48Å; S485-L489 WeakPolarHBondContact O-CD1 3.42Å; S485-L489 WeakPolarHBondContact O-CG 3.5Å; S485-L489 PolarHBondContact O-N 2.88Å; S485-L489 WeakPolarHBondContact OG-CD1 3.27Å; S485-G710 VanDerWaalsContact OG-C 3.31Å; S485-G710 VanDerWaalsContact OG-CA 3.23Å; S485-G710 WeakPolarHBondContact OG-CA 2.99Å; S485-L711 PolarHBondContact OG-N 3.1Å
486	I	96.8	Very high	94.2	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-48.7	177.7	-70.3	166.8	0	0	0	110.8	H482 A483 S488 L489 L490 A522 I525	H482-I486 VanDerWaalsContact O-CG1 3.27Å; H482-I486 WeakPolarHBondContact O-CG1 3.08Å; H482-I486 PolarHBondContact O-N 2.79Å; A483-I486 PolarHBondContact O-N 3Å; I486-S488 PolarHBondContact O-N 2.87Å; I486-L489 PolarHBondContact O-N 3.38Å; I486-L490 HydrophobicContact CG2-CD1 3.65Å; I486-L490 HydrophobicContact CG2-CG 4.09Å; I486-L490 WeakPolarHBondContact O-CB 3.47Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.12Å; I486-A522 HydrophobicContact CD1-CB 4.33Å; I486-I525 HydrophobicContact CD1-CD1 3.68Å
487	A	97.1	Very high	94.2	Very high	50 Å²	50	38.7 Å²	38.7	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-48.9	-179.2	0	0	0	0	0	111.9	A483 S485 I491	A483-A487 PolarHBondContact O-N 3.18Å; S485-A487 PolarHBondContact O-N 2.58Å; A487-I491 WeakPolarHBondContact O-CD1 3.09Å; A487-I491 VanDerWaalsContact O-CG1 3.3Å; A487-I491 WeakPolarHBondContact O-CG1 3.36Å; A487-I491 PolarHBondContact O-N 3.37Å; A487-I491 VanDerWaalsContact O-N 3.17Å
488	S	96	Very high	94.1	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-38.1	179.5	60.7	0	0	0	0	113.5	L484 S485 I486 S492 L711	L484-S488 WeakPolarHBondContact O-CB 3.26Å; L484-S488 PolarHBondContact O-N 3.11Å; L484-S488 PolarHBondContact O-OG 3.24Å; S485-S488 PolarHBondContact O-N 3.47Å; S485-S488 PolarHBondContact O-OG 2.95Å; I486-S488 PolarHBondContact O-N 2.87Å; S488-S492 WeakPolarHBondContact O-CB 3.1Å; S488-S492 PolarHBondContact O-N 3.47Å; S488-S492 PolarHBondContact O-OG 2.93Å; S488-L711 VanDerWaalsContact OG-CD1 3.26Å; S488-L711 WeakPolarHBondContact OG-CD1 3.45Å
489	L	95.6	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.2	-40.1	177	-74.8	165.2	0	0	0	112.3	S485 I486 S492 L493 F514 Y517 V518 A714	S485-L489 VanDerWaalsContact O-CB 3.27Å; S485-L489 WeakPolarHBondContact O-CB 3.48Å; S485-L489 WeakPolarHBondContact O-CD1 3.42Å; S485-L489 WeakPolarHBondContact O-CG 3.5Å; S485-L489 PolarHBondContact O-N 2.88Å; S485-L489 WeakPolarHBondContact OG-CD1 3.27Å; I486-L489 PolarHBondContact O-N 3.38Å; L489-S492 PolarHBondContact O-N 2.87Å; L489-L493 WeakPolarHBondContact O-CB 3.21Å; L489-L493 WeakPolarHBondContact O-CG 3.33Å; L489-L493 PolarHBondContact O-N 2.99Å; L489-F514 HydrophobicContact CD2-CB 4.08Å; L489-F514 HydrophobicContact CD2-CD1 4.06Å; L489-F514 HydrophobicContact CD2-CD2 4.21Å; L489-F514 HydrophobicContact CD2-CG 3.86Å; L489-Y517 HydrophobicContact CD1-CG 4.44Å; L489-V518 HydrophobicContact CB-CG2 3.64Å; L489-V518 HydrophobicContact CD1-CG2 4.16Å; L489-A714 HydrophobicContact CD2-CB 3.9Å; L489-A714 HydrophobicContact CG-CB 4.21Å
490	L	96.4	Very high	93.4	Very high	91 Å²	91	53.6 Å²	53.6	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.9	-73.5	176.9	0	0	0	111.4	I486 S492 L493 A494 V518	I486-L490 HydrophobicContact CG2-CD1 3.65Å; I486-L490 HydrophobicContact CG2-CG 4.09Å; I486-L490 WeakPolarHBondContact O-CB 3.47Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.12Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 2.92Å; L490-L493 PolarHBondContact O-N 2.91Å; L490-A494 WeakPolarHBondContact O-CB 3.26Å; L490-A494 PolarHBondContact O-N 3.3Å; L490-V518 HydrophobicContact CD2-CG1 4.12Å; L490-V518 HydrophobicContact CD2-CG2 4.34Å
491	I	95.2	Very high	92.6	Very high	91 Å²	91	55.9 Å²	55.9	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-45.6	173.4	-66.9	165.6	0	0	0	110.2	A487 A494 I495 F719	A487-I491 WeakPolarHBondContact O-CD1 3.09Å; A487-I491 VanDerWaalsContact O-CG1 3.3Å; A487-I491 WeakPolarHBondContact O-CG1 3.36Å; A487-I491 PolarHBondContact O-N 3.37Å; A487-I491 VanDerWaalsContact O-N 3.17Å; I491-A494 PolarHBondContact O-N 2.92Å; I491-I495 HydrophobicContact CG2-CD1 3.9Å; I491-I495 VanDerWaalsContact O-CG1 3.28Å; I491-I495 WeakPolarHBondContact O-CG1 3.46Å; I491-I495 PolarHBondContact O-N 2.98Å; I491-F719 HydrophobicContact CB-CZ 4.32Å; I491-F719 HydrophobicContact CG2-CE1 4.16Å; I491-F719 HydrophobicContact CG2-CZ 3.83Å
492	S	93.6	Very high	91.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-43	-179.9	-58.5	0	0	0	0	112.6	S488 L489 L490 I495 F496 C718 F719	S488-S492 WeakPolarHBondContact O-CB 3.1Å; S488-S492 PolarHBondContact O-N 3.47Å; S488-S492 PolarHBondContact O-OG 2.93Å; L489-S492 PolarHBondContact O-N 2.87Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 2.92Å; S492-I495 PolarHBondContact O-N 3.42Å; S492-F496 WeakPolarHBondContact O-CD2 3.29Å; S492-F496 PolarHBondContact O-N 3.43Å; S492-C718 WeakPolarHBondContact OG-CB 3.29Å; S492-F719 WeakPolarHBondContact OG-CE2 3.42Å
493	L	93.5	Very high	90.8	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-45.9	173.8	-80	171.9	0	0	0	111	L489 L490 I495 F496 F497 K511 F514 V518	L489-L493 WeakPolarHBondContact O-CB 3.21Å; L489-L493 WeakPolarHBondContact O-CG 3.33Å; L489-L493 PolarHBondContact O-N 2.99Å; L490-L493 PolarHBondContact O-N 2.91Å; L493-I495 VanDerWaalsContact C-N 3.32Å; L493-I495 PolarHBondContact O-N 3.12Å; L493-F496 PolarHBondContact O-N 3.41Å; L493-F497 HydrophobicContact CB-CD2 4.3Å; L493-F497 HydrophobicContact CB-CE2 4.27Å; L493-F497 HydrophobicContact CD2-CE2 4.01Å; L493-F497 WeakPolarHBondContact O-CD2 3.38Å; L493-F497 PolarHBondContact O-N 3.32Å; L493-K511 HydrophobicContact CD2-CB 4.4Å; L493-K511 HydrophobicContact CD2-CG 4.45Å; L493-F514 HydrophobicContact CD1-CB 4.21Å; L493-F514 HydrophobicContact CD2-CB 3.7Å; L493-F514 HydrophobicContact CD2-CD2 4.3Å; L493-F514 HydrophobicContact CG-CB 3.87Å; L493-F514 HydrophobicContact CG-CD2 4.33Å; L493-V518 HydrophobicContact CD1-CG2 4.06Å
494	A	93.4	Very high	90.2	Very high	57 Å²	57	60.7 Å²	60.7	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-44	177.8	0	0	0	0	0	111.7	L490 I491 F497 Y498	L490-A494 WeakPolarHBondContact O-CB 3.26Å; L490-A494 PolarHBondContact O-N 3.3Å; I491-A494 PolarHBondContact O-N 2.92Å; A494-F497 PolarHBondContact O-N 3.42Å; A494-Y498 VanDerWaalsContact O-CB 3.25Å; A494-Y498 WeakPolarHBondContact O-CB 3.18Å; A494-Y498 PolarHBondContact O-N 3.11Å
495	I	91.9	Very high	89.5	Confident	23 Å²	23	60.2 Å²	60.2	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-49	175	-68.1	165.8	0	0	0	110.6	I491 S492 L493 F497 Y498 F499 V724 L728	I491-I495 HydrophobicContact CG2-CD1 3.9Å; I491-I495 VanDerWaalsContact O-CG1 3.28Å; I491-I495 WeakPolarHBondContact O-CG1 3.46Å; I491-I495 PolarHBondContact O-N 2.98Å; S492-I495 PolarHBondContact O-N 3.42Å; L493-I495 VanDerWaalsContact C-N 3.32Å; L493-I495 PolarHBondContact O-N 3.12Å; I495-F497 VanDerWaalsContact C-N 3.34Å; I495-F497 PolarHBondContact O-N 2.99Å; I495-Y498 PolarHBondContact O-N 3.31Å; I495-F499 HydrophobicContact CG2-CD2 3.72Å; I495-F499 HydrophobicContact CG2-CE2 4.03Å; I495-F499 VanDerWaalsContact O-CD2 3.28Å; I495-F499 WeakPolarHBondContact O-CD2 3.03Å; I495-F499 PolarHBondContact O-N 3.48Å; I495-V724 HydrophobicContact CG2-CG1 3.81Å; I495-L728 HydrophobicContact CD1-CD1 4.41Å
496	F	90.1	Very high	88.9	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-70.3	-24.7	-178.9	-71.6	-42.1	0	0	0	114.7	S492 L493 I507 K511 F514 C718 V724	S492-F496 WeakPolarHBondContact O-CD2 3.29Å; S492-F496 PolarHBondContact O-N 3.43Å; L493-F496 PolarHBondContact O-N 3.41Å; F496-I507 HydrophobicContact CB-CG2 4.46Å; F496-I507 HydrophobicContact CD1-CG2 4.04Å; F496-I507 HydrophobicContact CE1-CD1 4.06Å; F496-I507 HydrophobicContact CE1-CG2 4.44Å; F496-I507 HydrophobicContact CG-CG2 4.21Å; F496-I507 HydrophobicContact CZ-CD1 4.25Å; F496-K511 HydrophobicContact CB-CG 4.32Å; F496-K511 WeakPolarHBondContact O-CE 3.44Å; F496-K511 PolarHBondContact O-NZ 2.97Å; F496-F514 HydrophobicContact CD2-CD2 4.35Å; F496-F514 AromaticContact CD2-CE2 3.99Å; F496-F514 HydrophobicContact CD2-CE2 3.99Å; F496-F514 HydrophobicContact CE2-CD2 4.31Å; F496-F514 AromaticContact CE2-CE2 3.53Å; F496-F514 HydrophobicContact CE2-CE2 3.53Å; F496-F514 HydrophobicContact CE2-CZ 4.16Å; F496-C718 HydrophobicContact CE2-CB 4.05Å; F496-C718 HydrophobicContact CZ-CB 4Å; F496-V724 HydrophobicContact CE1-CG2 3.68Å; F496-V724 HydrophobicContact CZ-CG2 4.27Å
497	F	89.5	Confident	88.4	Confident	132 Å²	132	63.5 Å²	63.5	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-78.9	-39	171.1	-77.6	-62.2	0	0	0	112.1	L493 A494 I495 K511	L493-F497 HydrophobicContact CB-CD2 4.3Å; L493-F497 HydrophobicContact CB-CE2 4.27Å; L493-F497 HydrophobicContact CD2-CE2 4.01Å; L493-F497 WeakPolarHBondContact O-CD2 3.38Å; L493-F497 PolarHBondContact O-N 3.32Å; A494-F497 PolarHBondContact O-N 3.42Å; I495-F497 VanDerWaalsContact C-N 3.34Å; I495-F497 PolarHBondContact O-N 2.99Å; F497-K511 HydrophobicContact CE1-CD 4.22Å; F497-K511 HydrophobicContact CZ-CD 4.47Å
498	Y	89.2	Confident	88	Confident	164 Å²	164	62.8 Å²	62.8	64%	0.643	32%	0.319	S	S	*	.	H	α-helix	trans	-66.4	-48	178.2	-179.2	-99.5	0	0	0	112	A494 I495 R500	A494-Y498 VanDerWaalsContact O-CB 3.25Å; A494-Y498 WeakPolarHBondContact O-CB 3.18Å; A494-Y498 PolarHBondContact O-N 3.11Å; I495-Y498 PolarHBondContact O-N 3.31Å; Y498-R500 PolarHBondContact O-N 3.01Å
499	F	87.3	Confident	87.6	Confident	21 Å²	21	62.4 Å²	62.4	9%	0.092	32%	0.315	C	S	.	.			trans	-84.7	76.9	179.3	-67.4	-67.1	0	0	0	112	I495 S501 L502 L728 Q731	I495-F499 HydrophobicContact CG2-CD2 3.72Å; I495-F499 HydrophobicContact CG2-CE2 4.03Å; I495-F499 VanDerWaalsContact O-CD2 3.28Å; I495-F499 WeakPolarHBondContact O-CD2 3.03Å; I495-F499 PolarHBondContact O-N 3.48Å; F499-S501 PolarHBondContact O-N 2.93Å; F499-S501 VanDerWaalsContact O-N 3.09Å; F499-L502 HydrophobicContact CB-CB 4.3Å; F499-L502 HydrophobicContact CB-CD1 3.7Å; F499-L502 HydrophobicContact CB-CG 3.94Å; F499-L502 HydrophobicContact CD2-CD1 4.37Å; F499-L502 HydrophobicContact CG-CD1 4.13Å; F499-L502 PolarHBondContact O-N 3.4Å; F499-L728 HydrophobicContact CE2-CD2 3.69Å; F499-L728 HydrophobicContact CE2-CG 4.33Å; F499-L728 HydrophobicContact CZ-CD2 4.06Å; F499-Q731 HydrophobicContact CE1-CG 3.36Å; F499-Q731 HydrophobicContact CZ-CB 4.35Å; F499-Q731 HydrophobicContact CZ-CG 3.6Å
500	R	82.2	Confident	87.4	Confident	222 Å²	222	62.8 Å²	62.8	84%	0.838	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.7	-30.2	174.2	-170	174.6	177.1	120.5	-1	112.9	Y498 L502 S503	Y498-R500 PolarHBondContact O-N 3.01Å; R500-L502 PolarHBondContact O-N 3.47Å; R500-S503 VanDerWaalsContact O-CB 3.26Å; R500-S503 WeakPolarHBondContact O-CB 3.27Å; R500-S503 PolarHBondContact O-N 3.42Å
501	S	78.7	Confident	87.2	Confident	121 Å²	121	59.5 Å²	59.5	85%	0.846	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.7	-28.5	175.8	179.9	0	0	0	0	113.9	F499 S503	F499-S501 PolarHBondContact O-N 2.93Å; F499-S501 VanDerWaalsContact O-N 3.09Å; S501-S503 VanDerWaalsContact C-N 3.34Å
502	L	77.1	Confident	87	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.157	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-88	-3.2	177.9	-61	174.8	0	0	0	112.6	F499 R500 C504 I507 E723 V724 A727	F499-L502 HydrophobicContact CB-CB 4.3Å; F499-L502 HydrophobicContact CB-CD1 3.7Å; F499-L502 HydrophobicContact CB-CG 3.94Å; F499-L502 HydrophobicContact CD2-CD1 4.37Å; F499-L502 HydrophobicContact CG-CD1 4.13Å; F499-L502 PolarHBondContact O-N 3.4Å; R500-L502 PolarHBondContact O-N 3.47Å; L502-C504 PolarHBondContact O-N 3.48Å; L502-I507 WeakPolarHBondContact O-CG1 3.35Å; L502-E723 HydrophobicContact CD2-CB 4.43Å; L502-V724 HydrophobicContact CD1-CG2 4.2Å; L502-A727 HydrophobicContact CD1-CB 3.98Å; L502-A727 HydrophobicContact CD2-CB 4.44Å
503	S	75.1	Confident	87	Confident	51 Å²	51	56.3 Å²	56.3	36%	0.357	28%	0.283	S	S	.	.			trans	-81.3	85.4	-172	-163.4	0	0	0	0	111.6	R500 S501 K511	R500-S503 VanDerWaalsContact O-CB 3.26Å; R500-S503 WeakPolarHBondContact O-CB 3.27Å; R500-S503 PolarHBondContact O-N 3.42Å; S501-S503 VanDerWaalsContact C-N 3.34Å; S503-K511 PolarHBondContact OG-NZ 2.97Å; S503-K511 VanDerWaalsContact OG-NZ 3.11Å
504	C	82.6	Confident	87.1	Confident	77 Å²	77	55.7 Å²	55.7	52%	0.52	28%	0.28	S	S	.	.			trans	-92.5	167	167.5	-179.4	0	0	0	0	111.2	L502 R506 I507 T508	L502-C504 PolarHBondContact O-N 3.48Å; C504-R506 VanDerWaalsContact C-N 3.28Å; C504-R506 PolarHBondContact O-N 3.23Å; C504-I507 HydrophobicContact CB-CG1 4.49Å; C504-I507 WeakPolarHBondContact O-CA 3.18Å; C504-I507 WeakPolarHBondContact O-CB 2.97Å; C504-I507 PolarHBondContact O-N 2.99Å; C504-T508 PolarHBondContact O-N 3.19Å
505	Q	82.2	Confident	87.2	Confident	76 Å²	76	54.8 Å²	54.8	36%	0.355	27%	0.27	S	S	.	.	H	α-helix	trans	-45.4	-49.9	173.1	-173.2	74	-14.2	0	0	112.7	I507 T508 L509 Y569 L585	Q505-I507 VanDerWaalsContact C-N 3.29Å; Q505-I507 PolarHBondContact O-N 3.32Å; Q505-T508 PolarHBondContact O-N 2.97Å; Q505-T508 VanDerWaalsContact O-N 3.13Å; Q505-T508 PolarHBondContact O-OG1 3.25Å; Q505-L509 PolarHBondContact O-N 3.43Å; Q505-Y569 HydrophobicContact CG-CE2 4.36Å; Q505-L585 VanDerWaalsContact OE1-CD1 3.22Å
506	R	83.6	Confident	87.4	Confident	88 Å²	88	53.8 Å²	53.8	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-53.6	-44.8	175.2	178.3	-169.2	-60	-90.2	2.2	112.3	C504 T508 L509 H510 Y569	C504-R506 VanDerWaalsContact C-N 3.28Å; C504-R506 PolarHBondContact O-N 3.23Å; R506-T508 VanDerWaalsContact C-N 3.34Å; R506-L509 WeakPolarHBondContact O-CB 3.22Å; R506-L509 PolarHBondContact O-N 3.44Å; R506-H510 VanDerWaalsContact CG-NE2 3.29Å; R506-H510 WeakPolarHBondContact CG-NE2 3.48Å; R506-H510 PolarHBondContact O-CD2 3.46Å; R506-H510 PolarHBondContact O-N 3.26Å; R506-Y569 HydrophobicContact CB-CE1 3.95Å; R506-Y569 HydrophobicContact CG-CE1 4.05Å; R506-Y569 PolarHBondContact N-OH 2.03Å
507	I	86.6	Confident	87.6	Confident	13 Å²	13	54 Å²	54	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-30.7	-177	-61.5	-75.2	0	0	0	110.7	F496 L502 C504 Q505 L509 H510 K511	F496-I507 HydrophobicContact CB-CG2 4.46Å; F496-I507 HydrophobicContact CD1-CG2 4.04Å; F496-I507 HydrophobicContact CE1-CD1 4.06Å; F496-I507 HydrophobicContact CE1-CG2 4.44Å; F496-I507 HydrophobicContact CG-CG2 4.21Å; F496-I507 HydrophobicContact CZ-CD1 4.25Å; L502-I507 WeakPolarHBondContact O-CG1 3.35Å; C504-I507 HydrophobicContact CB-CG1 4.49Å; C504-I507 WeakPolarHBondContact O-CA 3.18Å; C504-I507 WeakPolarHBondContact O-CB 2.97Å; C504-I507 PolarHBondContact O-N 2.99Å; Q505-I507 VanDerWaalsContact C-N 3.29Å; Q505-I507 PolarHBondContact O-N 3.32Å; I507-L509 VanDerWaalsContact C-N 3.31Å; I507-L509 PolarHBondContact O-N 2.87Å; I507-H510 PolarHBondContact O-N 3.22Å; I507-K511 VanDerWaalsContact O-CG 3.26Å; I507-K511 WeakPolarHBondContact O-CG 3.41Å; I507-K511 PolarHBondContact O-N 3.38Å
508	T	88.2	Confident	88	Confident	35 Å²	35	48.8 Å²	48.8	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-37.3	170.6	70.2	0	0	0	0	112.2	C504 Q505 R506 K511 N512	C504-T508 PolarHBondContact O-N 3.19Å; Q505-T508 PolarHBondContact O-N 2.97Å; Q505-T508 VanDerWaalsContact O-N 3.13Å; Q505-T508 PolarHBondContact O-OG1 3.25Å; R506-T508 VanDerWaalsContact C-N 3.34Å; T508-K511 WeakPolarHBondContact O-CB 3.35Å; T508-K511 PolarHBondContact O-N 3.07Å; T508-N512 PolarHBondContact O-N 3.44Å; T508-N512 PolarHBondContact O-ND2 2.83Å
509	L	88.7	Confident	88.3	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-44.8	175.6	-165.4	131.3	0	0	0	111.4	Q505 R506 I507 K511 N512 L513 W562 E566 Y569 Y588	Q505-L509 PolarHBondContact O-N 3.43Å; R506-L509 WeakPolarHBondContact O-CB 3.22Å; R506-L509 PolarHBondContact O-N 3.44Å; I507-L509 VanDerWaalsContact C-N 3.31Å; I507-L509 PolarHBondContact O-N 2.87Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.44Å; L509-N512 PolarHBondContact O-N 2.9Å; L509-L513 PolarHBondContact O-N 3.41Å; L509-W562 HydrophobicContact CD1-CZ3 4.37Å; L509-W562 HydrophobicContact CG-CZ3 4.07Å; L509-E566 HydrophobicContact CD2-CB 3.71Å; L509-E566 HydrophobicContact CD2-CG 3.96Å; L509-Y569 HydrophobicContact CD1-CD2 4.38Å; L509-Y569 HydrophobicContact CD1-CG 4.17Å; L509-Y588 HydrophobicContact CD1-CD1 4.37Å
510	H	89.8	Confident	88.7	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-36.4	173.5	-63.7	-49.5	0	0	0	112.8	R506 I507 N512 L513 F514 E566 F717	R506-H510 VanDerWaalsContact CG-NE2 3.29Å; R506-H510 WeakPolarHBondContact CG-NE2 3.48Å; R506-H510 PolarHBondContact O-CD2 3.46Å; R506-H510 PolarHBondContact O-N 3.26Å; I507-H510 PolarHBondContact O-N 3.22Å; H510-N512 PolarHBondContact O-N 3.32Å; H510-L513 PolarHBondContact O-N 3.32Å; H510-F514 HydrophobicContact CB-CE1 4.48Å; H510-F514 WeakPolarHBondContact O-CB 3.05Å; H510-F514 WeakPolarHBondContact O-CD1 3.33Å; H510-F514 VanDerWaalsContact O-CG 3.25Å; H510-F514 WeakPolarHBondContact O-CG 3.26Å; H510-F514 PolarHBondContact O-N 3.24Å; H510-E566 IonicContact CE1-OE1 2.7Å; H510-E566 PolarHBondContact CE1-OE1 3.23Å; H510-E566 IonicContact ND1-OE1 2.96Å; H510-E566 PolarHBondContact ND1-OE1 3Å; H510-F717 AromaticContact CE1-CE1 3.73Å; H510-F717 AromaticContact CE1-CZ 3.72Å
511	K	92	Very high	89.3	Confident	23 Å²	23	33.7 Å²	33.7	10%	0.1	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-47	173.5	-76.6	169.4	-179.9	177.6	0	111.4	L493 F496 F497 S503 I507 T508 L509 F514 C515	L493-K511 HydrophobicContact CD2-CB 4.4Å; L493-K511 HydrophobicContact CD2-CG 4.45Å; F496-K511 HydrophobicContact CB-CG 4.32Å; F496-K511 WeakPolarHBondContact O-CE 3.44Å; F496-K511 PolarHBondContact O-NZ 2.97Å; F497-K511 HydrophobicContact CE1-CD 4.22Å; F497-K511 HydrophobicContact CZ-CD 4.47Å; S503-K511 PolarHBondContact OG-NZ 2.97Å; S503-K511 VanDerWaalsContact OG-NZ 3.11Å; I507-K511 VanDerWaalsContact O-CG 3.26Å; I507-K511 WeakPolarHBondContact O-CG 3.41Å; I507-K511 PolarHBondContact O-N 3.38Å; T508-K511 WeakPolarHBondContact O-CB 3.35Å; T508-K511 PolarHBondContact O-N 3.07Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.44Å; K511-F514 PolarHBondContact O-N 3.16Å; K511-C515 WeakPolarHBondContact O-CB 3.39Å; K511-C515 PolarHBondContact O-N 3.49Å; K511-C515 PolarHBondContact O-SG 3.43Å
512	N	92.9	Very high	90.2	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-41.9	178	-70.9	-72.6	0	0	0	112	T508 L509 H510 F514 C515 S516 W562 Y589	T508-N512 PolarHBondContact O-N 3.44Å; T508-N512 PolarHBondContact O-ND2 2.83Å; L509-N512 PolarHBondContact O-N 2.9Å; H510-N512 PolarHBondContact O-N 3.32Å; N512-F514 PolarHBondContact O-N 3.19Å; N512-C515 PolarHBondContact O-N 3Å; N512-S516 PolarHBondContact O-N 2.78Å; N512-W562 HydrophobicContact CB-CD2 4.06Å; N512-W562 HydrophobicContact CB-CE3 3.9Å; N512-W562 HydrophobicContact CB-CH2 3.46Å; N512-W562 VanDerWaalsContact CB-CH2 3.46Å; N512-W562 HydrophobicContact CB-CZ2 3.63Å; N512-W562 HydrophobicContact CB-CZ3 3.6Å; N512-Y589 PolarHBondContact ND2-OH 2.89Å; N512-Y589 VanDerWaalsContact OD1-CE1 3.3Å; N512-Y589 WeakPolarHBondContact OD1-CE1 3.26Å; N512-Y589 PolarHBondContact OD1-OH 2.94Å
513	L	92.5	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-46.7	174.3	179.8	71.4	0	0	0	111.4	L509 H510 C515 S516 Y517 W562 M563 E566	L509-L513 PolarHBondContact O-N 3.41Å; H510-L513 PolarHBondContact O-N 3.32Å; L513-C515 PolarHBondContact O-N 2.87Å; L513-S516 WeakPolarHBondContact O-CB 3.4Å; L513-S516 PolarHBondContact O-N 3.46Å; L513-S516 VanDerWaalsContact O-N 3.13Å; L513-S516 PolarHBondContact O-OG 2.03Å; L513-Y517 HydrophobicContact CD1-CD2 4.2Å; L513-Y517 HydrophobicContact CD1-CE2 3.81Å; L513-Y517 HydrophobicContact CD2-CE2 4.32Å; L513-Y517 HydrophobicContact CG-CD2 4Å; L513-Y517 HydrophobicContact CG-CE2 3.86Å; L513-Y517 WeakPolarHBondContact O-CD2 3.28Å; L513-Y517 PolarHBondContact O-N 2.96Å; L513-W562 HydrophobicContact CD1-CB 3.82Å; L513-M563 HydrophobicContact CD1-CG 3.9Å; L513-E566 VanDerWaalsContact CD2-CD 3.46Å; L513-E566 WeakPolarHBondContact CD2-OE2 3.35Å
514	F	95.3	Very high	91.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-41.4	178.8	-71.7	10.6	0	0	0	111.4	L489 L493 F496 H510 K511 N512 S516 Y517 V518 V713 F717	L489-F514 HydrophobicContact CD2-CB 4.08Å; L489-F514 HydrophobicContact CD2-CD1 4.06Å; L489-F514 HydrophobicContact CD2-CD2 4.21Å; L489-F514 HydrophobicContact CD2-CG 3.86Å; L493-F514 HydrophobicContact CD1-CB 4.21Å; L493-F514 HydrophobicContact CD2-CB 3.7Å; L493-F514 HydrophobicContact CD2-CD2 4.3Å; L493-F514 HydrophobicContact CG-CB 3.87Å; L493-F514 HydrophobicContact CG-CD2 4.33Å; F496-F514 HydrophobicContact CD2-CD2 4.35Å; F496-F514 AromaticContact CD2-CE2 3.99Å; F496-F514 HydrophobicContact CD2-CE2 3.99Å; F496-F514 HydrophobicContact CE2-CD2 4.31Å; F496-F514 AromaticContact CE2-CE2 3.53Å; F496-F514 HydrophobicContact CE2-CE2 3.53Å; F496-F514 HydrophobicContact CE2-CZ 4.16Å; H510-F514 HydrophobicContact CB-CE1 4.48Å; H510-F514 WeakPolarHBondContact O-CB 3.05Å; H510-F514 WeakPolarHBondContact O-CD1 3.33Å; H510-F514 VanDerWaalsContact O-CG 3.25Å; H510-F514 WeakPolarHBondContact O-CG 3.26Å; H510-F514 PolarHBondContact O-N 3.24Å; K511-F514 PolarHBondContact O-N 3.16Å; N512-F514 PolarHBondContact O-N 3.19Å; F514-S516 VanDerWaalsContact C-N 3.3Å; F514-S516 PolarHBondContact O-N 3.31Å; F514-Y517 PolarHBondContact O-N 3.43Å; F514-V518 WeakPolarHBondContact O-CG2 3.03Å; F514-V518 PolarHBondContact O-N 2.7Å; F514-V713 HydrophobicContact CD1-CG1 4.02Å; F514-V713 HydrophobicContact CE1-CG1 3.45Å; F514-V713 VanDerWaalsContact CE1-CG1 3.45Å; F514-V713 HydrophobicContact CZ-CG1 4.29Å; F514-F717 HydrophobicContact CE1-CB 4.49Å; F514-F717 HydrophobicContact CE1-CD2 4.32Å; F514-F717 HydrophobicContact CZ-CB 3.87Å
515	C	95.4	Very high	92.4	Very high	39 Å²	39	26 Å²	26	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-58.5	-42.1	171.9	-71.3	0	0	0	0	111.6	K511 N512 L513 Y517 V518 L519	K511-C515 WeakPolarHBondContact O-CB 3.39Å; K511-C515 PolarHBondContact O-N 3.49Å; K511-C515 PolarHBondContact O-SG 3.43Å; N512-C515 PolarHBondContact O-N 3Å; L513-C515 PolarHBondContact O-N 2.87Å; C515-Y517 VanDerWaalsContact C-N 3.35Å; C515-Y517 PolarHBondContact O-N 3.4Å; C515-V518 PolarHBondContact O-N 2.96Å; C515-L519 WeakPolarHBondContact O-CG 3.43Å; C515-L519 PolarHBondContact O-N 2.81Å
516	S	96.1	Very high	92.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-41	176.3	83.6	0	0	0	0	112.1	N512 L513 F514 N520 N559	N512-S516 PolarHBondContact O-N 2.78Å; L513-S516 WeakPolarHBondContact O-CB 3.4Å; L513-S516 PolarHBondContact O-N 3.46Å; L513-S516 VanDerWaalsContact O-N 3.13Å; L513-S516 PolarHBondContact O-OG 2.03Å; F514-S516 VanDerWaalsContact C-N 3.3Å; F514-S516 PolarHBondContact O-N 3.31Å; S516-N520 WeakPolarHBondContact O-CB 3.47Å; S516-N520 PolarHBondContact O-N 2.96Å; S516-N559 PolarHBondContact OG-ND2 3.45Å
517	Y	95.3	Very high	93.1	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-38.8	176.3	-86.5	-72.1	0	0	0	112.8	L489 L513 F514 C515 S521 N559 M563 Q709 V713	L489-Y517 HydrophobicContact CD1-CG 4.44Å; L513-Y517 HydrophobicContact CD1-CD2 4.2Å; L513-Y517 HydrophobicContact CD1-CE2 3.81Å; L513-Y517 HydrophobicContact CD2-CE2 4.32Å; L513-Y517 HydrophobicContact CG-CD2 4Å; L513-Y517 HydrophobicContact CG-CE2 3.86Å; L513-Y517 WeakPolarHBondContact O-CD2 3.28Å; L513-Y517 PolarHBondContact O-N 2.96Å; F514-Y517 PolarHBondContact O-N 3.43Å; C515-Y517 VanDerWaalsContact C-N 3.35Å; C515-Y517 PolarHBondContact O-N 3.4Å; Y517-S521 VanDerWaalsContact O-CB 3.23Å; Y517-S521 WeakPolarHBondContact O-CB 3.32Å; Y517-S521 PolarHBondContact O-N 2.77Å; Y517-S521 PolarHBondContact O-OG 3.22Å; Y517-N559 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N559 WeakPolarHBondContact CE1-ND2 3.48Å; Y517-N559 VanDerWaalsContact CG-ND2 3.3Å; Y517-M563 PolarHBondContact OH-SD 3.18Å; Y517-Q709 HydrophobicContact CE1-CB 4.4Å; Y517-Q709 HydrophobicContact CE1-CG 4.24Å; Y517-Q709 VanDerWaalsContact OH-CD 3.25Å; Y517-Q709 PolarHBondContact OH-NE2 3.13Å; Y517-V713 HydrophobicContact CE2-CG1 4.4Å; Y517-V713 HydrophobicContact CE2-CG2 4.08Å
518	V	96.9	Very high	93.2	Very high	23 Å²	23	23.8 Å²	23.8	14%	0.139	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-49.3	176.1	170.4	0	0	0	0	110.2	L489 L490 L493 F514 C515 S521 A522	L489-V518 HydrophobicContact CB-CG2 3.64Å; L489-V518 HydrophobicContact CD1-CG2 4.16Å; L490-V518 HydrophobicContact CD2-CG1 4.12Å; L490-V518 HydrophobicContact CD2-CG2 4.34Å; L493-V518 HydrophobicContact CD1-CG2 4.06Å; F514-V518 WeakPolarHBondContact O-CG2 3.03Å; F514-V518 PolarHBondContact O-N 2.7Å; C515-V518 PolarHBondContact O-N 2.96Å; V518-S521 PolarHBondContact O-N 2.89Å; V518-A522 VanDerWaalsContact O-CB 3.25Å; V518-A522 WeakPolarHBondContact O-CB 3.36Å; V518-A522 PolarHBondContact O-N 2.91Å
519	L	96.3	Very high	93.1	Very high	77 Å²	77	25.2 Å²	25.2	40%	0.403	14%	0.141	S	C	.	.	H	α-helix	trans	-65	-43.3	179.7	-68.7	174	0	0	0	112	C515 A522 L523 M555 W593	C515-L519 WeakPolarHBondContact O-CG 3.43Å; C515-L519 PolarHBondContact O-N 2.81Å; L519-A522 PolarHBondContact O-N 2.03Å; L519-L523 PolarHBondContact O-N 3.26Å; L519-M555 HydrophobicContact CB-CG 4.46Å; L519-M555 HydrophobicContact CB-SD 4.21Å; L519-M555 HydrophobicContact CD1-CE 4.5Å; L519-M555 HydrophobicContact CD1-SD 4.33Å; L519-W593 HydrophobicContact CD1-CH2 4.04Å; L519-W593 HydrophobicContact CD1-CZ3 4.44Å
520	N	95.4	Very high	92.9	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-52.1	175.5	-176.3	53.4	0	0	0	111	S516 A522 L523 T524 M555 L556 N559	S516-N520 WeakPolarHBondContact O-CB 3.47Å; S516-N520 PolarHBondContact O-N 2.96Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 3.26Å; N520-L523 PolarHBondContact O-N 2.68Å; N520-T524 WeakPolarHBondContact O-CB 3.38Å; N520-T524 PolarHBondContact O-N 3.36Å; N520-T524 PolarHBondContact O-OG1 3.21Å; N520-M555 HydrophobicContact CB-CB 4.49Å; N520-L556 VanDerWaalsContact OD1-CA 3.29Å; N520-L556 WeakPolarHBondContact OD1-CA 3.47Å; N520-L556 PolarHBondContact OD1-N 2.66Å; N520-N559 HydrophobicContact CB-CB 4.15Å
521	S	95.5	Very high	92.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-40.1	-179.8	-59.4	0	0	0	0	112.3	H482 Y517 V518 T524 I525	H482-S521 WeakPolarHBondContact ND1-CB 3.49Å; H482-S521 PolarHBondContact ND1-OG 3.02Å; H482-S521 VanDerWaalsContact ND1-OG 3.08Å; Y517-S521 VanDerWaalsContact O-CB 3.23Å; Y517-S521 WeakPolarHBondContact O-CB 3.32Å; Y517-S521 PolarHBondContact O-N 2.77Å; Y517-S521 PolarHBondContact O-OG 3.22Å; V518-S521 PolarHBondContact O-N 2.89Å; S521-T524 PolarHBondContact O-N 2.91Å; S521-I525 WeakPolarHBondContact O-CG1 3.48Å; S521-I525 PolarHBondContact O-N 3.02Å
522	A	95.9	Very high	91.5	Very high	35 Å²	35	29.6 Å²	29.6	29%	0.289	17%	0.17	S	C	.	.	H	α-helix	trans	-63.4	-46.8	177.5	0	0	0	0	0	111.4	I486 V518 L519 N520 I525 I526	I486-A522 HydrophobicContact CD1-CB 4.33Å; V518-A522 VanDerWaalsContact O-CB 3.25Å; V518-A522 WeakPolarHBondContact O-CB 3.36Å; V518-A522 PolarHBondContact O-N 2.91Å; L519-A522 PolarHBondContact O-N 2.03Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 3.26Å; A522-I525 PolarHBondContact O-N 2.83Å; A522-I526 VanDerWaalsContact O-CG1 3.24Å; A522-I526 WeakPolarHBondContact O-CG1 3.16Å; A522-I526 PolarHBondContact O-N 3.27Å
523	L	94.6	Very high	90.7	Very high	32 Å²	32	32.5 Å²	32.5	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-35.3	176.9	-74.4	-177.4	0	0	0	112.9	L519 N520 I526 Y527 L548 F551 M555	L519-L523 PolarHBondContact O-N 3.26Å; N520-L523 PolarHBondContact O-N 2.68Å; L523-I526 HydrophobicContact CD2-CD1 4.44Å; L523-I526 PolarHBondContact O-N 2.88Å; L523-Y527 VanDerWaalsContact O-CB 3.22Å; L523-Y527 WeakPolarHBondContact O-CB 3.29Å; L523-Y527 PolarHBondContact O-N 3.12Å; L523-L548 HydrophobicContact CD2-CD1 4.33Å; L523-F551 HydrophobicContact CD1-CB 3.95Å; L523-F551 WeakPolarHBondContact CD1-O 3.3Å; L523-M555 HydrophobicContact CD1-CB 3.8Å; L523-M555 HydrophobicContact CD1-CG 3.23Å; L523-M555 HydrophobicContact CG-CG 4.42Å
524	T	92.7	Very high	89.7	Confident	14 Å²	14	35.7 Å²	35.7	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-44.2	173.7	-60.4	0	0	0	0	111	N520 S521 Y527 L528 H552	N520-T524 WeakPolarHBondContact O-CB 3.38Å; N520-T524 PolarHBondContact O-N 3.36Å; N520-T524 PolarHBondContact O-OG1 3.21Å; S521-T524 PolarHBondContact O-N 2.91Å; T524-Y527 PolarHBondContact O-N 3Å; T524-L528 HydrophobicContact CG2-CD1 3.99Å; T524-L528 HydrophobicContact CG2-CG 4.27Å; T524-L528 WeakPolarHBondContact O-CB 3.29Å; T524-L528 VanDerWaalsContact O-CG 3.24Å; T524-L528 WeakPolarHBondContact O-CG 3.49Å; T524-L528 PolarHBondContact O-N 3.04Å; T524-H552 PolarHBondContact OG1-NE2 3.43Å; T524-H552 VanDerWaalsContact OG1-NE2 3.15Å
525	I	93.8	Very high	88.4	Confident	38 Å²	38	39.2 Å²	39.2	20%	0.195	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-47.8	174.4	-69.3	172.6	0	0	0	110.7	H482 I486 S521 A522 Y527 L528 V529	H482-I525 HydrophobicContact CB-CD1 3.73Å; H482-I525 HydrophobicContact CB-CG1 3.73Å; I486-I525 HydrophobicContact CD1-CD1 3.68Å; S521-I525 WeakPolarHBondContact O-CG1 3.48Å; S521-I525 PolarHBondContact O-N 3.02Å; A522-I525 PolarHBondContact O-N 2.83Å; I525-Y527 VanDerWaalsContact C-N 3.3Å; I525-Y527 PolarHBondContact O-N 3.38Å; I525-L528 PolarHBondContact O-N 2.81Å; I525-V529 HydrophobicContact CG2-CG2 4.26Å; I525-V529 WeakPolarHBondContact O-CB 3.22Å; I525-V529 WeakPolarHBondContact O-CG2 3.3Å; I525-V529 PolarHBondContact O-N 3.39Å
526	I	92.1	Very high	86.8	Confident	79 Å²	79	43.8 Å²	43.8	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-45.4	178.3	-67.9	164.6	0	0	0	109.9	A522 L523 T530 L548	A522-I526 VanDerWaalsContact O-CG1 3.24Å; A522-I526 WeakPolarHBondContact O-CG1 3.16Å; A522-I526 PolarHBondContact O-N 3.27Å; L523-I526 HydrophobicContact CD2-CD1 4.44Å; L523-I526 PolarHBondContact O-N 2.88Å; I526-T530 HydrophobicContact CG2-CG2 4.13Å; I526-T530 VanDerWaalsContact O-CB 3.27Å; I526-T530 WeakPolarHBondContact O-CB 3.3Å; I526-T530 VanDerWaalsContact O-CG2 3.27Å; I526-T530 WeakPolarHBondContact O-CG2 3.35Å; I526-T530 PolarHBondContact O-N 2.88Å; I526-T530 PolarHBondContact O-OG1 2.96Å; I526-L548 HydrophobicContact CG2-CD1 3.89Å; I526-L548 HydrophobicContact CG2-CD2 4.1Å
527	Y	89.6	Confident	85.5	Confident	24 Å²	24	46 Å²	46	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-46.3	177.5	179.4	-100	0	0	0	112.4	L523 T524 I525 V529 V531 V532 H549 M617	L523-Y527 VanDerWaalsContact O-CB 3.22Å; L523-Y527 WeakPolarHBondContact O-CB 3.29Å; L523-Y527 PolarHBondContact O-N 3.12Å; T524-Y527 PolarHBondContact O-N 3Å; I525-Y527 VanDerWaalsContact C-N 3.3Å; I525-Y527 PolarHBondContact O-N 3.38Å; Y527-V529 PolarHBondContact O-N 3.4Å; Y527-V531 HydrophobicContact CD2-CB 4.07Å; Y527-V531 HydrophobicContact CD2-CG2 3.73Å; Y527-V531 HydrophobicContact CE2-CB 3.94Å; Y527-V531 HydrophobicContact CE2-CG1 3.97Å; Y527-V531 HydrophobicContact CE2-CG2 3.88Å; Y527-V531 WeakPolarHBondContact O-CA 3.5Å; Y527-V531 VanDerWaalsContact O-CB 3.27Å; Y527-V531 WeakPolarHBondContact O-CB 3.32Å; Y527-V531 PolarHBondContact O-N 3.48Å; Y527-V532 HydrophobicContact CD1-CG2 4.4Å; Y527-V532 HydrophobicContact CE1-CG2 4.01Å; Y527-V532 PolarHBondContact O-N 3.11Å; Y527-H549 HydrophobicContact CE2-CB 4.43Å; Y527-H549 AromaticContact CE2-CD2 3.98Å; Y527-M617 WeakPolarHBondContact OH-CG 3.06Å
528	L	87.9	Confident	84.1	Confident	26 Å²	26	46.8 Å²	46.8	14%	0.136	26%	0.26	C	S	.	.	I	π-helix	trans	-61.6	-45.3	178.1	-73	176.5	0	0	0	112	F475 A478 I479 T524 I525 V532 N533	F475-L528 HydrophobicContact CD2-CD2 4.17Å; F475-L528 HydrophobicContact CE2-CB 3.8Å; F475-L528 HydrophobicContact CE2-CD2 4.18Å; F475-L528 HydrophobicContact CE2-CG 4.47Å; F475-L528 HydrophobicContact CZ-CB 4.49Å; A478-L528 HydrophobicContact CB-CD1 3.98Å; I479-L528 HydrophobicContact CG1-CD1 4.47Å; T524-L528 HydrophobicContact CG2-CD1 3.99Å; T524-L528 HydrophobicContact CG2-CG 4.27Å; T524-L528 WeakPolarHBondContact O-CB 3.29Å; T524-L528 VanDerWaalsContact O-CG 3.24Å; T524-L528 WeakPolarHBondContact O-CG 3.49Å; T524-L528 PolarHBondContact O-N 3.04Å; I525-L528 PolarHBondContact O-N 2.81Å; L528-V532 HydrophobicContact CD2-CB 4.37Å; L528-V532 HydrophobicContact CD2-CG2 4Å; L528-V532 WeakPolarHBondContact O-CB 3.03Å; L528-V532 PolarHBondContact O-N 2.65Å; L528-N533 PolarHBondContact O-N 2.94Å
529	V	87.7	Confident	82.4	Confident	65 Å²	65	47.8 Å²	47.8	39%	0.394	27%	0.27	S	S	.	.	I	π-helix	trans	-75.3	-38.6	-178	175.1	0	0	0	0	112.2	I479 I525 Y527 N533 N534	I479-V529 HydrophobicContact CD1-CG2 4.47Å; I525-V529 HydrophobicContact CG2-CG2 4.26Å; I525-V529 WeakPolarHBondContact O-CB 3.22Å; I525-V529 WeakPolarHBondContact O-CG2 3.3Å; I525-V529 PolarHBondContact O-N 3.39Å; Y527-V529 PolarHBondContact O-N 3.4Å; V529-N533 WeakPolarHBondContact O-CB 3.43Å; V529-N534 PolarHBondContact O-ND2 2.96Å
530	T	82.8	Confident	81.1	Confident	56 Å²	56	48.4 Å²	48.4	34%	0.344	28%	0.281	S	S	.	.	I	π-helix	trans	-87.8	-33.9	-174.4	60.8	0	0	0	0	113.5	I526 L548	I526-T530 HydrophobicContact CG2-CG2 4.13Å; I526-T530 VanDerWaalsContact O-CB 3.27Å; I526-T530 WeakPolarHBondContact O-CB 3.3Å; I526-T530 VanDerWaalsContact O-CG2 3.27Å; I526-T530 WeakPolarHBondContact O-CG2 3.35Å; I526-T530 PolarHBondContact O-N 2.88Å; I526-T530 PolarHBondContact O-OG1 2.96Å; T530-L548 WeakPolarHBondContact OG1-CD2 3.48Å
531	V	78.1	Confident	80	Confident	2 Å²	2	50 Å²	50	1%	0.012	29%	0.29	C	S	.	.	I	π-helix	trans	-103.8	-53.2	-174.6	-174.8	0	0	0	0	111	Y527 N534 V538 C545 L548	Y527-V531 HydrophobicContact CD2-CB 4.07Å; Y527-V531 HydrophobicContact CD2-CG2 3.73Å; Y527-V531 HydrophobicContact CE2-CB 3.94Å; Y527-V531 HydrophobicContact CE2-CG1 3.97Å; Y527-V531 HydrophobicContact CE2-CG2 3.88Å; Y527-V531 WeakPolarHBondContact O-CA 3.5Å; Y527-V531 VanDerWaalsContact O-CB 3.27Å; Y527-V531 WeakPolarHBondContact O-CB 3.32Å; Y527-V531 PolarHBondContact O-N 3.48Å; V531-N534 PolarHBondContact O-N 3.38Å; V531-V538 HydrophobicContact CG1-CG2 3.82Å; V531-V538 WeakPolarHBondContact O-CG2 3.31Å; V531-C545 VanDerWaalsContact CG2-SG 3.57Å; V531-L548 HydrophobicContact CG2-CD2 3.93Å
532	V	74.6	Confident	79.4	Confident	68 Å²	68	52 Å²	52	41%	0.412	30%	0.302	S	S	.	.	I	π-helix	trans	-73.4	-39.9	-173.2	-179.9	0	0	0	0	111.9	F475 Y527 L528 N534	F475-V532 HydrophobicContact CD2-CG1 4.21Å; F475-V532 HydrophobicContact CE2-CB 4.26Å; F475-V532 HydrophobicContact CE2-CG1 4.11Å; Y527-V532 HydrophobicContact CD1-CG2 4.4Å; Y527-V532 HydrophobicContact CE1-CG2 4.01Å; Y527-V532 PolarHBondContact O-N 3.11Å; L528-V532 HydrophobicContact CD2-CB 4.37Å; L528-V532 HydrophobicContact CD2-CG2 4Å; L528-V532 WeakPolarHBondContact O-CB 3.03Å; L528-V532 PolarHBondContact O-N 2.65Å; V532-N534 VanDerWaalsContact C-N 3.3Å; V532-N534 PolarHBondContact O-N 3.16Å
533	N	76.3	Confident	78.9	Confident	85 Å²	85	55.4 Å²	55.4	46%	0.455	32%	0.319	S	S	.	.	S	Bend	trans	-74.4	-17.6	178.8	-167.7	59.3	0	0	0	113.9	F475 L528 V529 P535	F475-N533 HydrophobicContact CZ-CB 4.16Å; L528-N533 PolarHBondContact O-N 2.94Å; V529-N533 WeakPolarHBondContact O-CB 3.43Å; N533-P535 WeakPolarHBondContact O-CD 3.5Å
534	N	72.4	Confident	78.4	Confident	67 Å²	67	58.2 Å²	58.2	36%	0.358	34%	0.342	S	S	.	.			trans	-118.2	88.6	-173.7	-70.4	-75.2	0	0	0	111.5	V529 V531 V532 K536 V537	V529-N534 PolarHBondContact O-ND2 2.96Å; V531-N534 PolarHBondContact O-N 3.38Å; V532-N534 VanDerWaalsContact C-N 3.3Å; V532-N534 PolarHBondContact O-N 3.16Å; N534-K536 PolarHBondContact O-N 3.31Å; N534-K536 VanDerWaalsContact O-N 3.11Å; N534-V537 HydrophobicContact CB-CB 4.21Å; N534-V537 HydrophobicContact CB-CG2 3.77Å; N534-V537 PolarHBondContact O-N 3.06Å
535	P	66.6	Low	78.2	Confident	74 Å²	74	57.7 Å²	57.7	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-26.8	-179.2	23.9	-33.4	0	0	0	112.7	N533 V537 V538 A539	N533-P535 WeakPolarHBondContact O-CD 3.5Å; P535-V537 VanDerWaalsContact C-N 3.33Å; P535-V537 PolarHBondContact O-N 2.94Å; P535-V538 PolarHBondContact O-N 2.93Å; P535-A539 WeakPolarHBondContact O-CB 3.47Å; P535-A539 PolarHBondContact O-N 3.47Å
536	K	61.7	Low	77.9	Confident	134 Å²	134	57.2 Å²	57.2	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-61.2	-37.3	174.3	-63.7	-177.3	-179	179	0	113	N534 A539 S540	N534-K536 PolarHBondContact O-N 3.31Å; N534-K536 VanDerWaalsContact O-N 3.11Å; K536-A539 PolarHBondContact O-N 3.03Å; K536-S540 WeakPolarHBondContact O-CB 3.35Å; K536-S540 PolarHBondContact O-N 3.1Å
537	V	69.3	Low	77.8	Confident	49 Å²	49	56.7 Å²	56.7	30%	0.297	34%	0.336	S	S	.	.	H	α-helix	trans	-70.9	-39.3	179.5	176.2	0	0	0	0	110.4	N534 P535 N541 P542 C545	N534-V537 HydrophobicContact CB-CB 4.21Å; N534-V537 HydrophobicContact CB-CG2 3.77Å; N534-V537 PolarHBondContact O-N 3.06Å; P535-V537 VanDerWaalsContact C-N 3.33Å; P535-V537 PolarHBondContact O-N 2.94Å; V537-N541 PolarHBondContact O-N 3.34Å; V537-P542 HydrophobicContact CG1-CG 4.15Å; V537-P542 WeakPolarHBondContact O-CD 3.44Å; V537-C545 HydrophobicContact CG1-CB 4.33Å
538	V	66.4	Low	77.9	Confident	21 Å²	21	57 Å²	57	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-44.1	175.3	-179.1	0	0	0	0	110.7	V531 P535 N541 N614 M617	V531-V538 HydrophobicContact CG1-CG2 3.82Å; V531-V538 WeakPolarHBondContact O-CG2 3.31Å; P535-V538 PolarHBondContact O-N 2.93Å; V538-N541 PolarHBondContact O-N 2.97Å; V538-N541 PolarHBondContact O-ND2 3.38Å; V538-N541 PolarHBondContact O-OD1 3.41Å; V538-N614 HydrophobicContact CG1-CB 4.33Å; V538-M617 HydrophobicContact CB-CE 4.35Å; V538-M617 HydrophobicContact CG1-CE 3.72Å; V538-M617 HydrophobicContact CG2-CE 3.7Å
539	A	61.3	Low	78	Confident	44 Å²	44	56.2 Å²	56.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-38.7	179.5	0	0	0	0	0	113.1	V362 P535 K536 N541	V362-A539 HydrophobicContact CG2-CB 4.5Å; P535-A539 WeakPolarHBondContact O-CB 3.47Å; P535-A539 PolarHBondContact O-N 3.47Å; K536-A539 PolarHBondContact O-N 3.03Å; A539-N541 PolarHBondContact O-N 3.29Å; A539-N541 PolarHBondContact O-ND2 2.99Å
540	S	68.8	Low	78.2	Confident	91 Å²	91	55.4 Å²	55.4	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-69.4	-19.3	178.9	178.5	0	0	0	0	113.2	K536 P542	K536-S540 WeakPolarHBondContact O-CB 3.35Å; K536-S540 PolarHBondContact O-N 3.1Å; S540-P542 VanDerWaalsContact C-CD 3.44Å
541	N	72.8	Confident	78.7	Confident	45 Å²	45	57.2 Å²	57.2	24%	0.241	33%	0.329	C	S	.	.			trans	52.3	43.3	175.9	-81.9	-63.2	0	0	0	115.9	V537 V538 A539 N614 C615	V537-N541 PolarHBondContact O-N 3.34Å; V538-N541 PolarHBondContact O-N 2.97Å; V538-N541 PolarHBondContact O-ND2 3.38Å; V538-N541 PolarHBondContact O-OD1 3.41Å; A539-N541 PolarHBondContact O-N 3.29Å; A539-N541 PolarHBondContact O-ND2 2.99Å; N541-N614 PolarHBondContact ND2-OD1 3.26Å; N541-N614 VanDerWaalsContact ND2-OD1 3.17Å; N541-N614 VanDerWaalsContact OD1-C 3.31Å; N541-N614 WeakPolarHBondContact OD1-CA 3.39Å; N541-N614 PolarHBondContact OD1-N 3.46Å; N541-C615 PolarHBondContact OD1-N 3.49Å
542	P	81.8	Confident	79.4	Confident	42 Å²	42	58.1 Å²	58.1	27%	0.273	33%	0.333	S	S	.	.			trans	-69.3	149.3	-177.5	30.9	-34.2	0	0	0	111.2	V537 S540 S544 C545	V537-P542 HydrophobicContact CG1-CG 4.15Å; V537-P542 WeakPolarHBondContact O-CD 3.44Å; S540-P542 VanDerWaalsContact C-CD 3.44Å; P542-S544 PolarHBondContact O-N 3.29Å; P542-S544 VanDerWaalsContact O-N 3.16Å; P542-C545 HydrophobicContact CG-CB 3.9Å; P542-C545 WeakPolarHBondContact O-CB 3.4Å; P542-C545 PolarHBondContact O-N 3.42Å
543	V	84.8	Confident	80.3	Confident	107 Å²	107	56 Å²	56	65%	0.648	32%	0.319	S	S	*	.	H	α-helix	trans	-55.9	-33.9	174.8	179.8	0	0	0	0	111.2	C545 K546 V547	V543-C545 VanDerWaalsContact C-N 3.27Å; V543-C545 PolarHBondContact O-N 3.5Å; V543-K546 PolarHBondContact O-N 3.14Å; V543-K546 VanDerWaalsContact O-N 3.16Å; V543-V547 HydrophobicContact CG1-CG2 4.14Å; V543-V547 WeakPolarHBondContact O-CG2 3.27Å; V543-V547 PolarHBondContact O-N 2.98Å
544	S	85.5	Confident	81.2	Confident	91 Å²	91	53.6 Å²	53.6	64%	0.636	30%	0.304	S	S	*	.	H	α-helix	trans	-54.2	-42	175.6	-175.5	0	0	0	0	112.6	P542 V547 L548	P542-S544 PolarHBondContact O-N 3.29Å; P542-S544 VanDerWaalsContact O-N 3.16Å; S544-V547 PolarHBondContact O-N 2.91Å; S544-L548 WeakPolarHBondContact O-CB 3.47Å; S544-L548 PolarHBondContact O-N 2.83Å
545	C	87.4	Confident	82.3	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-40.3	-179.5	-165.9	0	0	0	0	111.3	V531 V537 P542 V543 L548 H549 C615	V531-C545 VanDerWaalsContact CG2-SG 3.57Å; V537-C545 HydrophobicContact CG1-CB 4.33Å; P542-C545 HydrophobicContact CG-CB 3.9Å; P542-C545 WeakPolarHBondContact O-CB 3.4Å; P542-C545 PolarHBondContact O-N 3.42Å; V543-C545 VanDerWaalsContact C-N 3.27Å; V543-C545 PolarHBondContact O-N 3.5Å; C545-L548 PolarHBondContact O-N 3.26Å; C545-H549 WeakPolarHBondContact O-CB 3.38Å; C545-H549 PolarHBondContact O-N 3.33Å; C545-C615 VanDerWaalsContact CA-SG 3.53Å; C545-C615 HydrophobicContact CB-CB 3.82Å; C545-C615 WeakPolarHBondContact CB-SG 3.11Å; C545-C615 PolarHBondContact O-SG 3.04Å; C545-C615 WeakPolarHBondContact SG-CB 3.46Å; C545-C615 CovalentContact SG-SG 1.98Å; C545-C615 PolarHBondContact SG-SG 3.2Å
546	K	87.3	Confident	83.6	Confident	28 Å²	28	49.7 Å²	49.7	12%	0.122	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-42.4	175.4	-60.5	178	-176.1	177	0	111.8	V543 H549 F550 D612 W616	V543-K546 PolarHBondContact O-N 3.14Å; V543-K546 VanDerWaalsContact O-N 3.16Å; K546-H549 PolarHBondContact O-N 2.91Å; K546-F550 PolarHBondContact O-N 3.43Å; K546-D612 WeakPolarHBondContact CE-OD1 3.01Å; K546-D612 IonicContact NZ-OD1 3.47Å; K546-D612 PolarHBondContact NZ-OD1 3Å; K546-D612 IonicContact NZ-OD2 3.68Å; K546-D612 PolarHBondContact NZ-OD2 3.48Å; K546-W616 HydrophobicContact CB-CD2 4.32Å; K546-W616 HydrophobicContact CB-CE3 4.22Å; K546-W616 HydrophobicContact CB-CH2 4.29Å; K546-W616 HydrophobicContact CB-CZ2 4.35Å; K546-W616 HydrophobicContact CB-CZ3 4.21Å; K546-W616 HydrophobicContact CD-CZ2 4.3Å; K546-W616 HydrophobicContact CG-CD2 4.36Å
547	V	90.6	Very high	85.1	Confident	68 Å²	68	43.4 Å²	43.4	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-42.5	176.4	173.2	0	0	0	0	110.8	V543 S544 F550 F551	V543-V547 HydrophobicContact CG1-CG2 4.14Å; V543-V547 WeakPolarHBondContact O-CG2 3.27Å; V543-V547 PolarHBondContact O-N 2.98Å; S544-V547 PolarHBondContact O-N 2.91Å; V547-F550 WeakPolarHBondContact O-CB 2.94Å; V547-F550 PolarHBondContact O-N 2.85Å; V547-F551 HydrophobicContact CG1-CD2 3.75Å; V547-F551 HydrophobicContact CG1-CE2 3.46Å; V547-F551 VanDerWaalsContact CG1-CE2 3.46Å; V547-F551 WeakPolarHBondContact O-CD2 3.32Å; V547-F551 PolarHBondContact O-N 2.98Å
548	L	91.1	Very high	86.4	Confident	31 Å²	31	41.1 Å²	41.1	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-44.2	175.7	-178.9	62.5	0	0	0	111.7	L523 I526 T530 V531 S544 C545 F550 F551 H552	L523-L548 HydrophobicContact CD2-CD1 4.33Å; I526-L548 HydrophobicContact CG2-CD1 3.89Å; I526-L548 HydrophobicContact CG2-CD2 4.1Å; T530-L548 WeakPolarHBondContact OG1-CD2 3.48Å; V531-L548 HydrophobicContact CG2-CD2 3.93Å; S544-L548 WeakPolarHBondContact O-CB 3.47Å; S544-L548 PolarHBondContact O-N 2.83Å; C545-L548 PolarHBondContact O-N 3.26Å; L548-F550 VanDerWaalsContact C-N 3.31Å; L548-F550 PolarHBondContact O-N 2.86Å; L548-F551 PolarHBondContact O-N 2.72Å; L548-H552 WeakPolarHBondContact O-CB 3.39Å; L548-H552 PolarHBondContact O-N 2.92Å
549	H	89.8	Confident	87.7	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-40.2	175	-177.1	-81.1	0	0	0	112	Y527 C545 K546 H552 M553	Y527-H549 HydrophobicContact CE2-CB 4.43Å; Y527-H549 AromaticContact CE2-CD2 3.98Å; C545-H549 WeakPolarHBondContact O-CB 3.38Å; C545-H549 PolarHBondContact O-N 3.33Å; K546-H549 PolarHBondContact O-N 2.91Å; H549-H552 PolarHBondContact O-N 3.32Å; H549-M553 VanDerWaalsContact CE1-CE 3.47Å; H549-M553 WeakPolarHBondContact CE1-CE 3.16Å; H549-M553 VanDerWaalsContact NE2-CE 3.28Å; H549-M553 WeakPolarHBondContact NE2-CE 2.95Å; H549-M553 WeakPolarHBondContact O-CG 3.21Å; H549-M553 PolarHBondContact O-N 2.67Å
550	F	92.3	Very high	89.3	Confident	48 Å²	48	39.3 Å²	39.3	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-49.6	173.8	173.4	-93.8	0	0	0	112	K546 V547 L548 H552 M553 Y554 L597 V600 A604	K546-F550 PolarHBondContact O-N 3.43Å; V547-F550 WeakPolarHBondContact O-CB 2.94Å; V547-F550 PolarHBondContact O-N 2.85Å; L548-F550 VanDerWaalsContact C-N 3.31Å; L548-F550 PolarHBondContact O-N 2.86Å; F550-H552 VanDerWaalsContact C-N 3.34Å; F550-H552 PolarHBondContact O-N 2.78Å; F550-M553 PolarHBondContact O-N 3.23Å; F550-Y554 WeakPolarHBondContact O-CB 3.31Å; F550-Y554 PolarHBondContact O-N 3.12Å; F550-L597 HydrophobicContact CZ-CD1 4.2Å; F550-V600 HydrophobicContact CD2-CG1 3.71Å; F550-V600 HydrophobicContact CE2-CG1 3.63Å; F550-V600 HydrophobicContact CG-CG1 4.49Å; F550-V600 HydrophobicContact CZ-CG1 4.31Å; F550-A604 HydrophobicContact CD2-CB 3.68Å; F550-A604 HydrophobicContact CE2-CB 4Å
551	F	94.3	Very high	90.5	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.412	19%	0.191	S	C	.	.	H	α-helix	trans	-64.4	-39.2	178.2	-77	-65.6	0	0	0	112.4	L523 V547 L548 Y554 M555	L523-F551 HydrophobicContact CD1-CB 3.95Å; L523-F551 WeakPolarHBondContact CD1-O 3.3Å; V547-F551 HydrophobicContact CG1-CD2 3.75Å; V547-F551 HydrophobicContact CG1-CE2 3.46Å; V547-F551 VanDerWaalsContact CG1-CE2 3.46Å; V547-F551 WeakPolarHBondContact O-CD2 3.32Å; V547-F551 PolarHBondContact O-N 2.98Å; L548-F551 PolarHBondContact O-N 2.72Å; F551-Y554 PolarHBondContact O-N 2.81Å; F551-M555 PolarHBondContact O-N 2.78Å
552	H	92.8	Very high	91.6	Very high	22 Å²	22	33.2 Å²	33.2	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-50.8	175.1	177.1	-101.4	0	0	0	111.4	T524 L548 H549 F550 Y554 M555 L556	T524-H552 PolarHBondContact OG1-NE2 3.43Å; T524-H552 VanDerWaalsContact OG1-NE2 3.15Å; L548-H552 WeakPolarHBondContact O-CB 3.39Å; L548-H552 PolarHBondContact O-N 2.92Å; H549-H552 PolarHBondContact O-N 3.32Å; F550-H552 VanDerWaalsContact C-N 3.34Å; F550-H552 PolarHBondContact O-N 2.78Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 PolarHBondContact O-N 3.5Å; H552-M555 PolarHBondContact O-N 2.74Å; H552-L556 VanDerWaalsContact O-CB 3.31Å; H552-L556 WeakPolarHBondContact O-CB 3.34Å; H552-L556 PolarHBondContact O-N 3.15Å
553	M	92.2	Very high	92.1	Very high	22 Å²	22	31.2 Å²	31.2	11%	0.108	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-36.5	178.2	-69.5	-61.9	177.9	0	0	112.8	H549 F550 L556 G557 V600	H549-M553 VanDerWaalsContact CE1-CE 3.47Å; H549-M553 WeakPolarHBondContact CE1-CE 3.16Å; H549-M553 VanDerWaalsContact NE2-CE 3.28Å; H549-M553 WeakPolarHBondContact NE2-CE 2.95Å; H549-M553 WeakPolarHBondContact O-CG 3.21Å; H549-M553 PolarHBondContact O-N 2.67Å; F550-M553 PolarHBondContact O-N 3.23Å; M553-L556 HydrophobicContact SD-CD2 4.26Å; M553-G557 PolarHBondContact O-N 2.96Å; M553-V600 HydrophobicContact CB-CG1 4.2Å
554	Y	95.3	Very high	92.5	Very high	35 Å²	35	26.8 Å²	26.8	14%	0.137	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-48.5	175.1	172.2	-109.1	0	0	0	112.5	F550 F551 H552 L556 G557 C558 W593 P596 L597	F550-Y554 WeakPolarHBondContact O-CB 3.31Å; F550-Y554 PolarHBondContact O-N 3.12Å; F551-Y554 PolarHBondContact O-N 2.81Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 PolarHBondContact O-N 3.5Å; Y554-L556 VanDerWaalsContact C-N 3.34Å; Y554-G557 PolarHBondContact O-N 3.27Å; Y554-C558 WeakPolarHBondContact CE2-SG 3.38Å; Y554-C558 PolarHBondContact O-N 3.38Å; Y554-C558 PolarHBondContact O-SG 3.33Å; Y554-W593 PolarHBondContact OH-O 3.14Å; Y554-W593 VanDerWaalsContact OH-O 3.11Å; Y554-P596 HydrophobicContact CD2-CB 4.44Å; Y554-P596 HydrophobicContact CE2-CB 4.38Å; Y554-L597 HydrophobicContact CD2-CB 4.34Å; Y554-L597 HydrophobicContact CD2-CD1 4.1Å; Y554-L597 HydrophobicContact CE2-CB 3.85Å; Y554-L597 HydrophobicContact CE2-CD1 4.04Å
555	M	95.9	Very high	92.8	Very high	29 Å²	29	22.5 Å²	22.5	14%	0.143	11%	0.109	C	C	.	.	H	α-helix	trans	-69.4	-33.7	179.1	-67.8	-54.3	170.7	0	0	112.4	L519 N520 L523 F551 H552 C558 N559 W593	L519-M555 HydrophobicContact CB-CG 4.46Å; L519-M555 HydrophobicContact CB-SD 4.21Å; L519-M555 HydrophobicContact CD1-CE 4.5Å; L519-M555 HydrophobicContact CD1-SD 4.33Å; N520-M555 HydrophobicContact CB-CB 4.49Å; L523-M555 HydrophobicContact CD1-CB 3.8Å; L523-M555 HydrophobicContact CD1-CG 3.23Å; L523-M555 HydrophobicContact CG-CG 4.42Å; F551-M555 PolarHBondContact O-N 2.78Å; H552-M555 PolarHBondContact O-N 2.74Å; M555-C558 PolarHBondContact O-N 3.44Å; M555-N559 WeakPolarHBondContact O-CB 3.34Å; M555-N559 PolarHBondContact O-N 2.83Å; M555-W593 HydrophobicContact SD-CZ3 4.16Å
556	L	93.7	Very high	93	Very high	31 Å²	31	22.4 Å²	22.4	16%	0.162	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-50.7	169.9	-176.1	69.1	0	0	0	110.5	N520 H552 M553 Y554 N559 Y560	N520-L556 VanDerWaalsContact OD1-CA 3.29Å; N520-L556 WeakPolarHBondContact OD1-CA 3.47Å; N520-L556 PolarHBondContact OD1-N 2.66Å; H552-L556 VanDerWaalsContact O-CB 3.31Å; H552-L556 WeakPolarHBondContact O-CB 3.34Å; H552-L556 PolarHBondContact O-N 3.15Å; M553-L556 HydrophobicContact SD-CD2 4.26Å; Y554-L556 VanDerWaalsContact C-N 3.34Å; L556-N559 WeakPolarHBondContact O-CB 3.3Å; L556-N559 PolarHBondContact O-N 3.47Å; L556-Y560 HydrophobicContact CD1-CD2 4.27Å; L556-Y560 HydrophobicContact CD1-CE2 3.6Å; L556-Y560 HydrophobicContact CG-CD2 4.18Å; L556-Y560 HydrophobicContact CG-CE2 3.85Å; L556-Y560 WeakPolarHBondContact O-CD2 3.41Å; L556-Y560 PolarHBondContact O-N 3.39Å
557	G	94.3	Very high	93.1	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-57.7	-51.4	175.3	0	0	0	0	0	112.3	M553 Y554 N559 Y560 F561	M553-G557 PolarHBondContact O-N 2.96Å; Y554-G557 PolarHBondContact O-N 3.27Å; G557-N559 PolarHBondContact O-N 3.43Å; G557-Y560 PolarHBondContact O-N 3.2Å; G557-Y560 VanDerWaalsContact O-N 3.12Å; G557-F561 VanDerWaalsContact O-CD2 3.26Å; G557-F561 WeakPolarHBondContact O-CD2 3.07Å; G557-F561 PolarHBondContact O-N 3.07Å
558	C	95.8	Very high	93.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-55.2	-40.6	178.1	-67.1	0	0	0	0	112.3	Y554 M555 F561 W562 W593 P596	Y554-C558 WeakPolarHBondContact CE2-SG 3.38Å; Y554-C558 PolarHBondContact O-N 3.38Å; Y554-C558 PolarHBondContact O-SG 3.33Å; M555-C558 PolarHBondContact O-N 3.44Å; C558-F561 PolarHBondContact O-N 2.97Å; C558-W562 WeakPolarHBondContact O-CB 3.32Å; C558-W562 VanDerWaalsContact O-CD1 3.28Å; C558-W562 PolarHBondContact O-N 3.43Å; C558-W593 HydrophobicContact CB-CE3 4.02Å; C558-W593 HydrophobicContact CB-CZ3 3.95Å; C558-P596 HydrophobicContact CB-CG 4.5Å
559	N	94.7	Very high	93	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-47.4	177.1	179.4	-113.4	0	0	0	112.1	S516 Y517 N520 M555 L556 G557 W562 M563	S516-N559 PolarHBondContact OG-ND2 3.45Å; Y517-N559 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N559 WeakPolarHBondContact CE1-ND2 3.48Å; Y517-N559 VanDerWaalsContact CG-ND2 3.3Å; N520-N559 HydrophobicContact CB-CB 4.15Å; M555-N559 WeakPolarHBondContact O-CB 3.34Å; M555-N559 PolarHBondContact O-N 2.83Å; L556-N559 WeakPolarHBondContact O-CB 3.3Å; L556-N559 PolarHBondContact O-N 3.47Å; G557-N559 PolarHBondContact O-N 3.43Å; N559-W562 PolarHBondContact O-N 3.04Å; N559-M563 PolarHBondContact O-N 2.93Å
560	Y	93.9	Very high	92.9	Very high	23 Å²	23	20.2 Å²	20.2	9%	0.09	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-40.8	176.2	-73.9	-72.8	0	0	0	113.3	L556 G557 M563 L564 I631 L635 F682	L556-Y560 HydrophobicContact CD1-CD2 4.27Å; L556-Y560 HydrophobicContact CD1-CE2 3.6Å; L556-Y560 HydrophobicContact CG-CD2 4.18Å; L556-Y560 HydrophobicContact CG-CE2 3.85Å; L556-Y560 WeakPolarHBondContact O-CD2 3.41Å; L556-Y560 PolarHBondContact O-N 3.39Å; G557-Y560 PolarHBondContact O-N 3.2Å; G557-Y560 VanDerWaalsContact O-N 3.12Å; Y560-M563 HydrophobicContact CD1-CE 3.17Å; Y560-M563 HydrophobicContact CE1-CE 3.56Å; Y560-M563 HydrophobicContact CG-CE 3.84Å; Y560-M563 WeakPolarHBondContact O-CB 3.44Å; Y560-M563 PolarHBondContact O-N 2.9Å; Y560-L564 PolarHBondContact O-N 2.92Å; Y560-I631 HydrophobicContact CD1-CG2 3.99Å; Y560-I631 HydrophobicContact CD2-CD1 4.26Å; Y560-I631 HydrophobicContact CD2-CG2 3.61Å; Y560-I631 HydrophobicContact CE1-CG2 4.49Å; Y560-I631 HydrophobicContact CE2-CG2 4.13Å; Y560-I631 HydrophobicContact CG-CG2 3.57Å; Y560-L635 HydrophobicContact CD1-CD1 4.26Å; Y560-L635 HydrophobicContact CD1-CD2 3.9Å; Y560-L635 HydrophobicContact CD1-CG 4.28Å; Y560-L635 HydrophobicContact CE1-CD1 4.2Å; Y560-L635 HydrophobicContact CE1-CD2 4.3Å; Y560-F682 HydrophobicContact CE1-CD2 4.28Å; Y560-F682 HydrophobicContact CE1-CE2 4.06Å; Y560-F682 WeakPolarHBondContact OH-CE2 3.01Å
561	F	95	Very high	92.6	Very high	9 Å²	9	19 Å²	19	4%	0.039	9%	0.088	C	C	.	.	H	α-helix	trans	-69.4	-32.2	176.9	-81.1	-79.3	0	0	0	112.7	G557 C558 L564 C565 F595 P596 P630 I631 A634	G557-F561 VanDerWaalsContact O-CD2 3.26Å; G557-F561 WeakPolarHBondContact O-CD2 3.07Å; G557-F561 PolarHBondContact O-N 3.07Å; C558-F561 PolarHBondContact O-N 2.97Å; F561-L564 HydrophobicContact CD1-CD2 4.12Å; F561-L564 HydrophobicContact CE1-CD2 4.33Å; F561-L564 WeakPolarHBondContact O-CB 3.12Å; F561-L564 PolarHBondContact O-N 2.78Å; F561-C565 PolarHBondContact O-N 3.41Å; F561-C565 PolarHBondContact O-SG 3.31Å; F561-C565 VanDerWaalsContact O-SG 3.33Å; F561-F595 AromaticContact CD1-CD1 3.94Å; F561-F595 HydrophobicContact CD1-CD1 3.94Å; F561-F595 HydrophobicContact CD2-CD1 4.46Å; F561-F595 AromaticContact CE1-CD1 3.36Å; F561-F595 HydrophobicContact CE1-CD1 3.36Å; F561-F595 AromaticContact CE1-CE1 3.52Å; F561-F595 HydrophobicContact CE1-CE1 3.52Å; F561-F595 HydrophobicContact CE1-CG 4.48Å; F561-F595 AromaticContact CE2-CD1 3.95Å; F561-F595 HydrophobicContact CE2-CD1 3.95Å; F561-F595 HydrophobicContact CE2-CE1 4.12Å; F561-F595 HydrophobicContact CG-CD1 4.48Å; F561-F595 AromaticContact CZ-CD1 3.4Å; F561-F595 HydrophobicContact CZ-CD1 3.4Å; F561-F595 AromaticContact CZ-CE1 3.3Å; F561-F595 HydrophobicContact CZ-CE1 3.3Å; F561-P596 HydrophobicContact CB-CG 3.89Å; F561-P596 HydrophobicContact CD2-CB 4.06Å; F561-P596 HydrophobicContact CD2-CG 3.58Å; F561-P596 HydrophobicContact CE2-CG 4.42Å; F561-P596 HydrophobicContact CG-CG 3.88Å; F561-P630 HydrophobicContact CE2-CB 4.46Å; F561-P630 HydrophobicContact CZ-CB 3.97Å; F561-I631 HydrophobicContact CE2-CG1 4.41Å; F561-A634 HydrophobicContact CE1-CB 4.12Å; F561-A634 HydrophobicContact CZ-CB 4.36Å
562	W	94.9	Very high	92.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-34.4	171.1	-89.5	105.1	0	0	0	112.9	L509 N512 L513 C558 N559 L564 C565 E566 Y589 W593	L509-W562 HydrophobicContact CD1-CZ3 4.37Å; L509-W562 HydrophobicContact CG-CZ3 4.07Å; N512-W562 HydrophobicContact CB-CD2 4.06Å; N512-W562 HydrophobicContact CB-CE3 3.9Å; N512-W562 HydrophobicContact CB-CH2 3.46Å; N512-W562 VanDerWaalsContact CB-CH2 3.46Å; N512-W562 HydrophobicContact CB-CZ2 3.63Å; N512-W562 HydrophobicContact CB-CZ3 3.6Å; L513-W562 HydrophobicContact CD1-CB 3.82Å; C558-W562 WeakPolarHBondContact O-CB 3.32Å; C558-W562 VanDerWaalsContact O-CD1 3.28Å; C558-W562 PolarHBondContact O-N 3.43Å; N559-W562 PolarHBondContact O-N 3.04Å; W562-L564 VanDerWaalsContact C-N 3.3Å; W562-C565 HydrophobicContact CE3-CB 3.97Å; W562-C565 HydrophobicContact CZ3-CB 4.28Å; W562-C565 PolarHBondContact O-N 3.46Å; W562-E566 PolarHBondContact O-N 3.19Å; W562-Y589 HydrophobicContact CH2-CD1 4.34Å; W562-Y589 HydrophobicContact CH2-CE1 4.34Å; W562-Y589 HydrophobicContact CZ2-CD1 4.09Å; W562-Y589 HydrophobicContact CZ2-CE1 4.26Å; W562-W593 AromaticContact CE2-CD1 3.76Å; W562-W593 AromaticContact CE2-CE2 3.84Å; W562-W593 AromaticContact CE2-NE1 3.39Å; W562-W593 AromaticContact CZ2-CD1 3.47Å; W562-W593 VanDerWaalsContact CZ2-CD1 3.47Å; W562-W593 HydrophobicContact CZ2-CG 4.48Å; W562-W593 AromaticContact CZ2-NE1 3.21Å; W562-W593 AromaticContact NE1-CD1 3.45Å; W562-W593 AromaticContact NE1-CD2 3.49Å; W562-W593 AromaticContact NE1-CE2 3.1Å; W562-W593 AromaticContact NE1-CG 3.72Å; W562-W593 AromaticContact NE1-CZ2 3.55Å; W562-W593 AromaticContact NE1-NE1 3.11Å; W562-W593 VanDerWaalsContact NE1-NE1 3.11Å
563	M	92.3	Very high	91.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-37	168.2	-72	-171.6	-76.8	0	0	111.7	L513 Y517 N559 Y560 E566 G567 N638 Q709	L513-M563 HydrophobicContact CD1-CG 3.9Å; Y517-M563 PolarHBondContact OH-SD 3.18Å; N559-M563 PolarHBondContact O-N 2.93Å; Y560-M563 HydrophobicContact CD1-CE 3.17Å; Y560-M563 HydrophobicContact CE1-CE 3.56Å; Y560-M563 HydrophobicContact CG-CE 3.84Å; Y560-M563 WeakPolarHBondContact O-CB 3.44Å; Y560-M563 PolarHBondContact O-N 2.9Å; M563-E566 PolarHBondContact O-N 2.93Å; M563-G567 PolarHBondContact O-N 3.43Å; M563-N638 PolarHBondContact O-ND2 2.87Å; M563-Q709 PolarHBondContact SD-NE2 2.95Å
564	L	93.1	Very high	91.5	Very high	14 Å²	14	19.6 Å²	19.6	7%	0.073	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-45.5	172.1	176.2	66.5	0	0	0	112	Y560 F561 W562 E566 G567 I568 A634 V637 N638 F641	Y560-L564 PolarHBondContact O-N 2.92Å; F561-L564 HydrophobicContact CD1-CD2 4.12Å; F561-L564 HydrophobicContact CE1-CD2 4.33Å; F561-L564 WeakPolarHBondContact O-CB 3.12Å; F561-L564 PolarHBondContact O-N 2.78Å; W562-L564 VanDerWaalsContact C-N 3.3Å; L564-E566 VanDerWaalsContact C-N 3.27Å; L564-E566 PolarHBondContact O-N 2.7Å; L564-G567 PolarHBondContact O-N 3.5Å; L564-G567 VanDerWaalsContact O-N 3.13Å; L564-I568 HydrophobicContact CD1-CD1 4Å; L564-I568 HydrophobicContact CD1-CG1 4.1Å; L564-I568 HydrophobicContact CD2-CD1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.79Å; L564-I568 HydrophobicContact CG-CG1 4.33Å; L564-I568 WeakPolarHBondContact O-CG1 3.43Å; L564-I568 PolarHBondContact O-N 2.89Å; L564-A634 HydrophobicContact CB-CB 4.32Å; L564-A634 HydrophobicContact CD2-CB 3.79Å; L564-A634 HydrophobicContact CG-CB 4.47Å; L564-V637 HydrophobicContact CD1-CB 4.23Å; L564-V637 HydrophobicContact CD1-CG1 3.84Å; L564-N638 WeakPolarHBondContact CA-ND2 3.32Å; L564-N638 WeakPolarHBondContact CA-OD1 3.5Å; L564-N638 VanDerWaalsContact CD1-OD1 3.3Å; L564-N638 WeakPolarHBondContact CD1-OD1 3.46Å; L564-N638 PolarHBondContact N-ND2 3.39Å; L564-F641 HydrophobicContact CD1-CE2 4.24Å
565	C	92.7	Very high	91	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.9	-41.7	176	-72.1	0	0	0	0	111.7	F561 W562 Y569 Y588	F561-C565 PolarHBondContact O-N 3.41Å; F561-C565 PolarHBondContact O-SG 3.31Å; F561-C565 VanDerWaalsContact O-SG 3.33Å; W562-C565 HydrophobicContact CE3-CB 3.97Å; W562-C565 HydrophobicContact CZ3-CB 4.28Å; W562-C565 PolarHBondContact O-N 3.46Å; C565-Y569 VanDerWaalsContact O-CB 3.28Å; C565-Y569 WeakPolarHBondContact O-CB 3.36Å; C565-Y569 PolarHBondContact O-N 2.7Å; C565-Y588 HydrophobicContact CB-CD1 3.94Å
566	E	90.2	Very high	90.2	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-42.9	174.8	-172.6	178.9	-140.7	0	0	112.4	L509 H510 L513 W562 M563 L564 Y569 L570 F717	L509-E566 HydrophobicContact CD2-CB 3.71Å; L509-E566 HydrophobicContact CD2-CG 3.96Å; H510-E566 IonicContact CE1-OE1 2.7Å; H510-E566 PolarHBondContact CE1-OE1 3.23Å; H510-E566 IonicContact ND1-OE1 2.96Å; H510-E566 PolarHBondContact ND1-OE1 3Å; L513-E566 VanDerWaalsContact CD2-CD 3.46Å; L513-E566 WeakPolarHBondContact CD2-OE2 3.35Å; W562-E566 PolarHBondContact O-N 3.19Å; M563-E566 PolarHBondContact O-N 2.93Å; L564-E566 VanDerWaalsContact C-N 3.27Å; L564-E566 PolarHBondContact O-N 2.7Å; E566-Y569 PolarHBondContact O-N 3.11Å; E566-L570 WeakPolarHBondContact O-CB 3.38Å; E566-L570 PolarHBondContact O-N 3.04Å; E566-F717 WeakPolarHBondContact OE1-CE2 3.11Å; E566-F717 WeakPolarHBondContact OE1-CZ 3.13Å
567	G	90.4	Very high	89	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-47.5	174.8	0	0	0	0	0	112.8	M563 L564 L570 H571	M563-G567 PolarHBondContact O-N 3.43Å; L564-G567 PolarHBondContact O-N 3.5Å; L564-G567 VanDerWaalsContact O-N 3.13Å; G567-L570 PolarHBondContact O-N 3.01Å; G567-H571 VanDerWaalsContact O-CB 3.27Å; G567-H571 WeakPolarHBondContact O-CB 3.27Å; G567-H571 PolarHBondContact O-N 3.07Å
568	I	91.1	Very high	87.7	Confident	39 Å²	39	29.2 Å²	29.2	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-47	176	-67.4	166.2	0	0	0	110.5	L564 H571 T572 Y588 L591 F641	L564-I568 HydrophobicContact CD1-CD1 4Å; L564-I568 HydrophobicContact CD1-CG1 4.1Å; L564-I568 HydrophobicContact CD2-CD1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.79Å; L564-I568 HydrophobicContact CG-CG1 4.33Å; L564-I568 WeakPolarHBondContact O-CG1 3.43Å; L564-I568 PolarHBondContact O-N 2.89Å; I568-H571 PolarHBondContact O-N 3.16Å; I568-T572 WeakPolarHBondContact O-CB 3.43Å; I568-T572 PolarHBondContact O-N 3.27Å; I568-T572 PolarHBondContact O-OG1 3.09Å; I568-Y588 HydrophobicContact CB-CE1 4.34Å; I568-Y588 HydrophobicContact CG2-CE1 4.04Å; I568-L591 HydrophobicContact CD1-CD2 3.85Å; I568-F641 HydrophobicContact CB-CE2 4.37Å; I568-F641 HydrophobicContact CD1-CE2 4.42Å; I568-F641 HydrophobicContact CG1-CD2 4.17Å; I568-F641 HydrophobicContact CG1-CE2 3.38Å; I568-F641 HydrophobicContact CG1-CZ 4.04Å
569	Y	88.7	Confident	86	Confident	31 Å²	31	35.7 Å²	35.7	12%	0.122	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-47.1	-179.6	177.2	-98.7	0	0	0	111.5	Q505 R506 L509 C565 E566 T572 L573	Q505-Y569 HydrophobicContact CG-CE2 4.36Å; R506-Y569 HydrophobicContact CB-CE1 3.95Å; R506-Y569 HydrophobicContact CG-CE1 4.05Å; R506-Y569 PolarHBondContact N-OH 2.03Å; L509-Y569 HydrophobicContact CD1-CD2 4.38Å; L509-Y569 HydrophobicContact CD1-CG 4.17Å; C565-Y569 VanDerWaalsContact O-CB 3.28Å; C565-Y569 WeakPolarHBondContact O-CB 3.36Å; C565-Y569 PolarHBondContact O-N 2.7Å; E566-Y569 PolarHBondContact O-N 3.11Å; Y569-T572 PolarHBondContact O-N 3.38Å; Y569-L573 HydrophobicContact CE1-CD1 4.25Å; Y569-L573 WeakPolarHBondContact O-CB 3.39Å; Y569-L573 PolarHBondContact O-N 2.83Å
570	L	86.6	Confident	84.4	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-40.8	-179.8	-168.5	147.8	0	0	0	111.8	E566 G567 L573 I574 I645	E566-L570 WeakPolarHBondContact O-CB 3.38Å; E566-L570 PolarHBondContact O-N 3.04Å; G567-L570 PolarHBondContact O-N 3.01Å; L570-L573 PolarHBondContact O-N 3.27Å; L570-I574 HydrophobicContact CD2-CD1 3.54Å; L570-I574 HydrophobicContact CD2-CG1 4.45Å; L570-I574 HydrophobicContact CG-CD1 4.07Å; L570-I574 WeakPolarHBondContact O-CG1 3.26Å; L570-I574 PolarHBondContact O-N 2.62Å; L570-I574 VanDerWaalsContact O-N 3.11Å; L570-I645 HydrophobicContact CD2-CD1 3.29Å; L570-I645 HydrophobicContact CD2-CG1 3.87Å; L570-I645 HydrophobicContact CD2-CG2 3.9Å
571	H	87.6	Confident	82.7	Confident	22 Å²	22	45.8 Å²	45.8	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-46.6	174.6	176.7	-91.5	0	0	0	111.8	G567 I568 L573 I574 V575 F641 I645	G567-H571 VanDerWaalsContact O-CB 3.27Å; G567-H571 WeakPolarHBondContact O-CB 3.27Å; G567-H571 PolarHBondContact O-N 3.07Å; I568-H571 PolarHBondContact O-N 3.16Å; H571-L573 VanDerWaalsContact C-N 3.33Å; H571-L573 PolarHBondContact O-N 3.01Å; H571-I574 PolarHBondContact O-N 3.02Å; H571-V575 WeakPolarHBondContact O-CB 3.36Å; H571-V575 PolarHBondContact O-N 3.41Å; H571-F641 HydrophobicContact CB-CB 4.07Å; H571-F641 HydrophobicContact CB-CD1 4.12Å; H571-F641 HydrophobicContact CB-CG 4.08Å; H571-F641 AromaticContact CD2-CD1 3.68Å; H571-F641 AromaticContact CG-CD1 3.64Å; H571-F641 AromaticContact ND1-CD1 3.9Å; H571-F641 AromaticContact NE2-CD1 3.97Å; H571-I645 HydrophobicContact CB-CD1 4.06Å; H571-I645 HydrophobicContact CB-CG1 4.3Å
572	T	87.4	Confident	81	Confident	19 Å²	19	53.3 Å²	53.3	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-42.3	-179.6	-55.6	0	0	0	0	111.3	I568 Y569 V576 A577	I568-T572 WeakPolarHBondContact O-CB 3.43Å; I568-T572 PolarHBondContact O-N 3.27Å; I568-T572 PolarHBondContact O-OG1 3.09Å; Y569-T572 PolarHBondContact O-N 3.38Å; T572-V576 HydrophobicContact CG2-CB 4.27Å; T572-V576 CarbonylContact O-C 3.4Å; T572-V576 VanDerWaalsContact O-C 3.23Å; T572-V576 WeakPolarHBondContact O-CA 3.38Å; T572-V576 WeakPolarHBondContact O-CB 3.4Å; T572-V576 PolarHBondContact O-N 3.49Å; T572-V576 VanDerWaalsContact O-N 3.1Å; T572-A577 PolarHBondContact O-N 2.62Å
573	L	84.1	Confident	79.5	Confident	58 Å²	58	56.3 Å²	56.3	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-40.7	179.8	-176.2	145.8	0	0	0	113.1	Y569 L570 H571	Y569-L573 HydrophobicContact CE1-CD1 4.25Å; Y569-L573 WeakPolarHBondContact O-CB 3.39Å; Y569-L573 PolarHBondContact O-N 2.83Å; L570-L573 PolarHBondContact O-N 3.27Å; H571-L573 VanDerWaalsContact C-N 3.33Å; H571-L573 PolarHBondContact O-N 3.01Å
574	I	83.8	Confident	78.6	Confident	73 Å²	73	62.8 Å²	62.8	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-85.1	-43.8	-175.1	-64.1	179.1	0	0	0	112.1	L570 H571 I645 V648	L570-I574 HydrophobicContact CD2-CD1 3.54Å; L570-I574 HydrophobicContact CD2-CG1 4.45Å; L570-I574 HydrophobicContact CG-CD1 4.07Å; L570-I574 WeakPolarHBondContact O-CG1 3.26Å; L570-I574 PolarHBondContact O-N 2.62Å; L570-I574 VanDerWaalsContact O-N 3.11Å; H571-I574 PolarHBondContact O-N 3.02Å; I574-I645 HydrophobicContact CD1-CG2 4.13Å; I574-V648 HydrophobicContact CG2-CG1 4.21Å
575	V	84.3	Confident	78.1	Confident	58 Å²	58	64.5 Å²	64.5	35%	0.352	34%	0.339	S	S	.	.	H	α-helix	trans	-95.7	-42.3	-170.5	-177.4	0	0	0	0	111.6	H571 V648	H571-V575 WeakPolarHBondContact O-CB 3.36Å; H571-V575 PolarHBondContact O-N 3.41Å; V575-V648 HydrophobicContact CG1-CG2 4.25Å; V575-V648 HydrophobicContact CG2-CB 4.29Å; V575-V648 HydrophobicContact CG2-CG2 3.92Å
576	V	79.1	Confident	77.8	Confident	48 Å²	48	71.1 Å²	71.1	29%	0.291	37%	0.37	S	S	.	.	S	Bend	trans	-104.9	18.8	-166.7	-171	0	0	0	0	110.8	T572 V578 F579	T572-V576 HydrophobicContact CG2-CB 4.27Å; T572-V576 CarbonylContact O-C 3.4Å; T572-V576 VanDerWaalsContact O-C 3.23Å; T572-V576 WeakPolarHBondContact O-CA 3.38Å; T572-V576 WeakPolarHBondContact O-CB 3.4Å; T572-V576 PolarHBondContact O-N 3.49Å; T572-V576 VanDerWaalsContact O-N 3.1Å; V576-V578 PolarHBondContact O-N 2.86Å; V576-F579 HydrophobicContact CG1-CB 4.13Å; V576-F579 HydrophobicContact CG1-CD2 3.3Å; V576-F579 HydrophobicContact CG1-CE2 4.03Å; V576-F579 HydrophobicContact CG1-CG 4.07Å; V576-F579 PolarHBondContact O-N 3.27Å
577	A	69.9	Low	77.8	Confident	62 Å²	62	79.5 Å²	79.5	51%	0.512	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-36.2	-28.9	-166.4	0	0	0	0	0	117.5	T572 F579 A580	T572-A577 PolarHBondContact O-N 2.62Å; A577-F579 PolarHBondContact O-N 3.1Å; A577-A580 WeakPolarHBondContact O-CB 3.3Å; A577-A580 PolarHBondContact O-N 3.16Å
578	V	66.5	Low	77.9	Confident	131 Å²	131	80.4 Å²	80.4	79%	0.794	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-57.8	-26.4	172.3	-174.7	0	0	0	0	113.8	V576	V576-V578 PolarHBondContact O-N 2.86Å
579	F	60.6	Low	77.9	Confident	137 Å²	137	83 Å²	83	60%	0.601	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-104.9	8.9	-177.9	-61.5	-89.1	0	0	0	113.9	V576 A577 E581 Q583	V576-F579 HydrophobicContact CG1-CB 4.13Å; V576-F579 HydrophobicContact CG1-CD2 3.3Å; V576-F579 HydrophobicContact CG1-CE2 4.03Å; V576-F579 HydrophobicContact CG1-CG 4.07Å; V576-F579 PolarHBondContact O-N 3.27Å; A577-F579 PolarHBondContact O-N 3.1Å; F579-E581 VanDerWaalsContact C-N 3.25Å; F579-E581 PolarHBondContact O-N 3.42Å; F579-Q583 WeakPolarHBondContact O-CG 3.3Å
580	A	61.3	Low	78.2	Confident	47 Å²	47	85.9 Å²	85.9	39%	0.388	43%	0.431	S	S	.	.	S	Bend	trans	-70.8	-21	-178.6	0	0	0	0	0	113.3	A577	A577-A580 WeakPolarHBondContact O-CB 3.3Å; A577-A580 PolarHBondContact O-N 3.16Å
581	E	58.1	Low	78.5	Confident	191 Å²	191	87.3 Å²	87.3	89%	0.893	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.3	-171.8	-127.8	165.6	-171.4	0	0	114.1	F579	F579-E581 VanDerWaalsContact C-N 3.25Å; F579-E581 PolarHBondContact O-N 3.42Å
582	E	58.3	Low	78.8	Confident	168 Å²	168	86.3 Å²	86.3	79%	0.785	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	16.5	-176.6	-62.4	-160.4	162.6	0	0	114.7	H584	E582-H584 PolarHBondContact O-N 2.73Å; E582-H584 VanDerWaalsContact O-N 3.11Å
583	Q	63.1	Low	79.2	Confident	63 Å²	63	88 Å²	88	29%	0.294	44%	0.438	S	S	.	.			trans	-79.1	100.9	-170.5	-68.5	-96.1	-43.9	0	0	112.6	F579 L585 Y588	F579-Q583 WeakPolarHBondContact O-CG 3.3Å; Q583-L585 PolarHBondContact O-N 3.32Å; Q583-Y588 VanDerWaalsContact OE1-CE2 3.23Å; Q583-Y588 VanDerWaalsContact OE1-CZ 3.28Å; Q583-Y588 PolarHBondContact OE1-OH 3.02Å
584	H	74.4	Confident	79.7	Confident	135 Å²	135	87 Å²	87	63%	0.625	44%	0.44	S	S	*	.			trans	-73.4	114.4	173.3	-65.2	-73.9	0	0	0	112.2	E582 H586 W587	E582-H584 PolarHBondContact O-N 2.73Å; E582-H584 VanDerWaalsContact O-N 3.11Å; H584-H586 PolarHBondContact O-N 3.24Å; H584-W587 PolarHBondContact O-N 3.35Å
585	L	82	Confident	80.2	Confident	50 Å²	50	87.8 Å²	87.8	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-49.5	-31.9	174.3	-93.2	156.4	0	0	0	114	Q505 Q583 W587 Y588 Y589	Q505-L585 VanDerWaalsContact OE1-CD1 3.22Å; Q583-L585 PolarHBondContact O-N 3.32Å; L585-W587 VanDerWaalsContact C-N 3.26Å; L585-W587 PolarHBondContact O-N 3.08Å; L585-Y588 WeakPolarHBondContact O-CB 3.49Å; L585-Y588 PolarHBondContact O-N 3.22Å; L585-Y589 HydrophobicContact CB-CD2 4.42Å; L585-Y589 HydrophobicContact CB-CE2 4.38Å; L585-Y589 HydrophobicContact CD2-CE2 4.12Å; L585-Y589 WeakPolarHBondContact O-CD2 3.42Å; L585-Y589 PolarHBondContact O-N 3.49Å; L585-Y589 VanDerWaalsContact O-N 3.14Å
586	H	87.4	Confident	80.8	Confident	140 Å²	140	85.1 Å²	85.1	65%	0.648	43%	0.425	S	S	*	.	H	α-helix	trans	-57.1	-38.1	-176.5	-169.5	-85.3	0	0	0	112.9	H584 Y588 Y589 L590	H584-H586 PolarHBondContact O-N 3.24Å; H586-Y588 VanDerWaalsContact C-N 3.33Å; H586-Y588 PolarHBondContact O-N 3.32Å; H586-Y589 PolarHBondContact O-N 2.92Å; H586-L590 PolarHBondContact O-N 2.95Å
587	W	90	Very high	81.6	Confident	178 Å²	178	86.5 Å²	86.5	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-65	-36.8	177	-75.7	113	0	0	0	112.5	H584 L585 L590 L591	H584-W587 PolarHBondContact O-N 3.35Å; L585-W587 VanDerWaalsContact C-N 3.26Å; L585-W587 PolarHBondContact O-N 3.08Å; W587-L590 PolarHBondContact O-N 2.88Å; W587-L591 WeakPolarHBondContact O-CB 3.05Å; W587-L591 PolarHBondContact O-N 3.14Å
588	Y	91.3	Very high	82.7	Confident	20 Å²	20	87.6 Å²	87.6	8%	0.078	43%	0.431	C	S	.	.	H	α-helix	trans	-67.6	-37.6	175.4	-70.9	-79.5	0	0	0	112.5	L509 C565 I568 Q583 L585 H586 L591 G592	L509-Y588 HydrophobicContact CD1-CD1 4.37Å; C565-Y588 HydrophobicContact CB-CD1 3.94Å; I568-Y588 HydrophobicContact CB-CE1 4.34Å; I568-Y588 HydrophobicContact CG2-CE1 4.04Å; Q583-Y588 VanDerWaalsContact OE1-CE2 3.23Å; Q583-Y588 VanDerWaalsContact OE1-CZ 3.28Å; Q583-Y588 PolarHBondContact OE1-OH 3.02Å; L585-Y588 WeakPolarHBondContact O-CB 3.49Å; L585-Y588 PolarHBondContact O-N 3.22Å; H586-Y588 VanDerWaalsContact C-N 3.33Å; H586-Y588 PolarHBondContact O-N 3.32Å; Y588-L591 PolarHBondContact O-N 3Å; Y588-G592 PolarHBondContact O-N 3.42Å
589	Y	92.2	Very high	84.1	Confident	92 Å²	92	82 Å²	82	36%	0.361	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-41.3	174.4	-82.7	-80.7	0	0	0	112	N512 W562 L585 H586 W593	N512-Y589 PolarHBondContact ND2-OH 2.89Å; N512-Y589 VanDerWaalsContact OD1-CE1 3.3Å; N512-Y589 WeakPolarHBondContact OD1-CE1 3.26Å; N512-Y589 PolarHBondContact OD1-OH 2.94Å; W562-Y589 HydrophobicContact CH2-CD1 4.34Å; W562-Y589 HydrophobicContact CH2-CE1 4.34Å; W562-Y589 HydrophobicContact CZ2-CD1 4.09Å; W562-Y589 HydrophobicContact CZ2-CE1 4.26Å; L585-Y589 HydrophobicContact CB-CD2 4.42Å; L585-Y589 HydrophobicContact CB-CE2 4.38Å; L585-Y589 HydrophobicContact CD2-CE2 4.12Å; L585-Y589 WeakPolarHBondContact O-CD2 3.42Å; L585-Y589 PolarHBondContact O-N 3.49Å; L585-Y589 VanDerWaalsContact O-N 3.14Å; H586-Y589 PolarHBondContact O-N 2.92Å; Y589-W593 AromaticContact CD1-CD1 3.77Å; Y589-W593 PolarHBondContact O-N 3.15Å
590	L	93.9	Very high	85.6	Confident	93 Å²	93	75.7 Å²	75.7	49%	0.487	37%	0.37	S	S	.	.	I	π-helix	trans	-64.2	-40.9	175.8	-172.6	146.5	0	0	0	111.5	H586 W587 G594 F595	H586-L590 PolarHBondContact O-N 2.95Å; W587-L590 PolarHBondContact O-N 2.88Å; L590-G594 CarbonylContact O-C 3.23Å; L590-G594 WeakPolarHBondContact O-CA 3.49Å; L590-G594 PolarHBondContact O-N 3.13Å; L590-F595 PolarHBondContact O-N 2.01Å
591	L	93.8	Very high	87.1	Confident	49 Å²	49	75.6 Å²	75.6	26%	0.257	37%	0.366	S	S	.	.	I	π-helix	trans	-70.2	-43.7	176.9	-175.2	65	0	0	0	112.6	I568 W587 Y588 F595	I568-L591 HydrophobicContact CD1-CD2 3.85Å; W587-L591 WeakPolarHBondContact O-CB 3.05Å; W587-L591 PolarHBondContact O-N 3.14Å; Y588-L591 PolarHBondContact O-N 3Å; L591-F595 HydrophobicContact CD1-CB 4.44Å; L591-F595 WeakPolarHBondContact O-CB 3.26Å
592	G	94.1	Very high	88.8	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.349	C	S	.	.	I	π-helix	trans	-76.5	-42	-174	0	0	0	0	0	114.3	Y588 P596	Y588-G592 PolarHBondContact O-N 3.42Å; G592-P596 VanDerWaalsContact O-CG 3.3Å; G592-P596 WeakPolarHBondContact O-CG 3.4Å
593	W	95.6	Very high	90.3	Very high	56 Å²	56	63.8 Å²	63.8	21%	0.212	31%	0.313	C	S	.	.	I	π-helix	trans	-106.1	-33.9	-178.2	-64.2	108.6	0	0	0	113.4	L519 Y554 M555 C558 W562 Y589	L519-W593 HydrophobicContact CD1-CH2 4.04Å; L519-W593 HydrophobicContact CD1-CZ3 4.44Å; Y554-W593 PolarHBondContact OH-O 3.14Å; Y554-W593 VanDerWaalsContact OH-O 3.11Å; M555-W593 HydrophobicContact SD-CZ3 4.16Å; C558-W593 HydrophobicContact CB-CE3 4.02Å; C558-W593 HydrophobicContact CB-CZ3 3.95Å; W562-W593 AromaticContact CE2-CD1 3.76Å; W562-W593 AromaticContact CE2-CE2 3.84Å; W562-W593 AromaticContact CE2-NE1 3.39Å; W562-W593 AromaticContact CZ2-CD1 3.47Å; W562-W593 VanDerWaalsContact CZ2-CD1 3.47Å; W562-W593 HydrophobicContact CZ2-CG 4.48Å; W562-W593 AromaticContact CZ2-NE1 3.21Å; W562-W593 AromaticContact NE1-CD1 3.45Å; W562-W593 AromaticContact NE1-CD2 3.49Å; W562-W593 AromaticContact NE1-CE2 3.1Å; W562-W593 AromaticContact NE1-CG 3.72Å; W562-W593 AromaticContact NE1-CZ2 3.55Å; W562-W593 AromaticContact NE1-NE1 3.11Å; W562-W593 VanDerWaalsContact NE1-NE1 3.11Å; Y589-W593 AromaticContact CD1-CD1 3.77Å; Y589-W593 PolarHBondContact O-N 3.15Å
594	G	95	Very high	91.5	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	31%	0.305	S	S	.	.	I	π-helix	trans	-78.7	-52.9	-175.4	0	0	0	0	0	113.1	L590 P596 L597	L590-G594 CarbonylContact O-C 3.23Å; L590-G594 WeakPolarHBondContact O-CA 3.49Å; L590-G594 PolarHBondContact O-N 3.13Å; G594-P596 VanDerWaalsContact C-CD 3.49Å; G594-L597 WeakPolarHBondContact O-CB 3.3Å; G594-L597 PolarHBondContact O-N 3.45Å
595	F	94.6	Very high	92.3	Very high	91 Å²	91	59.8 Å²	59.8	40%	0.399	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-43.9	-176	-175.5	-94.3	0	0	0	114.5	F561 L590 L591 L597 V598 P599 P630	F561-F595 AromaticContact CD1-CD1 3.94Å; F561-F595 HydrophobicContact CD1-CD1 3.94Å; F561-F595 HydrophobicContact CD2-CD1 4.46Å; F561-F595 AromaticContact CE1-CD1 3.36Å; F561-F595 HydrophobicContact CE1-CD1 3.36Å; F561-F595 AromaticContact CE1-CE1 3.52Å; F561-F595 HydrophobicContact CE1-CE1 3.52Å; F561-F595 HydrophobicContact CE1-CG 4.48Å; F561-F595 AromaticContact CE2-CD1 3.95Å; F561-F595 HydrophobicContact CE2-CD1 3.95Å; F561-F595 HydrophobicContact CE2-CE1 4.12Å; F561-F595 HydrophobicContact CG-CD1 4.48Å; F561-F595 AromaticContact CZ-CD1 3.4Å; F561-F595 HydrophobicContact CZ-CD1 3.4Å; F561-F595 AromaticContact CZ-CE1 3.3Å; F561-F595 HydrophobicContact CZ-CE1 3.3Å; L590-F595 PolarHBondContact O-N 2.01Å; L591-F595 HydrophobicContact CD1-CB 4.44Å; L591-F595 WeakPolarHBondContact O-CB 3.26Å; F595-L597 PolarHBondContact O-N 2.93Å; F595-L597 VanDerWaalsContact O-N 3.13Å; F595-V598 PolarHBondContact O-N 3.37Å; F595-V598 VanDerWaalsContact O-N 3.14Å; F595-P599 HydrophobicContact CE1-CG 4.45Å; F595-P599 WeakPolarHBondContact O-CD 3.44Å; F595-P630 HydrophobicContact CE1-CB 4.2Å
596	P	95.8	Very high	92.5	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.013	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.9	-179.6	-18.6	28.7	0	0	0	114.1	Y554 C558 F561 G592 G594 V598 V600	Y554-P596 HydrophobicContact CD2-CB 4.44Å; Y554-P596 HydrophobicContact CE2-CB 4.38Å; C558-P596 HydrophobicContact CB-CG 4.5Å; F561-P596 HydrophobicContact CB-CG 3.89Å; F561-P596 HydrophobicContact CD2-CB 4.06Å; F561-P596 HydrophobicContact CD2-CG 3.58Å; F561-P596 HydrophobicContact CE2-CG 4.42Å; F561-P596 HydrophobicContact CG-CG 3.88Å; G592-P596 VanDerWaalsContact O-CG 3.3Å; G592-P596 WeakPolarHBondContact O-CG 3.4Å; G594-P596 VanDerWaalsContact C-CD 3.49Å; P596-V598 VanDerWaalsContact C-N 3.28Å; P596-V598 PolarHBondContact O-N 3.35Å; P596-V600 VanDerWaalsContact O-CG2 3.31Å; P596-V600 WeakPolarHBondContact O-CG2 3.45Å; P596-V600 PolarHBondContact O-N 3.49Å
597	L	95.1	Very high	92.4	Very high	76 Å²	76	52.4 Å²	52.4	40%	0.398	27%	0.273	S	S	.	.	H	α-helix	trans	-64.7	-33.9	178.7	-173.6	60.7	0	0	0	111.9	F550 Y554 G594 F595 S601	F550-L597 HydrophobicContact CZ-CD1 4.2Å; Y554-L597 HydrophobicContact CD2-CB 4.34Å; Y554-L597 HydrophobicContact CD2-CD1 4.1Å; Y554-L597 HydrophobicContact CE2-CB 3.85Å; Y554-L597 HydrophobicContact CE2-CD1 4.04Å; G594-L597 WeakPolarHBondContact O-CB 3.3Å; G594-L597 PolarHBondContact O-N 3.45Å; F595-L597 PolarHBondContact O-N 2.93Å; F595-L597 VanDerWaalsContact O-N 3.13Å; L597-S601 VanDerWaalsContact O-CB 3.23Å; L597-S601 WeakPolarHBondContact O-CB 3.22Å; L597-S601 PolarHBondContact O-N 3.42Å; L597-S601 PolarHBondContact O-OG 3.29Å
598	V	94.8	Very high	92.1	Very high	86 Å²	86	51.2 Å²	51.2	52%	0.521	27%	0.272	S	S	.	.	H	α-helix	trans	-68.2	-55.5	-174.8	176.7	0	0	0	0	111.7	F595 P596 V600 S601 I602	F595-V598 PolarHBondContact O-N 3.37Å; F595-V598 VanDerWaalsContact O-N 3.14Å; P596-V598 VanDerWaalsContact C-N 3.28Å; P596-V598 PolarHBondContact O-N 3.35Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.28Å; V598-S601 PolarHBondContact O-N 3.11Å; V598-I602 HydrophobicContact CG1-CD1 3.93Å; V598-I602 WeakPolarHBondContact O-CG1 3.18Å; V598-I602 PolarHBondContact O-N 3.26Å
599	P	94.1	Very high	91.7	Very high	14 Å²	14	58 Å²	58	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-39.7	177.3	-23.7	33.9	0	0	0	113.5	F595 I602 H603 P630	F595-P599 HydrophobicContact CE1-CG 4.45Å; F595-P599 WeakPolarHBondContact O-CD 3.44Å; P599-I602 PolarHBondContact O-N 3.17Å; P599-H603 WeakPolarHBondContact O-CB 3.33Å; P599-H603 PolarHBondContact O-N 3Å; P599-P630 HydrophobicContact CB-CG 4.18Å; P599-P630 HydrophobicContact CG-CB 4.36Å; P599-P630 HydrophobicContact CG-CG 3.96Å
600	V	93.9	Very high	91	Very high	4 Å²	4	61 Å²	61	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-38.3	-178.4	178.5	0	0	0	0	111.4	F550 M553 P596 V598 H603 A604 V627	F550-V600 HydrophobicContact CD2-CG1 3.71Å; F550-V600 HydrophobicContact CE2-CG1 3.63Å; F550-V600 HydrophobicContact CG-CG1 4.49Å; F550-V600 HydrophobicContact CZ-CG1 4.31Å; M553-V600 HydrophobicContact CB-CG1 4.2Å; P596-V600 VanDerWaalsContact O-CG2 3.31Å; P596-V600 WeakPolarHBondContact O-CG2 3.45Å; P596-V600 PolarHBondContact O-N 3.49Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.28Å; V600-H603 PolarHBondContact O-N 2.89Å; V600-A604 WeakPolarHBondContact O-CB 3.45Å; V600-A604 PolarHBondContact O-N 3.42Å; V600-V627 HydrophobicContact CG2-CG1 3.96Å; V600-V627 HydrophobicContact CG2-CG2 4.39Å
601	S	92.8	Very high	89.9	Confident	44 Å²	44	61.3 Å²	61.3	31%	0.308	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-43.2	174.2	-59.4	0	0	0	0	111.9	L597 V598 H603 A604 V605	L597-S601 VanDerWaalsContact O-CB 3.23Å; L597-S601 WeakPolarHBondContact O-CB 3.22Å; L597-S601 PolarHBondContact O-N 3.42Å; L597-S601 PolarHBondContact O-OG 3.29Å; V598-S601 PolarHBondContact O-N 3.11Å; S601-H603 VanDerWaalsContact C-N 3.33Å; S601-H603 PolarHBondContact O-N 3.44Å; S601-A604 PolarHBondContact O-N 3Å; S601-V605 WeakPolarHBondContact O-CG2 3.39Å; S601-V605 PolarHBondContact O-N 3.21Å
602	I	92.2	Very high	88.9	Confident	103 Å²	103	62.6 Å²	62.6	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-46.1	175.4	-67.5	166.3	0	0	0	110.2	V598 P599 V605 A606	V598-I602 HydrophobicContact CG1-CD1 3.93Å; V598-I602 WeakPolarHBondContact O-CG1 3.18Å; V598-I602 PolarHBondContact O-N 3.26Å; P599-I602 PolarHBondContact O-N 3.17Å; I602-V605 PolarHBondContact O-N 2.99Å; I602-A606 VanDerWaalsContact O-CB 3.29Å; I602-A606 WeakPolarHBondContact O-CB 3.33Å; I602-A606 PolarHBondContact O-N 3.22Å
603	H	89.9	Confident	87.5	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-44.1	177.3	176.1	82.9	0	0	0	112.4	P599 V600 S601 V605 A606 R607 L623 V627	P599-H603 WeakPolarHBondContact O-CB 3.33Å; P599-H603 PolarHBondContact O-N 3Å; V600-H603 PolarHBondContact O-N 2.89Å; S601-H603 VanDerWaalsContact C-N 3.33Å; S601-H603 PolarHBondContact O-N 3.44Å; H603-V605 PolarHBondContact O-N 2.93Å; H603-A606 PolarHBondContact O-N 3.17Å; H603-R607 WeakPolarHBondContact O-CB 3.09Å; H603-R607 VanDerWaalsContact O-CG 3.28Å; H603-R607 WeakPolarHBondContact O-CG 3.38Å; H603-R607 PolarHBondContact O-N 2.88Å; H603-L623 PolarHBondContact ND1-O 3.48Å; H603-V627 HydrophobicContact CB-CG2 3.3Å; H603-V627 VanDerWaalsContact CG-CG2 3.43Å
604	A	89.6	Confident	86.1	Confident	14 Å²	14	69.1 Å²	69.1	12%	0.116	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-43.4	178.9	0	0	0	0	0	112.4	F550 V600 S601 R607 K608 W616	F550-A604 HydrophobicContact CD2-CB 3.68Å; F550-A604 HydrophobicContact CE2-CB 4Å; V600-A604 WeakPolarHBondContact O-CB 3.45Å; V600-A604 PolarHBondContact O-N 3.42Å; S601-A604 PolarHBondContact O-N 3Å; A604-R607 PolarHBondContact O-N 2.98Å; A604-K608 VanDerWaalsContact O-CB 3.3Å; A604-K608 WeakPolarHBondContact O-CB 3.38Å; A604-K608 PolarHBondContact O-N 2.81Å; A604-W616 HydrophobicContact CB-CH2 4.13Å; A604-W616 HydrophobicContact CB-CZ3 4.14Å
605	V	89.7	Confident	85.1	Confident	101 Å²	101	67.4 Å²	67.4	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-66.1	-43.1	176.5	174.3	0	0	0	0	110.9	S601 I602 H603 K608 K609	S601-V605 WeakPolarHBondContact O-CG2 3.39Å; S601-V605 PolarHBondContact O-N 3.21Å; I602-V605 PolarHBondContact O-N 2.99Å; H603-V605 PolarHBondContact O-N 2.93Å; V605-K608 PolarHBondContact O-N 3.3Å; V605-K609 WeakPolarHBondContact O-CB 3.33Å; V605-K609 PolarHBondContact O-N 2.97Å; V605-K609 VanDerWaalsContact O-N 3.07Å
606	A	87.1	Confident	84.2	Confident	26 Å²	26	64.1 Å²	64.1	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-45.4	176.9	0	0	0	0	0	111.6	I602 H603 K609 Y610 L623	I602-A606 VanDerWaalsContact O-CB 3.29Å; I602-A606 WeakPolarHBondContact O-CB 3.33Å; I602-A606 PolarHBondContact O-N 3.22Å; H603-A606 PolarHBondContact O-N 3.17Å; A606-K609 PolarHBondContact O-N 3.47Å; A606-Y610 HydrophobicContact CB-CD2 4.48Å; A606-Y610 VanDerWaalsContact O-CD2 3.29Å; A606-Y610 WeakPolarHBondContact O-CD2 3Å; A606-Y610 PolarHBondContact O-N 2.89Å; A606-L623 HydrophobicContact CB-CD2 3.97Å
607	R	84.5	Confident	82.9	Confident	9 Å²	9	67.6 Å²	67.6	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-47.4	177.5	-73.7	-74.4	-88.9	178.2	-17.1	111.5	H603 A604 K609 Y610 F611 W616 S618 L623	H603-R607 WeakPolarHBondContact O-CB 3.09Å; H603-R607 VanDerWaalsContact O-CG 3.28Å; H603-R607 WeakPolarHBondContact O-CG 3.38Å; H603-R607 PolarHBondContact O-N 2.88Å; A604-R607 PolarHBondContact O-N 2.98Å; R607-K609 PolarHBondContact O-N 3.38Å; R607-Y610 PolarHBondContact O-N 3.46Å; R607-F611 CarbonylContact O-C 3.54Å; R607-F611 PolarHBondContact O-N 3.46Å; R607-W616 HydrophobicContact CB-CD2 4.17Å; R607-W616 HydrophobicContact CB-CG 4.34Å; R607-W616 HydrophobicContact CB-CZ2 4.31Å; R607-W616 PolarHBondContact NH2-O 2.77Å; R607-S618 PolarHBondContact NH2-O 2.79Å; R607-L623 HydrophobicContact CG-CD2 4.23Å
608	K	84.1	Confident	81.5	Confident	153 Å²	153	66.9 Å²	66.9	67%	0.665	34%	0.343	S	S	*	.	H	α-helix	trans	-56.9	-33.9	175.9	-171.6	174.6	-179.9	178.5	0	113.2	A604 V605 W616	A604-K608 VanDerWaalsContact O-CB 3.3Å; A604-K608 WeakPolarHBondContact O-CB 3.38Å; A604-K608 PolarHBondContact O-N 2.81Å; V605-K608 PolarHBondContact O-N 3.3Å; K608-W616 HydrophobicContact CB-CZ2 4.07Å
609	K	83.1	Confident	79.9	Confident	162 Å²	162	67.9 Å²	67.9	70%	0.704	35%	0.35	S	S	*	.	H	α-helix	trans	-87.8	-37.8	-175.7	-171.2	175.5	-178.6	-179.6	0	114	V605 A606 R607	V605-K609 WeakPolarHBondContact O-CB 3.33Å; V605-K609 PolarHBondContact O-N 2.97Å; V605-K609 VanDerWaalsContact O-N 3.07Å; A606-K609 PolarHBondContact O-N 3.47Å; R607-K609 PolarHBondContact O-N 3.38Å
610	Y	77.9	Confident	78	Confident	155 Å²	155	76.2 Å²	76.2	61%	0.608	39%	0.387	S	S	*	.	H	α-helix	trans	-102.3	-33.4	-171.6	-68.9	-79.1	0	0	0	113.8	A606 R607	A606-Y610 HydrophobicContact CB-CD2 4.48Å; A606-Y610 VanDerWaalsContact O-CD2 3.29Å; A606-Y610 WeakPolarHBondContact O-CD2 3Å; A606-Y610 PolarHBondContact O-N 2.89Å; R607-Y610 PolarHBondContact O-N 3.46Å
611	F	71	Confident	76.6	Confident	100 Å²	100	77.5 Å²	77.5	44%	0.439	40%	0.395	S	S	.	.			trans	-149.9	90.7	-174	-64.8	-78.9	0	0	0	111	R607 D613 L623	R607-F611 CarbonylContact O-C 3.54Å; R607-F611 PolarHBondContact O-N 3.46Å; F611-D613 PolarHBondContact O-N 3.15Å; F611-L623 HydrophobicContact CD2-CD1 4.17Å; F611-L623 HydrophobicContact CD2-CD2 4.33Å; F611-L623 HydrophobicContact CE2-CD1 4.05Å
612	D	72	Confident	75.7	Confident	75 Å²	75	84 Å²	84	40%	0.401	42%	0.42	S	S	.	.			trans	-96.9	49.9	-175.3	-161.2	34.4	0	0	0	114.2	K546 W616	K546-D612 WeakPolarHBondContact CE-OD1 3.01Å; K546-D612 IonicContact NZ-OD1 3.47Å; K546-D612 PolarHBondContact NZ-OD1 3Å; K546-D612 IonicContact NZ-OD2 3.68Å; K546-D612 PolarHBondContact NZ-OD2 3.48Å; D612-W616 PolarHBondContact OD1-NE1 3.32Å
613	D	65.7	Low	74.9	Confident	105 Å²	105	81 Å²	81	56%	0.561	41%	0.405	S	S	*	.			trans	-113.3	150.1	-172.8	-58.7	-44.5	0	0	0	113.9	F611 C615 W616	F611-D613 PolarHBondContact O-N 3.15Å; D613-C615 PolarHBondContact O-N 2.83Å; D613-W616 PolarHBondContact O-N 3.24Å
614	N	65.6	Low	74.5	Confident	88 Å²	88	82.3 Å²	82.3	47%	0.471	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	42.2	56.6	163.6	-64.2	-19.5	0	0	0	115.7	V538 N541 W616 M617	V538-N614 HydrophobicContact CG1-CB 4.33Å; N541-N614 PolarHBondContact ND2-OD1 3.26Å; N541-N614 VanDerWaalsContact ND2-OD1 3.17Å; N541-N614 VanDerWaalsContact OD1-C 3.31Å; N541-N614 WeakPolarHBondContact OD1-CA 3.39Å; N541-N614 PolarHBondContact OD1-N 3.46Å; N614-W616 PolarHBondContact O-N 3.4Å; N614-M617 WeakPolarHBondContact O-CB 3.41Å; N614-M617 PolarHBondContact O-N 3.34Å
615	C	74.1	Confident	74.3	Confident	0 Å²	0	90.3 Å²	90.3	0%	0	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	50.5	29.7	177.7	-178.2	0	0	0	0	114.1	N541 C545 D613 M617	N541-C615 PolarHBondContact OD1-N 3.49Å; C545-C615 VanDerWaalsContact CA-SG 3.53Å; C545-C615 HydrophobicContact CB-CB 3.82Å; C545-C615 WeakPolarHBondContact CB-SG 3.11Å; C545-C615 PolarHBondContact O-SG 3.04Å; C545-C615 WeakPolarHBondContact SG-CB 3.46Å; C545-C615 CovalentContact SG-SG 1.98Å; C545-C615 PolarHBondContact SG-SG 3.2Å; D613-C615 PolarHBondContact O-N 2.83Å; C615-M617 PolarHBondContact O-N 3.16Å
616	W	75.6	Confident	74.2	Confident	22 Å²	22	87.5 Å²	87.5	8%	0.083	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	55.4	17.4	-176.4	-57.2	-20.6	0	0	0	115.2	K546 A604 R607 K608 D612 D613 N614 S618	K546-W616 HydrophobicContact CB-CD2 4.32Å; K546-W616 HydrophobicContact CB-CE3 4.22Å; K546-W616 HydrophobicContact CB-CH2 4.29Å; K546-W616 HydrophobicContact CB-CZ2 4.35Å; K546-W616 HydrophobicContact CB-CZ3 4.21Å; K546-W616 HydrophobicContact CD-CZ2 4.3Å; K546-W616 HydrophobicContact CG-CD2 4.36Å; A604-W616 HydrophobicContact CB-CH2 4.13Å; A604-W616 HydrophobicContact CB-CZ3 4.14Å; R607-W616 HydrophobicContact CB-CD2 4.17Å; R607-W616 HydrophobicContact CB-CG 4.34Å; R607-W616 HydrophobicContact CB-CZ2 4.31Å; R607-W616 PolarHBondContact NH2-O 2.77Å; K608-W616 HydrophobicContact CB-CZ2 4.07Å; D612-W616 PolarHBondContact OD1-NE1 3.32Å; D613-W616 PolarHBondContact O-N 3.24Å; N614-W616 PolarHBondContact O-N 3.4Å; W616-S618 VanDerWaalsContact C-N 3.28Å; W616-S618 PolarHBondContact O-N 3.42Å
617	M	68.8	Low	74.2	Confident	75 Å²	75	86.4 Å²	86.4	37%	0.369	42%	0.419	S	S	.	.			trans	-73.7	-16.7	-175.2	-165.2	-122.5	-75.1	0	0	113.4	Y527 V538 N614 C615 V619	Y527-M617 WeakPolarHBondContact OH-CG 3.06Å; V538-M617 HydrophobicContact CB-CE 4.35Å; V538-M617 HydrophobicContact CG1-CE 3.72Å; V538-M617 HydrophobicContact CG2-CE 3.7Å; N614-M617 WeakPolarHBondContact O-CB 3.41Å; N614-M617 PolarHBondContact O-N 3.34Å; C615-M617 PolarHBondContact O-N 3.16Å; M617-V619 PolarHBondContact O-N 3.09Å
618	S	65.5	Low	74.4	Confident	60 Å²	60	89.2 Å²	89.2	42%	0.42	43%	0.432	S	S	.	.			trans	-68.1	119.2	-180	175.7	0	0	0	0	112.2	R607 W616	R607-S618 PolarHBondContact NH2-O 2.79Å; W616-S618 VanDerWaalsContact C-N 3.28Å; W616-S618 PolarHBondContact O-N 3.42Å
619	V	60.3	Low	74.8	Confident	108 Å²	108	82.6 Å²	82.6	66%	0.655	41%	0.407	S	S	*	.			trans	-84.2	-19.5	-178	-173.9	0	0	0	0	112.5	M617 T621 L624	M617-V619 PolarHBondContact O-N 3.09Å; V619-T621 PolarHBondContact O-N 3.36Å; V619-L624 HydrophobicContact CG1-CD2 3.75Å
620	E	55.1	Low	75.3	Confident	188 Å²	188	76.7 Å²	76.7	88%	0.879	39%	0.385	S	S	*	.			trans	-78.6	23	-170.9	-64.7	-177.9	167.5	0	0	115
621	T	64.3	Low	76	Confident	31 Å²	31	69.6 Å²	69.6	19%	0.19	36%	0.358	C	S	.	.			trans	-110.9	134.2	-177.2	63.2	0	0	0	0	112.1	V619 L623 L624	V619-T621 PolarHBondContact O-N 3.36Å; T621-L623 PolarHBondContact O-N 2.03Å; T621-L624 WeakPolarHBondContact O-CB 3.42Å; T621-L624 PolarHBondContact O-N 3.31Å
622	H	73.7	Confident	77	Confident	182 Å²	182	68.5 Å²	68.5	84%	0.843	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.2	-19.9	173.2	-69.8	-77.6	0	0	0	113.1	L624 Y625	H622-L624 PolarHBondContact O-N 3.23Å; H622-Y625 WeakPolarHBondContact O-CB 3.46Å; H622-Y625 PolarHBondContact O-N 2.68Å
623	L	76.4	Confident	78	Confident	39 Å²	39	67.4 Å²	67.4	20%	0.204	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.2	176.3	-78.6	76.9	0	0	0	113.3	H603 A606 R607 F611 T621 Y625 A626	H603-L623 PolarHBondContact ND1-O 3.48Å; A606-L623 HydrophobicContact CB-CD2 3.97Å; R607-L623 HydrophobicContact CG-CD2 4.23Å; F611-L623 HydrophobicContact CD2-CD1 4.17Å; F611-L623 HydrophobicContact CD2-CD2 4.33Å; F611-L623 HydrophobicContact CE2-CD1 4.05Å; T621-L623 PolarHBondContact O-N 2.03Å; L623-Y625 PolarHBondContact O-N 3.31Å; L623-A626 WeakPolarHBondContact O-CB 3.26Å; L623-A626 PolarHBondContact O-N 2.79Å
624	L	80.4	Confident	79.3	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.188	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.3	-27.7	177.1	-171.7	62.4	0	0	0	112	V619 T621 H622 A626 V627 H628	V619-L624 HydrophobicContact CG1-CD2 3.75Å; T621-L624 WeakPolarHBondContact O-CB 3.42Å; T621-L624 PolarHBondContact O-N 3.31Å; H622-L624 PolarHBondContact O-N 3.23Å; L624-A626 PolarHBondContact O-N 2.86Å; L624-V627 PolarHBondContact O-N 2.81Å; L624-V627 VanDerWaalsContact O-N 3.16Å; L624-H628 WeakPolarHBondContact CD1-CD2 3.5Å; L624-H628 WeakPolarHBondContact CD1-NE2 3.32Å; L624-H628 WeakPolarHBondContact CG-CD2 3.25Å; L624-H628 PolarHBondContact O-CD2 3.15Å; L624-H628 PolarHBondContact O-N 3.07Å; L624-H628 VanDerWaalsContact O-N 3.12Å
625	Y	85.6	Confident	80.5	Confident	181 Å²	181	58.8 Å²	58.8	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-61.2	-26.6	177.8	-169.9	-99.7	0	0	0	112.9	H622 L623 V627 G629	H622-Y625 WeakPolarHBondContact O-CB 3.46Å; H622-Y625 PolarHBondContact O-N 2.68Å; L623-Y625 PolarHBondContact O-N 3.31Å; Y625-V627 VanDerWaalsContact C-N 3.26Å; Y625-V627 PolarHBondContact O-N 3.33Å; Y625-G629 WeakPolarHBondContact O-CA 2.99Å; Y625-G629 PolarHBondContact O-N 3Å
626	A	86.8	Confident	81.3	Confident	42 Å²	42	63.1 Å²	63.1	35%	0.347	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-33.6	177.5	0	0	0	0	0	112.9	L623 L624 P630	L623-A626 WeakPolarHBondContact O-CB 3.26Å; L623-A626 PolarHBondContact O-N 2.79Å; L624-A626 PolarHBondContact O-N 2.86Å; A626-P630 WeakPolarHBondContact O-CD 3.45Å
627	V	88.4	Confident	82.1	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.024	35%	0.352	C	S	.	.	H	α-helix	trans	-92.3	-45.6	178	-177.7	0	0	0	0	111.1	V600 H603 L624 Y625 P630 I631	V600-V627 HydrophobicContact CG2-CG1 3.96Å; V600-V627 HydrophobicContact CG2-CG2 4.39Å; H603-V627 HydrophobicContact CB-CG2 3.3Å; H603-V627 VanDerWaalsContact CG-CG2 3.43Å; L624-V627 PolarHBondContact O-N 2.81Å; L624-V627 VanDerWaalsContact O-N 3.16Å; Y625-V627 VanDerWaalsContact C-N 3.26Å; Y625-V627 PolarHBondContact O-N 3.33Å; V627-P630 WeakPolarHBondContact O-CD 3.3Å; V627-I631 HydrophobicContact CG1-CD1 4.2Å
628	H	88.8	Confident	83.2	Confident	68 Å²	68	61.6 Å²	61.6	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-73.4	-28.2	-176	-76.3	-94.3	0	0	0	113.3	L624 I631 V632	L624-H628 WeakPolarHBondContact CD1-CD2 3.5Å; L624-H628 WeakPolarHBondContact CD1-NE2 3.32Å; L624-H628 WeakPolarHBondContact CG-CD2 3.25Å; L624-H628 PolarHBondContact O-CD2 3.15Å; L624-H628 PolarHBondContact O-N 3.07Å; L624-H628 VanDerWaalsContact O-N 3.12Å; H628-I631 WeakPolarHBondContact O-CB 3.19Å; H628-I631 PolarHBondContact O-N 2.73Å; H628-V632 WeakPolarHBondContact O-CG2 3.3Å; H628-V632 PolarHBondContact O-N 2.69Å
629	G	91.6	Very high	84.3	Confident	14 Å²	14	60.7 Å²	60.7	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-56.1	-55.9	178.9	0	0	0	0	0	113	Y625 I631 V632 A633	Y625-G629 WeakPolarHBondContact O-CA 2.99Å; Y625-G629 PolarHBondContact O-N 3Å; G629-I631 VanDerWaalsContact C-N 3.27Å; G629-I631 PolarHBondContact O-N 3.19Å; G629-V632 PolarHBondContact O-N 2.8Å; G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 2.82Å
630	P	93.9	Very high	85.8	Confident	37 Å²	37	61.2 Å²	61.2	24%	0.24	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-35.5	174.7	-26.8	34.7	0	0	0	114.1	F561 F595 P599 A626 V627 A634	F561-P630 HydrophobicContact CE2-CB 4.46Å; F561-P630 HydrophobicContact CZ-CB 3.97Å; F595-P630 HydrophobicContact CE1-CB 4.2Å; P599-P630 HydrophobicContact CB-CG 4.18Å; P599-P630 HydrophobicContact CG-CB 4.36Å; P599-P630 HydrophobicContact CG-CG 3.96Å; A626-P630 WeakPolarHBondContact O-CD 3.45Å; V627-P630 WeakPolarHBondContact O-CD 3.3Å; P630-A634 WeakPolarHBondContact O-CB 3.2Å; P630-A634 PolarHBondContact O-N 2.75Å
631	I	92.5	Very high	87.5	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-48.7	177.6	-65.5	170.4	0	0	0	110.6	Y560 F561 V627 H628 G629 A633 A634 L635	Y560-I631 HydrophobicContact CD1-CG2 3.99Å; Y560-I631 HydrophobicContact CD2-CD1 4.26Å; Y560-I631 HydrophobicContact CD2-CG2 3.61Å; Y560-I631 HydrophobicContact CE1-CG2 4.49Å; Y560-I631 HydrophobicContact CE2-CG2 4.13Å; Y560-I631 HydrophobicContact CG-CG2 3.57Å; F561-I631 HydrophobicContact CE2-CG1 4.41Å; V627-I631 HydrophobicContact CG1-CD1 4.2Å; H628-I631 WeakPolarHBondContact O-CB 3.19Å; H628-I631 PolarHBondContact O-N 2.73Å; G629-I631 VanDerWaalsContact C-N 3.27Å; G629-I631 PolarHBondContact O-N 3.19Å; I631-A633 VanDerWaalsContact C-N 3.32Å; I631-A633 PolarHBondContact O-N 2.89Å; I631-A634 WeakPolarHBondContact O-CB 3.37Å; I631-A634 PolarHBondContact O-N 2.93Å; I631-L635 HydrophobicContact CG2-CD1 4.39Å; I631-L635 WeakPolarHBondContact O-CG 3.32Å; I631-L635 PolarHBondContact O-N 2.86Å
632	V	91.4	Very high	88.5	Confident	76 Å²	76	52.6 Å²	52.6	46%	0.461	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-41	177.9	173.7	0	0	0	0	110.6	H628 G629 A634 L635 L636	H628-V632 WeakPolarHBondContact O-CG2 3.3Å; H628-V632 PolarHBondContact O-N 2.69Å; G629-V632 PolarHBondContact O-N 2.8Å; V632-A634 PolarHBondContact O-N 3.38Å; V632-L635 PolarHBondContact O-N 3.24Å; V632-L636 HydrophobicContact CG1-CD1 4.28Å; V632-L636 WeakPolarHBondContact O-CG 3.47Å; V632-L636 PolarHBondContact O-N 3.16Å
633	A	93	Very high	89.1	Confident	52 Å²	52	48.5 Å²	48.5	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-43.9	174.4	0	0	0	0	0	112.1	G629 I631 L635 L636 V637	G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 2.82Å; I631-A633 VanDerWaalsContact C-N 3.32Å; I631-A633 PolarHBondContact O-N 2.89Å; A633-L635 VanDerWaalsContact C-N 3.35Å; A633-L635 PolarHBondContact O-N 2.91Å; A633-L636 PolarHBondContact O-N 3.27Å; A633-V637 WeakPolarHBondContact O-CG2 3.06Å; A633-V637 PolarHBondContact O-N 3.34Å
634	A	92.7	Very high	89.7	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-42.7	174.7	0	0	0	0	0	112.2	F561 L564 P630 I631 V632 V637 N638	F561-A634 HydrophobicContact CE1-CB 4.12Å; F561-A634 HydrophobicContact CZ-CB 4.36Å; L564-A634 HydrophobicContact CB-CB 4.32Å; L564-A634 HydrophobicContact CD2-CB 3.79Å; L564-A634 HydrophobicContact CG-CB 4.47Å; P630-A634 WeakPolarHBondContact O-CB 3.2Å; P630-A634 PolarHBondContact O-N 2.75Å; I631-A634 WeakPolarHBondContact O-CB 3.37Å; I631-A634 PolarHBondContact O-N 2.93Å; V632-A634 PolarHBondContact O-N 3.38Å; A634-V637 PolarHBondContact O-N 3.43Å; A634-N638 PolarHBondContact O-N 3.42Å
635	L	91.1	Very high	90	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-38.9	176.8	-69.9	178	0	0	0	112.8	Y560 I631 V632 A633 N638 L639 G679 F682 V683	Y560-L635 HydrophobicContact CD1-CD1 4.26Å; Y560-L635 HydrophobicContact CD1-CD2 3.9Å; Y560-L635 HydrophobicContact CD1-CG 4.28Å; Y560-L635 HydrophobicContact CE1-CD1 4.2Å; Y560-L635 HydrophobicContact CE1-CD2 4.3Å; I631-L635 HydrophobicContact CG2-CD1 4.39Å; I631-L635 WeakPolarHBondContact O-CG 3.32Å; I631-L635 PolarHBondContact O-N 2.86Å; V632-L635 PolarHBondContact O-N 3.24Å; A633-L635 VanDerWaalsContact C-N 3.35Å; A633-L635 PolarHBondContact O-N 2.91Å; L635-N638 WeakPolarHBondContact O-CB 2.93Å; L635-N638 PolarHBondContact O-N 3.44Å; L635-L639 PolarHBondContact O-N 3.02Å; L635-G679 WeakPolarHBondContact CD2-O 3.26Å; L635-F682 HydrophobicContact CD1-CB 4.28Å; L635-F682 HydrophobicContact CD1-CD2 4.4Å; L635-V683 HydrophobicContact CB-CG2 3.71Å
636	L	92.2	Very high	90	Very high	92 Å²	92	40.6 Å²	40.6	48%	0.482	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-40.9	175	-71.6	171.4	0	0	0	111.9	V632 A633 L639 F640 V683	V632-L636 HydrophobicContact CG1-CD1 4.28Å; V632-L636 WeakPolarHBondContact O-CG 3.47Å; V632-L636 PolarHBondContact O-N 3.16Å; A633-L636 PolarHBondContact O-N 3.27Å; L636-L639 PolarHBondContact O-N 2.93Å; L636-F640 PolarHBondContact O-N 2.87Å; L636-V683 HydrophobicContact CD2-CG1 3.74Å
637	V	92.6	Very high	90	Very high	63 Å²	63	47.2 Å²	47.2	38%	0.382	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-41.7	174.1	170.9	0	0	0	0	110.8	L564 A633 A634 L639 F640 F641	L564-V637 HydrophobicContact CD1-CB 4.23Å; L564-V637 HydrophobicContact CD1-CG1 3.84Å; A633-V637 WeakPolarHBondContact O-CG2 3.06Å; A633-V637 PolarHBondContact O-N 3.34Å; A634-V637 PolarHBondContact O-N 3.43Å; V637-L639 VanDerWaalsContact C-N 3.35Å; V637-L639 PolarHBondContact O-N 3.27Å; V637-F640 WeakPolarHBondContact O-CB 3.45Å; V637-F640 PolarHBondContact O-N 3.4Å; V637-F641 HydrophobicContact CG1-CD2 3.91Å; V637-F641 HydrophobicContact CG1-CE1 4.43Å; V637-F641 HydrophobicContact CG1-CE2 3.24Å; V637-F641 HydrophobicContact CG1-CZ 3.55Å; V637-F641 WeakPolarHBondContact O-CD2 3.25Å; V637-F641 WeakPolarHBondContact O-CG 3.45Å; V637-F641 PolarHBondContact O-N 2.82Å
638	N	90.9	Very high	89.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-39.5	173.3	-96.3	-3.4	0	0	0	113.1	M563 L564 A634 L635 F641 L642 L678	M563-N638 PolarHBondContact O-ND2 2.87Å; L564-N638 WeakPolarHBondContact CA-ND2 3.32Å; L564-N638 WeakPolarHBondContact CA-OD1 3.5Å; L564-N638 VanDerWaalsContact CD1-OD1 3.3Å; L564-N638 WeakPolarHBondContact CD1-OD1 3.46Å; L564-N638 PolarHBondContact N-ND2 3.39Å; A634-N638 PolarHBondContact O-N 3.42Å; L635-N638 WeakPolarHBondContact O-CB 2.93Å; L635-N638 PolarHBondContact O-N 3.44Å; N638-F641 PolarHBondContact O-N 3.45Å; N638-L642 PolarHBondContact O-N 3.42Å; N638-L678 PolarHBondContact ND2-O 2.69Å
639	L	89.8	Confident	89.5	Confident	42 Å²	42	48.7 Å²	48.7	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-45.4	173.6	173.7	63.6	0	0	0	111	L635 L636 V637 F641 L642 L643 I680 V683	L635-L639 PolarHBondContact O-N 3.02Å; L636-L639 PolarHBondContact O-N 2.93Å; V637-L639 VanDerWaalsContact C-N 3.35Å; V637-L639 PolarHBondContact O-N 3.27Å; L639-F641 VanDerWaalsContact C-N 3.33Å; L639-F641 PolarHBondContact O-N 3.41Å; L639-L642 PolarHBondContact O-N 2.73Å; L639-L643 HydrophobicContact CD1-CD1 4.33Å; L639-L643 HydrophobicContact CD1-CG 4.17Å; L639-L643 HydrophobicContact CG-CD1 4.28Å; L639-L643 WeakPolarHBondContact O-CG 3.31Å; L639-L643 PolarHBondContact O-N 2.64Å; L639-I680 HydrophobicContact CB-CG2 4.43Å; L639-I680 HydrophobicContact CD1-CG2 3.7Å; L639-V683 HydrophobicContact CD2-CB 4.48Å; L639-V683 HydrophobicContact CD2-CG1 3.56Å
640	F	91.2	Very high	88.9	Confident	118 Å²	118	50.5 Å²	50.5	52%	0.518	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-45.2	175.6	172.6	-103.9	0	0	0	111.8	L636 V637 L643 N644	L636-F640 PolarHBondContact O-N 2.87Å; V637-F640 WeakPolarHBondContact O-CB 3.45Å; V637-F640 PolarHBondContact O-N 3.4Å; F640-L643 PolarHBondContact O-N 2.88Å; F640-N644 WeakPolarHBondContact CE1-ND2 3.43Å; F640-N644 WeakPolarHBondContact CZ-ND2 3.24Å; F640-N644 PolarHBondContact O-N 3.41Å; F640-N644 VanDerWaalsContact O-N 3.08Å
641	F	89.8	Confident	88.3	Confident	33 Å²	33	52.1 Å²	52.1	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-45	174.9	-66.1	-34.3	0	0	0	112.4	L564 I568 H571 V637 N638 L639 L643 N644 I645	L564-F641 HydrophobicContact CD1-CE2 4.24Å; I568-F641 HydrophobicContact CB-CE2 4.37Å; I568-F641 HydrophobicContact CD1-CE2 4.42Å; I568-F641 HydrophobicContact CG1-CD2 4.17Å; I568-F641 HydrophobicContact CG1-CE2 3.38Å; I568-F641 HydrophobicContact CG1-CZ 4.04Å; H571-F641 HydrophobicContact CB-CB 4.07Å; H571-F641 HydrophobicContact CB-CD1 4.12Å; H571-F641 HydrophobicContact CB-CG 4.08Å; H571-F641 AromaticContact CD2-CD1 3.68Å; H571-F641 AromaticContact CG-CD1 3.64Å; H571-F641 AromaticContact ND1-CD1 3.9Å; H571-F641 AromaticContact NE2-CD1 3.97Å; V637-F641 HydrophobicContact CG1-CD2 3.91Å; V637-F641 HydrophobicContact CG1-CE1 4.43Å; V637-F641 HydrophobicContact CG1-CE2 3.24Å; V637-F641 HydrophobicContact CG1-CZ 3.55Å; V637-F641 WeakPolarHBondContact O-CD2 3.25Å; V637-F641 WeakPolarHBondContact O-CG 3.45Å; V637-F641 PolarHBondContact O-N 2.82Å; N638-F641 PolarHBondContact O-N 3.45Å; L639-F641 VanDerWaalsContact C-N 3.33Å; L639-F641 PolarHBondContact O-N 3.41Å; F641-L643 VanDerWaalsContact C-N 3.34Å; F641-L643 PolarHBondContact O-N 2.84Å; F641-N644 PolarHBondContact O-N 3.24Å; F641-I645 HydrophobicContact CB-CD1 4.46Å; F641-I645 WeakPolarHBondContact O-CB 3.47Å; F641-I645 VanDerWaalsContact O-CD1 3.3Å; F641-I645 WeakPolarHBondContact O-CD1 3.43Å; F641-I645 VanDerWaalsContact O-CG1 3.23Å; F641-I645 WeakPolarHBondContact O-CG1 3.36Å; F641-I645 PolarHBondContact O-N 2.95Å
642	L	85.8	Confident	87.6	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-47.3	176.4	177.6	67.1	0	0	0	111	N638 L639 N644 I645 I646 L674 V675 L678 I680	N638-L642 PolarHBondContact O-N 3.42Å; L639-L642 PolarHBondContact O-N 2.73Å; L642-N644 VanDerWaalsContact C-N 3.3Å; L642-N644 PolarHBondContact O-N 3.45Å; L642-I645 PolarHBondContact O-N 3.26Å; L642-I646 HydrophobicContact CD1-CD1 3.84Å; L642-I646 HydrophobicContact CD1-CG1 3.98Å; L642-I646 HydrophobicContact CD2-CD1 4.09Å; L642-I646 HydrophobicContact CG-CD1 3.68Å; L642-I646 HydrophobicContact CG-CG1 4.19Å; L642-I646 WeakPolarHBondContact O-CB 3.24Å; L642-I646 VanDerWaalsContact O-CG1 3.27Å; L642-I646 WeakPolarHBondContact O-CG1 3.23Å; L642-I646 PolarHBondContact O-N 3.13Å; L642-L674 HydrophobicContact CD1-CD2 3.89Å; L642-L674 HydrophobicContact CD1-CG 4.29Å; L642-V675 HydrophobicContact CD2-CG2 4Å; L642-L678 HydrophobicContact CB-CD1 3.85Å; L642-L678 HydrophobicContact CD1-CD1 3.82Å; L642-L678 HydrophobicContact CG-CD1 4.28Å; L642-I680 HydrophobicContact CB-CD1 3.51Å; L642-I680 HydrophobicContact CD2-CD1 3.36Å; L642-I680 HydrophobicContact CG-CD1 3.96Å
643	L	87.1	Confident	86.6	Confident	97 Å²	97	56.5 Å²	56.5	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-40.3	179.7	-68.3	175.5	0	0	0	111.8	L639 F640 F641 R647	L639-L643 HydrophobicContact CD1-CD1 4.33Å; L639-L643 HydrophobicContact CD1-CG 4.17Å; L639-L643 HydrophobicContact CG-CD1 4.28Å; L639-L643 WeakPolarHBondContact O-CG 3.31Å; L639-L643 PolarHBondContact O-N 2.64Å; F640-L643 PolarHBondContact O-N 2.88Å; F641-L643 VanDerWaalsContact C-N 3.34Å; F641-L643 PolarHBondContact O-N 2.84Å; L643-R647 WeakPolarHBondContact O-CB 3.48Å; L643-R647 PolarHBondContact O-N 2.89Å
644	N	89.1	Confident	85.6	Confident	39 Å²	39	62.4 Å²	62.4	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-43.4	174.9	-71.8	-20.3	0	0	0	112.4	F640 F641 L642 R647 V648	F640-N644 WeakPolarHBondContact CE1-ND2 3.43Å; F640-N644 WeakPolarHBondContact CZ-ND2 3.24Å; F640-N644 PolarHBondContact O-N 3.41Å; F640-N644 VanDerWaalsContact O-N 3.08Å; F641-N644 PolarHBondContact O-N 3.24Å; L642-N644 VanDerWaalsContact C-N 3.3Å; L642-N644 PolarHBondContact O-N 3.45Å; N644-R647 PolarHBondContact O-N 3Å; N644-V648 WeakPolarHBondContact O-CG2 3Å; N644-V648 PolarHBondContact O-N 3.36Å
645	I	86.9	Confident	84.7	Confident	4 Å²	4	68 Å²	68	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-47.9	176.2	-69.1	154.4	0	0	0	110	L570 H571 I574 F641 L642 R647 V648 L649	L570-I645 HydrophobicContact CD2-CD1 3.29Å; L570-I645 HydrophobicContact CD2-CG1 3.87Å; L570-I645 HydrophobicContact CD2-CG2 3.9Å; H571-I645 HydrophobicContact CB-CD1 4.06Å; H571-I645 HydrophobicContact CB-CG1 4.3Å; I574-I645 HydrophobicContact CD1-CG2 4.13Å; F641-I645 HydrophobicContact CB-CD1 4.46Å; F641-I645 WeakPolarHBondContact O-CB 3.47Å; F641-I645 VanDerWaalsContact O-CD1 3.3Å; F641-I645 WeakPolarHBondContact O-CD1 3.43Å; F641-I645 VanDerWaalsContact O-CG1 3.23Å; F641-I645 WeakPolarHBondContact O-CG1 3.36Å; F641-I645 PolarHBondContact O-N 2.95Å; L642-I645 PolarHBondContact O-N 3.26Å; I645-R647 VanDerWaalsContact C-N 3.35Å; I645-R647 PolarHBondContact O-N 3.45Å; I645-V648 PolarHBondContact O-N 2.95Å; I645-L649 WeakPolarHBondContact O-CB 3.28Å; I645-L649 PolarHBondContact O-N 3.18Å
646	I	83.9	Confident	83.5	Confident	47 Å²	47	72.1 Å²	72.1	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-59.5	-46.8	176.7	-68.9	173.7	0	0	0	109.9	L642 V648 L649 V650 T671	L642-I646 HydrophobicContact CD1-CD1 3.84Å; L642-I646 HydrophobicContact CD1-CG1 3.98Å; L642-I646 HydrophobicContact CD2-CD1 4.09Å; L642-I646 HydrophobicContact CG-CD1 3.68Å; L642-I646 HydrophobicContact CG-CG1 4.19Å; L642-I646 WeakPolarHBondContact O-CB 3.24Å; L642-I646 VanDerWaalsContact O-CG1 3.27Å; L642-I646 WeakPolarHBondContact O-CG1 3.23Å; L642-I646 PolarHBondContact O-N 3.13Å; I646-V648 PolarHBondContact O-N 2.82Å; I646-L649 PolarHBondContact O-N 2.96Å; I646-V650 HydrophobicContact CG2-CG2 4.04Å; I646-V650 VanDerWaalsContact O-CB 3.3Å; I646-V650 WeakPolarHBondContact O-CB 3.47Å; I646-V650 WeakPolarHBondContact O-CG2 3.39Å; I646-V650 PolarHBondContact O-N 2.89Å; I646-T671 HydrophobicContact CG1-CG2 3.88Å
647	R	86.9	Confident	81.7	Confident	180 Å²	180	74.4 Å²	74.4	68%	0.679	36%	0.362	S	S	*	.	H	α-helix	trans	-56.2	-50.2	177.5	178.5	-176.9	175.8	176.1	0.2	111.4	L643 N644 I645 T651	L643-R647 WeakPolarHBondContact O-CB 3.48Å; L643-R647 PolarHBondContact O-N 2.89Å; N644-R647 PolarHBondContact O-N 3Å; I645-R647 VanDerWaalsContact C-N 3.35Å; I645-R647 PolarHBondContact O-N 3.45Å; R647-T651 VanDerWaalsContact O-CB 3.31Å; R647-T651 WeakPolarHBondContact O-CB 3.43Å; R647-T651 PolarHBondContact O-N 2.71Å; R647-T651 PolarHBondContact O-OG1 2.89Å
648	V	85.8	Confident	79.7	Confident	39 Å²	39	83.5 Å²	83.5	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-43.7	-178.9	172.3	0	0	0	0	111	I574 V575 N644 I645 I646 T651 K652	I574-V648 HydrophobicContact CG2-CG1 4.21Å; V575-V648 HydrophobicContact CG1-CG2 4.25Å; V575-V648 HydrophobicContact CG2-CB 4.29Å; V575-V648 HydrophobicContact CG2-CG2 3.92Å; N644-V648 WeakPolarHBondContact O-CG2 3Å; N644-V648 PolarHBondContact O-N 3.36Å; I645-V648 PolarHBondContact O-N 2.95Å; I646-V648 PolarHBondContact O-N 2.82Å; V648-T651 PolarHBondContact O-N 3.48Å; V648-K652 HydrophobicContact CG1-CG 4.32Å; V648-K652 WeakPolarHBondContact O-CB 3.38Å; V648-K652 WeakPolarHBondContact O-CG 3.43Å; V648-K652 PolarHBondContact O-N 3.05Å
649	L	80.8	Confident	77.8	Confident	65 Å²	65	87.9 Å²	87.9	34%	0.34	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-48.7	177.5	-179.5	64.1	0	0	0	111.5	I645 I646 T651 K652 L653 T671	I645-L649 WeakPolarHBondContact O-CB 3.28Å; I645-L649 PolarHBondContact O-N 3.18Å; I646-L649 PolarHBondContact O-N 2.96Å; L649-T651 VanDerWaalsContact C-N 3.34Å; L649-T651 PolarHBondContact O-N 3.19Å; L649-K652 PolarHBondContact O-N 3.41Å; L649-L653 HydrophobicContact CD1-CD1 4Å; L649-L653 HydrophobicContact CD1-CG 4.31Å; L649-L653 HydrophobicContact CG-CD1 3.84Å; L649-L653 VanDerWaalsContact O-CB 3.3Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 WeakPolarHBondContact O-CD1 3.4Å; L649-L653 WeakPolarHBondContact O-CG 3.44Å; L649-L653 PolarHBondContact O-N 3.02Å; L649-T671 HydrophobicContact CD2-CG2 3.77Å
650	V	78.9	Confident	76.5	Confident	52 Å²	52	92 Å²	92	32%	0.315	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-40.2	177.5	171.9	0	0	0	0	110.9	I646 L653 R654 Y664	I646-V650 HydrophobicContact CG2-CG2 4.04Å; I646-V650 VanDerWaalsContact O-CB 3.3Å; I646-V650 WeakPolarHBondContact O-CB 3.47Å; I646-V650 WeakPolarHBondContact O-CG2 3.39Å; I646-V650 PolarHBondContact O-N 2.89Å; V650-L653 PolarHBondContact O-N 2.89Å; V650-R654 WeakPolarHBondContact O-CB 3.25Å; V650-R654 PolarHBondContact O-N 3.38Å; V650-Y664 HydrophobicContact CG1-CE1 4.26Å
651	T	82.2	Confident	75.1	Confident	70 Å²	70	90.8 Å²	90.8	43%	0.429	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-48.3	177	-54.7	0	0	0	0	110.8	R647 V648 L649 L653 R654 D655	R647-T651 VanDerWaalsContact O-CB 3.31Å; R647-T651 WeakPolarHBondContact O-CB 3.43Å; R647-T651 PolarHBondContact O-N 2.71Å; R647-T651 PolarHBondContact O-OG1 2.89Å; V648-T651 PolarHBondContact O-N 3.48Å; L649-T651 VanDerWaalsContact C-N 3.34Å; L649-T651 PolarHBondContact O-N 3.19Å; T651-L653 PolarHBondContact O-N 3.06Å; T651-R654 PolarHBondContact O-N 3.12Å; T651-D655 VanDerWaalsContact O-CG 3.3Å; T651-D655 PolarHBondContact O-N 2.02Å
652	K	77.9	Confident	73.9	Confident	137 Å²	137	94 Å²	94	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-63	-40.1	177.1	-71.9	-68.4	-175.5	-177.3	0	112.6	V648 L649 D655 T656	V648-K652 HydrophobicContact CG1-CG 4.32Å; V648-K652 WeakPolarHBondContact O-CB 3.38Å; V648-K652 WeakPolarHBondContact O-CG 3.43Å; V648-K652 PolarHBondContact O-N 3.05Å; L649-K652 PolarHBondContact O-N 3.41Å; K652-D655 PolarHBondContact O-N 3.3Å; K652-T656 PolarHBondContact O-N 3.46Å; K652-T656 PolarHBondContact O-OG1 3.4Å
653	L	69.9	Low	73	Confident	39 Å²	39	96.6 Å²	96.6	20%	0.204	48%	0.482	C	S	.	.	H	α-helix	trans	-66.8	-36.1	175.3	-74.9	167.7	0	0	0	112.2	L649 V650 T651 T656 H657 M663 A667	L649-L653 HydrophobicContact CD1-CD1 4Å; L649-L653 HydrophobicContact CD1-CG 4.31Å; L649-L653 HydrophobicContact CG-CD1 3.84Å; L649-L653 VanDerWaalsContact O-CB 3.3Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 WeakPolarHBondContact O-CD1 3.4Å; L649-L653 WeakPolarHBondContact O-CG 3.44Å; L649-L653 PolarHBondContact O-N 3.02Å; V650-L653 PolarHBondContact O-N 2.89Å; T651-L653 PolarHBondContact O-N 3.06Å; L653-T656 WeakPolarHBondContact CA-OG1 3.44Å; L653-T656 PolarHBondContact O-OG1 2.82Å; L653-H657 PolarHBondContact O-N 3.5Å; L653-M663 HydrophobicContact CD2-CE 4.05Å; L653-M663 HydrophobicContact CD2-SD 4.38Å; L653-A667 HydrophobicContact CD1-CB 3.43Å; L653-A667 VanDerWaalsContact CD1-CB 3.43Å
654	R	72.8	Confident	72	Confident	176 Å²	176	96.1 Å²	96.1	66%	0.664	47%	0.474	S	S	*	.	H	α-helix	trans	-67.6	-39.9	174.5	-171.7	142.9	92.5	177	4.4	112.2	V650 T651 Y664	V650-R654 WeakPolarHBondContact O-CB 3.25Å; V650-R654 PolarHBondContact O-N 3.38Å; T651-R654 PolarHBondContact O-N 3.12Å; R654-Y664 WeakPolarHBondContact CB-OH 3.39Å; R654-Y664 VanDerWaalsContact CD-OH 3.27Å; R654-Y664 WeakPolarHBondContact CD-OH 3.33Å
655	D	73.3	Confident	71	Confident	122 Å²	122	101 Å²	101	65%	0.652	50%	0.497	S	S	*	.	H	α-helix	trans	-73.7	-27.8	-179.9	-68.5	-18.3	0	0	0	112.5	T651 K652	T651-D655 VanDerWaalsContact O-CG 3.3Å; T651-D655 PolarHBondContact O-N 2.02Å; K652-D655 PolarHBondContact O-N 3.3Å
656	T	66.2	Low	70.3	Confident	94 Å²	94	107.9 Å²	107.9	58%	0.577	53%	0.527	S	S	*	.	H	α-helix	trans	-83.7	-27.8	-179.5	35.7	0	0	0	0	114.4	K652 L653	K652-T656 PolarHBondContact O-N 3.46Å; K652-T656 PolarHBondContact O-OG1 3.4Å; L653-T656 WeakPolarHBondContact CA-OG1 3.44Å; L653-T656 PolarHBondContact O-OG1 2.82Å
657	H	54.5	Low	69.5	Low	139 Å²	139	106.4 Å²	106.4	64%	0.644	52%	0.522	S	S	*	.			trans	-156.3	127.8	176	-88.4	-83.4	0	0	0	114.1	L653 M663	L653-H657 PolarHBondContact O-N 3.5Å; H657-M663 HydrophobicContact CB-CE 4.1Å
658	R	51.2	Low	68.6	Low	254 Å²	254	101.1 Å²	101.1	96%	0.958	51%	0.51	S	S	*	.	S	Bend	trans	-92.7	12.1	-174.1	-152.7	-179.4	175.3	154.6	-0.4	116.5
659	A	49.9	Very low	68	Low	93 Å²	93	108 Å²	108	77%	0.769	53%	0.531	S	S	*	.	S	Bend	trans	-146	8.4	-164	0	0	0	0	0	121
660	E	62.7	Low	67.5	Low	130 Å²	130	107.6 Å²	107.6	61%	0.607	54%	0.537	S	S	*	.			trans	-126.1	105.9	174	-72.1	-165.6	176	0	0	113.3	N662 M663	E660-N662 PolarHBondContact O-N 2.85Å; E660-N662 VanDerWaalsContact O-N 3.11Å; E660-M663 PolarHBondContact O-N 3.25Å
661	S	61.3	Low	67.1	Low	91 Å²	91	105.9 Å²	105.9	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-51.8	-28.8	168.4	52.6	0	0	0	0	112.6	M663 Y664 M665	S661-M663 VanDerWaalsContact C-N 3.34Å; S661-M663 PolarHBondContact O-N 3.2Å; S661-Y664 PolarHBondContact O-N 3.21Å; S661-M665 PolarHBondContact O-N 2.67Å; S661-M665 VanDerWaalsContact O-N 3.1Å
662	N	65.5	Low	66.4	Low	102 Å²	102	107.9 Å²	107.9	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-33.5	176.3	-67.3	-24.2	0	0	0	113.3	E660 K666	E660-N662 PolarHBondContact O-N 2.85Å; E660-N662 VanDerWaalsContact O-N 3.11Å; N662-K666 VanDerWaalsContact O-CG 3.23Å; N662-K666 WeakPolarHBondContact O-CG 3.43Å; N662-K666 PolarHBondContact O-N 3.06Å
663	M	66.6	Low	66	Low	59 Å²	59	104.8 Å²	104.8	29%	0.291	52%	0.524	S	S	.	.	H	α-helix	trans	-78.6	-35.3	178	-167.3	177.3	69.7	0	0	111.6	L653 H657 E660 S661 K666 A667	L653-M663 HydrophobicContact CD2-CE 4.05Å; L653-M663 HydrophobicContact CD2-SD 4.38Å; H657-M663 HydrophobicContact CB-CE 4.1Å; E660-M663 PolarHBondContact O-N 3.25Å; S661-M663 VanDerWaalsContact C-N 3.34Å; S661-M663 PolarHBondContact O-N 3.2Å; M663-K666 PolarHBondContact O-N 3.13Å; M663-A667 WeakPolarHBondContact O-CB 3.13Å; M663-A667 PolarHBondContact O-N 3.03Å
664	Y	66.4	Low	66	Low	86 Å²	86	104.3 Å²	104.3	34%	0.337	52%	0.521	S	S	.	.	H	α-helix	trans	-59.4	-47.6	171.7	-98.2	-91.1	0	0	0	111.6	V650 R654 S661 K666 A667 V668	V650-Y664 HydrophobicContact CG1-CE1 4.26Å; R654-Y664 WeakPolarHBondContact CB-OH 3.39Å; R654-Y664 VanDerWaalsContact CD-OH 3.27Å; R654-Y664 WeakPolarHBondContact CD-OH 3.33Å; S661-Y664 PolarHBondContact O-N 3.21Å; Y664-K666 VanDerWaalsContact C-N 3.32Å; Y664-K666 PolarHBondContact O-N 2.98Å; Y664-A667 PolarHBondContact O-N 3.48Å; Y664-V668 WeakPolarHBondContact O-CB 3.38Å; Y664-V668 VanDerWaalsContact O-CG2 3.3Å; Y664-V668 WeakPolarHBondContact O-CG2 3.37Å; Y664-V668 PolarHBondContact O-N 3.38Å
665	M	68.3	Low	66.1	Low	143 Å²	143	97.1 Å²	97.1	70%	0.704	50%	0.497	S	S	*	.	H	α-helix	trans	-63.4	-36.2	175.6	-75.1	-63.9	-168.4	0	0	112.5	S661 R669	S661-M665 PolarHBondContact O-N 2.67Å; S661-M665 VanDerWaalsContact O-N 3.1Å; M665-R669 WeakPolarHBondContact O-CB 3.34Å; M665-R669 PolarHBondContact O-N 3.45Å
666	K	72.4	Confident	65.8	Low	147 Å²	147	92.5 Å²	92.5	64%	0.639	47%	0.473	S	S	*	.	H	α-helix	trans	-65.5	-41	173.6	-74.8	170.1	-176.1	176.6	0	112.3	N662 M663 Y664 A670	N662-K666 VanDerWaalsContact O-CG 3.23Å; N662-K666 WeakPolarHBondContact O-CG 3.43Å; N662-K666 PolarHBondContact O-N 3.06Å; M663-K666 PolarHBondContact O-N 3.13Å; Y664-K666 VanDerWaalsContact C-N 3.32Å; Y664-K666 PolarHBondContact O-N 2.98Å; K666-A670 WeakPolarHBondContact O-CB 3.4Å; K666-A670 PolarHBondContact O-N 2.9Å
667	A	66.4	Low	66	Low	17 Å²	17	88.2 Å²	88.2	14%	0.14	45%	0.447	C	S	.	.	H	α-helix	trans	-69.1	-45.9	178	0	0	0	0	0	111.9	L653 M663 Y664 R669 A670 T671	L653-A667 HydrophobicContact CD1-CB 3.43Å; L653-A667 VanDerWaalsContact CD1-CB 3.43Å; M663-A667 WeakPolarHBondContact O-CB 3.13Å; M663-A667 PolarHBondContact O-N 3.03Å; Y664-A667 PolarHBondContact O-N 3.48Å; A667-R669 VanDerWaalsContact C-N 3.31Å; A667-R669 PolarHBondContact O-N 2.86Å; A667-A670 WeakPolarHBondContact O-CB 3.2Å; A667-A670 PolarHBondContact O-N 3.43Å; A667-A670 VanDerWaalsContact O-N 3.14Å; A667-T671 PolarHBondContact O-N 3.15Å; A667-T671 PolarHBondContact O-OG1 3.21Å
668	V	67.9	Low	67	Low	69 Å²	69	81.7 Å²	81.7	42%	0.418	42%	0.417	S	S	.	.	H	α-helix	trans	-59.8	-42.9	174.5	171.8	0	0	0	0	110.7	Y664 T671 L672	Y664-V668 WeakPolarHBondContact O-CB 3.38Å; Y664-V668 VanDerWaalsContact O-CG2 3.3Å; Y664-V668 WeakPolarHBondContact O-CG2 3.37Å; Y664-V668 PolarHBondContact O-N 3.38Å; V668-T671 VanDerWaalsContact CA-OG1 3.24Å; V668-T671 WeakPolarHBondContact CA-OG1 3.36Å; V668-T671 PolarHBondContact O-N 3.05Å; V668-T671 PolarHBondContact O-OG1 2.01Å; V668-L672 HydrophobicContact CG1-CD1 4.27Å; V668-L672 WeakPolarHBondContact O-CB 3.35Å; V668-L672 PolarHBondContact O-N 3.12Å
669	R	72.9	Confident	68.2	Low	183 Å²	183	69.6 Å²	69.6	69%	0.691	37%	0.371	S	S	*	.	H	α-helix	trans	-62	-42.1	174	-174.7	177.4	-179.7	-179.8	0.5	112.1	M665 A667 L672 I673	M665-R669 WeakPolarHBondContact O-CB 3.34Å; M665-R669 PolarHBondContact O-N 3.45Å; A667-R669 VanDerWaalsContact C-N 3.31Å; A667-R669 PolarHBondContact O-N 2.86Å; R669-L672 PolarHBondContact O-N 3.23Å; R669-I673 HydrophobicContact CG-CD1 4.35Å; R669-I673 WeakPolarHBondContact O-CD1 3.31Å; R669-I673 VanDerWaalsContact O-CG1 3.24Å; R669-I673 WeakPolarHBondContact O-CG1 3.41Å; R669-I673 PolarHBondContact O-N 3.41Å; R669-I673 VanDerWaalsContact O-N 3.14Å
670	A	69.9	Low	69.6	Low	56 Å²	56	65.1 Å²	65.1	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.9	0	0	0	0	0	112.4	K666 A667 I673 L674	K666-A670 WeakPolarHBondContact O-CB 3.4Å; K666-A670 PolarHBondContact O-N 2.9Å; A667-A670 WeakPolarHBondContact O-CB 3.2Å; A667-A670 PolarHBondContact O-N 3.43Å; A667-A670 VanDerWaalsContact O-N 3.14Å; A670-I673 WeakPolarHBondContact O-CB 3.26Å; A670-I673 PolarHBondContact O-N 2.67Å; A670-L674 PolarHBondContact O-N 3.18Å
671	T	70.8	Confident	70.6	Confident	16 Å²	16	59.4 Å²	59.4	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-71.9	-33.6	174.5	44.4	0	0	0	0	112.9	I646 L649 A667 V668 I673 L674 V675	I646-T671 HydrophobicContact CG1-CG2 3.88Å; L649-T671 HydrophobicContact CD2-CG2 3.77Å; A667-T671 PolarHBondContact O-N 3.15Å; A667-T671 PolarHBondContact O-OG1 3.21Å; V668-T671 VanDerWaalsContact CA-OG1 3.24Å; V668-T671 WeakPolarHBondContact CA-OG1 3.36Å; V668-T671 PolarHBondContact O-N 3.05Å; V668-T671 PolarHBondContact O-OG1 2.01Å; T671-I673 PolarHBondContact O-N 3.01Å; T671-L674 WeakPolarHBondContact O-CA 3.46Å; T671-L674 WeakPolarHBondContact O-CB 3.48Å; T671-L674 PolarHBondContact O-N 2.91Å; T671-V675 PolarHBondContact O-N 2.93Å
672	L	67.9	Low	71.3	Confident	113 Å²	113	57.7 Å²	57.7	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-34.4	171.2	-100.1	157.9	0	0	0	111.8	V668 R669 L674 V675 P676	V668-L672 HydrophobicContact CG1-CD1 4.27Å; V668-L672 WeakPolarHBondContact O-CB 3.35Å; V668-L672 PolarHBondContact O-N 3.12Å; R669-L672 PolarHBondContact O-N 3.23Å; L672-L674 VanDerWaalsContact C-N 3.27Å; L672-L674 PolarHBondContact O-N 3.05Å; L672-V675 PolarHBondContact O-N 2.88Å; L672-P676 VanDerWaalsContact O-CD 3.28Å; L672-P676 WeakPolarHBondContact O-CD 3.49Å
673	I	69.4	Low	72.1	Confident	72 Å²	72	54.3 Å²	54.3	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-70.7	-23.6	174	-67.7	165.7	0	0	0	111.7	R669 A670 T671 P676 I716	R669-I673 HydrophobicContact CG-CD1 4.35Å; R669-I673 WeakPolarHBondContact O-CD1 3.31Å; R669-I673 VanDerWaalsContact O-CG1 3.24Å; R669-I673 WeakPolarHBondContact O-CG1 3.41Å; R669-I673 PolarHBondContact O-N 3.41Å; R669-I673 VanDerWaalsContact O-N 3.14Å; A670-I673 WeakPolarHBondContact O-CB 3.26Å; A670-I673 PolarHBondContact O-N 2.67Å; T671-I673 PolarHBondContact O-N 3.01Å; I673-P676 WeakPolarHBondContact O-CD 3.03Å; I673-I716 HydrophobicContact CG2-CB 4.48Å; I673-I716 HydrophobicContact CG2-CD1 3.32Å; I673-I716 HydrophobicContact CG2-CG1 3.66Å; I673-I716 HydrophobicContact CG2-CG2 3.97Å
674	L	70.1	Confident	72.8	Confident	28 Å²	28	55.4 Å²	55.4	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-80.4	-16.8	176.6	-161.5	64.7	0	0	0	113.3	L642 A670 T671 L672 L677 L678	L642-L674 HydrophobicContact CD1-CD2 3.89Å; L642-L674 HydrophobicContact CD1-CG 4.29Å; A670-L674 PolarHBondContact O-N 3.18Å; T671-L674 WeakPolarHBondContact O-CA 3.46Å; T671-L674 WeakPolarHBondContact O-CB 3.48Å; T671-L674 PolarHBondContact O-N 2.91Å; L672-L674 VanDerWaalsContact C-N 3.27Å; L672-L674 PolarHBondContact O-N 3.05Å; L674-L677 HydrophobicContact CD1-CB 4.29Å; L674-L677 HydrophobicContact CD1-CD1 3.77Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 2.8Å; L674-L678 HydrophobicContact CG-CD1 4.37Å; L674-L678 PolarHBondContact O-N 2.74Å
675	V	73.4	Confident	73.5	Confident	26 Å²	26	56.9 Å²	56.9	16%	0.158	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-49.7	-179.7	172.2	0	0	0	0	112.5	L642 T671 L672 L677 L678 I680 I684	L642-V675 HydrophobicContact CD2-CG2 4Å; T671-V675 PolarHBondContact O-N 2.93Å; L672-V675 PolarHBondContact O-N 2.88Å; V675-L677 PolarHBondContact O-N 3.06Å; V675-L678 PolarHBondContact O-N 2.76Å; V675-I680 HydrophobicContact CG1-CB 4.28Å; V675-I680 HydrophobicContact CG1-CG2 4.48Å; V675-I680 PolarHBondContact O-N 3.4Å; V675-I684 HydrophobicContact CG1-CD1 3.77Å
676	P	67.3	Low	74	Confident	24 Å²	24	54.1 Å²	54.1	16%	0.156	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.1	174.7	-21.1	32.6	0	0	0	113.4	L672 I673 Q709 L712	L672-P676 VanDerWaalsContact O-CD 3.28Å; L672-P676 WeakPolarHBondContact O-CD 3.49Å; I673-P676 WeakPolarHBondContact O-CD 3.03Å; P676-Q709 WeakPolarHBondContact O-CG 3.43Å; P676-Q709 PolarHBondContact O-NE2 3.42Å; P676-L712 HydrophobicContact CB-CD1 4.25Å; P676-L712 HydrophobicContact CG-CD1 4.48Å
677	L	70.1	Confident	74.4	Confident	4 Å²	4	58 Å²	58	2%	0.021	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-39.2	-179.6	-74.6	172.8	0	0	0	112.1	L674 V675 V713 I716 F717	L674-L677 HydrophobicContact CD1-CB 4.29Å; L674-L677 HydrophobicContact CD1-CD1 3.77Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 2.8Å; V675-L677 PolarHBondContact O-N 3.06Å; L677-V713 HydrophobicContact CD2-CB 3.77Å; L677-V713 HydrophobicContact CD2-CG1 3.84Å; L677-V713 HydrophobicContact CD2-CG2 3.43Å; L677-V713 VanDerWaalsContact CD2-CG2 3.43Å; L677-I716 HydrophobicContact CD1-CD1 4.26Å; L677-I716 HydrophobicContact CD1-CG2 4.17Å; L677-I716 HydrophobicContact CD2-CD1 4.43Å; L677-I716 HydrophobicContact CG-CD1 4.31Å; L677-F717 HydrophobicContact CD1-CD2 4.37Å; L677-F717 HydrophobicContact CD1-CE1 4.33Å; L677-F717 HydrophobicContact CD1-CE2 3.65Å; L677-F717 HydrophobicContact CD1-CZ 3.61Å; L677-F717 HydrophobicContact CD2-CD2 3.7Å; L677-F717 HydrophobicContact CD2-CE2 3.28Å; L677-F717 HydrophobicContact CD2-CZ 4.13Å; L677-F717 HydrophobicContact CG-CE2 3.98Å; L677-F717 HydrophobicContact CG-CZ 4.37Å
678	L	75.7	Confident	75.1	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.6	-177.6	-62.6	177.4	0	0	0	114.1	N638 L642 L674 V675 I680	N638-L678 PolarHBondContact ND2-O 2.69Å; L642-L678 HydrophobicContact CB-CD1 3.85Å; L642-L678 HydrophobicContact CD1-CD1 3.82Å; L642-L678 HydrophobicContact CG-CD1 4.28Å; L674-L678 HydrophobicContact CG-CD1 4.37Å; L674-L678 PolarHBondContact O-N 2.74Å; V675-L678 PolarHBondContact O-N 2.76Å; L678-I680 VanDerWaalsContact C-N 3.32Å; L678-I680 HydrophobicContact CB-CD1 3.51Å; L678-I680 HydrophobicContact CB-CG1 3.83Å; L678-I680 HydrophobicContact CD1-CD1 3.79Å; L678-I680 HydrophobicContact CG-CD1 4.32Å; L678-I680 PolarHBondContact O-N 2.95Å
679	G	76.5	Confident	75.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	20.7	-179.9	0	0	0	0	0	114.3	L635 Q681	L635-G679 WeakPolarHBondContact CD2-O 3.26Å; G679-Q681 VanDerWaalsContact C-N 3.3Å; G679-Q681 VanDerWaalsContact CA-OE1 3.29Å; G679-Q681 PolarHBondContact O-N 3.32Å
680	I	81.1	Confident	75.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.2	-169.4	-68.1	167	0	0	0	112.6	L639 L642 V675 L678 F682 V683 I684	L639-I680 HydrophobicContact CB-CG2 4.43Å; L639-I680 HydrophobicContact CD1-CG2 3.7Å; L642-I680 HydrophobicContact CB-CD1 3.51Å; L642-I680 HydrophobicContact CD2-CD1 3.36Å; L642-I680 HydrophobicContact CG-CD1 3.96Å; V675-I680 HydrophobicContact CG1-CB 4.28Å; V675-I680 HydrophobicContact CG1-CG2 4.48Å; V675-I680 PolarHBondContact O-N 3.4Å; L678-I680 VanDerWaalsContact C-N 3.32Å; L678-I680 HydrophobicContact CB-CD1 3.51Å; L678-I680 HydrophobicContact CB-CG1 3.83Å; L678-I680 HydrophobicContact CD1-CD1 3.79Å; L678-I680 HydrophobicContact CG-CD1 4.32Å; L678-I680 PolarHBondContact O-N 2.95Å; I680-F682 PolarHBondContact O-N 2.93Å; I680-F682 VanDerWaalsContact O-N 3.12Å; I680-V683 PolarHBondContact O-N 3.13Å; I680-I684 HydrophobicContact CG2-CD1 3.78Å; I680-I684 HydrophobicContact CG2-CG1 3.83Å; I680-I684 PolarHBondContact O-N 3.25Å; I680-I684 VanDerWaalsContact O-N 3.16Å
681	Q	82.8	Confident	76.4	Confident	10 Å²	10	66.4 Å²	66.4	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-52.8	-35.2	178.5	61.7	-83.6	13.6	0	0	113.5	G679 V683 F685 L705 Q709	G679-Q681 VanDerWaalsContact C-N 3.3Å; G679-Q681 VanDerWaalsContact CA-OE1 3.29Å; G679-Q681 PolarHBondContact O-N 3.32Å; Q681-V683 VanDerWaalsContact C-N 3.33Å; Q681-V683 PolarHBondContact O-N 3.41Å; Q681-F685 PolarHBondContact O-N 2.89Å; Q681-L705 HydrophobicContact CB-CD1 4.43Å; Q681-Q709 VanDerWaalsContact NE2-CD 3.34Å
682	F	76.3	Confident	76.5	Confident	54 Å²	54	71.6 Å²	71.6	24%	0.237	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-24.3	179.1	-60.2	-74.1	0	0	0	113.9	Y560 L635 I680 P686 M706	Y560-F682 HydrophobicContact CE1-CD2 4.28Å; Y560-F682 HydrophobicContact CE1-CE2 4.06Å; Y560-F682 WeakPolarHBondContact OH-CE2 3.01Å; L635-F682 HydrophobicContact CD1-CB 4.28Å; L635-F682 HydrophobicContact CD1-CD2 4.4Å; I680-F682 PolarHBondContact O-N 2.93Å; I680-F682 VanDerWaalsContact O-N 3.12Å; F682-P686 WeakPolarHBondContact O-CA 3.47Å; F682-M706 HydrophobicContact CE1-CB 4.47Å; F682-M706 HydrophobicContact CE1-CG 4.47Å; F682-M706 HydrophobicContact CE1-SD 3.83Å; F682-M706 HydrophobicContact CZ-CB 3.96Å; F682-M706 HydrophobicContact CZ-CG 3.8Å; F682-M706 HydrophobicContact CZ-SD 3.6Å; F682-M706 VanDerWaalsContact CZ-SD 3.6Å
683	V	82.1	Confident	77	Confident	31 Å²	31	72.7 Å²	72.7	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-90.4	-33.2	-179.3	-177.1	0	0	0	0	111.2	L635 L636 L639 I680 Q681 F685 P686	L635-V683 HydrophobicContact CB-CG2 3.71Å; L636-V683 HydrophobicContact CD2-CG1 3.74Å; L639-V683 HydrophobicContact CD2-CB 4.48Å; L639-V683 HydrophobicContact CD2-CG1 3.56Å; I680-V683 PolarHBondContact O-N 3.13Å; Q681-V683 VanDerWaalsContact C-N 3.33Å; Q681-V683 PolarHBondContact O-N 3.41Å; V683-F685 VanDerWaalsContact C-N 3.35Å; V683-P686 WeakPolarHBondContact O-CD 3.44Å
684	I	80.3	Confident	77.6	Confident	83 Å²	83	71.2 Å²	71.2	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-40	178.4	-64.8	170.2	0	0	0	110.4	V675 I680 P686	V675-I684 HydrophobicContact CG1-CD1 3.77Å; I680-I684 HydrophobicContact CG2-CD1 3.78Å; I680-I684 HydrophobicContact CG2-CG1 3.83Å; I680-I684 PolarHBondContact O-N 3.25Å; I680-I684 VanDerWaalsContact O-N 3.16Å; I684-P686 WeakPolarHBondContact O-CD 3.44Å
685	F	81.4	Confident	78.3	Confident	117 Å²	117	69.9 Å²	69.9	51%	0.513	34%	0.338	S	S	.	.	S	Bend	trans	-126	77.3	-179	-57.1	-74.9	0	0	0	109.2	Q681 V683 Y698 M702	Q681-F685 PolarHBondContact O-N 2.89Å; V683-F685 VanDerWaalsContact C-N 3.35Å; F685-Y698 HydrophobicContact CB-CE2 4Å; F685-Y698 PolarHBondContact O-OH 3.44Å; F685-M702 HydrophobicContact CB-CE 3.36Å; F685-M702 HydrophobicContact CD2-CE 3.69Å; F685-M702 HydrophobicContact CG-CE 3.76Å
686	P	79.3	Confident	78.7	Confident	85 Å²	85	71.4 Å²	71.4	55%	0.552	34%	0.343	S	S	*	.			trans	-81.4	-30	-178.3	30.2	-32.2	0	0	0	112	F682 V683 I684	F682-P686 WeakPolarHBondContact O-CA 3.47Å; V683-P686 WeakPolarHBondContact O-CD 3.44Å; I684-P686 WeakPolarHBondContact O-CD 3.44Å
687	W	80.4	Confident	79.6	Confident	229 Å²	229	74.2 Å²	74.2	87%	0.867	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-100.8	120.5	-169.7	-109.9	-163.6	0	0	0	113.3
688	R	80.8	Confident	80.5	Confident	129 Å²	129	76.5 Å²	76.5	49%	0.487	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.4	126.9	167.8	-176.3	-174.3	-176.6	176.9	11.2	108.4	Y698 E699	R688-Y698 HydrophobicContact CB-CD1 4.12Å; R688-Y698 HydrophobicContact CB-CE1 4.01Å; R688-Y698 HydrophobicContact CG-CD1 4.02Å; R688-Y698 HydrophobicContact CG-CE1 4.39Å; R688-E699 VanDerWaalsContact CZ-CD 3.4Å; R688-E699 IonicContact CZ-OE1 3.06Å; R688-E699 IonicContact CZ-OE2 2.88Å; R688-E699 IonicContact NE-OE1 3.72Å; R688-E699 PolarHBondContact NE-OE1 3.47Å; R688-E699 IonicContact NH1-OE1 2.94Å; R688-E699 PolarHBondContact NH1-OE1 3.44Å; R688-E699 IonicContact NH2-OE1 3.17Å; R688-E699 PolarHBondContact NH2-OE1 3.37Å; R688-E699 IonicContact NH2-OE2 2.71Å; R688-E699 PolarHBondContact NH2-OE2 2.97Å
689	P	82.4	Confident	80.9	Confident	48 Å²	48	78.9 Å²	78.9	31%	0.312	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-66.8	146.3	177.7	27.9	-34.3	0	0	0	111.4	N691 A694	P689-N691 VanDerWaalsContact C-N 3.27Å; P689-N691 PolarHBondContact O-N 2.95Å; P689-A694 HydrophobicContact CB-CB 4.09Å; P689-A694 HydrophobicContact CG-CB 3.65Å
690	E	76.1	Confident	81.5	Confident	202 Å²	202	81.8 Å²	81.8	94%	0.944	39%	0.391	S	S	*	.	S	Bend	trans	-66.4	-30.2	178.7	-64.8	178.8	-179.1	0	0	112.5	R692	E690-R692 PolarHBondContact O-N 2.98Å
691	N	79.5	Confident	81.9	Confident	121 Å²	121	85 Å²	85	65%	0.647	41%	0.41	S	S	*	.	S	Bend	trans	-63.3	122	176.8	-74.1	-25.9	0	0	0	110.4	P689 L693 A694 G695	P689-N691 VanDerWaalsContact C-N 3.27Å; P689-N691 PolarHBondContact O-N 2.95Å; N691-L693 PolarHBondContact O-N 3.34Å; N691-A694 HydrophobicContact CB-CB 3.95Å; N691-A694 CarbonylContact O-C 3.51Å; N691-A694 PolarHBondContact O-N 2.77Å; N691-A694 VanDerWaalsContact O-N 3.17Å; N691-G695 PolarHBondContact O-N 3.31Å
692	R	72.8	Confident	82.1	Confident	126 Å²	126	85.5 Å²	85.5	48%	0.475	41%	0.413	S	S	.	.	H	α-helix	trans	-53.9	-52.3	-175.7	-174.6	-173.3	155.9	159.3	-1	114.1	N463 E690 A694 G695 E696	N463-R692 VanDerWaalsContact CG-CZ 3.47Å; N463-R692 PolarHBondContact ND2-NH1 2.91Å; N463-R692 PolarHBondContact ND2-NH2 3.49Å; N463-R692 PolarHBondContact OD1-NH1 3.4Å; N463-R692 PolarHBondContact OD1-NH2 3.35Å; E690-R692 PolarHBondContact O-N 2.98Å; R692-A694 VanDerWaalsContact C-N 3.32Å; R692-A694 PolarHBondContact O-N 2.78Å; R692-G695 PolarHBondContact O-N 2.95Å; R692-G695 VanDerWaalsContact O-N 3.13Å; R692-E696 IonicContact CZ-OE1 2.77Å; R692-E696 IonicContact NE-OE1 2.75Å; R692-E696 PolarHBondContact NE-OE1 2.03Å; R692-E696 IonicContact NH2-OE1 2.78Å; R692-E696 PolarHBondContact NH2-OE1 3.42Å; R692-E696 PolarHBondContact O-N 3.41Å
693	L	78.5	Confident	82.7	Confident	135 Å²	135	85.6 Å²	85.6	71%	0.707	41%	0.414	S	S	*	.	H	α-helix	trans	-60.5	-43.4	179.9	-178.1	69	0	0	0	111.4	N691 G695 V697	N691-L693 PolarHBondContact O-N 3.34Å; L693-G695 VanDerWaalsContact C-N 3.31Å; L693-G695 PolarHBondContact O-N 2.83Å; L693-V697 WeakPolarHBondContact O-CG2 3.14Å; L693-V697 PolarHBondContact O-N 2.75Å; L693-V697 VanDerWaalsContact O-N 3.12Å
694	A	82.4	Confident	83	Confident	41 Å²	41	87.6 Å²	87.6	34%	0.339	42%	0.423	S	S	.	.	H	α-helix	trans	-67.8	-34.1	177.5	0	0	0	0	0	111.6	P689 N691 R692 Y698	P689-A694 HydrophobicContact CB-CB 4.09Å; P689-A694 HydrophobicContact CG-CB 3.65Å; N691-A694 HydrophobicContact CB-CB 3.95Å; N691-A694 CarbonylContact O-C 3.51Å; N691-A694 PolarHBondContact O-N 2.77Å; N691-A694 VanDerWaalsContact O-N 3.17Å; R692-A694 VanDerWaalsContact C-N 3.32Å; R692-A694 PolarHBondContact O-N 2.78Å; A694-Y698 WeakPolarHBondContact O-CB 3.35Å; A694-Y698 PolarHBondContact O-N 2.99Å
695	G	84.3	Confident	83.4	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.01	42%	0.416	C	S	.	.	H	α-helix	trans	-68.7	-41.6	178	0	0	0	0	0	112.5	N691 R692 L693 Y698 E699	N691-G695 PolarHBondContact O-N 3.31Å; R692-G695 PolarHBondContact O-N 2.95Å; R692-G695 VanDerWaalsContact O-N 3.13Å; L693-G695 VanDerWaalsContact C-N 3.31Å; L693-G695 PolarHBondContact O-N 2.83Å; G695-Y698 PolarHBondContact O-N 2.83Å; G695-E699 WeakPolarHBondContact O-CG 3.37Å; G695-E699 PolarHBondContact O-N 3.35Å
696	E	82.7	Confident	83.7	Confident	58 Å²	58	83.5 Å²	83.5	27%	0.271	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-48.3	173.6	-72.7	177.5	-164.8	0	0	110.8	R692 Y698 E699 Y700	R692-E696 IonicContact CZ-OE1 2.77Å; R692-E696 IonicContact NE-OE1 2.75Å; R692-E696 PolarHBondContact NE-OE1 2.03Å; R692-E696 IonicContact NH2-OE1 2.78Å; R692-E696 PolarHBondContact NH2-OE1 3.42Å; R692-E696 PolarHBondContact O-N 3.41Å; E696-Y698 VanDerWaalsContact C-N 3.31Å; E696-Y698 PolarHBondContact O-N 3.42Å; E696-E699 PolarHBondContact O-N 3.17Å; E696-Y700 WeakPolarHBondContact O-CD2 3.33Å; E696-Y700 PolarHBondContact O-N 3.35Å; E696-Y700 VanDerWaalsContact O-N 3.07Å
697	V	87.1	Confident	84.3	Confident	83 Å²	83	80.2 Å²	80.2	50%	0.503	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.7	172.8	0	0	0	0	111.3	L693 E699 Y700 V701	L693-V697 WeakPolarHBondContact O-CG2 3.14Å; L693-V697 PolarHBondContact O-N 2.75Å; L693-V697 VanDerWaalsContact O-N 3.12Å; V697-E699 PolarHBondContact O-N 2.9Å; V697-Y700 PolarHBondContact O-N 3.08Å; V697-V701 HydrophobicContact CG1-CG2 4.35Å; V697-V701 WeakPolarHBondContact O-CG2 3.42Å; V697-V701 PolarHBondContact O-N 2.9Å
698	Y	88.1	Confident	84.8	Confident	52 Å²	52	71.9 Å²	71.9	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-58.5	-45.9	176	171.8	-87.6	0	0	0	111.9	F685 R688 A694 G695 E696 Y700 V701 M702	F685-Y698 HydrophobicContact CB-CE2 4Å; F685-Y698 PolarHBondContact O-OH 3.44Å; R688-Y698 HydrophobicContact CB-CD1 4.12Å; R688-Y698 HydrophobicContact CB-CE1 4.01Å; R688-Y698 HydrophobicContact CG-CD1 4.02Å; R688-Y698 HydrophobicContact CG-CE1 4.39Å; A694-Y698 WeakPolarHBondContact O-CB 3.35Å; A694-Y698 PolarHBondContact O-N 2.99Å; G695-Y698 PolarHBondContact O-N 2.83Å; E696-Y698 VanDerWaalsContact C-N 3.31Å; E696-Y698 PolarHBondContact O-N 3.42Å; Y698-Y700 PolarHBondContact O-N 2.62Å; Y698-V701 PolarHBondContact O-N 2.9Å; Y698-M702 HydrophobicContact CD1-CG 4.32Å; Y698-M702 HydrophobicContact CD2-CE 4.18Å; Y698-M702 HydrophobicContact CD2-CG 4.29Å; Y698-M702 HydrophobicContact CE1-CG 3.95Å; Y698-M702 HydrophobicContact CE2-CE 3.72Å; Y698-M702 HydrophobicContact CE2-CG 3.93Å; Y698-M702 HydrophobicContact CG-CG 4.48Å; Y698-M702 WeakPolarHBondContact O-CB 3.47Å; Y698-M702 WeakPolarHBondContact O-CG 3.38Å; Y698-M702 PolarHBondContact O-N 2.79Å
699	E	85	Confident	85.3	Confident	51 Å²	51	66 Å²	66	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-46	178.1	-78.5	177.3	161	0	0	111.6	R688 G695 E696 V697 M702 H703	R688-E699 VanDerWaalsContact CZ-CD 3.4Å; R688-E699 IonicContact CZ-OE1 3.06Å; R688-E699 IonicContact CZ-OE2 2.88Å; R688-E699 IonicContact NE-OE1 3.72Å; R688-E699 PolarHBondContact NE-OE1 3.47Å; R688-E699 IonicContact NH1-OE1 2.94Å; R688-E699 PolarHBondContact NH1-OE1 3.44Å; R688-E699 IonicContact NH2-OE1 3.17Å; R688-E699 PolarHBondContact NH2-OE1 3.37Å; R688-E699 IonicContact NH2-OE2 2.71Å; R688-E699 PolarHBondContact NH2-OE2 2.97Å; G695-E699 WeakPolarHBondContact O-CG 3.37Å; G695-E699 PolarHBondContact O-N 3.35Å; E696-E699 PolarHBondContact O-N 3.17Å; V697-E699 PolarHBondContact O-N 2.9Å; E699-M702 PolarHBondContact O-N 2.99Å; E699-H703 WeakPolarHBondContact O-CB 3.3Å; E699-H703 PolarHBondContact O-N 2.8Å; E699-H703 PolarHBondContact O-ND1 3.18Å
700	Y	88.8	Confident	85.8	Confident	62 Å²	62	63.8 Å²	63.8	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-49.6	176.1	-80.3	-67.8	0	0	0	112.3	S470 I473 L474 M477 E696 V697 Y698 M702 H703 I704	S470-Y700 PolarHBondContact OG-OH 3.49Å; I473-Y700 HydrophobicContact CG2-CE1 3.85Å; L474-Y700 HydrophobicContact CD1-CD1 3.86Å; L474-Y700 HydrophobicContact CD1-CE1 3.35Å; L474-Y700 HydrophobicContact CD1-CE2 4.43Å; L474-Y700 HydrophobicContact CG-CE1 4.45Å; M477-Y700 HydrophobicContact CE-CD1 3.67Å; M477-Y700 HydrophobicContact CE-CE1 4.19Å; E696-Y700 WeakPolarHBondContact O-CD2 3.33Å; E696-Y700 PolarHBondContact O-N 3.35Å; E696-Y700 VanDerWaalsContact O-N 3.07Å; V697-Y700 PolarHBondContact O-N 3.08Å; Y698-Y700 PolarHBondContact O-N 2.62Å; Y700-M702 PolarHBondContact O-N 2.81Å; Y700-H703 PolarHBondContact O-N 2.86Å; Y700-I704 WeakPolarHBondContact O-CB 3.33Å; Y700-I704 WeakPolarHBondContact O-CD1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.34Å; Y700-I704 PolarHBondContact O-N 2.83Å
701	V	88.4	Confident	86.7	Confident	67 Å²	67	56.2 Å²	56.2	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-45.4	-178.6	171.8	0	0	0	0	111	V697 Y698 I704 L705	V697-V701 HydrophobicContact CG1-CG2 4.35Å; V697-V701 WeakPolarHBondContact O-CG2 3.42Å; V697-V701 PolarHBondContact O-N 2.9Å; Y698-V701 PolarHBondContact O-N 2.9Å; V701-I704 PolarHBondContact O-N 3.43Å; V701-L705 HydrophobicContact CG1-CD1 4.02Å; V701-L705 HydrophobicContact CG1-CG 4.48Å; V701-L705 WeakPolarHBondContact O-CG 3.42Å; V701-L705 PolarHBondContact O-N 3.01Å
702	M	87.8	Confident	87.2	Confident	21 Å²	21	53.6 Å²	53.6	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-40.7	179.5	-69.8	-58.7	155.9	0	0	112.5	F685 Y698 E699 Y700 L705 M706	F685-M702 HydrophobicContact CB-CE 3.36Å; F685-M702 HydrophobicContact CD2-CE 3.69Å; F685-M702 HydrophobicContact CG-CE 3.76Å; Y698-M702 HydrophobicContact CD1-CG 4.32Å; Y698-M702 HydrophobicContact CD2-CE 4.18Å; Y698-M702 HydrophobicContact CD2-CG 4.29Å; Y698-M702 HydrophobicContact CE1-CG 3.95Å; Y698-M702 HydrophobicContact CE2-CE 3.72Å; Y698-M702 HydrophobicContact CE2-CG 3.93Å; Y698-M702 HydrophobicContact CG-CG 4.48Å; Y698-M702 WeakPolarHBondContact O-CB 3.47Å; Y698-M702 WeakPolarHBondContact O-CG 3.38Å; Y698-M702 PolarHBondContact O-N 2.79Å; E699-M702 PolarHBondContact O-N 2.99Å; Y700-M702 PolarHBondContact O-N 2.81Å; M702-L705 PolarHBondContact O-N 2.74Å; M702-M706 VanDerWaalsContact O-CB 3.25Å; M702-M706 WeakPolarHBondContact O-CB 3.39Å; M702-M706 PolarHBondContact O-N 2.8Å
703	H	88	Confident	88.1	Confident	55 Å²	55	47.6 Å²	47.6	26%	0.255	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-42.6	175.5	-80.4	74	0	0	0	111.6	E699 Y700 M706 H707	E699-H703 WeakPolarHBondContact O-CB 3.3Å; E699-H703 PolarHBondContact O-N 2.8Å; E699-H703 PolarHBondContact O-ND1 3.18Å; Y700-H703 PolarHBondContact O-N 2.86Å; H703-M706 PolarHBondContact O-N 2.83Å; H703-H707 AromaticContact CD2-NE2 3.36Å; H703-H707 PolarHBondContact CD2-NE2 3.01Å; H703-H707 WeakPolarHBondContact O-CB 3.39Å; H703-H707 PolarHBondContact O-CD2 2.03Å; H703-H707 PolarHBondContact O-N 3.36Å
704	I	89.8	Confident	88.8	Confident	73 Å²	73	41.2 Å²	41.2	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-50	175.3	-68.8	164.2	0	0	0	110.1	M477 Y700 V701 M706 Y708	M477-I704 HydrophobicContact CE-CD1 4.02Å; M477-I704 HydrophobicContact CE-CG1 3.71Å; M477-I704 HydrophobicContact SD-CG1 4.29Å; Y700-I704 WeakPolarHBondContact O-CB 3.33Å; Y700-I704 WeakPolarHBondContact O-CD1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.34Å; Y700-I704 PolarHBondContact O-N 2.83Å; V701-I704 PolarHBondContact O-N 3.43Å; I704-M706 VanDerWaalsContact C-N 3.29Å; I704-M706 PolarHBondContact O-N 2.84Å; I704-Y708 HydrophobicContact CG2-CD2 4.13Å; I704-Y708 VanDerWaalsContact O-CB 3.29Å; I704-Y708 WeakPolarHBondContact O-CB 3.26Å; I704-Y708 VanDerWaalsContact O-CD2 3.23Å; I704-Y708 WeakPolarHBondContact O-CD2 3.12Å; I704-Y708 PolarHBondContact O-N 2.7Å
705	L	87.5	Confident	89.1	Confident	55 Å²	55	40.9 Å²	40.9	29%	0.288	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-37.7	-179.8	-70.6	174.8	0	0	0	112.4	Q681 V701 M702 Q709	Q681-L705 HydrophobicContact CB-CD1 4.43Å; V701-L705 HydrophobicContact CG1-CD1 4.02Å; V701-L705 HydrophobicContact CG1-CG 4.48Å; V701-L705 WeakPolarHBondContact O-CG 3.42Å; V701-L705 PolarHBondContact O-N 3.01Å; M702-L705 PolarHBondContact O-N 2.74Å; L705-Q709 WeakPolarHBondContact O-CB 3.24Å; L705-Q709 PolarHBondContact O-N 2.84Å
706	M	88.1	Confident	89.3	Confident	59 Å²	59	43 Å²	43	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-71.9	-52.2	-179.8	-179.1	164.4	64	0	0	112.5	F682 M702 H703 I704 Q709	F682-M706 HydrophobicContact CE1-CB 4.47Å; F682-M706 HydrophobicContact CE1-CG 4.47Å; F682-M706 HydrophobicContact CE1-SD 3.83Å; F682-M706 HydrophobicContact CZ-CB 3.96Å; F682-M706 HydrophobicContact CZ-CG 3.8Å; F682-M706 HydrophobicContact CZ-SD 3.6Å; F682-M706 VanDerWaalsContact CZ-SD 3.6Å; M702-M706 VanDerWaalsContact O-CB 3.25Å; M702-M706 WeakPolarHBondContact O-CB 3.39Å; M702-M706 PolarHBondContact O-N 2.8Å; H703-M706 PolarHBondContact O-N 2.83Å; I704-M706 VanDerWaalsContact C-N 3.29Å; I704-M706 PolarHBondContact O-N 2.84Å; M706-Q709 WeakPolarHBondContact O-CB 3.49Å; M706-Q709 PolarHBondContact O-N 3.04Å
707	H	91.4	Very high	89.4	Confident	16 Å²	16	42 Å²	42	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-74.4	-28.9	-174.4	-61.1	-54	0	0	0	113	A478 G481 H482 H703	A478-H707 WeakPolarHBondContact CB-NE2 3.08Å; G481-H707 CarbonylContact C-O 3.51Å; H482-H707 AromaticContact CD2-ND1 3.41Å; H482-H707 PolarHBondContact CD2-ND1 3.02Å; H482-H707 AromaticContact CE1-ND1 3.83Å; H482-H707 AromaticContact NE2-CE1 3.71Å; H482-H707 AromaticContact NE2-CG 3.87Å; H482-H707 AromaticContact NE2-ND1 2.87Å; H482-H707 PolarHBondContact NE2-ND1 2.89Å; H703-H707 AromaticContact CD2-NE2 3.36Å; H703-H707 PolarHBondContact CD2-NE2 3.01Å; H703-H707 WeakPolarHBondContact O-CB 3.39Å; H703-H707 PolarHBondContact O-CD2 2.03Å; H703-H707 PolarHBondContact O-N 3.36Å
708	Y	91.7	Very high	89.6	Confident	55 Å²	55	38 Å²	38	22%	0.216	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.9	177.1	-66.6	-101.8	0	0	0	113.1	L484 I704 G710 L711 L712	L484-Y708 HydrophobicContact CD1-CE1 4.12Å; I704-Y708 HydrophobicContact CG2-CD2 4.13Å; I704-Y708 VanDerWaalsContact O-CB 3.29Å; I704-Y708 WeakPolarHBondContact O-CB 3.26Å; I704-Y708 VanDerWaalsContact O-CD2 3.23Å; I704-Y708 WeakPolarHBondContact O-CD2 3.12Å; I704-Y708 PolarHBondContact O-N 2.7Å; Y708-G710 PolarHBondContact O-N 3.09Å; Y708-L711 HydrophobicContact CD1-CD2 3.86Å; Y708-L711 WeakPolarHBondContact O-CB 2.99Å; Y708-L711 PolarHBondContact O-N 3.46Å; Y708-L711 VanDerWaalsContact O-N 3.14Å; Y708-L712 WeakPolarHBondContact O-CG 3.35Å; Y708-L712 PolarHBondContact O-N 2.87Å
709	Q	91.9	Very high	89.6	Confident	5 Å²	5	39.1 Å²	39.1	2%	0.023	19%	0.192	C	C	.	.	H	α-helix	trans	-55.6	-48.2	-177.9	-166.6	178.1	-4.9	0	0	112	Y517 M563 P676 Q681 L705 M706 L711 L712 V713	Y517-Q709 HydrophobicContact CE1-CB 4.4Å; Y517-Q709 HydrophobicContact CE1-CG 4.24Å; Y517-Q709 VanDerWaalsContact OH-CD 3.25Å; Y517-Q709 PolarHBondContact OH-NE2 3.13Å; M563-Q709 PolarHBondContact SD-NE2 2.95Å; P676-Q709 WeakPolarHBondContact O-CG 3.43Å; P676-Q709 PolarHBondContact O-NE2 3.42Å; Q681-Q709 VanDerWaalsContact NE2-CD 3.34Å; L705-Q709 WeakPolarHBondContact O-CB 3.24Å; L705-Q709 PolarHBondContact O-N 2.84Å; M706-Q709 WeakPolarHBondContact O-CB 3.49Å; M706-Q709 PolarHBondContact O-N 3.04Å; Q709-L711 VanDerWaalsContact C-N 3.33Å; Q709-L711 PolarHBondContact O-N 3.4Å; Q709-L712 WeakPolarHBondContact O-CB 3.46Å; Q709-L712 PolarHBondContact O-N 2.89Å; Q709-V713 HydrophobicContact CG-CG2 4.45Å; Q709-V713 WeakPolarHBondContact O-CG2 3.18Å; Q709-V713 PolarHBondContact O-N 3.35Å
710	G	93	Very high	89.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-33.1	179.7	0	0	0	0	0	113.6	S485 Y708 V713 A714	S485-G710 VanDerWaalsContact OG-C 3.31Å; S485-G710 VanDerWaalsContact OG-CA 3.23Å; S485-G710 WeakPolarHBondContact OG-CA 2.99Å; Y708-G710 PolarHBondContact O-N 3.09Å; G710-V713 PolarHBondContact O-N 2.92Å; G710-A714 WeakPolarHBondContact O-CB 3.12Å; G710-A714 PolarHBondContact O-N 3.39Å
711	L	93.5	Very high	89.8	Confident	44 Å²	44	42.7 Å²	42.7	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-45.1	172.3	175.5	67	0	0	0	111.2	S485 S488 Y708 Q709 A714 T715	S485-L711 PolarHBondContact OG-N 3.1Å; S488-L711 VanDerWaalsContact OG-CD1 3.26Å; S488-L711 WeakPolarHBondContact OG-CD1 3.45Å; Y708-L711 HydrophobicContact CD1-CD2 3.86Å; Y708-L711 WeakPolarHBondContact O-CB 2.99Å; Y708-L711 PolarHBondContact O-N 3.46Å; Y708-L711 VanDerWaalsContact O-N 3.14Å; Q709-L711 VanDerWaalsContact C-N 3.33Å; Q709-L711 PolarHBondContact O-N 3.4Å; L711-A714 PolarHBondContact O-N 3.1Å; L711-T715 WeakPolarHBondContact O-CB 3.16Å; L711-T715 PolarHBondContact O-N 3.42Å; L711-T715 PolarHBondContact O-OG1 3.19Å
712	L	90.9	Very high	89.7	Confident	66 Å²	66	41.8 Å²	41.8	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-47.1	176.2	-66.5	175.6	0	0	0	110.5	P676 Y708 Q709 A714 T715 I716	P676-L712 HydrophobicContact CB-CD1 4.25Å; P676-L712 HydrophobicContact CG-CD1 4.48Å; Y708-L712 WeakPolarHBondContact O-CG 3.35Å; Y708-L712 PolarHBondContact O-N 2.87Å; Q709-L712 WeakPolarHBondContact O-CB 3.46Å; Q709-L712 PolarHBondContact O-N 2.89Å; L712-A714 PolarHBondContact O-N 3.24Å; L712-T715 PolarHBondContact O-N 2.86Å; L712-I716 HydrophobicContact CB-CD1 4.48Å; L712-I716 VanDerWaalsContact O-CD1 3.28Å; L712-I716 WeakPolarHBondContact O-CD1 3.36Å; L712-I716 VanDerWaalsContact O-CG1 3.25Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 3.08Å
713	V	91.1	Very high	89.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.5	-50.2	177.4	174.3	0	0	0	0	111.2	F514 Y517 L677 Q709 G710 T715 I716 F717	F514-V713 HydrophobicContact CD1-CG1 4.02Å; F514-V713 HydrophobicContact CE1-CG1 3.45Å; F514-V713 VanDerWaalsContact CE1-CG1 3.45Å; F514-V713 HydrophobicContact CZ-CG1 4.29Å; Y517-V713 HydrophobicContact CE2-CG1 4.4Å; Y517-V713 HydrophobicContact CE2-CG2 4.08Å; L677-V713 HydrophobicContact CD2-CB 3.77Å; L677-V713 HydrophobicContact CD2-CG1 3.84Å; L677-V713 HydrophobicContact CD2-CG2 3.43Å; L677-V713 VanDerWaalsContact CD2-CG2 3.43Å; Q709-V713 HydrophobicContact CG-CG2 4.45Å; Q709-V713 WeakPolarHBondContact O-CG2 3.18Å; Q709-V713 PolarHBondContact O-N 3.35Å; G710-V713 PolarHBondContact O-N 2.92Å; V713-T715 PolarHBondContact O-N 3.09Å; V713-I716 PolarHBondContact O-N 3.31Å; V713-F717 HydrophobicContact CG1-CD2 3.93Å; V713-F717 HydrophobicContact CG1-CE2 4.41Å; V713-F717 PolarHBondContact O-N 2.92Å
714	A	92.7	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-43.8	178	0	0	0	0	0	112.1	L489 G710 L711 L712 I716 C718 F719	L489-A714 HydrophobicContact CD2-CB 3.9Å; L489-A714 HydrophobicContact CG-CB 4.21Å; G710-A714 WeakPolarHBondContact O-CB 3.12Å; G710-A714 PolarHBondContact O-N 3.39Å; L711-A714 PolarHBondContact O-N 3.1Å; L712-A714 PolarHBondContact O-N 3.24Å; A714-I716 PolarHBondContact O-N 2.95Å; A714-C718 WeakPolarHBondContact O-CA 3.12Å; A714-C718 VanDerWaalsContact O-CB 3.26Å; A714-C718 WeakPolarHBondContact O-CB 3Å; A714-C718 PolarHBondContact O-N 3.33Å; A714-F719 HydrophobicContact CB-CE2 4.49Å; A714-F719 WeakPolarHBondContact O-CD2 3.35Å; A714-F719 PolarHBondContact O-N 3.11Å
715	T	90.4	Very high	89.8	Confident	35 Å²	35	44.6 Å²	44.6	22%	0.215	23%	0.226	C	C	.	.	I	π-helix	trans	-60.2	-46.2	179.5	-56.5	0	0	0	0	111.6	L711 L712 V713 F719 F720	L711-T715 WeakPolarHBondContact O-CB 3.16Å; L711-T715 PolarHBondContact O-N 3.42Å; L711-T715 PolarHBondContact O-OG1 3.19Å; L712-T715 PolarHBondContact O-N 2.86Å; V713-T715 PolarHBondContact O-N 3.09Å; T715-F719 CarbonylContact O-C 3.56Å; T715-F719 PolarHBondContact O-N 2.9Å; T715-F720 HydrophobicContact CG2-CD1 4.34Å; T715-F720 HydrophobicContact CG2-CD2 4.02Å; T715-F720 HydrophobicContact CG2-CE1 4.01Å; T715-F720 HydrophobicContact CG2-CE2 3.66Å; T715-F720 HydrophobicContact CG2-CG 4.34Å; T715-F720 HydrophobicContact CG2-CZ 3.65Å; T715-F720 WeakPolarHBondContact O-CB 3.37Å; T715-F720 PolarHBondContact O-N 2.86Å
716	I	88.1	Confident	89.9	Confident	44 Å²	44	43.8 Å²	43.8	23%	0.226	23%	0.227	C	C	.	.	I	π-helix	trans	-72.9	-51.9	-176	-62.5	154.7	0	0	0	111.3	I673 L677 L712 V713 A714	I673-I716 HydrophobicContact CG2-CB 4.48Å; I673-I716 HydrophobicContact CG2-CD1 3.32Å; I673-I716 HydrophobicContact CG2-CG1 3.66Å; I673-I716 HydrophobicContact CG2-CG2 3.97Å; L677-I716 HydrophobicContact CD1-CD1 4.26Å; L677-I716 HydrophobicContact CD1-CG2 4.17Å; L677-I716 HydrophobicContact CD2-CD1 4.43Å; L677-I716 HydrophobicContact CG-CD1 4.31Å; L712-I716 HydrophobicContact CB-CD1 4.48Å; L712-I716 VanDerWaalsContact O-CD1 3.28Å; L712-I716 WeakPolarHBondContact O-CD1 3.36Å; L712-I716 VanDerWaalsContact O-CG1 3.25Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 3.08Å; V713-I716 PolarHBondContact O-N 3.31Å; A714-I716 PolarHBondContact O-N 2.95Å
717	F	85	Confident	90	Very high	37 Å²	37	41.8 Å²	41.8	16%	0.162	22%	0.22	C	C	.	.	I	π-helix	trans	-82.7	-25.2	-170.9	-77.9	-54	0	0	0	114.5	H510 F514 E566 L677 V713 N721	H510-F717 AromaticContact CE1-CE1 3.73Å; H510-F717 AromaticContact CE1-CZ 3.72Å; F514-F717 HydrophobicContact CE1-CB 4.49Å; F514-F717 HydrophobicContact CE1-CD2 4.32Å; F514-F717 HydrophobicContact CZ-CB 3.87Å; E566-F717 WeakPolarHBondContact OE1-CE2 3.11Å; E566-F717 WeakPolarHBondContact OE1-CZ 3.13Å; L677-F717 HydrophobicContact CD1-CD2 4.37Å; L677-F717 HydrophobicContact CD1-CE1 4.33Å; L677-F717 HydrophobicContact CD1-CE2 3.65Å; L677-F717 HydrophobicContact CD1-CZ 3.61Å; L677-F717 HydrophobicContact CD2-CD2 3.7Å; L677-F717 HydrophobicContact CD2-CE2 3.28Å; L677-F717 HydrophobicContact CD2-CZ 4.13Å; L677-F717 HydrophobicContact CG-CE2 3.98Å; L677-F717 HydrophobicContact CG-CZ 4.37Å; V713-F717 HydrophobicContact CG1-CD2 3.93Å; V713-F717 HydrophobicContact CG1-CE2 4.41Å; V713-F717 PolarHBondContact O-N 2.92Å; F717-N721 VanDerWaalsContact O-CB 3.25Å; F717-N721 WeakPolarHBondContact O-CB 3.37Å; F717-N721 PolarHBondContact O-ND2 2.92Å
718	C	90	Very high	89.9	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.007	23%	0.234	C	C	.	.	I	π-helix	trans	-107.5	-62.6	179.4	-173.1	0	0	0	0	111.6	S492 F496 A714 N721 V724	S492-C718 WeakPolarHBondContact OG-CB 3.29Å; F496-C718 HydrophobicContact CE2-CB 4.05Å; F496-C718 HydrophobicContact CZ-CB 4Å; A714-C718 WeakPolarHBondContact O-CA 3.12Å; A714-C718 VanDerWaalsContact O-CB 3.26Å; A714-C718 WeakPolarHBondContact O-CB 3Å; A714-C718 PolarHBondContact O-N 3.33Å; C718-N721 PolarHBondContact O-N 3.45Å; C718-V724 WeakPolarHBondContact O-CB 3.37Å
719	F	89.6	Confident	89.8	Confident	74 Å²	74	48.5 Å²	48.5	33%	0.325	25%	0.253	S	S	.	.	I	π-helix	trans	-72	-35.7	-169.7	-65.8	-76.4	0	0	0	114	I491 S492 A714 T715 Q725	I491-F719 HydrophobicContact CB-CZ 4.32Å; I491-F719 HydrophobicContact CG2-CE1 4.16Å; I491-F719 HydrophobicContact CG2-CZ 3.83Å; S492-F719 WeakPolarHBondContact OG-CE2 3.42Å; A714-F719 HydrophobicContact CB-CE2 4.49Å; A714-F719 WeakPolarHBondContact O-CD2 3.35Å; A714-F719 PolarHBondContact O-N 3.11Å; T715-F719 CarbonylContact O-C 3.56Å; T715-F719 PolarHBondContact O-N 2.9Å; F719-Q725 WeakPolarHBondContact O-CG 3.01Å; F719-Q725 PolarHBondContact O-NE2 3.23Å
720	F	88.4	Confident	89.7	Confident	146 Å²	146	56.8 Å²	56.8	64%	0.64	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.9	177.9	-67.3	-9.6	0	0	0	113.8	T715 G722	T715-F720 HydrophobicContact CG2-CD1 4.34Å; T715-F720 HydrophobicContact CG2-CD2 4.02Å; T715-F720 HydrophobicContact CG2-CE1 4.01Å; T715-F720 HydrophobicContact CG2-CE2 3.66Å; T715-F720 HydrophobicContact CG2-CG 4.34Å; T715-F720 HydrophobicContact CG2-CZ 3.65Å; T715-F720 WeakPolarHBondContact O-CB 3.37Å; T715-F720 PolarHBondContact O-N 2.86Å; F720-G722 PolarHBondContact O-N 3.4Å
721	N	87.8	Confident	89.4	Confident	43 Å²	43	60 Å²	60	23%	0.23	30%	0.299	C	S	.	.			trans	-77.4	118.7	177.6	-172.9	-20.6	0	0	0	110.8	F717 C718 E723 V724 Q725	F717-N721 VanDerWaalsContact O-CB 3.25Å; F717-N721 WeakPolarHBondContact O-CB 3.37Å; F717-N721 PolarHBondContact O-ND2 2.92Å; C718-N721 PolarHBondContact O-N 3.45Å; N721-E723 VanDerWaalsContact C-N 3.26Å; N721-E723 PolarHBondContact O-N 3.49Å; N721-E723 PolarHBondContact OD1-N 2.93Å; N721-E723 VanDerWaalsContact OD1-N 3.09Å; N721-V724 HydrophobicContact CB-CB 4.22Å; N721-V724 HydrophobicContact CB-CG2 3.9Å; N721-V724 PolarHBondContact O-N 2.97Å; N721-V724 VanDerWaalsContact O-N 3.17Å; N721-Q725 WeakPolarHBondContact O-CG 3.42Å; N721-Q725 PolarHBondContact O-N 3.15Å
722	G	86.9	Confident	89.3	Confident	47 Å²	47	66.2 Å²	66.2	49%	0.485	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-32.7	-177.9	0	0	0	0	0	113.9	F720 A726	F720-G722 PolarHBondContact O-N 3.4Å; G722-A726 VanDerWaalsContact O-CB 3.26Å; G722-A726 WeakPolarHBondContact O-CB 3.31Å; G722-A726 PolarHBondContact O-N 2.79Å
723	E	87.9	Confident	89.3	Confident	131 Å²	131	68.8 Å²	68.8	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-67.6	-44.4	177	-63.8	-177.2	170.5	0	0	111.3	L502 N721 A726 A727	L502-E723 HydrophobicContact CD2-CB 4.43Å; N721-E723 VanDerWaalsContact C-N 3.26Å; N721-E723 PolarHBondContact O-N 3.49Å; N721-E723 PolarHBondContact OD1-N 2.93Å; N721-E723 VanDerWaalsContact OD1-N 3.09Å; E723-A726 PolarHBondContact O-N 2.83Å; E723-A727 WeakPolarHBondContact O-CB 3.39Å; E723-A727 PolarHBondContact O-N 3.14Å
724	V	89.9	Confident	89.1	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-45.2	177.7	-178.7	0	0	0	0	110.2	I495 F496 L502 C718 N721 A726 A727 L728	I495-V724 HydrophobicContact CG2-CG1 3.81Å; F496-V724 HydrophobicContact CE1-CG2 3.68Å; F496-V724 HydrophobicContact CZ-CG2 4.27Å; L502-V724 HydrophobicContact CD1-CG2 4.2Å; C718-V724 WeakPolarHBondContact O-CB 3.37Å; N721-V724 HydrophobicContact CB-CB 4.22Å; N721-V724 HydrophobicContact CB-CG2 3.9Å; N721-V724 PolarHBondContact O-N 2.97Å; N721-V724 VanDerWaalsContact O-N 3.17Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.26Å; V724-A727 PolarHBondContact O-N 2.94Å; V724-L728 HydrophobicContact CG1-CD1 4.03Å; V724-L728 WeakPolarHBondContact O-CB 3.47Å; V724-L728 HydrophobicContact CG1-CG 4.43Å; V724-L728 PolarHBondContact O-N 2.92Å; V724-L728 WeakPolarHBondContact O-CG 3.03Å
725	Q	89.8	Confident	89	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-41.7	175.7	-71.3	-176.6	1.3	0	0	111.9	F719 N721 K729	F719-Q725 WeakPolarHBondContact O-CG 3.01Å; F719-Q725 PolarHBondContact O-NE2 3.23Å; N721-Q725 WeakPolarHBondContact O-CG 3.42Å; N721-Q725 PolarHBondContact O-N 3.15Å; Q725-K729 WeakPolarHBondContact O-CB 3.42Å; Q725-K729 PolarHBondContact O-N 2.82Å; Q725-K729 WeakPolarHBondContact O-CG 3.34Å; Q725-K729 VanDerWaalsContact O-CG 3.26Å
726	A	90.4	Very high	89.1	Confident	37 Å²	37	85.1 Å²	85.1	31%	0.306	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-42.9	176.6	0	0	0	0	0	111.7	G722 E723 V724 K729 R730	G722-A726 VanDerWaalsContact O-CB 3.26Å; G722-A726 WeakPolarHBondContact O-CB 3.31Å; G722-A726 PolarHBondContact O-N 2.79Å; E723-A726 PolarHBondContact O-N 2.83Å; V724-A726 VanDerWaalsContact C-N 3.31Å; V724-A726 PolarHBondContact O-N 3.26Å; A726-K729 PolarHBondContact O-N 3.29Å; A726-R730 VanDerWaalsContact O-CG 3.27Å; A726-R730 WeakPolarHBondContact O-CG 3.23Å; A726-R730 PolarHBondContact O-N 2.97Å
727	A	89.1	Confident	89.1	Confident	17 Å²	17	87.1 Å²	87.1	14%	0.14	41%	0.412	C	S	.	.	H	α-helix	trans	-62.2	-45.9	176.6	0	0	0	0	0	112.1	L502 E723 V724 R730 Q731	L502-A727 HydrophobicContact CD1-CB 3.98Å; L502-A727 HydrophobicContact CD2-CB 4.44Å; E723-A727 WeakPolarHBondContact O-CB 3.39Å; E723-A727 PolarHBondContact O-N 3.14Å; V724-A727 PolarHBondContact O-N 2.94Å; A727-R730 PolarHBondContact O-N 3.37Å; A727-Q731 PolarHBondContact O-N 3.46Å
728	L	88.8	Confident	89.1	Confident	70 Å²	70	91 Å²	91	37%	0.366	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-44.4	175.8	-75.1	172.2	0	0	0	111.8	I495 F499 V724 R730 Q731 W732	I495-L728 HydrophobicContact CD1-CD1 4.41Å; F499-L728 HydrophobicContact CE2-CD2 3.69Å; F499-L728 HydrophobicContact CE2-CG 4.33Å; F499-L728 HydrophobicContact CZ-CD2 4.06Å; V724-L728 HydrophobicContact CG1-CD1 4.03Å; V724-L728 WeakPolarHBondContact O-CB 3.47Å; V724-L728 HydrophobicContact CG1-CG 4.43Å; V724-L728 PolarHBondContact O-N 2.92Å; V724-L728 WeakPolarHBondContact O-CG 3.03Å; L728-R730 VanDerWaalsContact C-N 3.34Å; L728-R730 PolarHBondContact O-N 2.88Å; L728-Q731 PolarHBondContact O-N 2.91Å; L728-W732 WeakPolarHBondContact O-CB 3.23Å; L728-W732 PolarHBondContact O-N 2.74Å
729	K	90.6	Very high	88.6	Confident	143 Å²	143	96.8 Å²	96.8	62%	0.622	45%	0.452	S	S	*	.	H	α-helix	trans	-60.2	-43	175.2	-78.1	175.3	-178.8	178	0	111.7	Q725 A726 W732 M733	Q725-K729 WeakPolarHBondContact O-CB 3.42Å; Q725-K729 PolarHBondContact O-N 2.82Å; Q725-K729 WeakPolarHBondContact O-CG 3.34Å; Q725-K729 VanDerWaalsContact O-CG 3.26Å; A726-K729 PolarHBondContact O-N 3.29Å; K729-W732 PolarHBondContact O-N 3.3Å; K729-M733 PolarHBondContact O-N 2.01Å; K729-M733 VanDerWaalsContact O-CG 3.27Å; K729-M733 WeakPolarHBondContact O-CG 3.06Å
730	R	89.5	Confident	88	Confident	178 Å²	178	95 Å²	95	67%	0.672	46%	0.455	S	S	*	.	H	α-helix	trans	-61.6	-46.2	177.2	-73.6	174.3	-169.6	-179.9	4.6	111.6	A726 A727 L728 M733 Q734	A726-R730 VanDerWaalsContact O-CG 3.27Å; A726-R730 WeakPolarHBondContact O-CG 3.23Å; A726-R730 PolarHBondContact O-N 2.97Å; A727-R730 PolarHBondContact O-N 3.37Å; L728-R730 VanDerWaalsContact C-N 3.34Å; L728-R730 PolarHBondContact O-N 2.88Å; R730-M733 PolarHBondContact O-N 3.3Å; R730-Q734 WeakPolarHBondContact O-CG 3.04Å; R730-Q734 PolarHBondContact O-N 3.07Å
731	Q	87.9	Confident	87	Confident	69 Å²	69	93.5 Å²	93.5	32%	0.322	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.8	-75.2	-54.6	-45.1	0	0	112.7	F499 A727 L728 M733 Q734 Y735	F499-Q731 HydrophobicContact CE1-CG 3.36Å; F499-Q731 HydrophobicContact CZ-CB 4.35Å; F499-Q731 HydrophobicContact CZ-CG 3.6Å; A727-Q731 PolarHBondContact O-N 3.46Å; L728-Q731 PolarHBondContact O-N 2.91Å; Q731-M733 VanDerWaalsContact C-N 3.3Å; Q731-M733 PolarHBondContact O-N 3.27Å; Q731-Q734 VanDerWaalsContact NE2-OE1 3.12Å; Q731-Q734 PolarHBondContact O-N 3.35Å; Q731-Y735 PolarHBondContact O-N 3.25Å; Q731-Y735 WeakPolarHBondContact O-CB 3.49Å
732	W	89.7	Confident	85.7	Confident	175 Å²	175	99.9 Å²	99.9	66%	0.663	47%	0.471	S	S	*	.	H	α-helix	trans	-59.4	-42.9	176.5	-178.9	-94.2	0	0	0	111.7	L728 K729 Y735 K736	L728-W732 WeakPolarHBondContact O-CB 3.23Å; L728-W732 PolarHBondContact O-N 2.74Å; K729-W732 PolarHBondContact O-N 3.3Å; W732-Y735 PolarHBondContact O-N 3.29Å; W732-K736 VanDerWaalsContact O-CB 3.3Å; W732-K736 WeakPolarHBondContact O-CB 3.26Å; W732-K736 PolarHBondContact O-N 2.75Å
733	M	91	Very high	84.3	Confident	119 Å²	119	105.7 Å²	105.7	59%	0.586	48%	0.478	S	S	*	.	H	α-helix	trans	-65	-42.4	175.7	-68.6	-58.7	-129	0	0	111.9	K729 R730 Q731 K736 T737	K729-M733 PolarHBondContact O-N 2.01Å; K729-M733 VanDerWaalsContact O-CG 3.27Å; K729-M733 WeakPolarHBondContact O-CG 3.06Å; R730-M733 PolarHBondContact O-N 3.3Å; Q731-M733 VanDerWaalsContact C-N 3.3Å; Q731-M733 PolarHBondContact O-N 3.27Å; M733-K736 PolarHBondContact O-N 3.25Å; M733-T737 PolarHBondContact O-N 3.04Å; M733-T737 PolarHBondContact O-OG1 3.16Å
734	Q	88.6	Confident	82.8	Confident	102 Å²	102	107.3 Å²	107.3	48%	0.477	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-45	175.4	-72.6	175	-6.3	0	0	112.1	R730 Q731 T737 Q738	R730-Q734 WeakPolarHBondContact O-CG 3.04Å; R730-Q734 PolarHBondContact O-N 3.07Å; Q731-Q734 VanDerWaalsContact NE2-OE1 3.12Å; Q731-Q734 PolarHBondContact O-N 3.35Å; Q734-T737 PolarHBondContact O-N 2.8Å; Q734-Q738 WeakPolarHBondContact O-CG 3.48Å; Q734-Q738 PolarHBondContact O-N 3.37Å
735	Y	90.3	Very high	81.1	Confident	138 Å²	138	112 Å²	112	54%	0.541	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-44	176.1	-177.5	-101.2	0	0	0	111.6	Q731 W732 T737 Q738 W739	Q731-Y735 PolarHBondContact O-N 3.25Å; Q731-Y735 WeakPolarHBondContact O-CB 3.49Å; W732-Y735 PolarHBondContact O-N 3.29Å; Y735-T737 VanDerWaalsContact C-N 3.34Å; Y735-T737 PolarHBondContact O-N 2.87Å; Y735-Q738 PolarHBondContact O-N 3.24Å; Y735-W739 VanDerWaalsContact O-CB 3.3Å; Y735-W739 WeakPolarHBondContact O-CB 3.33Å; Y735-W739 PolarHBondContact O-N 3.16Å
736	K	92.3	Very high	79.2	Confident	138 Å²	138	116.3 Å²	116.3	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-60	-42.4	176	-173.4	-178.6	-178.9	-174.2	0	111.8	W732 M733 G740	W732-K736 VanDerWaalsContact O-CB 3.3Å; W732-K736 WeakPolarHBondContact O-CB 3.26Å; W732-K736 PolarHBondContact O-N 2.75Å; M733-K736 PolarHBondContact O-N 3.25Å; K736-G740 PolarHBondContact O-N 2.89Å
737	T	87.9	Confident	77.3	Confident	86 Å²	86	119.5 Å²	119.5	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-47.5	176.6	-55.2	0	0	0	0	111.5	M733 Q734 Y735 W739 G740 Q741	M733-T737 PolarHBondContact O-N 3.04Å; M733-T737 PolarHBondContact O-OG1 3.16Å; Q734-T737 PolarHBondContact O-N 2.8Å; Y735-T737 VanDerWaalsContact C-N 3.34Å; Y735-T737 PolarHBondContact O-N 2.87Å; T737-W739 VanDerWaalsContact C-N 3.32Å; T737-W739 PolarHBondContact O-N 2.98Å; T737-G740 PolarHBondContact O-N 2.65Å; T737-Q741 PolarHBondContact O-N 2.79Å; T737-Q741 PolarHBondContact O-OE1 3.37Å
738	Q	85.8	Confident	75.5	Confident	118 Å²	118	122.3 Å²	122.3	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-61.4	-40	177.6	-72.1	177.5	4.2	0	0	112.5	Q734 Y735 Q741 R742	Q734-Q738 WeakPolarHBondContact O-CG 3.48Å; Q734-Q738 PolarHBondContact O-N 3.37Å; Y735-Q738 PolarHBondContact O-N 3.24Å; Q738-Q741 PolarHBondContact O-N 3.08Å; Q738-R742 PolarHBondContact O-N 3.39Å
739	W	78.6	Confident	73.4	Confident	123 Å²	123	127.4 Å²	127.4	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-70.3	-35.5	176.9	-159.6	80.4	0	0	0	112	Y735 T737 R742 R743	Y735-W739 VanDerWaalsContact O-CB 3.3Å; Y735-W739 WeakPolarHBondContact O-CB 3.33Å; Y735-W739 PolarHBondContact O-N 3.16Å; T737-W739 VanDerWaalsContact C-N 3.32Å; T737-W739 PolarHBondContact O-N 2.98Å; W739-R742 PolarHBondContact O-N 2.87Å; W739-R743 VanDerWaalsContact CH2-CZ 3.43Å; W739-R743 PolarHBondContact O-N 3.04Å; W739-R743 VanDerWaalsContact O-N 3.16Å
740	G	76.4	Confident	71.1	Confident	36 Å²	36	131.6 Å²	131.6	37%	0.371	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-40	170.5	0	0	0	0	0	113.3	K736 T737 R743 K744	K736-G740 PolarHBondContact O-N 2.89Å; T737-G740 PolarHBondContact O-N 2.65Å; G740-R743 PolarHBondContact O-N 3.41Å; G740-K744 PolarHBondContact O-N 3.05Å
741	Q	68	Low	69.2	Low	116 Å²	116	127.5 Å²	127.5	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-62.9	-49.3	173.9	-123.3	98.4	-2.6	0	0	111.5	T737 Q738 R743 K744 D745	T737-Q741 PolarHBondContact O-N 2.79Å; T737-Q741 PolarHBondContact O-OE1 3.37Å; Q738-Q741 PolarHBondContact O-N 3.08Å; Q741-R743 PolarHBondContact O-N 3.22Å; Q741-K744 WeakPolarHBondContact O-CB 3.23Å; Q741-K744 PolarHBondContact O-N 3.37Å; Q741-D745 PolarHBondContact O-N 3.43Å
742	R	59.6	Low	67.2	Low	177 Å²	177	130.3 Å²	130.3	67%	0.668	62%	0.622	S	S	*	*	H	α-helix	trans	-58.9	-31.5	178.2	-74.7	-175.7	-178.7	175.4	1.6	113.4	Q738 W739 H746	Q738-R742 PolarHBondContact O-N 3.39Å; W739-R742 PolarHBondContact O-N 2.87Å; R742-H746 PolarHBondContact O-N 3.36Å
743	R	58.5	Low	65.1	Low	169 Å²	169	127 Å²	127	64%	0.638	63%	0.626	S	S	*	*	H	α-helix	trans	-73	-33.2	175.3	-131.3	-179.6	-160	170.7	4.7	112.8	W739 G740 Q741	W739-R743 VanDerWaalsContact CH2-CZ 3.43Å; W739-R743 PolarHBondContact O-N 3.04Å; W739-R743 VanDerWaalsContact O-N 3.16Å; G740-R743 PolarHBondContact O-N 3.41Å; Q741-R743 PolarHBondContact O-N 3.22Å
744	K	56.3	Low	62.7	Low	164 Å²	164	132 Å²	132	71%	0.713	64%	0.64	S	S	*	*	H	α-helix	trans	-70.7	-40.2	174.3	-93.2	-176.9	172.8	-178.6	0	112	G740 Q741 H746 C747 S748	G740-K744 PolarHBondContact O-N 3.05Å; Q741-K744 WeakPolarHBondContact O-CB 3.23Å; Q741-K744 PolarHBondContact O-N 3.37Å; K744-H746 VanDerWaalsContact C-N 3.31Å; K744-H746 PolarHBondContact O-N 2.83Å; K744-C747 VanDerWaalsContact O-N 3.11Å; K744-C747 PolarHBondContact O-N 2.78Å; K744-S748 PolarHBondContact O-N 2.89Å
745	D	53.5	Low	60.6	Low	102 Å²	102	134.1 Å²	134.1	55%	0.545	66%	0.66	S	S	.	*	H	α-helix	trans	-65.6	-34.7	179.1	-62.2	-26.7	0	0	0	112.1	Q741 C747 S748 M749	Q741-D745 PolarHBondContact O-N 3.43Å; D745-C747 VanDerWaalsContact C-N 3.29Å; D745-C747 PolarHBondContact O-N 3.28Å; D745-S748 PolarHBondContact O-N 2.02Å; D745-M749 PolarHBondContact O-N 3.27Å
746	H	51.1	Low	57.9	Low	166 Å²	166	132.4 Å²	132.4	77%	0.769	67%	0.674	S	S	*	*	H	α-helix	trans	-67.4	-23	173.5	-107.2	-75.2	0	0	0	114.4	R742 K744	R742-H746 PolarHBondContact O-N 3.36Å; K744-H746 VanDerWaalsContact C-N 3.31Å; K744-H746 PolarHBondContact O-N 2.83Å
747	C	50.4	Low	55.3	Low	103 Å²	103	132.3 Å²	132.3	70%	0.696	69%	0.686	S	S	*	*	H	α-helix	trans	-91.1	-25.7	173.2	-98.7	0	0	0	0	112.9	K744 D745 M749	K744-C747 VanDerWaalsContact O-N 3.11Å; K744-C747 PolarHBondContact O-N 2.78Å; D745-C747 VanDerWaalsContact C-N 3.29Å; D745-C747 PolarHBondContact O-N 3.28Å; C747-M749 VanDerWaalsContact C-N 3.32Å; C747-M749 PolarHBondContact O-N 3Å
748	S	49.9	Very low	53	Low	77 Å²	77	132.9 Å²	132.9	54%	0.538	69%	0.693	S	S	.	*	H	α-helix	trans	-72.7	-24	178.3	-162.9	0	0	0	0	113	K744 D745 R750 S751	K744-S748 PolarHBondContact O-N 2.89Å; D745-S748 PolarHBondContact O-N 2.02Å; S748-R750 PolarHBondContact O-N 2.84Å; S748-S751 PolarHBondContact O-N 3.09Å
749	M	44.6	Very low	50.7	Low	177 Å²	177	134.9 Å²	134.9	87%	0.872	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-1.2	178.3	-113.2	163.2	74.6	0	0	114.7	D745 C747	D745-M749 PolarHBondContact O-N 3.27Å; C747-M749 VanDerWaalsContact C-N 3.32Å; C747-M749 PolarHBondContact O-N 3Å
750	R	43.8	Very low	48.7	Very low	230 Å²	230	134.5 Å²	134.5	87%	0.868	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	3.1	175.2	-156.6	171.4	-177.3	167.7	1.7	114	S748	S748-R750 PolarHBondContact O-N 2.84Å
751	S	50	Low	46.6	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	74%	0.741	S	S	*	*	S	Bend	trans	-146.7	63.1	-177.3	-63	0	0	0	0	113.8	S748	S748-S751 PolarHBondContact O-N 3.09Å
752	T	45.7	Very low	44.9	Very low	128 Å²	128	143 Å²	143	79%	0.785	76%	0.756	S	S	*	*			trans	-152.7	85	154.5	47.3	0	0	0	0	110.3
753	S	44	Very low	44.9	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	76%	0.761	S	S	*	*			trans	-140	74.2	157	51.9	0	0	0	0	108.4
754	Y	41	Very low	43.6	Very low	222 Å²	222	136.8 Å²	136.8	87%	0.871	77%	0.769	S	S	*	*			trans	-136.6	104.8	160.4	-52.9	-78.5	0	0	0	107.2
755	T	44.8	Very low	42.2	Very low	148 Å²	148	138.2 Å²	138.2	91%	0.908	78%	0.776	S	S	*	*			trans	-64.9	127	166.3	35.6	0	0	0	0	109.5
756	A	34.5	Very low	40.9	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	79%	0.786	S	S	*	*			trans	-125.7	113.3	161	0	0	0	0	0	108.7
757	T	37.3	Very low	39.7	Very low	137 Å²	137	142.1 Å²	142.1	84%	0.84	79%	0.786	S	S	*	*			trans	-71.4	149.7	172.8	38.9	0	0	0	0	111.4
758	S	39.6	Very low	38.6	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	79%	0.785	S	S	*	*			trans	-45.7	150.8	177.6	56.7	0	0	0	0	116.7
759	I	36.3	Very low	37.5	Very low	160 Å²	160	148.5 Å²	148.5	82%	0.821	80%	0.797	S	S	*	*				-179.4	157.2	114.6	-88.3	156.5	0	0	0	110.5
760	T	38.1	Very low	36.6	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	79%	0.786	S	S	*	*			trans	-63.8	153.7	-163.1	46.7	0	0	0	0	119.7
761	E	32	Very low	35.8	Very low	188 Å²	188	141 Å²	141	88%	0.879	78%	0.78	S	S	*	*				146.6	152.5	128.2	-78.6	-171.1	169.1	0	0	114.6
762	V	31.8	Very low	34.7	Very low	141 Å²	141	144 Å²	144	86%	0.855	79%	0.789	S	S	*	*			trans	-99.6	-176.2	-164.8	-147	0	0	0	0	111.6
763	P	60.8	Low	33.9	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	78%	0.784	S	S	*	*				-115.5	155.5	-113.6	39.7	-21.4	0	0	0	115.5
764	A	29.3	Very low	33.4	Very low	98 Å²	98	144.6 Å²	144.6	81%	0.81	79%	0.785	S	S	*	*			trans	-163.5	126.6	161.1	0	0	0	0	0	115
765	F	28.4	Very low	33.2	Very low	194 Å²	194	141.3 Å²	141.3	85%	0.851	78%	0.777	S	S	*	*			trans	32.4	137.2	135.9	-89.7	-96	0	0	0	124.4
766	M	25.7	Very low	32.7	Very low	152 Å²	152	140.7 Å²	140.7	75%	0.749	77%	0.768	S	S	*	*			trans	83	112.6	137.6	-97.6	166.5	92.1	0	0	122.6
767	Y	25.9	Very low	32.5	Very low	197 Å²	197	143.1 Å²	143.1	77%	0.773	77%	0.767	S	S	*	*				59.9	117.6	126.8	-86.7	-101.3	0	0	0	122.6
768	H	26.2	Very low	32.1	Very low	147 Å²	147	140 Å²	140	68%	0.681	76%	0.762	S	S	*	*				61.3	120.3	129.3	-90.8	-96.7	0	0	0	123
769	H	28.8	Very low	31.5	Very low	168 Å²	168	141.2 Å²	141.2	78%	0.778	77%	0.769	S	S	*	*				-169.6	105	118	-112.7	-64.8	0	0	0	108.2
770	E	24.9	Very low	31	Very low	137 Å²	137	141.9 Å²	141.9	64%	0.64	77%	0.768	S	S	*	*				57.9	107.1	98.4	-75.7	-174.2	153	0	0	114
771	C	25.8	Very low	30.6	Very low	112 Å²	112	141.8 Å²	141.8	76%	0.757	77%	0.768	S	S	*	*				84	114.6	79.1	-87.3	0	0	0	0	113.3
772	N	27.3	Very low	30.4	Very low	154 Å²	154	142 Å²	142	82%	0.824	77%	0.766	S	S	*	*				-173.3	118.3	111	-93.8	-12.3	0	0	0	108.1
773	A	29.8	Very low	30.3	Very low	83 Å²	83	142.6 Å²	142.6	69%	0.686	76%	0.764	S	S	*	*				75.8	125.8	87	0	0	0	0	0	109.4
774	E	33.6	Very low	28.9	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	77%	0.765	S	S	*	*				-159.4	143.2	55.7	-77.3	-176.7	136.7	0	0	113.6
775	H	35.5	Very low	28.9	Very low	152 Å²	152	146 Å²	146	70%	0.704	77%	0.765	S	S	*	*			trans	65.1	130.4	132.3	-78.9	-104.5	0	0	0	120.2
776	L	34.3	Very low	28.9	Very low	135 Å²	135	143.1 Å²	143.1	71%	0.707	76%	0.758	S	S	*	*			cis	-157.3	136.8	27.9	-99.8	133.9	0	0	0	113
777	N	30.7	Very low	29.1	Very low	152 Å²	152	142 Å²	142	81%	0.813	76%	0.759	S	S	*	*			trans	40	138.2	138.2	-71.3	-7	0	0	0	121.9
778	G	29.6	Very low	29.2	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	76%	0.758	S	S	*	*			cis	163.3	151.6	2.3	0	0	0	0	0	113.3
779	C	26.9	Very low	29.4	Very low	124 Å²	124	137.7 Å²	137.7	84%	0.838	77%	0.767	S	S	*	*			trans	65.5	107.7	154	-112.4	0	0	0	0	120.6
780	H	26.4	Very low	29.4	Very low	175 Å²	175	138.9 Å²	138.9	81%	0.81	77%	0.769	S	S	*	*				57.1	131.1	79.4	-93.6	-62.2	0	0	0	114
781	T	29.3	Very low	29.5	Very low	112 Å²	112	138 Å²	138	69%	0.687	78%	0.778	S	S	*	*			cis	-165	167	37	39	0	0	0	0	107.4
782	K	28.1	Very low	29.6	Very low	194 Å²	194	135.5 Å²	135.5	84%	0.843	77%	0.772	S	S	*	*			cis	-168.3	154.3	25.3	-133.1	165.1	-171.2	178.7	0	110.3
783	D	28.8	Very low	29.8	Very low	153 Å²	153	135.6 Å²	135.6	82%	0.818	77%	0.772	S	S	*	*			trans	-83	158.7	-179.8	-80.3	-45.9	0	0	0	116.1
784	S	30.8	Very low	29.9	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	77%	0.773	S	S	*	*			trans	85	129.1	132.1	-72.7	0	0	0	0	125.4
785	E	29.2	Very low	29.9	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	78%	0.778	S	S	*	*			trans	-33.9	164.7	142	-69.7	-178	132	0	0	115
786	L	28.9	Very low	29.9	Very low	135 Å²	135	141 Å²	141	71%	0.707	81%	0.814	S	S	*	*			cis	-168.1	150.7	8.9	-141.2	88	0	0	0	108.4
787	V	30.5	Very low	29.7	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	82%	0.819	S	S	*	*			trans	51.6	125	144.1	176	0	0	0	0	122.5
788	A	28.5	Very low	29.6	Very low	90 Å²	90	140.7 Å²	140.7	74%	0.744	82%	0.82	S	S	*	*				173.7	124.5	120.1	0	0	0	0	0	115.4
789	L	29.9	Very low	29.6	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	83%	0.825	S	S	*	*			trans	34.3	117.6	140	-75.4	153.7	0	0	0	124.4
790	K	28.1	Very low	29.8	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	82%	0.824	S	S	*	*				71	124.8	119.8	-147.1	-175.4	-176.5	-177.4	0	122.4
791	S	28.4	Very low	30	Very low	119 Å²	119	144 Å²	144	83%	0.832	83%	0.825	S	S	*	*			trans	116.9	131.1	131.2	-152.2	0	0	0	0	117.3
792	G	28.1	Very low	30.1	Very low	60 Å²	60	146.1 Å²	146.1	62%	0.619	83%	0.834	S	S	*	*			trans	107	95.3	139.8	0	0	0	0	0	118.4
793	D	30.9	Very low	30.2	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	83%	0.833	S	S	*	*			trans	62.1	147.6	130.5	-61.6	-28	0	0	0	124.5
794	T	31.6	Very low	30.3	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	83%	0.834	S	S	*	*			trans	94.1	106.8	145.3	43.6	0	0	0	0	121.5
795	Y	34.2	Very low	30.3	Very low	222 Å²	222	144.4 Å²	144.4	87%	0.871	84%	0.839	S	S	*	*			trans	48	116.2	136.9	-58.5	-77.1	0	0	0	121
796	A	35.2	Very low	30.4	Very low	178 Å²	178	141.6 Å²	141.6	100%	1.471	84%	0.841	S	S	*	*				-166.6	0	108.9	0	0	0	0	0	109.9

Retrieved 796 of 796 residues in 193.7 ms (Link to these results)

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