A0A077YZI7_TRITR Loading...

Cysteine proteinase

AlphaFold DB , UniProt , Accession A0A077YZI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 545 aa.

Structure Viewer

Loading PAE data...

(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	33.6	Very low	37.4	Very low	234 Å²	234	170.1 Å²	170.1	100%	1.153	82%	0.824	S	S	*	*				0	138.4	0	-90.5	173.2	42	0	0	108.3
2	L	35.7	Very low	37.9	Very low	165 Å²	165	163.4 Å²	163.4	86%	0.864	80%	0.801	S	S	*	*			trans	93.9	82.3	178.7	-51.7	177.3	0	0	0	115.3
3	Q	34.4	Very low	37.9	Very low	203 Å²	203	162 Å²	162	95%	0.949	79%	0.788	S	S	*	*			trans	-153.1	29.3	166.6	-120.3	176	11.7	0	0	115.9
4	E	35.1	Very low	38	Very low	187 Å²	187	160.5 Å²	160.5	87%	0.874	78%	0.779	S	S	*	*	S	Bend	trans	-127.2	12	-177.8	-110.3	-177.3	-173.3	0	0	117.7
5	E	34	Very low	38	Very low	178 Å²	178	159.3 Å²	159.3	83%	0.832	77%	0.771	S	S	*	*			trans	-107.8	4.9	-169.2	-87.4	-171.6	164.9	0	0	119.9
6	D	39.1	Very low	38.1	Very low	136 Å²	136	156.9 Å²	156.9	73%	0.727	76%	0.759	S	S	*	*	S	Bend	trans	-111.4	7.7	-172.5	-107.3	-21.8	0	0	0	118.1
7	T	40.5	Very low	38.1	Very low	125 Å²	125	154.2 Å²	154.2	77%	0.767	75%	0.748	S	S	*	*	S	Bend	trans	-85.2	-17.4	178.2	45.3	0	0	0	0	115.2
8	T	41.1	Very low	38	Very low	109 Å²	109	152.2 Å²	152.2	67%	0.669	74%	0.741	S	S	*	*	H	α-helix	trans	-82.1	-22.8	-173.1	-7.7	0	0	0	0	113.6
9	R	38.4	Very low	37.7	Very low	200 Å²	200	146.9 Å²	146.9	76%	0.755	73%	0.73	S	S	*	*	H	α-helix	trans	-79.7	-23	-172.9	-147.2	175.9	-173.1	179.5	2.7	114.2	T12	R9-T12 PolarHBondContact O-OG1 3.08Å; R9-T12 VanDerWaalsContact O-OG1 3.08Å
10	N	39.9	Very low	37.9	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	72%	0.723	S	S	*	*	H	α-helix	trans	-81.1	-28.2	179.7	-82.4	-13	0	0	0	113.7
11	R	39.3	Very low	37.7	Very low	200 Å²	200	145.9 Å²	145.9	76%	0.755	72%	0.719	S	S	*	*	H	α-helix	trans	-69.5	-32.1	178.7	-95.6	-176.9	171.8	173.7	-1.9	113.6	F13	R11-F13 VanDerWaalsContact C-N 3.29Å; R11-F13 PolarHBondContact O-N 3.39Å
12	T	44.1	Very low	37.7	Very low	90 Å²	90	144.4 Å²	144.4	55%	0.552	70%	0.701	S	S	*	*	H	α-helix	trans	-70.4	-23.9	-178.8	37.1	0	0	0	0	113.3	R9	R9-T12 PolarHBondContact O-OG1 3.08Å; R9-T12 VanDerWaalsContact O-OG1 3.08Å
13	F	38.1	Very low	37.3	Very low	145 Å²	145	138.6 Å²	138.6	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-78.9	-33.1	-179.7	-163	-99.2	0	0	0	113.3	R11	R11-F13 VanDerWaalsContact C-N 3.29Å; R11-F13 PolarHBondContact O-N 3.39Å
14	E	38.2	Very low	37.2	Very low	141 Å²	141	135.4 Å²	135.4	66%	0.659	67%	0.669	S	S	*	*	H	α-helix	trans	-72.6	-36.5	178	-72.6	-167.8	152.6	0	0	112.5	L17 L18	E14-L17 PolarHBondContact O-N 3.28Å; E14-L18 PolarHBondContact O-N 2.89Å
15	E	38.6	Very low	36.8	Very low	142 Å²	142	134.8 Å²	134.8	66%	0.664	67%	0.666	S	S	*	*	H	α-helix	trans	-68.6	-35.3	178.1	-69.9	-177.2	161.7	0	0	112.5	L17 G19	E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 2.8Å; E15-G19 PolarHBondContact O-N 3.19Å; E15-G19 VanDerWaalsContact O-N 3.17Å
16	E	40.3	Very low	36.5	Very low	122 Å²	122	134.4 Å²	134.4	57%	0.57	67%	0.666	S	S	*	*	H	α-helix	trans	-65.7	-31.1	174.6	-96.1	-161.7	160.2	0	0	113.3	K20	E16-K20 PolarHBondContact O-N 3.1Å
17	L	37	Very low	35.8	Very low	110 Å²	110	134.4 Å²	134.4	58%	0.576	66%	0.664	S	S	*	*	H	α-helix	trans	-73.4	-42.5	-179.7	-145.3	88.2	0	0	0	111.2	E14 E15 G19 K20 Q21	E14-L17 PolarHBondContact O-N 3.28Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 2.8Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.5Å; L17-K20 PolarHBondContact O-N 3.44Å; L17-Q21 PolarHBondContact O-N 3Å
18	L	37.1	Very low	35.2	Very low	119 Å²	119	132.3 Å²	132.3	62%	0.623	67%	0.667	S	S	*	*	H	α-helix	trans	-65.2	-36.4	176.4	-81.2	159.5	0	0	0	112.1	E14 K20 Q21	E14-L18 PolarHBondContact O-N 2.89Å; L18-K20 PolarHBondContact O-N 3.1Å; L18-Q21 PolarHBondContact O-N 2.93Å
19	G	32.7	Very low	34.8	Very low	52 Å²	52	132.7 Å²	132.7	54%	0.536	66%	0.664	S	S	.	*	H	α-helix	trans	-62.8	-37.7	174.7	0	0	0	0	0	113.6	E15 L17	E15-G19 PolarHBondContact O-N 3.19Å; E15-G19 VanDerWaalsContact O-N 3.17Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.5Å
20	K	40.7	Very low	34.2	Very low	136 Å²	136	132.5 Å²	132.5	59%	0.591	67%	0.671	S	S	*	*	H	α-helix	trans	-72	-28.5	179	-77.2	172.7	-176.8	156.2	0	113.2	E16 L17 L18 G23	E16-K20 PolarHBondContact O-N 3.1Å; L17-K20 PolarHBondContact O-N 3.44Å; L18-K20 PolarHBondContact O-N 3.1Å; K20-G23 PolarHBondContact O-N 3.05Å
21	Q	33.5	Very low	33.8	Very low	136 Å²	136	135.6 Å²	135.6	64%	0.636	68%	0.678	S	S	*	*	H	α-helix	trans	-69.7	-36.6	-179.2	-148.7	163.7	0.5	0	0	111.9	L17 L18 G23	L17-Q21 PolarHBondContact O-N 3Å; L18-Q21 PolarHBondContact O-N 2.93Å; Q21-G23 VanDerWaalsContact C-N 3.33Å; Q21-G23 PolarHBondContact O-N 3.44Å
22	R	33.3	Very low	33.5	Very low	203 Å²	203	133.5 Å²	133.5	77%	0.766	68%	0.682	S	S	*	*	H	α-helix	trans	-67.5	-28.2	172.5	-77.5	-175.7	-178.4	171.9	2.2	113.8	L24	R22-L24 VanDerWaalsContact C-N 3.35Å; R22-L24 PolarHBondContact O-N 3.4Å
23	G	28.6	Very low	33.1	Very low	42 Å²	42	135.3 Å²	135.3	43%	0.433	69%	0.692	S	S	.	*	H	α-helix	trans	-71.7	-25.6	-179.3	0	0	0	0	0	114.5	K20 Q21	K20-G23 PolarHBondContact O-N 3.05Å; Q21-G23 VanDerWaalsContact C-N 3.33Å; Q21-G23 PolarHBondContact O-N 3.44Å
24	L	31	Very low	33.2	Very low	137 Å²	137	130.4 Å²	130.4	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-79	-22	-177.5	-78.8	163.8	0	0	0	113.5	R22 M26	R22-L24 VanDerWaalsContact C-N 3.35Å; R22-L24 PolarHBondContact O-N 3.4Å; L24-M26 PolarHBondContact O-N 3.34Å
25	E	28	Very low	33.5	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-20.3	175.8	-68.6	-176.7	155.3	0	0	112.6
26	M	26.5	Very low	34	Very low	169 Å²	169	120.7 Å²	120.7	83%	0.833	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-14.8	-176.9	-71.4	-113.2	-59.9	0	0	115.1	L24	L24-M26 PolarHBondContact O-N 3.34Å
27	M	25.9	Very low	34.6	Very low	137 Å²	137	115.1 Å²	115.1	68%	0.675	61%	0.607	S	S	*	*			trans	-102.6	87.8	-176.1	-69.4	-163.9	-169.6	0	0	112.1	I29	M27-I29 PolarHBondContact O-N 3.32Å
28	G	27.2	Very low	35	Very low	80 Å²	80	111.3 Å²	111.3	83%	0.825	59%	0.585	S	S	*	*			trans	-63.1	76.4	179.8	0	0	0	0	0	116.1	Q30	G28-Q30 PolarHBondContact O-N 3.42Å
29	I	31.8	Very low	35.4	Very low	118 Å²	118	106.5 Å²	106.5	61%	0.605	56%	0.558	S	S	*	*			trans	-79.3	113.7	166.7	-63.1	172.4	0	0	0	108.5	M27 K31	M27-I29 PolarHBondContact O-N 3.32Å; I29-K31 PolarHBondContact O-N 3.39Å
30	Q	26.6	Very low	35.7	Very low	195 Å²	195	105.5 Å²	105.5	91%	0.911	54%	0.544	S	S	*	.			trans	-49.2	114.4	-180	-72.5	176.6	-30.5	0	0	112.8	G28	G28-Q30 PolarHBondContact O-N 3.42Å
31	K	30.9	Very low	35.6	Very low	200 Å²	200	105.2 Å²	105.2	87%	0.87	55%	0.55	S	S	*	.			trans	-94.6	15.1	-173.4	-120.1	-174.6	-176.5	-175.3	0	116.1	I29	I29-K31 PolarHBondContact O-N 3.39Å
32	N	34	Very low	35.8	Very low	156 Å²	156	100.2 Å²	100.2	83%	0.834	53%	0.525	S	S	*	.			trans	-121.8	47.3	-158.4	-92.7	-2.8	0	0	0	118.8
33	V	35.7	Very low	35.7	Very low	127 Å²	127	98.3 Å²	98.3	77%	0.77	53%	0.525	S	S	*	.			trans	-135.5	96	153	-170.8	0	0	0	0	109.1	H35 P183	V33-H35 PolarHBondContact O-N 3.17Å; V33-P183 HydrophobicContact CG1-CG 4.21Å
34	S	39.7	Very low	36.1	Very low	42 Å²	42	99.5 Å²	99.5	29%	0.294	52%	0.517	S	S	.	.			trans	-63.2	120.1	177.6	44.1	0	0	0	0	110.5
35	H	45.4	Very low	36.1	Very low	66 Å²	66	99.7 Å²	99.7	31%	0.306	51%	0.512	S	S	.	.			trans	-58.8	143	170.8	-165.2	-89.1	0	0	0	108.6	V33 C37 A40 P115	V33-H35 PolarHBondContact O-N 3.17Å; H35-C37 VanDerWaalsContact CE1-SG 3.52Å; H35-C37 WeakPolarHBondContact ND1-CB 3.09Å; H35-C37 PolarHBondContact ND1-N 3.48Å; H35-C37 PolarHBondContact ND1-SG 2.81Å; H35-C37 VanDerWaalsContact ND1-SG 3.44Å; H35-C37 PolarHBondContact O-N 3.01Å; H35-A40 HydrophobicContact CB-CB 4.28Å; H35-P115 HydrophobicContact CB-CG 4.26Å; H35-P115 WeakPolarHBondContact CD2-CG 2.87Å; H35-P115 VanDerWaalsContact CG-CG 3.47Å; H35-P115 WeakPolarHBondContact NE2-CG 3.27Å
36	P	49.1	Very low	36.6	Very low	14 Å²	14	95.7 Å²	95.7	9%	0.091	50%	0.495	C	S	.	.	S	Bend	trans	-58.8	-15.6	-179.9	23.6	-36.2	0	0	0	113.7	V184 Q213 L216	P36-V184 VanDerWaalsContact CA-CG2 3.45Å; P36-V184 HydrophobicContact CB-CG2 3.49Å; P36-V184 VanDerWaalsContact CB-CG2 3.49Å; P36-Q213 WeakPolarHBondContact O-CG 3.47Å; P36-Q213 PolarHBondContact O-NE2 3.37Å; P36-L216 HydrophobicContact CB-CD1 4.37Å
37	C	52.1	Low	37.1	Very low	5 Å²	5	92 Å²	92	3%	0.034	48%	0.478	C	S	.	.	S	Bend	trans	-91.2	113.9	179	-52.5	0	0	0	0	111.2	H35 W39 A40 C217	H35-C37 VanDerWaalsContact CE1-SG 3.52Å; H35-C37 WeakPolarHBondContact ND1-CB 3.09Å; H35-C37 PolarHBondContact ND1-N 3.48Å; H35-C37 PolarHBondContact ND1-SG 2.81Å; H35-C37 VanDerWaalsContact ND1-SG 3.44Å; H35-C37 PolarHBondContact O-N 3.01Å; C37-W39 HydrophobicContact CB-CD2 3.71Å; C37-W39 HydrophobicContact CB-CE3 4.37Å; C37-W39 HydrophobicContact CB-CG 4.06Å; C37-W39 HydrophobicContact CB-CH2 4.08Å; C37-W39 HydrophobicContact CB-CZ2 3.39Å; C37-W39 PolarHBondContact O-N 2.97Å; C37-W39 VanDerWaalsContact SG-CZ2 3.54Å; C37-A40 PolarHBondContact O-N 3.03Å; C37-A40 VanDerWaalsContact O-N 3.14Å; C37-C217 WeakPolarHBondContact CA-SG 3.32Å; C37-C217 HydrophobicContact CB-CB 4.21Å; C37-C217 WeakPolarHBondContact CB-SG 3.42Å; C37-C217 WeakPolarHBondContact SG-CB 3.46Å; C37-C217 CovalentContact SG-SG 2.04Å; C37-C217 PolarHBondContact SG-SG 3.31Å
38	W	45.1	Very low	37.7	Very low	30 Å²	30	90 Å²	90	11%	0.114	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-48.7	-19.4	-177.2	50.7	-75.3	0	0	0	115	Y42 M107	W38-Y42 AromaticContact CE3-CE2 3.77Å; W38-Y42 HydrophobicContact CE3-CE2 3.77Å; W38-Y42 HydrophobicContact CZ3-CE2 4.25Å; W38-Y42 WeakPolarHBondContact O-CE2 3.42Å; W38-M107 WeakPolarHBondContact CH2-O 3.49Å; W38-M107 VanDerWaalsContact CZ2-O 3.27Å; W38-M107 WeakPolarHBondContact CZ2-O 3.32Å
39	W	45.2	Very low	38.4	Very low	18 Å²	18	89.3 Å²	89.3	7%	0.068	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-75.2	-20.4	-179	44.6	60.4	0	0	0	115.1	C37 D41 Y42 M107 V112 Y113 C217	C37-W39 HydrophobicContact CB-CD2 3.71Å; C37-W39 HydrophobicContact CB-CE3 4.37Å; C37-W39 HydrophobicContact CB-CG 4.06Å; C37-W39 HydrophobicContact CB-CH2 4.08Å; C37-W39 HydrophobicContact CB-CZ2 3.39Å; C37-W39 PolarHBondContact O-N 2.97Å; C37-W39 VanDerWaalsContact SG-CZ2 3.54Å; W39-D41 PolarHBondContact O-N 3.33Å; W39-Y42 PolarHBondContact O-N 3.47Å; W39-M107 HydrophobicContact CH2-CE 3.87Å; W39-M107 HydrophobicContact CH2-SD 3.6Å; W39-M107 VanDerWaalsContact CH2-SD 3.6Å; W39-M107 HydrophobicContact CZ3-CE 3.65Å; W39-M107 HydrophobicContact CZ3-SD 3.41Å; W39-M107 WeakPolarHBondContact CZ3-SD 3.5Å; W39-V112 HydrophobicContact CB-CB 3.56Å; W39-V112 HydrophobicContact CB-CG1 3.67Å; W39-V112 HydrophobicContact CB-CG2 3.43Å; W39-V112 VanDerWaalsContact CB-CG2 3.43Å; W39-V112 WeakPolarHBondContact O-CG1 3.38Å; W39-V112 WeakPolarHBondContact O-CG2 3.44Å; W39-Y113 VanDerWaalsContact CG-N 3.26Å; W39-Y113 AromaticContact NE1-CD1 3.52Å; W39-Y113 AromaticContact NE1-CG 3.95Å; W39-C217 HydrophobicContact CH2-CB 3.36Å; W39-C217 HydrophobicContact CZ2-CB 3.66Å; W39-C217 HydrophobicContact CZ3-CB 4.36Å
40	A	40	Very low	38.8	Very low	30 Å²	30	85.8 Å²	85.8	25%	0.248	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-57.8	-17.5	-176	0	0	0	0	0	115.5	H35 C37	H35-A40 HydrophobicContact CB-CB 4.28Å; C37-A40 PolarHBondContact O-N 3.03Å; C37-A40 VanDerWaalsContact O-N 3.14Å
41	D	37.2	Very low	39.5	Very low	131 Å²	131	82.2 Å²	82.2	70%	0.701	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-110.8	6.2	-169.6	-62.4	-36.5	0	0	0	116	W39	W39-D41 PolarHBondContact O-N 3.33Å
42	Y	37.8	Very low	40.2	Very low	30 Å²	30	73.7 Å²	73.7	12%	0.118	37%	0.374	C	S	.	.			trans	-80.8	154.7	-177.2	-80.6	-99.3	0	0	0	114.3	W38 W39 Y44 V112 A167 F170	W38-Y42 AromaticContact CE3-CE2 3.77Å; W38-Y42 HydrophobicContact CE3-CE2 3.77Å; W38-Y42 HydrophobicContact CZ3-CE2 4.25Å; W38-Y42 WeakPolarHBondContact O-CE2 3.42Å; W39-Y42 PolarHBondContact O-N 3.47Å; Y42-Y44 VanDerWaalsContact O-CD2 3.23Å; Y42-Y44 WeakPolarHBondContact O-CD2 3.34Å; Y42-Y44 WeakPolarHBondContact O-CE2 3.25Å; Y42-V112 VanDerWaalsContact CB-CG2 3.44Å; Y42-V112 HydrophobicContact CD1-CG2 4.23Å; Y42-V112 HydrophobicContact CD2-CG2 3.19Å; Y42-V112 HydrophobicContact CE2-CG2 3.89Å; Y42-V112 HydrophobicContact CG-CG2 3.35Å; Y42-A167 HydrophobicContact CD1-CB 3.18Å; Y42-A167 HydrophobicContact CE1-CB 3.27Å; Y42-A167 HydrophobicContact CG-CB 4.3Å; Y42-F170 HydrophobicContact CE1-CB 3.87Å
43	E	32.2	Very low	40.7	Very low	164 Å²	164	72.5 Å²	72.5	77%	0.766	37%	0.368	S	S	*	.			trans	-86.2	146.3	164.7	-72	-171.6	166	0	0	111.2
44	Y	36.9	Very low	41.1	Very low	66 Å²	66	70.8 Å²	70.8	26%	0.259	36%	0.355	S	S	.	.			trans	-120.1	126.7	-162.5	-54.4	-94.5	0	0	0	112.5	Y42 V112 F163	Y42-Y44 VanDerWaalsContact O-CD2 3.23Å; Y42-Y44 WeakPolarHBondContact O-CD2 3.34Å; Y42-Y44 WeakPolarHBondContact O-CE2 3.25Å; Y44-V112 HydrophobicContact CD1-CG1 4.44Å; Y44-V112 HydrophobicContact CE1-CB 4.23Å; Y44-V112 HydrophobicContact CE1-CG1 3.38Å; Y44-V112 WeakPolarHBondContact OH-CG1 3.47Å; Y44-F163 HydrophobicContact CD1-CB 3.33Å; Y44-F163 WeakPolarHBondContact CD1-O 3.5Å; Y44-F163 HydrophobicContact CD2-CB 3.49Å; Y44-F163 VanDerWaalsContact CD2-CB 3.49Å; Y44-F163 HydrophobicContact CD2-CD2 4.32Å; Y44-F163 AromaticContact CD2-CG 3.98Å; Y44-F163 HydrophobicContact CD2-CG 3.98Å; Y44-F163 HydrophobicContact CE1-CB 3.7Å; Y44-F163 WeakPolarHBondContact CE1-O 3.49Å; Y44-F163 HydrophobicContact CE2-CB 3.91Å; Y44-F163 HydrophobicContact CG-CB 3.2Å; Y44-F163 HydrophobicContact CG-CG 4.02Å
45	K	31.6	Very low	41.3	Very low	142 Å²	142	77.5 Å²	77.5	62%	0.617	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-101.5	123.2	164.2	-169.2	176.8	-178.8	179.9	0	111.5	G165	K45-G165 WeakPolarHBondContact O-CA 3.45Å
46	I	38.2	Very low	41.2	Very low	89 Å²	89	76.4 Å²	76.4	46%	0.456	38%	0.381	S	S	.	.			trans	-72.8	128.7	177.7	-59.6	173.3	0	0	0	109.6	V49 V97	I46-V49 HydrophobicContact CG2-CG2 3.65Å; I46-V97 HydrophobicContact CG2-CG2 4.33Å
47	L	36.7	Very low	41.1	Very low	93 Å²	93	81.9 Å²	81.9	49%	0.487	41%	0.405	S	S	.	.			trans	-77.9	-56.7	178.3	-79.8	179.6	0	0	0	113.9	Y99 W166	L47-Y99 HydrophobicContact CB-CE1 4.36Å; L47-Y99 HydrophobicContact CD1-CD1 3.88Å; L47-Y99 HydrophobicContact CD1-CE1 3.43Å; L47-Y99 VanDerWaalsContact CD1-CE1 3.43Å; L47-Y99 HydrophobicContact CG-CE1 3.97Å; L47-W166 HydrophobicContact CD1-CZ2 3.63Å; L47-W166 VanDerWaalsContact CD1-NE1 3.26Å; L47-W166 HydrophobicContact CD2-CZ2 3.93Å; L47-W166 HydrophobicContact CG-CZ2 4.24Å
48	K	38.9	Very low	40.6	Very low	93 Å²	93	84.3 Å²	84.3	40%	0.404	42%	0.422	S	S	.	.			trans	-164	140.1	-178.1	-165.3	170.2	-173.7	170.5	0	110.5	R65 D67 V97	K48-R65 PolarHBondContact NZ-O 3.27Å; K48-D67 IonicContact NZ-OD2 2.92Å; K48-D67 PolarHBondContact NZ-OD2 3.4Å; K48-V97 WeakPolarHBondContact O-CG1 3.29Å; K48-V97 WeakPolarHBondContact O-CG2 3.14Å
49	V	40.4	Very low	40.7	Very low	67 Å²	67	85.1 Å²	85.1	41%	0.406	43%	0.427	S	S	.	.			trans	-108.3	118.8	-168.5	173.1	0	0	0	0	109	I46 T95	I46-V49 HydrophobicContact CG2-CG2 3.65Å; V49-T95 HydrophobicContact CB-CG2 4.49Å; V49-T95 HydrophobicContact CG1-CG2 3.03Å; V49-T95 WeakPolarHBondContact CG1-OG1 3.27Å
50	I	41.6	Very low	40.8	Very low	44 Å²	44	90.3 Å²	90.3	23%	0.226	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.4	176	-58.8	-179.9	0	0	0	109.8	V61 F66 T95 S96	I50-V61 HydrophobicContact CD1-CG1 4.11Å; I50-F66 HydrophobicContact CD1-CD1 4.32Å; I50-F66 HydrophobicContact CD1-CE1 3.33Å; I50-F66 HydrophobicContact CD1-CZ 3.55Å; I50-T95 CarbonylContact O-C 3.56Å; I50-T95 WeakPolarHBondContact O-CA 3.2Å; I50-T95 WeakPolarHBondContact O-CB 3.43Å; I50-S96 WeakPolarHBondContact CB-O 3.4Å; I50-S96 PolarHBondContact N-O 3.15Å; I50-S96 PolarHBondContact O-N 3.17Å
51	Q	41.1	Very low	41.1	Very low	119 Å²	119	89.8 Å²	89.8	56%	0.556	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.5	176.9	-69.8	-73.2	-10	0	0	111	N93 K94 T95	Q51-N93 PolarHBondContact NE2-O 3.49Å; Q51-N93 VanDerWaalsContact NE2-O 3.1Å; Q51-N93 PolarHBondContact OE1-O 2.85Å; Q51-K94 PolarHBondContact OE1-O 3.1Å; Q51-T95 HydrophobicContact CG-CG2 4.06Å
52	L	46.2	Very low	41.7	Very low	21 Å²	21	88.5 Å²	88.5	11%	0.11	43%	0.428	C	S	.	.			trans	-105.4	132.1	174.2	-60	179.8	0	0	0	110.6	N54 K94 S96 M122	L52-N54 PolarHBondContact O-N 3.02Å; L52-K94 PolarHBondContact N-O 3.46Å; L52-S96 WeakPolarHBondContact CD1-OG 3.37Å; L52-M122 HydrophobicContact CD1-CE 3.8Å
53	N	44.7	Very low	41.8	Very low	131 Å²	131	89.3 Å²	89.3	70%	0.701	43%	0.434	S	S	*	.			trans	-69.8	124.3	171.6	-78.7	-19.7	0	0	0	112.2	H55 S56 Q59	N53-H55 PolarHBondContact O-N 2.97Å; N53-S56 PolarHBondContact O-OG 3.07Å; N53-Q59 PolarHBondContact O-NE2 2.6Å
54	N	42.9	Very low	42.4	Very low	92 Å²	92	87.8 Å²	87.8	49%	0.492	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-8.7	-171.2	-97.5	1.2	0	0	0	117.7	L52 K94	L52-N54 PolarHBondContact O-N 3.02Å; N54-K94 WeakPolarHBondContact ND2-CE 3.07Å
55	H	44.7	Very low	42.7	Very low	182 Å²	182	92.8 Å²	92.8	84%	0.843	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-5.9	-166.4	-64.9	-66.2	0	0	0	115.4	N53	N53-H55 PolarHBondContact O-N 2.97Å
56	S	43	Very low	43.3	Very low	44 Å²	44	88 Å²	88	31%	0.308	43%	0.428	S	S	.	.			trans	-106.2	130.8	-176.3	56.3	0	0	0	0	112.4	N53 S58 Q59	N53-S56 PolarHBondContact O-OG 3.07Å; S56-S58 WeakPolarHBondContact CB-O 3.36Å; S56-S58 PolarHBondContact O-N 2.72Å; S56-Q59 WeakPolarHBondContact OG-CG 3.4Å; S56-Q59 PolarHBondContact OG-NE2 2.78Å
57	H	46.3	Very low	43.4	Very low	128 Å²	128	90.4 Å²	90.4	59%	0.593	44%	0.442	S	S	*	.	S	Bend	trans	-72	-18.7	172.8	-70.9	83.5	0	0	0	112.8	V137	H57-V137 PolarHBondContact O-N 2.9Å
58	S	42.4	Very low	43.8	Very low	57 Å²	57	89.9 Å²	89.9	40%	0.399	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136	-178.3	46.3	0	0	0	0	109.9	S56 V135 N136	S56-S58 WeakPolarHBondContact CB-O 3.36Å; S56-S58 PolarHBondContact O-N 2.72Å; S58-V135 WeakPolarHBondContact CA-O 3.45Å; S58-N136 WeakPolarHBondContact CB-OD1 3.31Å
59	Q	46.9	Very low	44.1	Very low	47 Å²	47	89.9 Å²	89.9	22%	0.22	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.4	170.5	-69.8	-166.6	2.1	0	0	110.8	N53 S56 V135	N53-Q59 PolarHBondContact O-NE2 2.6Å; S56-Q59 WeakPolarHBondContact OG-CG 3.4Å; S56-Q59 PolarHBondContact OG-NE2 2.78Å; Q59-V135 PolarHBondContact N-O 2.86Å; Q59-V135 VanDerWaalsContact N-O 3.1Å; Q59-V135 PolarHBondContact O-N 2.96Å
60	Y	46.6	Very low	44.5	Very low	127 Å²	127	89.6 Å²	89.6	50%	0.498	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.4	173.1	-60.8	-77.9	0	0	0	109.5	Q132 L133 M134	Y60-Q132 HydrophobicContact CD1-CB 3.78Å; Y60-Q132 HydrophobicContact CD1-CG 4.35Å; Y60-Q132 HydrophobicContact CG-CB 4.35Å; Y60-L133 WeakPolarHBondContact CA-O 3.45Å; Y60-M134 HydrophobicContact CD1-CB 4.02Å; Y60-M134 HydrophobicContact CD1-CG 4.37Å; Y60-M134 HydrophobicContact CE1-CB 3.89Å; Y60-M134 HydrophobicContact CE1-CE 3.57Å; Y60-M134 HydrophobicContact CE1-CG 4.03Å; Y60-M134 VanDerWaalsContact OH-CE 3.29Å; Y60-M134 WeakPolarHBondContact OH-CE 3.12Å
61	V	47.3	Very low	44.8	Very low	18 Å²	18	93.4 Å²	93.4	11%	0.109	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.7	171.3	-168.7	0	0	0	0	108.8	I50 F66 L133 V135	I50-V61 HydrophobicContact CD1-CG1 4.11Å; V61-F66 HydrophobicContact CG1-CE2 3.75Å; V61-F66 HydrophobicContact CG1-CZ 3.54Å; V61-L133 PolarHBondContact N-O 3.13Å; V61-L133 PolarHBondContact O-N 3.17Å; V61-V135 HydrophobicContact CG2-CG2 4.26Å
62	Y	48.5	Very low	45.4	Very low	105 Å²	105	96.1 Å²	96.1	41%	0.412	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.4	176.6	-66.2	-86.2	0	0	0	110.5	D64 R65 F66 Q132	Y62-D64 VanDerWaalsContact C-N 3.27Å; Y62-D64 WeakPolarHBondContact CB-OD1 3.35Å; Y62-D64 PolarHBondContact O-N 3.5Å; Y62-R65 PolarHBondContact O-N 3.38Å; Y62-F66 VanDerWaalsContact O-CE2 3.31Å; Y62-F66 WeakPolarHBondContact O-CE2 3.18Å; Y62-Q132 HydrophobicContact CD1-CG 4.14Å; Y62-Q132 HydrophobicContact CE1-CG 3.72Å; Y62-Q132 PolarHBondContact OH-NE2 3.49Å; Y62-Q132 VanDerWaalsContact OH-NE2 3.1Å
63	L	41	Very low	45.5	Very low	47 Å²	47	100.2 Å²	100.2	25%	0.246	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-69.4	-20.7	-173.3	-67	175.3	0	0	0	114.1	R65 F66 F100 L133	L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 3.34Å; L63-F66 WeakPolarHBondContact O-CD2 3.35Å; L63-F100 HydrophobicContact CD2-CE1 4Å; L63-F100 HydrophobicContact CD2-CE2 4.2Å; L63-F100 HydrophobicContact CD2-CZ 3.32Å; L63-L133 HydrophobicContact CD2-CB 4.32Å; L63-L133 HydrophobicContact CD2-CD1 3.77Å
64	D	44	Very low	45.6	Very low	132 Å²	132	94.6 Å²	94.6	71%	0.706	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15	-179	64.1	-22.3	0	0	0	113.8	Y62 F66	Y62-D64 VanDerWaalsContact C-N 3.27Å; Y62-D64 WeakPolarHBondContact CB-OD1 3.35Å; Y62-D64 PolarHBondContact O-N 3.5Å; D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 2.91Å
65	R	42.8	Very low	45.9	Very low	171 Å²	171	97.2 Å²	97.2	65%	0.645	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-78.7	-1.7	-178.4	-64.5	-166.3	177.7	-165	-0.7	114.9	K48 Y62 L63	K48-R65 PolarHBondContact NZ-O 3.27Å; Y62-R65 PolarHBondContact O-N 3.38Å; L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 3.34Å
66	F	44.7	Very low	46.1	Very low	41 Å²	41	95.3 Å²	95.3	18%	0.18	48%	0.477	C	S	.	.	S	Bend	trans	-104.2	135.8	-173.1	-59.4	-83.9	0	0	0	111.8	I50 V61 Y62 L63 D64 L98	I50-F66 HydrophobicContact CD1-CD1 4.32Å; I50-F66 HydrophobicContact CD1-CE1 3.33Å; I50-F66 HydrophobicContact CD1-CZ 3.55Å; V61-F66 HydrophobicContact CG1-CE2 3.75Å; V61-F66 HydrophobicContact CG1-CZ 3.54Å; Y62-F66 VanDerWaalsContact O-CE2 3.31Å; Y62-F66 WeakPolarHBondContact O-CE2 3.18Å; L63-F66 WeakPolarHBondContact O-CD2 3.35Å; D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 2.91Å; F66-L98 HydrophobicContact CE1-CB 3.75Å; F66-L98 HydrophobicContact CE1-CD2 3.98Å; F66-L98 HydrophobicContact CE1-CG 4.36Å; F66-L98 HydrophobicContact CE2-CD2 3.8Å; F66-L98 HydrophobicContact CZ-CB 3.95Å; F66-L98 HydrophobicContact CZ-CD2 3.42Å; F66-L98 VanDerWaalsContact CZ-CD2 3.42Å; F66-L98 HydrophobicContact CZ-CG 4.25Å
67	D	40.4	Very low	46.2	Very low	140 Å²	140	95.3 Å²	95.3	75%	0.749	47%	0.472	S	S	*	.	S	Bend	trans	-80.5	134.2	180	-77.1	-62.8	0	0	0	112.1	K48	K48-D67 IonicContact NZ-OD2 2.92Å; K48-D67 PolarHBondContact NZ-OD2 3.4Å
68	G	44.8	Very low	46	Very low	81 Å²	81	90.3 Å²	90.3	84%	0.835	45%	0.451	S	S	*	.	S	Bend	trans	110.2	-2.8	159.3	0	0	0	0	0	118.7
69	I	44.7	Very low	46	Very low	93 Å²	93	95.3 Å²	95.3	48%	0.477	47%	0.47	S	S	.	.			trans	-136.6	137.7	176	-62.1	180	0	0	0	110	E73 A74	I69-E73 HydrophobicContact CG2-CB 3.77Å; I69-E73 HydrophobicContact CG2-CG 4.2Å; I69-A74 HydrophobicContact CG2-CB 4.23Å
70	S	50.6	Low	45.8	Very low	61 Å²	61	99 Å²	99	43%	0.427	49%	0.49	S	S	.	.			trans	-71.6	148.4	174.2	75.6	0	0	0	0	111.9	K72 E73 A74	S70-K72 PolarHBondContact O-N 2.96Å; S70-K72 VanDerWaalsContact O-N 3.14Å; S70-E73 WeakPolarHBondContact O-CB 3.46Å; S70-E73 PolarHBondContact O-N 2.87Å; S70-E73 WeakPolarHBondContact OG-CB 3Å; S70-A74 PolarHBondContact O-N 3.35Å
71	E	47	Very low	45.5	Very low	125 Å²	125	94.2 Å²	94.2	58%	0.584	47%	0.473	S	S	*	.	H	α-helix	trans	-49.1	-42.8	178.1	-172.4	-164.7	141.2	0	0	113.3	E73 A74 K75 M131	E71-E73 VanDerWaalsContact C-N 3.31Å; E71-E73 PolarHBondContact O-N 3.14Å; E71-A74 PolarHBondContact O-N 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.39Å; E71-K75 PolarHBondContact O-N 3Å; E71-M131 HydrophobicContact CG-CE 3.26Å; E71-M131 WeakPolarHBondContact OE1-CE 3.4Å
72	K	52.7	Low	45.1	Very low	175 Å²	175	98.3 Å²	98.3	76%	0.761	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-37.8	-179.4	-174.4	178.9	-179.4	-179.3	0	112.2	S70 K76	S70-K72 PolarHBondContact O-N 2.96Å; S70-K72 VanDerWaalsContact O-N 3.14Å; K72-K76 PolarHBondContact O-N 3.11Å; K72-K76 VanDerWaalsContact O-N 3.17Å
73	E	49.7	Very low	44.8	Very low	108 Å²	108	95.5 Å²	95.5	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-75.4	-45.2	-177.7	-158.3	136	-148.2	0	0	109.8	I69 S70 E71 K75 K76 H77	I69-E73 HydrophobicContact CG2-CB 3.77Å; I69-E73 HydrophobicContact CG2-CG 4.2Å; S70-E73 WeakPolarHBondContact O-CB 3.46Å; S70-E73 PolarHBondContact O-N 2.87Å; S70-E73 WeakPolarHBondContact OG-CB 3Å; E71-E73 VanDerWaalsContact C-N 3.31Å; E71-E73 PolarHBondContact O-N 3.14Å; E73-K75 VanDerWaalsContact C-N 3.28Å; E73-K75 PolarHBondContact O-N 3.45Å; E73-K76 PolarHBondContact O-N 3.41Å; E73-H77 PolarHBondContact O-CD2 3.31Å; E73-H77 PolarHBondContact O-N 3.49Å
74	A	47.4	Very low	44.6	Very low	13 Å²	13	93.4 Å²	93.4	11%	0.107	48%	0.481	C	S	.	.	H	α-helix	trans	-55.4	-41.4	171.7	0	0	0	0	0	112.6	I69 S70 E71 H77 C78	I69-A74 HydrophobicContact CG2-CB 4.23Å; S70-A74 PolarHBondContact O-N 3.35Å; E71-A74 PolarHBondContact O-N 3.31Å; A74-H77 PolarHBondContact O-N 3.3Å; A74-C78 PolarHBondContact O-N 3.39Å
75	K	47.4	Very low	44.5	Very low	147 Å²	147	87.9 Å²	87.9	64%	0.639	45%	0.452	S	S	*	.	H	α-helix	trans	-63.9	-43.8	176.9	-172.7	177.4	-176.8	175.7	0	113	E71 E73 H77 M79	E71-K75 WeakPolarHBondContact O-CB 3.39Å; E71-K75 PolarHBondContact O-N 3Å; E73-K75 VanDerWaalsContact C-N 3.28Å; E73-K75 PolarHBondContact O-N 3.45Å; K75-H77 VanDerWaalsContact C-N 3.28Å; K75-H77 PolarHBondContact O-N 3.37Å; K75-M79 WeakPolarHBondContact O-CG 3.16Å; K75-M79 PolarHBondContact O-N 2.98Å
76	K	50	Low	44.4	Very low	141 Å²	141	82.3 Å²	82.3	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-61.7	-40.1	175.4	-173.9	-179.4	176.8	-173.5	0	110.4	K72 E73 I80	K72-K76 PolarHBondContact O-N 3.11Å; K72-K76 VanDerWaalsContact O-N 3.17Å; E73-K76 PolarHBondContact O-N 3.41Å; K76-I80 HydrophobicContact CG-CD1 3.8Å; K76-I80 WeakPolarHBondContact O-CD1 3.14Å; K76-I80 WeakPolarHBondContact O-CG1 2.93Å; K76-I80 PolarHBondContact O-N 3.41Å
77	H	44.8	Very low	44.3	Very low	44 Å²	44	81.3 Å²	81.3	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-74.4	-43.5	-178.2	-68.1	-62.9	0	0	0	114.1	E73 A74 K75 M79 I80 N81	E73-H77 PolarHBondContact O-CD2 3.31Å; E73-H77 PolarHBondContact O-N 3.49Å; A74-H77 PolarHBondContact O-N 3.3Å; K75-H77 VanDerWaalsContact C-N 3.28Å; K75-H77 PolarHBondContact O-N 3.37Å; H77-M79 VanDerWaalsContact C-N 3.35Å; H77-M79 PolarHBondContact O-N 3.25Å; H77-I80 PolarHBondContact O-N 3.45Å; H77-N81 PolarHBondContact O-N 3.27Å
78	C	42.6	Very low	44.4	Very low	24 Å²	24	75.4 Å²	75.4	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-61	-41.1	177.1	-177.9	0	0	0	0	112.1	A74 I80 C126	A74-C78 PolarHBondContact O-N 3.39Å; C78-I80 PolarHBondContact O-N 2.99Å; C78-C126 WeakPolarHBondContact CB-SG 2.8Å; C78-C126 WeakPolarHBondContact SG-CB 3.37Å; C78-C126 CovalentContact SG-SG 2.09Å; C78-C126 PolarHBondContact SG-SG 3.14Å
79	M	42.4	Very low	44	Very low	162 Å²	162	75.6 Å²	75.6	80%	0.798	37%	0.374	S	S	*	.	H	α-helix	trans	-71.8	-28.1	-175	-73.4	-98.6	-61	0	0	114.1	K75 H77	K75-M79 WeakPolarHBondContact O-CG 3.16Å; K75-M79 PolarHBondContact O-N 2.98Å; H77-M79 VanDerWaalsContact C-N 3.35Å; H77-M79 PolarHBondContact O-N 3.25Å
80	I	42.9	Very low	43.8	Very low	123 Å²	123	72.8 Å²	72.8	63%	0.631	36%	0.36	S	S	*	.	H	α-helix	trans	-84	-33.2	-177.1	-67.3	169.9	0	0	0	110.7	K76 H77 C78	K76-I80 HydrophobicContact CG-CD1 3.8Å; K76-I80 WeakPolarHBondContact O-CD1 3.14Å; K76-I80 WeakPolarHBondContact O-CG1 2.93Å; K76-I80 PolarHBondContact O-N 3.41Å; H77-I80 PolarHBondContact O-N 3.45Å; C78-I80 PolarHBondContact O-N 2.99Å
81	N	39.9	Very low	43.1	Very low	28 Å²	28	79 Å²	79	15%	0.15	37%	0.374	C	S	.	.			trans	-145.5	105.4	-175.8	-164	-23.6	0	0	0	111.5	H77 L83 C84 F103	H77-N81 PolarHBondContact O-N 3.27Å; N81-L83 PolarHBondContact O-N 3.24Å; N81-L83 WeakPolarHBondContact OD1-CB 3.14Å; N81-L83 WeakPolarHBondContact OD1-CD1 3.48Å; N81-L83 VanDerWaalsContact OD1-CG 3.25Å; N81-L83 WeakPolarHBondContact OD1-CG 3.41Å; N81-L83 PolarHBondContact OD1-N 2.65Å; N81-L83 VanDerWaalsContact OD1-N 3.08Å; N81-C84 PolarHBondContact O-N 2.94Å; N81-C84 PolarHBondContact O-SG 3.31Å; N81-F103 WeakPolarHBondContact ND2-CB 3.19Å
82	P	39.5	Very low	42.8	Very low	104 Å²	104	81.2 Å²	81.2	68%	0.675	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-1.8	178.3	26.4	-32.7	0	0	0	113.9	C84	P82-C84 PolarHBondContact O-N 3.1Å
83	L	41.4	Very low	42.4	Very low	45 Å²	45	75.7 Å²	75.7	24%	0.236	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.2	174.9	-61.4	168.6	0	0	0	114	N81 N85 F103 M221	N81-L83 PolarHBondContact O-N 3.24Å; N81-L83 WeakPolarHBondContact OD1-CB 3.14Å; N81-L83 WeakPolarHBondContact OD1-CD1 3.48Å; N81-L83 VanDerWaalsContact OD1-CG 3.25Å; N81-L83 WeakPolarHBondContact OD1-CG 3.41Å; N81-L83 PolarHBondContact OD1-N 2.65Å; N81-L83 VanDerWaalsContact OD1-N 3.08Å; L83-N85 VanDerWaalsContact C-N 3.27Å; L83-N85 PolarHBondContact O-N 3.48Å; L83-F103 HydrophobicContact CB-CB 4.43Å; L83-F103 HydrophobicContact CD1-CB 3.86Å; L83-F103 HydrophobicContact CD1-CD2 4.01Å; L83-F103 HydrophobicContact CD1-CG 3.92Å; L83-M221 HydrophobicContact CD1-CE 4.35Å
84	C	36.1	Very low	42.1	Very low	3 Å²	3	75.3 Å²	75.3	2%	0.02	35%	0.354	C	S	.	.			trans	-68.6	-7.6	-164.4	-77.1	0	0	0	0	117.1	N81 P82 F100 A101	N81-C84 PolarHBondContact O-N 2.94Å; N81-C84 PolarHBondContact O-SG 3.31Å; P82-C84 PolarHBondContact O-N 3.1Å; C84-F100 VanDerWaalsContact O-CA 3.26Å; C84-F100 WeakPolarHBondContact O-CA 2.99Å; C84-A101 WeakPolarHBondContact CA-O 3.3Å; C84-A101 PolarHBondContact O-N 3.41Å; C84-A101 VanDerWaalsContact O-N 3.13Å; C84-A101 PolarHBondContact SG-O 2.86Å; C84-A101 VanDerWaalsContact SG-O 3.35Å
85	N	41.6	Very low	41.7	Very low	17 Å²	17	75 Å²	75	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	87.1	-164.9	-59.5	-35.6	0	0	0	113.4	L83 L98 Y99 F100 C124	L83-N85 VanDerWaalsContact C-N 3.27Å; L83-N85 PolarHBondContact O-N 3.48Å; N85-L98 HydrophobicContact CB-CD1 3.83Å; N85-Y99 VanDerWaalsContact CA-O 3.3Å; N85-Y99 WeakPolarHBondContact CA-O 3.4Å; N85-F100 WeakPolarHBondContact OD1-CD1 3.26Å; N85-F100 WeakPolarHBondContact OD1-CE1 3.23Å; N85-C124 HydrophobicContact CB-CB 3.91Å; N85-C124 WeakPolarHBondContact CB-SG 3.45Å
86	I	42	Very low	41.5	Very low	54 Å²	54	68.3 Å²	68.3	28%	0.277	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.1	166	-54.2	176.3	0	0	0	107.8	L88 Y99 Y113 L164	I86-L88 HydrophobicContact CG2-CD2 4.38Å; I86-Y99 PolarHBondContact O-N 3.17Å; I86-Y113 HydrophobicContact CD1-CD2 4.45Å; I86-L164 HydrophobicContact CB-CD1 3.68Å; I86-L164 HydrophobicContact CD1-CD1 4.41Å; I86-L164 HydrophobicContact CG2-CD1 3.43Å; I86-L164 VanDerWaalsContact CG2-CD1 3.43Å
87	I	41.8	Very low	41.1	Very low	19 Å²	19	62.4 Å²	62.4	10%	0.097	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.2	177.4	-52.5	169.6	0	0	0	108.9	V97 L98 M122 C124 L133 V135	I87-V97 WeakPolarHBondContact CA-O 3.08Å; I87-L98 HydrophobicContact CD1-CD1 3.98Å; I87-L98 HydrophobicContact CG1-CD1 3.52Å; I87-M122 HydrophobicContact CB-CB 3.99Å; I87-M122 HydrophobicContact CB-CG 4.36Å; I87-M122 HydrophobicContact CB-SD 3.42Å; I87-M122 WeakPolarHBondContact CB-SD 3.39Å; I87-M122 HydrophobicContact CD1-CB 3.7Å; I87-M122 HydrophobicContact CD1-CG 4.44Å; I87-M122 HydrophobicContact CD1-SD 4.02Å; I87-M122 HydrophobicContact CG1-CB 4.27Å; I87-M122 HydrophobicContact CG1-SD 4.3Å; I87-M122 HydrophobicContact CG2-CE 4.21Å; I87-M122 HydrophobicContact CG2-SD 3.13Å; I87-M122 WeakPolarHBondContact CG2-SD 3.46Å; I87-C124 VanDerWaalsContact CD1-SG 3.53Å; I87-L133 HydrophobicContact CD1-CD2 4.45Å; I87-V135 HydrophobicContact CD1-CB 4.09Å; I87-V135 HydrophobicContact CD1-CG1 3.51Å; I87-V135 HydrophobicContact CD1-CG2 3.56Å
88	L	43.8	Very low	40.9	Very low	16 Å²	16	61.2 Å²	61.2	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.2	175	-62	-178.6	0	0	0	110.4	I86 S96 V97 Y99 I162 L164	I86-L88 HydrophobicContact CG2-CD2 4.38Å; L88-S96 CarbonylContact O-C 3.56Å; L88-S96 WeakPolarHBondContact O-CA 3.43Å; L88-S96 WeakPolarHBondContact O-CB 3.47Å; L88-S96 PolarHBondContact O-OG 2.94Å; L88-S96 VanDerWaalsContact O-OG 3.07Å; L88-V97 PolarHBondContact N-O 2.81Å; L88-V97 PolarHBondContact O-N 3.1Å; L88-V97 VanDerWaalsContact O-N 3.1Å; L88-Y99 HydrophobicContact CD1-CE2 4.13Å; L88-I162 WeakPolarHBondContact CD1-O 3.43Å; L88-I162 HydrophobicContact CD2-CB 4Å; L88-I162 HydrophobicContact CD2-CG2 3.64Å; L88-L164 HydrophobicContact CD1-CB 3.39Å; L88-L164 HydrophobicContact CD1-CD1 3.8Å; L88-L164 HydrophobicContact CD1-CG 3.88Å; L88-L164 HydrophobicContact CD2-CD1 3.85Å; L88-L164 HydrophobicContact CD2-CG 4.45Å; L88-L164 HydrophobicContact CG-CB 4.3Å; L88-L164 HydrophobicContact CG-CD1 3.78Å; L88-L164 HydrophobicContact CG-CG 4.39Å
89	W	36.6	Very low	41	Very low	86 Å²	86	61 Å²	61	33%	0.326	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120	174.1	179.1	61.2	0	0	0	109.7	R91	W89-R91 HydrophobicContact CE3-CB 4.34Å; W89-R91 HydrophobicContact CH2-CB 3.8Å; W89-R91 HydrophobicContact CH2-CG 3.5Å; W89-R91 VanDerWaalsContact CH2-CG 3.5Å; W89-R91 HydrophobicContact CZ2-CB 4.05Å; W89-R91 HydrophobicContact CZ2-CG 3.87Å; W89-R91 HydrophobicContact CZ3-CB 3.95Å; W89-R91 HydrophobicContact CZ3-CG 4.05Å
90	N	39.3	Very low	40.8	Very low	34 Å²	34	55.6 Å²	55.6	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.6	169.6	179.3	-19.9	0	0	0	109	Y92 N93 K94 T95	N90-Y92 VanDerWaalsContact C-N 3.31Å; N90-Y92 PolarHBondContact O-N 3.17Å; N90-Y92 PolarHBondContact OD1-N 3.14Å; N90-N93 WeakPolarHBondContact CB-OD1 3.13Å; N90-N93 PolarHBondContact ND2-ND2 3.05Å; N90-N93 PolarHBondContact ND2-OD1 3.33Å; N90-N93 PolarHBondContact O-OD1 3.42Å; N90-N93 PolarHBondContact OD1-N 3.49Å; N90-N93 PolarHBondContact OD1-OD1 2.99Å; N90-K94 WeakPolarHBondContact O-CA 3.42Å; N90-K94 PolarHBondContact O-N 3.02Å; N90-T95 PolarHBondContact N-O 2.09Å; N90-T95 PolarHBondContact O-N 3.28Å; N90-T95 VanDerWaalsContact O-N 3.17Å
91	R	37.2	Very low	40.8	Very low	190 Å²	190	50.2 Å²	50.2	72%	0.717	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.1	-178.5	-170.7	174.2	-161.3	-178.5	7.1	113.8	W89	W89-R91 HydrophobicContact CE3-CB 4.34Å; W89-R91 HydrophobicContact CH2-CB 3.8Å; W89-R91 HydrophobicContact CH2-CG 3.5Å; W89-R91 VanDerWaalsContact CH2-CG 3.5Å; W89-R91 HydrophobicContact CZ2-CB 4.05Å; W89-R91 HydrophobicContact CZ2-CG 3.87Å; W89-R91 HydrophobicContact CZ3-CB 3.95Å; W89-R91 HydrophobicContact CZ3-CG 4.05Å
92	Y	39.8	Very low	40.8	Very low	173 Å²	173	53.3 Å²	53.3	68%	0.678	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-46.7	-174	-173.8	-95.7	0	0	0	111.9	N90	N90-Y92 VanDerWaalsContact C-N 3.31Å; N90-Y92 PolarHBondContact O-N 3.17Å; N90-Y92 PolarHBondContact OD1-N 3.14Å
93	N	43.9	Very low	41	Very low	59 Å²	59	49.4 Å²	49.4	32%	0.316	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0	178.4	67.7	0.6	0	0	0	113.4	Q51 N90 T95	Q51-N93 PolarHBondContact NE2-O 3.49Å; Q51-N93 VanDerWaalsContact NE2-O 3.1Å; Q51-N93 PolarHBondContact OE1-O 2.85Å; N90-N93 WeakPolarHBondContact CB-OD1 3.13Å; N90-N93 PolarHBondContact ND2-ND2 3.05Å; N90-N93 PolarHBondContact ND2-OD1 3.33Å; N90-N93 PolarHBondContact O-OD1 3.42Å; N90-N93 PolarHBondContact OD1-N 3.49Å; N90-N93 PolarHBondContact OD1-OD1 2.99Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 HydrophobicContact CB-CG2 4.2Å; N93-T95 PolarHBondContact ND2-OG1 3.48Å; N93-T95 WeakPolarHBondContact O-CG2 3.49Å; N93-T95 PolarHBondContact O-N 2.92Å; N93-T95 WeakPolarHBondContact OD1-CB 3.5Å; N93-T95 WeakPolarHBondContact OD1-CG2 3.44Å; N93-T95 PolarHBondContact OD1-N 3.29Å; N93-T95 VanDerWaalsContact OD1-N 3.13Å; N93-T95 PolarHBondContact OD1-OG1 3.42Å
94	K	44	Very low	40.9	Very low	100 Å²	100	51.7 Å²	51.7	44%	0.435	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	35.5	-177	-57.1	-179.6	-177.4	174.6	0	114	Q51 L52 N54 N90	Q51-K94 PolarHBondContact OE1-O 3.1Å; L52-K94 PolarHBondContact N-O 3.46Å; N54-K94 WeakPolarHBondContact ND2-CE 3.07Å; N90-K94 WeakPolarHBondContact O-CA 3.42Å; N90-K94 PolarHBondContact O-N 3.02Å
95	T	38.9	Very low	41.1	Very low	5 Å²	5	53.3 Å²	53.3	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.1	-175.1	66.9	0	0	0	0	113.5	V49 I50 Q51 N90 N93	V49-T95 HydrophobicContact CB-CG2 4.49Å; V49-T95 HydrophobicContact CG1-CG2 3.03Å; V49-T95 WeakPolarHBondContact CG1-OG1 3.27Å; I50-T95 CarbonylContact O-C 3.56Å; I50-T95 WeakPolarHBondContact O-CA 3.2Å; I50-T95 WeakPolarHBondContact O-CB 3.43Å; Q51-T95 HydrophobicContact CG-CG2 4.06Å; N90-T95 PolarHBondContact N-O 2.09Å; N90-T95 PolarHBondContact O-N 3.28Å; N90-T95 VanDerWaalsContact O-N 3.17Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 HydrophobicContact CB-CG2 4.2Å; N93-T95 PolarHBondContact ND2-OG1 3.48Å; N93-T95 WeakPolarHBondContact O-CG2 3.49Å; N93-T95 PolarHBondContact O-N 2.92Å; N93-T95 WeakPolarHBondContact OD1-CB 3.5Å; N93-T95 WeakPolarHBondContact OD1-CG2 3.44Å; N93-T95 PolarHBondContact OD1-N 3.29Å; N93-T95 VanDerWaalsContact OD1-N 3.13Å; N93-T95 PolarHBondContact OD1-OG1 3.42Å
96	S	43.2	Very low	41.2	Very low	7 Å²	7	53.7 Å²	53.7	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.2	173.1	-75.1	0	0	0	0	112.6	I50 L52 L88	I50-S96 WeakPolarHBondContact CB-O 3.4Å; I50-S96 PolarHBondContact N-O 3.15Å; I50-S96 PolarHBondContact O-N 3.17Å; L52-S96 WeakPolarHBondContact CD1-OG 3.37Å; L88-S96 CarbonylContact O-C 3.56Å; L88-S96 WeakPolarHBondContact O-CA 3.43Å; L88-S96 WeakPolarHBondContact O-CB 3.47Å; L88-S96 PolarHBondContact O-OG 2.94Å; L88-S96 VanDerWaalsContact O-OG 3.07Å
97	V	40.9	Very low	41.1	Very low	17 Å²	17	52.5 Å²	52.5	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.5	175.1	-170.2	0	0	0	0	108.2	I46 K48 I87 L88 Y99	I46-V97 HydrophobicContact CG2-CG2 4.33Å; K48-V97 WeakPolarHBondContact O-CG1 3.29Å; K48-V97 WeakPolarHBondContact O-CG2 3.14Å; I87-V97 WeakPolarHBondContact CA-O 3.08Å; L88-V97 PolarHBondContact N-O 2.81Å; L88-V97 PolarHBondContact O-N 3.1Å; L88-V97 VanDerWaalsContact O-N 3.1Å; V97-Y99 HydrophobicContact CB-CE2 3.85Å; V97-Y99 HydrophobicContact CG1-CD2 4.05Å; V97-Y99 HydrophobicContact CG1-CE1 4.33Å; V97-Y99 HydrophobicContact CG1-CE2 3.33Å; V97-Y99 VanDerWaalsContact CG1-CZ 3.48Å
98	L	41.1	Very low	41	Very low	19 Å²	19	55.6 Å²	55.6	10%	0.099	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.7	175.7	175.6	68.4	0	0	0	108.8	F66 N85 I87 F100 L133	F66-L98 HydrophobicContact CE1-CB 3.75Å; F66-L98 HydrophobicContact CE1-CD2 3.98Å; F66-L98 HydrophobicContact CE1-CG 4.36Å; F66-L98 HydrophobicContact CE2-CD2 3.8Å; F66-L98 HydrophobicContact CZ-CB 3.95Å; F66-L98 HydrophobicContact CZ-CD2 3.42Å; F66-L98 VanDerWaalsContact CZ-CD2 3.42Å; F66-L98 HydrophobicContact CZ-CG 4.25Å; N85-L98 HydrophobicContact CB-CD1 3.83Å; I87-L98 HydrophobicContact CD1-CD1 3.98Å; I87-L98 HydrophobicContact CG1-CD1 3.52Å; L98-F100 HydrophobicContact CD2-CE2 3.67Å; L98-F100 HydrophobicContact CD2-CZ 3.65Å; L98-F100 HydrophobicContact CG-CE2 4.04Å; L98-F100 HydrophobicContact CG-CZ 4.25Å; L98-L133 HydrophobicContact CD1-CD2 4.04Å; L98-L133 HydrophobicContact CD2-CD1 4.2Å; L98-L133 HydrophobicContact CD2-CD2 3.98Å
99	Y	43.7	Very low	40.6	Very low	20 Å²	20	60.6 Å²	60.6	8%	0.078	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.7	174.8	-68.9	-86.7	0	0	0	110	L47 N85 I86 L88 V97 L164	L47-Y99 HydrophobicContact CB-CE1 4.36Å; L47-Y99 HydrophobicContact CD1-CD1 3.88Å; L47-Y99 HydrophobicContact CD1-CE1 3.43Å; L47-Y99 VanDerWaalsContact CD1-CE1 3.43Å; L47-Y99 HydrophobicContact CG-CE1 3.97Å; N85-Y99 VanDerWaalsContact CA-O 3.3Å; N85-Y99 WeakPolarHBondContact CA-O 3.4Å; I86-Y99 PolarHBondContact O-N 3.17Å; L88-Y99 HydrophobicContact CD1-CE2 4.13Å; V97-Y99 HydrophobicContact CB-CE2 3.85Å; V97-Y99 HydrophobicContact CG1-CD2 4.05Å; V97-Y99 HydrophobicContact CG1-CE1 4.33Å; V97-Y99 HydrophobicContact CG1-CE2 3.33Å; V97-Y99 VanDerWaalsContact CG1-CZ 3.48Å; Y99-L164 HydrophobicContact CD2-CB 3.92Å; Y99-L164 HydrophobicContact CD2-CD1 3.93Å; Y99-L164 HydrophobicContact CD2-CG 4.49Å; Y99-L164 HydrophobicContact CE2-CB 3.47Å; Y99-L164 VanDerWaalsContact CE2-CB 3.47Å; Y99-L164 HydrophobicContact CE2-CD1 4.26Å; Y99-L164 HydrophobicContact CE2-CG 4.47Å; Y99-L164 PolarHBondContact OH-O 3.02Å
100	F	39.9	Very low	40.4	Very low	48 Å²	48	58.3 Å²	58.3	21%	0.211	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.9	166.1	-66.7	-86.7	0	0	0	108.6	L63 C84 N85 L98 L133	L63-F100 HydrophobicContact CD2-CE1 4Å; L63-F100 HydrophobicContact CD2-CE2 4.2Å; L63-F100 HydrophobicContact CD2-CZ 3.32Å; C84-F100 VanDerWaalsContact O-CA 3.26Å; C84-F100 WeakPolarHBondContact O-CA 2.99Å; N85-F100 WeakPolarHBondContact OD1-CD1 3.26Å; N85-F100 WeakPolarHBondContact OD1-CE1 3.23Å; L98-F100 HydrophobicContact CD2-CE2 3.67Å; L98-F100 HydrophobicContact CD2-CZ 3.65Å; L98-F100 HydrophobicContact CG-CE2 4.04Å; L98-F100 HydrophobicContact CG-CZ 4.25Å; F100-L133 HydrophobicContact CE1-CD1 4Å; F100-L133 HydrophobicContact CZ-CD1 3.89Å
101	A	41.8	Very low	40.2	Very low	11 Å²	11	58 Å²	58	9%	0.091	27%	0.265	C	S	.	.			trans	-150.1	137.8	170.3	0	0	0	0	0	111	C84 I106	C84-A101 WeakPolarHBondContact CA-O 3.3Å; C84-A101 PolarHBondContact O-N 3.41Å; C84-A101 VanDerWaalsContact O-N 3.13Å; C84-A101 PolarHBondContact SG-O 2.86Å; C84-A101 VanDerWaalsContact SG-O 3.35Å; A101-I106 HydrophobicContact CB-CD1 4.07Å; A101-I106 HydrophobicContact CB-CG1 3.4Å
102	R	40.5	Very low	40	Very low	93 Å²	93	49 Å²	49	35%	0.351	23%	0.231	S	C	.	.			trans	-57.6	143.2	169.8	-66.2	-173.1	-77.9	156.2	-6.4	108.5	E104 E105 I106	R102-E104 IonicContact NH1-OE2 3.55Å; R102-E104 PolarHBondContact NH1-OE2 3.48Å; R102-E104 PolarHBondContact O-N 3.17Å; R102-E105 HydrophobicContact CB-CB 3.94Å; R102-E105 HydrophobicContact CB-CG 3.87Å; R102-E105 HydrophobicContact CG-CG 4.38Å; R102-E105 WeakPolarHBondContact CG-OE2 3.34Å; R102-E105 IonicContact CZ-OE1 3.2Å; R102-E105 PolarHBondContact N-OE2 3.39Å; R102-E105 IonicContact NE-OE1 2.68Å; R102-E105 PolarHBondContact NE-OE1 3.4Å; R102-E105 IonicContact NE-OE2 2.8Å; R102-E105 PolarHBondContact NE-OE2 3.49Å; R102-E105 IonicContact NH2-OE1 2.93Å; R102-E105 PolarHBondContact NH2-OE1 3.46Å; R102-E105 CarbonylContact O-C 3.53Å; R102-E105 VanDerWaalsContact O-CA 3.32Å; R102-E105 WeakPolarHBondContact O-CA 3.14Å; R102-E105 WeakPolarHBondContact O-CB 3.49Å; R102-E105 PolarHBondContact O-N 3.47Å; R102-I106 WeakPolarHBondContact O-CG1 3.03Å; R102-I106 PolarHBondContact O-N 3.37Å
103	F	43	Very low	39.9	Very low	21 Å²	21	45.4 Å²	45.4	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-52.3	-43.6	174.1	178.9	-105.4	0	0	0	112	N81 L83 E105 I106 M107 R218 M221	N81-F103 WeakPolarHBondContact ND2-CB 3.19Å; L83-F103 HydrophobicContact CB-CB 4.43Å; L83-F103 HydrophobicContact CD1-CB 3.86Å; L83-F103 HydrophobicContact CD1-CD2 4.01Å; L83-F103 HydrophobicContact CD1-CG 3.92Å; F103-E105 VanDerWaalsContact C-N 3.28Å; F103-E105 PolarHBondContact O-N 2.92Å; F103-I106 PolarHBondContact O-N 3.02Å; F103-M107 HydrophobicContact CE1-CG 4.12Å; F103-M107 HydrophobicContact CE2-CG 4.07Å; F103-M107 HydrophobicContact CE2-SD 4.33Å; F103-M107 HydrophobicContact CZ-CG 3.86Å; F103-M107 HydrophobicContact CZ-SD 4.26Å; F103-M107 VanDerWaalsContact O-CG 3.32Å; F103-M107 WeakPolarHBondContact O-CG 3.06Å; F103-M107 PolarHBondContact O-N 2.84Å; F103-R218 HydrophobicContact CE1-CG 4.35Å; F103-R218 HydrophobicContact CZ-CG 4.04Å; F103-M221 HydrophobicContact CD2-CE 3.97Å; F103-M221 HydrophobicContact CD2-SD 3.79Å; F103-M221 HydrophobicContact CE1-CE 4.2Å; F103-M221 HydrophobicContact CE2-CE 3.31Å; F103-M221 HydrophobicContact CE2-SD 3.23Å; F103-M221 WeakPolarHBondContact CE2-SD 3.44Å; F103-M221 HydrophobicContact CZ-CE 3.44Å; F103-M221 VanDerWaalsContact CZ-CE 3.44Å; F103-M221 HydrophobicContact CZ-SD 3.98Å
104	E	40.7	Very low	39.4	Very low	94 Å²	94	43.3 Å²	43.3	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-57.2	-37.3	171.6	-64.8	147.9	-154.6	0	0	112.8	R102 S108	R102-E104 IonicContact NH1-OE2 3.55Å; R102-E104 PolarHBondContact NH1-OE2 3.48Å; R102-E104 PolarHBondContact O-N 3.17Å; E104-S108 WeakPolarHBondContact O-CB 3.47Å; E104-S108 PolarHBondContact O-N 3.4Å; E104-S108 PolarHBondContact O-OG 3.49Å
105	E	40.2	Very low	39	Very low	36 Å²	36	40.7 Å²	40.7	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-76.6	-37	176.8	-74.1	173.9	161.9	0	0	112.7	R102 F103 M107 S108 K109 Y111	R102-E105 HydrophobicContact CB-CB 3.94Å; R102-E105 HydrophobicContact CB-CG 3.87Å; R102-E105 HydrophobicContact CG-CG 4.38Å; R102-E105 WeakPolarHBondContact CG-OE2 3.34Å; R102-E105 IonicContact CZ-OE1 3.2Å; R102-E105 PolarHBondContact N-OE2 3.39Å; R102-E105 IonicContact NE-OE1 2.68Å; R102-E105 PolarHBondContact NE-OE1 3.4Å; R102-E105 IonicContact NE-OE2 2.8Å; R102-E105 PolarHBondContact NE-OE2 3.49Å; R102-E105 IonicContact NH2-OE1 2.93Å; R102-E105 PolarHBondContact NH2-OE1 3.46Å; R102-E105 CarbonylContact O-C 3.53Å; R102-E105 VanDerWaalsContact O-CA 3.32Å; R102-E105 WeakPolarHBondContact O-CA 3.14Å; R102-E105 WeakPolarHBondContact O-CB 3.49Å; R102-E105 PolarHBondContact O-N 3.47Å; F103-E105 VanDerWaalsContact C-N 3.28Å; F103-E105 PolarHBondContact O-N 2.92Å; E105-M107 PolarHBondContact O-N 3.27Å; E105-S108 WeakPolarHBondContact CA-OG 3.26Å; E105-S108 PolarHBondContact O-N 3.01Å; E105-K109 WeakPolarHBondContact O-CA 2.83Å; E105-K109 VanDerWaalsContact O-CB 3.31Å; E105-K109 WeakPolarHBondContact O-CB 3.23Å; E105-K109 PolarHBondContact O-N 3.42Å; E105-Y111 WeakPolarHBondContact O-CD2 3.33Å
106	I	42.4	Very low	38.7	Very low	25 Å²	25	46.5 Å²	46.5	13%	0.128	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-43.2	172.3	-64.7	172.7	0	0	0	108.9	A101 R102 F103	A101-I106 HydrophobicContact CB-CD1 4.07Å; A101-I106 HydrophobicContact CB-CG1 3.4Å; R102-I106 WeakPolarHBondContact O-CG1 3.03Å; R102-I106 PolarHBondContact O-N 3.37Å; F103-I106 PolarHBondContact O-N 3.02Å
107	M	39.6	Very low	38.3	Very low	30 Å²	30	47.2 Å²	47.2	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-78.7	-36	179.8	-62.1	-61	-67.5	0	0	113.2	W38 W39 F103 E105 E214	W38-M107 WeakPolarHBondContact CH2-O 3.49Å; W38-M107 VanDerWaalsContact CZ2-O 3.27Å; W38-M107 WeakPolarHBondContact CZ2-O 3.32Å; W39-M107 HydrophobicContact CH2-CE 3.87Å; W39-M107 HydrophobicContact CH2-SD 3.6Å; W39-M107 VanDerWaalsContact CH2-SD 3.6Å; W39-M107 HydrophobicContact CZ3-CE 3.65Å; W39-M107 HydrophobicContact CZ3-SD 3.41Å; W39-M107 WeakPolarHBondContact CZ3-SD 3.5Å; F103-M107 HydrophobicContact CE1-CG 4.12Å; F103-M107 HydrophobicContact CE2-CG 4.07Å; F103-M107 HydrophobicContact CE2-SD 4.33Å; F103-M107 HydrophobicContact CZ-CG 3.86Å; F103-M107 HydrophobicContact CZ-SD 4.26Å; F103-M107 VanDerWaalsContact O-CG 3.32Å; F103-M107 WeakPolarHBondContact O-CG 3.06Å; F103-M107 PolarHBondContact O-N 2.84Å; E105-M107 PolarHBondContact O-N 3.27Å; M107-E214 HydrophobicContact CE-CB 4.18Å; M107-E214 HydrophobicContact CE-CG 4.41Å
108	S	40.2	Very low	37.9	Very low	84 Å²	84	57.2 Å²	57.2	59%	0.587	28%	0.275	S	S	*	.	H	α-helix	trans	-91.5	-22	-174.7	62	0	0	0	0	115.2	E104 E105	E104-S108 WeakPolarHBondContact O-CB 3.47Å; E104-S108 PolarHBondContact O-N 3.4Å; E104-S108 PolarHBondContact O-OG 3.49Å; E105-S108 WeakPolarHBondContact CA-OG 3.26Å; E105-S108 PolarHBondContact O-N 3.01Å
109	K	35	Very low	37.5	Very low	120 Å²	120	58.7 Å²	58.7	52%	0.522	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	62.3	-174.3	-66	-167.5	175.3	179.6	0	112.5	E105 Y111	E105-K109 WeakPolarHBondContact O-CA 2.83Å; E105-K109 VanDerWaalsContact O-CB 3.31Å; E105-K109 WeakPolarHBondContact O-CB 3.23Å; E105-K109 PolarHBondContact O-N 3.42Å; K109-Y111 HydrophobicContact CB-CD2 3.98Å; K109-Y111 HydrophobicContact CB-CE2 3.73Å; K109-Y111 WeakPolarHBondContact O-CD2 3.21Å; K109-Y111 VanDerWaalsContact O-CE2 3.27Å; K109-Y111 WeakPolarHBondContact O-CE2 3.46Å; K109-Y111 PolarHBondContact O-N 3.25Å
110	N	32.4	Very low	37.1	Very low	38 Å²	38	59.5 Å²	59.5	20%	0.203	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	33.4	165.3	-57.5	-30.1	0	0	0	116.2	A167	N110-A167 HydrophobicContact CB-CB 3.79Å; N110-A167 WeakPolarHBondContact O-CB 2.96Å; N110-A167 PolarHBondContact O-N 3.03Å
111	Y	36.5	Very low	36.9	Very low	29 Å²	29	58.6 Å²	58.6	11%	0.114	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-96.4	154	175.5	-68.3	-77	0	0	0	110.3	E105 K109 W166	E105-Y111 WeakPolarHBondContact O-CD2 3.33Å; K109-Y111 HydrophobicContact CB-CD2 3.98Å; K109-Y111 HydrophobicContact CB-CE2 3.73Å; K109-Y111 WeakPolarHBondContact O-CD2 3.21Å; K109-Y111 VanDerWaalsContact O-CE2 3.27Å; K109-Y111 WeakPolarHBondContact O-CE2 3.46Å; K109-Y111 PolarHBondContact O-N 3.25Å; Y111-W166 HydrophobicContact CE1-CD2 4.09Å; Y111-W166 AromaticContact CE1-CE3 3.95Å; Y111-W166 HydrophobicContact CE1-CE3 3.95Å; Y111-W166 HydrophobicContact CE1-CH2 4.42Å; Y111-W166 HydrophobicContact CE1-CZ3 4.15Å; Y111-W166 AromaticContact CZ-CE3 3.98Å; Y111-W166 AromaticContact CZ-CZ3 3.78Å; Y111-W166 WeakPolarHBondContact OH-CH2 3.41Å; Y111-W166 WeakPolarHBondContact OH-CZ3 3.49Å
112	V	33	Very low	36.7	Very low	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.295	C	S	.	.			trans	-130.2	126.9	-165.2	154.6	0	0	0	0	115	W39 Y42 Y44 L164	W39-V112 HydrophobicContact CB-CB 3.56Å; W39-V112 HydrophobicContact CB-CG1 3.67Å; W39-V112 HydrophobicContact CB-CG2 3.43Å; W39-V112 VanDerWaalsContact CB-CG2 3.43Å; W39-V112 WeakPolarHBondContact O-CG1 3.38Å; W39-V112 WeakPolarHBondContact O-CG2 3.44Å; Y42-V112 VanDerWaalsContact CB-CG2 3.44Å; Y42-V112 HydrophobicContact CD1-CG2 4.23Å; Y42-V112 HydrophobicContact CD2-CG2 3.19Å; Y42-V112 HydrophobicContact CE2-CG2 3.89Å; Y42-V112 HydrophobicContact CG-CG2 3.35Å; Y44-V112 HydrophobicContact CD1-CG1 4.44Å; Y44-V112 HydrophobicContact CE1-CB 4.23Å; Y44-V112 HydrophobicContact CE1-CG1 3.38Å; Y44-V112 WeakPolarHBondContact OH-CG1 3.47Å; V112-L164 WeakPolarHBondContact O-CD2 3.31Å; V112-L164 WeakPolarHBondContact O-CG 3.41Å
113	Y	36.6	Very low	36.6	Very low	98 Å²	98	59.3 Å²	59.3	38%	0.384	30%	0.299	S	S	.	.			trans	-100	163.8	167.9	174.8	-103.3	0	0	0	111.3	W39 I86 P115	W39-Y113 VanDerWaalsContact CG-N 3.26Å; W39-Y113 AromaticContact NE1-CD1 3.52Å; W39-Y113 AromaticContact NE1-CG 3.95Å; I86-Y113 HydrophobicContact CD1-CD2 4.45Å; Y113-P115 HydrophobicContact CE1-CB 4.12Å
114	S	33.2	Very low	36.5	Very low	15 Å²	15	59.7 Å²	59.7	11%	0.105	30%	0.304	C	S	.	.			trans	-144.2	116.2	174.9	179.3	0	0	0	0	111.5	T116 T117	S114-T116 PolarHBondContact OG-OG1 3.35Å; S114-T117 PolarHBondContact O-OG1 3.13Å
115	P	37.4	Very low	36.5	Very low	44 Å²	44	58.4 Å²	58.4	29%	0.286	30%	0.3	S	S	.	.	S	Bend	trans	-86.3	-4.1	-176.3	29.9	-28.8	0	0	0	114.5	H35 Y113 T117	H35-P115 HydrophobicContact CB-CG 4.26Å; H35-P115 WeakPolarHBondContact CD2-CG 2.87Å; H35-P115 VanDerWaalsContact CG-CG 3.47Å; H35-P115 WeakPolarHBondContact NE2-CG 3.27Å; Y113-P115 HydrophobicContact CE1-CB 4.12Å; P115-T117 PolarHBondContact O-N 3.06Å
116	T	31.5	Very low	36.5	Very low	128 Å²	128	60 Å²	60	79%	0.785	31%	0.314	S	S	*	.	S	Bend	trans	-76.8	16.9	179.3	38.1	0	0	0	0	114	S114	S114-T116 PolarHBondContact OG-OG1 3.35Å
117	T	34.8	Very low	36.4	Very low	21 Å²	21	60.7 Å²	60.7	13%	0.129	33%	0.328	C	S	.	.	S	Bend	trans	-120.7	123.6	-172.6	59.4	0	0	0	0	109.2	S114 P115 T119 T160 I162	S114-T117 PolarHBondContact O-OG1 3.13Å; P115-T117 PolarHBondContact O-N 3.06Å; T117-T119 PolarHBondContact O-N 3.4Å; T117-T119 WeakPolarHBondContact OG1-CG2 3.48Å; T117-T160 HydrophobicContact CG2-CG2 3.89Å; T117-I162 VanDerWaalsContact CB-CD1 3.42Å; T117-I162 HydrophobicContact CG2-CB 4.38Å; T117-I162 HydrophobicContact CG2-CD1 3.93Å; T117-I162 HydrophobicContact CG2-CG1 3.63Å; T117-I162 HydrophobicContact CG2-CG2 4.27Å; T117-I162 WeakPolarHBondContact OG1-CD1 3.48Å
118	R	32.1	Very low	36.6	Very low	228 Å²	228	68.8 Å²	68.8	86%	0.86	36%	0.363	S	S	*	.			trans	-71.5	72.2	173	-64.9	-176.5	-172.9	-172.6	1.2	108.8
119	T	34.3	Very low	36.5	Very low	50 Å²	50	71.4 Å²	71.4	31%	0.307	38%	0.375	S	S	.	.			trans	-73.3	144.7	-169	44.4	0	0	0	0	113.3	T117 P140 I162	T117-T119 PolarHBondContact O-N 3.4Å; T117-T119 WeakPolarHBondContact OG1-CG2 3.48Å; T119-P140 WeakPolarHBondContact O-CB 3.32Å; T119-P140 WeakPolarHBondContact O-CD 3.32Å; T119-P140 VanDerWaalsContact O-CG 3.26Å; T119-P140 WeakPolarHBondContact O-CG 3.4Å; T119-I162 HydrophobicContact CG2-CD1 3.15Å
120	T	34	Very low	36.7	Very low	37 Å²	37	68.2 Å²	68.2	23%	0.227	38%	0.376	C	S	.	.			trans	-85.4	108.1	158.4	-59	0	0	0	0	105.7	V137 I138 P140	T120-V137 HydrophobicContact CG2-CB 4.35Å; T120-V137 HydrophobicContact CG2-CG1 3.24Å; T120-I138 CarbonylContact C-O 3.4Å; T120-I138 WeakPolarHBondContact CA-O 3.38Å; T120-I138 VanDerWaalsContact CG2-C 3.42Å; T120-I138 WeakPolarHBondContact CG2-O 2.88Å; T120-P140 WeakPolarHBondContact OG1-CD 3.23Å
121	A	35.8	Very low	37.3	Very low	29 Å²	29	71 Å²	71	24%	0.24	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.5	176.9	0	0	0	0	0	108	I138 W224	A121-I138 PolarHBondContact N-O 2.91Å; A121-I138 WeakPolarHBondContact O-CA 3.24Å; A121-I138 WeakPolarHBondContact O-CB 2.88Å; A121-I138 PolarHBondContact O-N 2.69Å; A121-W224 HydrophobicContact CB-CZ2 4.06Å
122	M	37.8	Very low	37.5	Very low	23 Å²	23	72.4 Å²	72.4	11%	0.113	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121	169.7	-72.8	163.2	148	0	0	109.5	L52 I87 V135 N136 V137	L52-M122 HydrophobicContact CD1-CE 3.8Å; I87-M122 HydrophobicContact CB-CB 3.99Å; I87-M122 HydrophobicContact CB-CG 4.36Å; I87-M122 HydrophobicContact CB-SD 3.42Å; I87-M122 WeakPolarHBondContact CB-SD 3.39Å; I87-M122 HydrophobicContact CD1-CB 3.7Å; I87-M122 HydrophobicContact CD1-CG 4.44Å; I87-M122 HydrophobicContact CD1-SD 4.02Å; I87-M122 HydrophobicContact CG1-CB 4.27Å; I87-M122 HydrophobicContact CG1-SD 4.3Å; I87-M122 HydrophobicContact CG2-CE 4.21Å; I87-M122 HydrophobicContact CG2-SD 3.13Å; I87-M122 WeakPolarHBondContact CG2-SD 3.46Å; M122-V135 HydrophobicContact CB-CG1 3.94Å; M122-V135 HydrophobicContact CE-CG1 3.48Å; M122-V135 VanDerWaalsContact CE-CG1 3.48Å; M122-V135 HydrophobicContact CG-CG1 3.73Å; M122-V135 HydrophobicContact SD-CG1 3.48Å; M122-V135 WeakPolarHBondContact SD-CG1 3.16Å; M122-N136 WeakPolarHBondContact CA-O 3.43Å; M122-N136 WeakPolarHBondContact CB-O 3.25Å; M122-N136 WeakPolarHBondContact CG-O 3Å; M122-V137 HydrophobicContact CE-CG2 3.59Å
123	E	37.8	Very low	37.9	Very low	95 Å²	95	72.4 Å²	72.4	44%	0.444	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.9	173.2	-175.9	-175.5	-155.5	0	0	108.8	N125 N136 I138	E123-N125 PolarHBondContact OE2-ND2 3.08Å; E123-N136 PolarHBondContact N-O 3.18Å; E123-N136 PolarHBondContact O-N 3.28Å; E123-I138 HydrophobicContact CB-CD1 4.11Å
124	C	40.5	Very low	38.1	Very low	29 Å²	29	70 Å²	70	20%	0.196	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.5	173.1	-67.1	0	0	0	0	109.7	N85 I87 L133	N85-C124 HydrophobicContact CB-CB 3.91Å; N85-C124 WeakPolarHBondContact CB-SG 3.45Å; I87-C124 VanDerWaalsContact CD1-SG 3.53Å; C124-L133 HydrophobicContact CB-CD2 4.18Å; C124-L133 HydrophobicContact CB-CG 4.43Å; C124-L133 VanDerWaalsContact SG-CD2 3.53Å
125	N	40.8	Very low	38.6	Very low	67 Å²	67	69.7 Å²	69.7	36%	0.358	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108	169.3	-76.2	-46.6	0	0	0	108.6	E123 G127 M134	E123-N125 PolarHBondContact OE2-ND2 3.08Å; N125-G127 PolarHBondContact O-N 3.38Å; N125-M134 PolarHBondContact N-O 3.44Å
126	C	41	Very low	38.7	Very low	69 Å²	69	69.5 Å²	69.5	47%	0.466	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	98.5	170.6	-87.5	0	0	0	0	107.2	C78	C78-C126 WeakPolarHBondContact CB-SG 2.8Å; C78-C126 WeakPolarHBondContact SG-CB 3.37Å; C78-C126 CovalentContact SG-SG 2.09Å; C78-C126 PolarHBondContact SG-SG 3.14Å
127	G	39.7	Very low	39.1	Very low	41 Å²	41	65.6 Å²	65.6	42%	0.423	36%	0.36	S	S	.	.			trans	-74	128.4	-168.8	0	0	0	0	0	113.2	N125 T129	N125-G127 PolarHBondContact O-N 3.38Å; G127-T129 PolarHBondContact O-N 3.45Å
128	K	43.8	Very low	39.3	Very low	200 Å²	200	68.4 Å²	68.4	87%	0.87	37%	0.373	S	S	*	.	S	Bend	trans	-62.8	122.8	169.5	-66.7	174	178.1	176.9	0	108.2
129	T	37.7	Very low	39.5	Very low	138 Å²	138	65.9 Å²	65.9	85%	0.847	36%	0.364	S	S	*	.	S	Bend	trans	82.3	113.4	-178.5	72.9	0	0	0	0	114.4	G127	G127-T129 PolarHBondContact O-N 3.45Å
130	G	41.2	Very low	39.4	Very low	53 Å²	53	66.2 Å²	66.2	55%	0.546	37%	0.367	S	S	.	.	S	Bend	trans	68.8	63.4	171.9	0	0	0	0	0	115.9	Q132	G130-Q132 VanDerWaalsContact C-N 3.3Å; G130-Q132 VanDerWaalsContact O-CG 3.25Å; G130-Q132 WeakPolarHBondContact O-CG 3.17Å; G130-Q132 PolarHBondContact O-N 3.17Å
131	M	43.2	Very low	39.2	Very low	98 Å²	98	69 Å²	69	48%	0.483	39%	0.393	S	S	.	.	S	Bend	trans	31.9	49	148.6	-61.1	-175.6	73.9	0	0	118.6	E71	E71-M131 HydrophobicContact CG-CE 3.26Å; E71-M131 WeakPolarHBondContact OE1-CE 3.4Å
132	Q	41.2	Very low	38.9	Very low	57 Å²	57	76.7 Å²	76.7	27%	0.266	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.2	176.3	-74.7	167.6	11	0	0	109.3	Y60 Y62 G130	Y60-Q132 HydrophobicContact CD1-CB 3.78Å; Y60-Q132 HydrophobicContact CD1-CG 4.35Å; Y60-Q132 HydrophobicContact CG-CB 4.35Å; Y62-Q132 HydrophobicContact CD1-CG 4.14Å; Y62-Q132 HydrophobicContact CE1-CG 3.72Å; Y62-Q132 PolarHBondContact OH-NE2 3.49Å; Y62-Q132 VanDerWaalsContact OH-NE2 3.1Å; G130-Q132 VanDerWaalsContact C-N 3.3Å; G130-Q132 VanDerWaalsContact O-CG 3.25Å; G130-Q132 WeakPolarHBondContact O-CG 3.17Å; G130-Q132 PolarHBondContact O-N 3.17Å
133	L	41.7	Very low	38.4	Very low	1 Å²	1	83.2 Å²	83.2	1%	0.005	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.4	164.7	-154.2	125.2	0	0	0	106.8	Y60 V61 L63 I87 L98 F100 C124 V135	Y60-L133 WeakPolarHBondContact CA-O 3.45Å; V61-L133 PolarHBondContact N-O 3.13Å; V61-L133 PolarHBondContact O-N 3.17Å; L63-L133 HydrophobicContact CD2-CB 4.32Å; L63-L133 HydrophobicContact CD2-CD1 3.77Å; I87-L133 HydrophobicContact CD1-CD2 4.45Å; L98-L133 HydrophobicContact CD1-CD2 4.04Å; L98-L133 HydrophobicContact CD2-CD1 4.2Å; L98-L133 HydrophobicContact CD2-CD2 3.98Å; F100-L133 HydrophobicContact CE1-CD1 4Å; F100-L133 HydrophobicContact CZ-CD1 3.89Å; C124-L133 HydrophobicContact CB-CD2 4.18Å; C124-L133 HydrophobicContact CB-CG 4.43Å; C124-L133 VanDerWaalsContact SG-CD2 3.53Å; L133-V135 HydrophobicContact CD2-CG2 3.67Å; L133-V135 PolarHBondContact O-N 2.61Å
134	M	39.8	Very low	37.8	Very low	47 Å²	47	84.9 Å²	84.9	23%	0.232	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117	168.8	-173.7	-169.4	-68.8	0	0	107.7	Y60 N125	Y60-M134 HydrophobicContact CD1-CB 4.02Å; Y60-M134 HydrophobicContact CD1-CG 4.37Å; Y60-M134 HydrophobicContact CE1-CB 3.89Å; Y60-M134 HydrophobicContact CE1-CE 3.57Å; Y60-M134 HydrophobicContact CE1-CG 4.03Å; Y60-M134 VanDerWaalsContact OH-CE 3.29Å; Y60-M134 WeakPolarHBondContact OH-CE 3.12Å; N125-M134 PolarHBondContact N-O 3.44Å
135	V	44.3	Very low	37.1	Very low	8 Å²	8	87.5 Å²	87.5	5%	0.048	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.3	170.9	179.1	0	0	0	0	107.7	S58 Q59 V61 I87 M122 L133	S58-V135 WeakPolarHBondContact CA-O 3.45Å; Q59-V135 PolarHBondContact N-O 2.86Å; Q59-V135 VanDerWaalsContact N-O 3.1Å; Q59-V135 PolarHBondContact O-N 2.96Å; V61-V135 HydrophobicContact CG2-CG2 4.26Å; I87-V135 HydrophobicContact CD1-CB 4.09Å; I87-V135 HydrophobicContact CD1-CG1 3.51Å; I87-V135 HydrophobicContact CD1-CG2 3.56Å; M122-V135 HydrophobicContact CB-CG1 3.94Å; M122-V135 HydrophobicContact CE-CG1 3.48Å; M122-V135 VanDerWaalsContact CE-CG1 3.48Å; M122-V135 HydrophobicContact CG-CG1 3.73Å; M122-V135 HydrophobicContact SD-CG1 3.48Å; M122-V135 WeakPolarHBondContact SD-CG1 3.16Å; L133-V135 HydrophobicContact CD2-CG2 3.67Å; L133-V135 PolarHBondContact O-N 2.61Å
136	N	39.8	Very low	36.5	Very low	40 Å²	40	89.9 Å²	89.9	21%	0.214	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.8	170.9	-79.4	-22.3	0	0	0	110.2	S58 M122 E123 I138	S58-N136 WeakPolarHBondContact CB-OD1 3.31Å; M122-N136 WeakPolarHBondContact CA-O 3.43Å; M122-N136 WeakPolarHBondContact CB-O 3.25Å; M122-N136 WeakPolarHBondContact CG-O 3Å; E123-N136 PolarHBondContact N-O 3.18Å; E123-N136 PolarHBondContact O-N 3.28Å; N136-I138 PolarHBondContact O-N 3.49Å
137	V	40.4	Very low	36	Very low	46 Å²	46	92.1 Å²	92.1	28%	0.279	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	92.7	176.8	-174.8	0	0	0	0	109	H57 T120 M122 R139	H57-V137 PolarHBondContact O-N 2.9Å; T120-V137 HydrophobicContact CG2-CB 4.35Å; T120-V137 HydrophobicContact CG2-CG1 3.24Å; M122-V137 HydrophobicContact CE-CG2 3.59Å; V137-R139 PolarHBondContact O-N 3.22Å
138	I	39.3	Very low	35.7	Very low	80 Å²	80	94.8 Å²	94.8	41%	0.41	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	100.6	177.1	-49.3	175.6	0	0	0	108.8	T120 A121 E123 N136	T120-I138 CarbonylContact C-O 3.4Å; T120-I138 WeakPolarHBondContact CA-O 3.38Å; T120-I138 VanDerWaalsContact CG2-C 3.42Å; T120-I138 WeakPolarHBondContact CG2-O 2.88Å; A121-I138 PolarHBondContact N-O 2.91Å; A121-I138 WeakPolarHBondContact O-CA 3.24Å; A121-I138 WeakPolarHBondContact O-CB 2.88Å; A121-I138 PolarHBondContact O-N 2.69Å; E123-I138 HydrophobicContact CB-CD1 4.11Å; N136-I138 PolarHBondContact O-N 3.49Å
139	R	35.6	Very low	35.3	Very low	176 Å²	176	93.4 Å²	93.4	66%	0.664	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-61.2	130.8	171.9	-65.1	-176.1	-171	167.8	5.7	108.4	V137 A141	V137-R139 PolarHBondContact O-N 3.22Å; R139-A141 PolarHBondContact O-N 3.12Å
140	P	32.2	Very low	35.3	Very low	57 Å²	57	96.4 Å²	96.4	37%	0.37	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-63.6	133.1	175.6	28.1	-31.2	0	0	0	108.3	T119 T120 Y142	T119-P140 WeakPolarHBondContact O-CB 3.32Å; T119-P140 WeakPolarHBondContact O-CD 3.32Å; T119-P140 VanDerWaalsContact O-CG 3.26Å; T119-P140 WeakPolarHBondContact O-CG 3.4Å; T120-P140 WeakPolarHBondContact OG1-CD 3.23Å; P140-Y142 PolarHBondContact O-N 3.35Å; P140-Y142 VanDerWaalsContact O-N 3.17Å
141	A	28.7	Very low	34.8	Very low	95 Å²	95	99.1 Å²	99.1	79%	0.785	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-59.1	119.3	169.7	0	0	0	0	0	108.1	R139 N143	R139-A141 PolarHBondContact O-N 3.12Å; A141-N143 PolarHBondContact O-N 3.11Å; A141-N143 VanDerWaalsContact O-N 3.15Å
142	Y	31.2	Very low	34.4	Very low	190 Å²	190	104.4 Å²	104.4	75%	0.745	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-64	116.1	170.9	-80.4	-95.4	0	0	0	108	P140 V144	P140-Y142 PolarHBondContact O-N 3.35Å; P140-Y142 VanDerWaalsContact O-N 3.17Å; Y142-V144 PolarHBondContact O-N 3.45Å
143	N	25.6	Very low	34	Very low	160 Å²	160	109.2 Å²	109.2	86%	0.856	59%	0.591	S	S	*	*			trans	-65.7	95.3	149.8	-81.5	-15.9	0	0	0	106.1	A141 A145	A141-N143 PolarHBondContact O-N 3.11Å; A141-N143 VanDerWaalsContact O-N 3.15Å; N143-A145 PolarHBondContact O-N 3.43Å
144	V	26	Very low	33.4	Very low	131 Å²	131	117.6 Å²	117.6	79%	0.794	63%	0.627	S	S	*	*			trans	-66.2	85.6	169.2	-179.3	0	0	0	0	106.8	Y142 T146	Y142-V144 PolarHBondContact O-N 3.45Å; V144-T146 PolarHBondContact O-N 3.02Å
145	A	27	Very low	33.1	Very low	83 Å²	83	122.6 Å²	122.6	69%	0.686	65%	0.654	S	S	*	*			trans	-85.3	101.5	159.3	0	0	0	0	0	107.6	N143	N143-A145 PolarHBondContact O-N 3.43Å
146	T	28.2	Very low	32.4	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.724	68%	0.684	S	S	*	*			trans	55.9	103.6	148	60.2	0	0	0	0	119.3	V144	V144-T146 PolarHBondContact O-N 3.02Å
147	S	29	Very low	31.8	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	71%	0.709	S	S	*	*			trans	33.9	100.2	135.8	65.5	0	0	0	0	118.9
148	A	32.9	Very low	31.1	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	73%	0.73	S	S	*	*			trans	-167.6	81.4	144.2	0	0	0	0	0	109.7	K150	A148-K150 VanDerWaalsContact C-N 3.27Å; A148-K150 PolarHBondContact O-N 2.86Å; A148-K150 VanDerWaalsContact O-N 3.14Å
149	E	35.4	Very low	30.5	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	33.4	-172.7	-164.7	153.1	-159.1	0	0	114.4
150	K	38	Very low	30.2	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	10.6	-171.9	-83.2	-172.9	175.4	178.8	0	118.5	A148	A148-K150 VanDerWaalsContact C-N 3.27Å; A148-K150 PolarHBondContact O-N 2.86Å; A148-K150 VanDerWaalsContact O-N 3.14Å
151	T	30.9	Very low	29.9	Very low	110 Å²	110	139.3 Å²	139.3	68%	0.675	73%	0.726	S	S	*	*			trans	-130.2	47.4	174.2	-18.7	0	0	0	0	112.7	N153	T151-N153 PolarHBondContact O-N 3.37Å
152	R	34.6	Very low	30.2	Very low	210 Å²	210	136.2 Å²	136.2	79%	0.792	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-13	-174.5	-157.7	170.1	178.1	152	-2.8	115
153	N	33.9	Very low	30	Very low	158 Å²	158	131.3 Å²	131.3	85%	0.845	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	6.3	-168.6	-76.7	-3.6	0	0	0	117.4	T151	T151-N153 PolarHBondContact O-N 3.37Å
154	K	28.4	Very low	30.4	Very low	177 Å²	177	124.2 Å²	124.2	77%	0.77	64%	0.64	S	S	*	*			trans	-139.3	8.7	177.4	-108.9	-176.2	-178	-178	0	117	E156	K154-E156 PolarHBondContact O-N 3.49Å
155	L	33.2	Very low	30.6	Very low	152 Å²	152	118 Å²	118	80%	0.796	60%	0.603	S	S	*	*			trans	-76.6	67.4	157.4	-82.8	159.3	0	0	0	108.2	K157	L155-K157 PolarHBondContact O-N 3.26Å; L155-K157 VanDerWaalsContact O-N 3.11Å
156	E	29.8	Very low	30.6	Very low	146 Å²	146	119.2 Å²	119.2	68%	0.682	59%	0.59	S	S	*	*			trans	-51.1	117	163.5	-73.3	-177.1	129.5	0	0	108.5	K154 R158	K154-E156 PolarHBondContact O-N 3.49Å; E156-R158 PolarHBondContact O-N 2.78Å
157	K	28.3	Very low	30.8	Very low	168 Å²	168	114.1 Å²	114.1	73%	0.73	56%	0.56	S	S	*	*			trans	49.1	44.6	136.3	-60.6	175.5	179.2	168.1	0	116.8	L155 Q159	L155-K157 PolarHBondContact O-N 3.26Å; L155-K157 VanDerWaalsContact O-N 3.11Å; K157-Q159 VanDerWaalsContact C-N 3.29Å; K157-Q159 PolarHBondContact O-N 3.35Å
158	R	24.6	Very low	30.8	Very low	190 Å²	190	114.3 Å²	114.3	72%	0.717	55%	0.552	S	S	*	*			trans	-72.2	96.4	152.5	-74.8	-168.4	177.3	-175.6	0.3	107.8	E156 T160	E156-R158 PolarHBondContact O-N 2.78Å; R158-T160 PolarHBondContact O-N 2.8Å
159	Q	26.5	Very low	30.8	Very low	133 Å²	133	118.2 Å²	118.2	62%	0.621	55%	0.554	S	S	*	*			trans	-56.7	124.2	177.4	-68.3	170.8	-26.3	0	0	110	K157	K157-Q159 VanDerWaalsContact C-N 3.29Å; K157-Q159 PolarHBondContact O-N 3.35Å
160	T	29.5	Very low	30.8	Very low	84 Å²	84	115 Å²	115	52%	0.515	54%	0.537	S	S	.	.			trans	-96	84.3	159.2	-46.5	0	0	0	0	106.8	T117 R158 I162	T117-T160 HydrophobicContact CG2-CG2 3.89Å; R158-T160 PolarHBondContact O-N 2.8Å; T160-I162 HydrophobicContact CG2-CG1 4.18Å
161	T	26.8	Very low	30.8	Very low	37 Å²	37	108 Å²	108	23%	0.227	51%	0.509	C	S	.	.			trans	-91.6	117.5	166.8	-52.9	0	0	0	0	106.7	F163	T161-F163 HydrophobicContact CG2-CD1 4.3Å; T161-F163 HydrophobicContact CG2-CD2 4.03Å; T161-F163 HydrophobicContact CG2-CE1 3.8Å; T161-F163 HydrophobicContact CG2-CE2 3.49Å; T161-F163 VanDerWaalsContact CG2-CE2 3.49Å; T161-F163 HydrophobicContact CG2-CG 4.41Å; T161-F163 HydrophobicContact CG2-CZ 3.37Å
162	I	34	Very low	31.2	Very low	29 Å²	29	107.6 Å²	107.6	15%	0.149	50%	0.502	C	S	.	.			trans	-98.6	122.9	175.4	-42.9	-176.8	0	0	0	106	L88 T117 T119 T160	L88-I162 WeakPolarHBondContact CD1-O 3.43Å; L88-I162 HydrophobicContact CD2-CB 4Å; L88-I162 HydrophobicContact CD2-CG2 3.64Å; T117-I162 VanDerWaalsContact CB-CD1 3.42Å; T117-I162 HydrophobicContact CG2-CB 4.38Å; T117-I162 HydrophobicContact CG2-CD1 3.93Å; T117-I162 HydrophobicContact CG2-CG1 3.63Å; T117-I162 HydrophobicContact CG2-CG2 4.27Å; T117-I162 WeakPolarHBondContact OG1-CD1 3.48Å; T119-I162 HydrophobicContact CG2-CD1 3.15Å; T160-I162 HydrophobicContact CG2-CG1 4.18Å
163	F	27.6	Very low	31.6	Very low	87 Å²	87	107.8 Å²	107.8	38%	0.382	50%	0.503	S	S	.	.			trans	-104.4	136.7	177.7	-60.1	-92.5	0	0	0	109.4	Y44 T161	Y44-F163 HydrophobicContact CD1-CB 3.33Å; Y44-F163 WeakPolarHBondContact CD1-O 3.5Å; Y44-F163 HydrophobicContact CD2-CB 3.49Å; Y44-F163 VanDerWaalsContact CD2-CB 3.49Å; Y44-F163 HydrophobicContact CD2-CD2 4.32Å; Y44-F163 AromaticContact CD2-CG 3.98Å; Y44-F163 HydrophobicContact CD2-CG 3.98Å; Y44-F163 HydrophobicContact CE1-CB 3.7Å; Y44-F163 WeakPolarHBondContact CE1-O 3.49Å; Y44-F163 HydrophobicContact CE2-CB 3.91Å; Y44-F163 HydrophobicContact CG-CB 3.2Å; Y44-F163 HydrophobicContact CG-CG 4.02Å; T161-F163 HydrophobicContact CG2-CD1 4.3Å; T161-F163 HydrophobicContact CG2-CD2 4.03Å; T161-F163 HydrophobicContact CG2-CE1 3.8Å; T161-F163 HydrophobicContact CG2-CE2 3.49Å; T161-F163 VanDerWaalsContact CG2-CE2 3.49Å; T161-F163 HydrophobicContact CG2-CG 4.41Å; T161-F163 HydrophobicContact CG2-CZ 3.37Å
164	L	33.8	Very low	31.8	Very low	12 Å²	12	107 Å²	107	6%	0.063	49%	0.494	C	S	.	.			trans	-120.9	128.4	156.1	-92.2	148.5	0	0	0	100.9	I86 L88 Y99 V112	I86-L164 HydrophobicContact CB-CD1 3.68Å; I86-L164 HydrophobicContact CD1-CD1 4.41Å; I86-L164 HydrophobicContact CG2-CD1 3.43Å; I86-L164 VanDerWaalsContact CG2-CD1 3.43Å; L88-L164 HydrophobicContact CD1-CB 3.39Å; L88-L164 HydrophobicContact CD1-CD1 3.8Å; L88-L164 HydrophobicContact CD1-CG 3.88Å; L88-L164 HydrophobicContact CD2-CD1 3.85Å; L88-L164 HydrophobicContact CD2-CG 4.45Å; L88-L164 HydrophobicContact CG-CB 4.3Å; L88-L164 HydrophobicContact CG-CD1 3.78Å; L88-L164 HydrophobicContact CG-CG 4.39Å; Y99-L164 HydrophobicContact CD2-CB 3.92Å; Y99-L164 HydrophobicContact CD2-CD1 3.93Å; Y99-L164 HydrophobicContact CD2-CG 4.49Å; Y99-L164 HydrophobicContact CE2-CB 3.47Å; Y99-L164 VanDerWaalsContact CE2-CB 3.47Å; Y99-L164 HydrophobicContact CE2-CD1 4.26Å; Y99-L164 HydrophobicContact CE2-CG 4.47Å; Y99-L164 PolarHBondContact OH-O 3.02Å; V112-L164 WeakPolarHBondContact O-CD2 3.31Å; V112-L164 WeakPolarHBondContact O-CG 3.41Å
165	G	30.1	Very low	32.7	Very low	1 Å²	1	101.4 Å²	101.4	1%	0.01	47%	0.468	C	S	.	.			trans	-147.6	157.4	-178	0	0	0	0	0	105.6	K45 A167	K45-G165 WeakPolarHBondContact O-CA 3.45Å; G165-A167 PolarHBondContact O-N 2.93Å
166	W	26.5	Very low	33.2	Very low	107 Å²	107	97.6 Å²	97.6	41%	0.405	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-62.2	129.7	161.7	-50.1	75.8	0	0	0	105.6	L47 Y111 N168	L47-W166 HydrophobicContact CD1-CZ2 3.63Å; L47-W166 VanDerWaalsContact CD1-NE1 3.26Å; L47-W166 HydrophobicContact CD2-CZ2 3.93Å; L47-W166 HydrophobicContact CG-CZ2 4.24Å; Y111-W166 HydrophobicContact CE1-CD2 4.09Å; Y111-W166 AromaticContact CE1-CE3 3.95Å; Y111-W166 HydrophobicContact CE1-CE3 3.95Å; Y111-W166 HydrophobicContact CE1-CH2 4.42Å; Y111-W166 HydrophobicContact CE1-CZ3 4.15Å; Y111-W166 AromaticContact CZ-CE3 3.98Å; Y111-W166 AromaticContact CZ-CZ3 3.78Å; Y111-W166 WeakPolarHBondContact OH-CH2 3.41Å; Y111-W166 WeakPolarHBondContact OH-CZ3 3.49Å; W166-N168 PolarHBondContact O-N 3.21Å; W166-N168 VanDerWaalsContact O-N 3.1Å
167	A	32	Very low	34.2	Very low	12 Å²	12	93 Å²	93	10%	0.099	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-55.2	118.3	147	0	0	0	0	0	106	Y42 N110 G165 Q169	Y42-A167 HydrophobicContact CD1-CB 3.18Å; Y42-A167 HydrophobicContact CE1-CB 3.27Å; Y42-A167 HydrophobicContact CG-CB 4.3Å; N110-A167 HydrophobicContact CB-CB 3.79Å; N110-A167 WeakPolarHBondContact O-CB 2.96Å; N110-A167 PolarHBondContact O-N 3.03Å; G165-A167 PolarHBondContact O-N 2.93Å; A167-Q169 PolarHBondContact O-N 3.31Å; A167-Q169 VanDerWaalsContact O-N 3.14Å
168	N	30.4	Very low	35.1	Very low	119 Å²	119	85.3 Å²	85.3	64%	0.636	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-49.3	126.7	148.7	-70.9	-21.3	0	0	0	104.4	W166 F170	W166-N168 PolarHBondContact O-N 3.21Å; W166-N168 VanDerWaalsContact O-N 3.1Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.25Å
169	Q	32.5	Very low	36.2	Very low	180 Å²	180	81.5 Å²	81.5	84%	0.841	39%	0.389	S	S	*	.			trans	-33.1	95.7	-177.4	-94.2	-179.9	-37.3	0	0	109.4	A167 D171	A167-Q169 PolarHBondContact O-N 3.31Å; A167-Q169 VanDerWaalsContact O-N 3.14Å; Q169-D171 PolarHBondContact O-N 2.91Å
170	F	35.2	Very low	37.2	Very low	102 Å²	102	81.2 Å²	81.2	45%	0.447	39%	0.386	S	S	.	.			trans	-68.5	123.6	170.2	-153.1	-88.3	0	0	0	101.1	Y42 N168 L172 Q174	Y42-F170 HydrophobicContact CE1-CB 3.87Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.25Å; F170-L172 VanDerWaalsContact C-N 3.35Å; F170-L172 PolarHBondContact O-N 3.45Å; F170-Q174 HydrophobicContact CD1-CB 4.43Å; F170-Q174 HydrophobicContact CE1-CB 3.91Å
171	D	37.6	Very low	38.6	Very low	54 Å²	54	78 Å²	78	29%	0.289	37%	0.367	S	S	.	.			trans	-56	110.3	173.2	-173.1	-11.4	0	0	0	105.8	Q169 R173 Q174	Q169-D171 PolarHBondContact O-N 2.91Å; D171-R173 VanDerWaalsContact CG-NE 3.31Å; D171-R173 PolarHBondContact O-N 2.8Å; D171-R173 WeakPolarHBondContact OD1-CB 3.23Å; D171-R173 WeakPolarHBondContact OD1-CG 3.36Å; D171-R173 IonicContact OD1-CZ 2.79Å; D171-R173 PolarHBondContact OD1-N 3.36Å; D171-R173 IonicContact OD1-NE 2.88Å; D171-R173 PolarHBondContact OD1-NE 3.09Å; D171-R173 IonicContact OD1-NH2 2.79Å; D171-R173 IonicContact OD2-CZ 2.69Å; D171-R173 VanDerWaalsContact OD2-CZ 3.25Å; D171-R173 IonicContact OD2-NE 3.22Å; D171-R173 PolarHBondContact OD2-NE 3.35Å; D171-R173 IonicContact OD2-NH2 2.91Å; D171-R173 PolarHBondContact OD2-NH2 2.9Å; D171-Q174 HydrophobicContact CB-CB 4.47Å; D171-Q174 HydrophobicContact CB-CG 4.13Å; D171-Q174 WeakPolarHBondContact O-CA 3.36Å; D171-Q174 PolarHBondContact O-N 3.47Å
172	L	40.3	Very low	40.4	Very low	101 Å²	101	81 Å²	81	53%	0.529	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-58.5	-16.7	-179.7	-69.7	171.3	0	0	0	110.4	F170 R175	F170-L172 VanDerWaalsContact C-N 3.35Å; F170-L172 PolarHBondContact O-N 3.45Å; L172-R175 WeakPolarHBondContact O-CB 3.23Å; L172-R175 PolarHBondContact O-N 2.82Å
173	R	42.6	Very low	42.3	Very low	215 Å²	215	80.8 Å²	80.8	81%	0.811	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-71.4	-24.6	170.6	-56.4	175.2	-69.3	-173	1.4	113.9	D171 R175	D171-R173 VanDerWaalsContact CG-NE 3.31Å; D171-R173 PolarHBondContact O-N 2.8Å; D171-R173 WeakPolarHBondContact OD1-CB 3.23Å; D171-R173 WeakPolarHBondContact OD1-CG 3.36Å; D171-R173 IonicContact OD1-CZ 2.79Å; D171-R173 PolarHBondContact OD1-N 3.36Å; D171-R173 IonicContact OD1-NE 2.88Å; D171-R173 PolarHBondContact OD1-NE 3.09Å; D171-R173 IonicContact OD1-NH2 2.79Å; D171-R173 IonicContact OD2-CZ 2.69Å; D171-R173 VanDerWaalsContact OD2-CZ 3.25Å; D171-R173 IonicContact OD2-NE 3.22Å; D171-R173 PolarHBondContact OD2-NE 3.35Å; D171-R173 IonicContact OD2-NH2 2.91Å; D171-R173 PolarHBondContact OD2-NH2 2.9Å; R173-R175 VanDerWaalsContact C-N 3.33Å
174	Q	38.5	Very low	44.6	Very low	141 Å²	141	76.6 Å²	76.6	66%	0.659	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-86.4	-2.1	173.5	-66.4	-173.1	15	0	0	113.1	F170 D171	F170-Q174 HydrophobicContact CD1-CB 4.43Å; F170-Q174 HydrophobicContact CE1-CB 3.91Å; D171-Q174 HydrophobicContact CB-CB 4.47Å; D171-Q174 HydrophobicContact CB-CG 4.13Å; D171-Q174 WeakPolarHBondContact O-CA 3.36Å; D171-Q174 PolarHBondContact O-N 3.47Å
175	R	46.3	Very low	46.9	Very low	59 Å²	59	82.1 Å²	82.1	22%	0.223	38%	0.383	C	S	.	.	S	Bend	trans	-59.6	127.6	177.1	-177.5	176	174.9	168.9	-2	109.8	L172 R173 P177 Q213	L172-R175 WeakPolarHBondContact O-CB 3.23Å; L172-R175 PolarHBondContact O-N 2.82Å; R173-R175 VanDerWaalsContact C-N 3.33Å; R175-P177 VanDerWaalsContact O-CD 3.26Å; R175-P177 WeakPolarHBondContact O-CD 3.37Å; R175-P177 VanDerWaalsContact O-N 3.12Å; R175-Q213 VanDerWaalsContact NH2-OE1 3.13Å
176	P	45.3	Very low	49.7	Very low	73 Å²	73	89.6 Å²	89.6	47%	0.474	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-63.1	119.1	161.5	6	4.5	0	0	0	106.3	K180	P176-K180 HydrophobicContact CB-CB 3.98Å; P176-K180 HydrophobicContact CB-CD 3.41Å; P176-K180 VanDerWaalsContact CB-CD 3.41Å; P176-K180 HydrophobicContact CB-CG 3.79Å
177	P	48.9	Very low	52.7	Low	48 Å²	48	88.7 Å²	88.7	31%	0.312	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-51.7	153.3	-173.8	-29.9	36.8	0	0	0	111.5	R175 W179 K180	R175-P177 VanDerWaalsContact O-CD 3.26Å; R175-P177 WeakPolarHBondContact O-CD 3.37Å; R175-P177 VanDerWaalsContact O-N 3.12Å; P177-W179 HydrophobicContact CB-CD2 4.35Å; P177-W179 HydrophobicContact CB-CG 3.94Å; P177-W179 HydrophobicContact CG-CZ2 4.29Å; P177-W179 VanDerWaalsContact CG-NE1 3.33Å; P177-W179 PolarHBondContact O-N 3.44Å; P177-K180 PolarHBondContact O-N 3.31Å
178	A	47.1	Very low	55.5	Low	8 Å²	8	88.3 Å²	88.3	7%	0.066	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-43.8	-31.9	-179.1	0	0	0	0	0	113.9	K180 S181 M209 Q210 Q213	A178-K180 PolarHBondContact O-N 2.8Å; A178-S181 PolarHBondContact O-N 3.26Å; A178-S181 PolarHBondContact O-OG 3.17Å; A178-S181 VanDerWaalsContact O-OG 3.04Å; A178-M209 HydrophobicContact CB-CG 3.96Å; A178-Q210 HydrophobicContact CB-CG 4.2Å; A178-Q213 VanDerWaalsContact CB-OE1 3.26Å
179	W	48.1	Very low	58.4	Low	110 Å²	110	86.3 Å²	86.3	42%	0.417	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-63.4	-14.2	175.9	67.5	-108.2	0	0	0	116.3	P177 H206	P177-W179 HydrophobicContact CB-CD2 4.35Å; P177-W179 HydrophobicContact CB-CG 3.94Å; P177-W179 HydrophobicContact CG-CZ2 4.29Å; P177-W179 VanDerWaalsContact CG-NE1 3.33Å; P177-W179 PolarHBondContact O-N 3.44Å; W179-H206 AromaticContact CD1-NE2 4Å
180	K	48.5	Very low	61.5	Low	127 Å²	127	81.5 Å²	81.5	55%	0.552	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-78.2	-21.3	175.5	-61.2	-145.3	-156.9	172	0	113.1	P176 P177 A178 N182	P176-K180 HydrophobicContact CB-CB 3.98Å; P176-K180 HydrophobicContact CB-CD 3.41Å; P176-K180 VanDerWaalsContact CB-CD 3.41Å; P176-K180 HydrophobicContact CB-CG 3.79Å; P177-K180 PolarHBondContact O-N 3.31Å; A178-K180 PolarHBondContact O-N 2.8Å; K180-N182 PolarHBondContact O-N 3.14Å
181	S	57.8	Low	64.4	Low	16 Å²	16	76.8 Å²	76.8	11%	0.112	36%	0.364	C	S	.	.	S	Bend	trans	-80.5	102.7	173.6	68.5	0	0	0	0	110.1	A178 P183 V184 R185	A178-S181 PolarHBondContact O-N 3.26Å; A178-S181 PolarHBondContact O-OG 3.17Å; A178-S181 VanDerWaalsContact O-OG 3.04Å; S181-P183 VanDerWaalsContact C-CD 3.41Å; S181-P183 VanDerWaalsContact C-N 3.3Å; S181-V184 PolarHBondContact O-N 3.17Å; S181-V184 VanDerWaalsContact OG-CB 3.28Å; S181-V184 WeakPolarHBondContact OG-CB 3.49Å; S181-V184 WeakPolarHBondContact OG-CG2 3.03Å; S181-R185 PolarHBondContact O-N 3.05Å; S181-R185 VanDerWaalsContact O-N 3.12Å
182	N	66	Low	67.2	Low	101 Å²	101	75.5 Å²	75.5	54%	0.54	36%	0.358	S	S	.	.	H	α-helix	trans	-53.6	-37.8	-176.4	-164.6	-12.3	0	0	0	113.4	K180 R186	K180-N182 PolarHBondContact O-N 3.14Å; N182-R186 WeakPolarHBondContact O-CG 3.46Å; N182-R186 PolarHBondContact O-N 3.37Å; N182-R186 VanDerWaalsContact O-N 3.15Å; N182-R186 PolarHBondContact O-NE 3.16Å; N182-R186 PolarHBondContact OD1-NE 3.2Å
183	P	74.2	Confident	69.9	Low	23 Å²	23	75.2 Å²	75.2	15%	0.149	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-43.7	176.8	-24.4	37.4	0	0	0	114.7	V33 S181 R186 K187	V33-P183 HydrophobicContact CG1-CG 4.21Å; S181-P183 VanDerWaalsContact C-CD 3.41Å; S181-P183 VanDerWaalsContact C-N 3.3Å; P183-R186 PolarHBondContact O-N 2.88Å; P183-K187 PolarHBondContact O-N 2.71Å; P183-K187 VanDerWaalsContact O-N 3.1Å
184	V	75.4	Confident	72.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-46.7	179.6	178.8	0	0	0	0	110	P36 S181 R186 K187 F188 M209 Q213	P36-V184 VanDerWaalsContact CA-CG2 3.45Å; P36-V184 HydrophobicContact CB-CG2 3.49Å; P36-V184 VanDerWaalsContact CB-CG2 3.49Å; S181-V184 PolarHBondContact O-N 3.17Å; S181-V184 VanDerWaalsContact OG-CB 3.28Å; S181-V184 WeakPolarHBondContact OG-CB 3.49Å; S181-V184 WeakPolarHBondContact OG-CG2 3.03Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 3.19Å; V184-K187 PolarHBondContact O-N 3.25Å; V184-K187 VanDerWaalsContact O-N 3.14Å; V184-F188 WeakPolarHBondContact O-CB 3.49Å; V184-F188 PolarHBondContact O-N 3.18Å; V184-M209 HydrophobicContact CG1-SD 4.23Å; V184-Q213 HydrophobicContact CG1-CB 3.88Å; V184-Q213 HydrophobicContact CG1-CG 4.01Å; V184-Q213 HydrophobicContact CG2-CG 3.99Å
185	R	81.9	Confident	75.3	Confident	127 Å²	127	64.9 Å²	64.9	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-56.4	-45.3	178.8	-178.9	176.9	165.9	148.2	-2.3	111.3	S181 F188 T189 M209	S181-R185 PolarHBondContact O-N 3.05Å; S181-R185 VanDerWaalsContact O-N 3.12Å; R185-F188 PolarHBondContact O-N 2.62Å; R185-T189 WeakPolarHBondContact O-CB 3.33Å; R185-T189 PolarHBondContact O-N 2.61Å; R185-T189 PolarHBondContact O-OG1 2.9Å; R185-M209 HydrophobicContact CG-CE 4.42Å
186	R	88.1	Confident	77.6	Confident	158 Å²	158	70.7 Å²	70.7	60%	0.596	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-45.3	176.2	-73.7	-174.8	-63.6	174.4	1.8	112.6	N182 P183 V184 F188 T189 S190	N182-R186 WeakPolarHBondContact O-CG 3.46Å; N182-R186 PolarHBondContact O-N 3.37Å; N182-R186 VanDerWaalsContact O-N 3.15Å; N182-R186 PolarHBondContact O-NE 3.16Å; N182-R186 PolarHBondContact OD1-NE 3.2Å; P183-R186 PolarHBondContact O-N 2.88Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 3.19Å; R186-F188 VanDerWaalsContact C-N 3.35Å; R186-F188 PolarHBondContact O-N 3.18Å; R186-T189 PolarHBondContact O-N 2.82Å; R186-S190 WeakPolarHBondContact O-CB 3.49Å; R186-S190 PolarHBondContact O-N 2.68Å
187	K	89.6	Confident	80.1	Confident	88 Å²	88	69.7 Å²	69.7	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-41.9	175.8	-76.3	-173.7	175.9	-173.3	0	111.8	P183 V184 S190 F191 F212 L216	P183-K187 PolarHBondContact O-N 2.71Å; P183-K187 VanDerWaalsContact O-N 3.1Å; V184-K187 PolarHBondContact O-N 3.25Å; V184-K187 VanDerWaalsContact O-N 3.14Å; K187-S190 PolarHBondContact O-N 2.83Å; K187-F191 VanDerWaalsContact O-CB 3.31Å; K187-F191 WeakPolarHBondContact O-CB 3.44Å; K187-F191 PolarHBondContact O-N 2.88Å; K187-F212 HydrophobicContact CB-CE1 3.96Å; K187-F212 HydrophobicContact CB-CZ 4.23Å; K187-L216 HydrophobicContact CB-CD1 4.28Å; K187-L216 HydrophobicContact CD-CD1 3.73Å; K187-L216 HydrophobicContact CD-CD2 4.21Å
188	F	90.2	Very high	82.3	Confident	5 Å²	5	73.6 Å²	73.6	2%	0.022	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-44	177.9	-173.2	-103.7	0	0	0	111.9	V184 R185 R186 S190 F191 T192 Y199 L205 R208 M209 F212	V184-F188 WeakPolarHBondContact O-CB 3.49Å; V184-F188 PolarHBondContact O-N 3.18Å; R185-F188 PolarHBondContact O-N 2.62Å; R186-F188 VanDerWaalsContact C-N 3.35Å; R186-F188 PolarHBondContact O-N 3.18Å; F188-S190 VanDerWaalsContact C-N 3.29Å; F188-S190 PolarHBondContact O-N 3.39Å; F188-F191 AromaticContact CD2-CD1 3.84Å; F188-F191 HydrophobicContact CD2-CD1 3.84Å; F188-F191 HydrophobicContact CD2-CE1 4.35Å; F188-F191 AromaticContact CE2-CD1 4Å; F188-F191 HydrophobicContact CE2-CD1 4Å; F188-F191 HydrophobicContact CE2-CE1 4.07Å; F188-F191 CarbonylContact O-C 3.08Å; F188-F191 WeakPolarHBondContact O-CB 3.29Å; F188-F191 PolarHBondContact O-N 2.91Å; F188-F191 VanDerWaalsContact O-N 3.12Å; F188-T192 HydrophobicContact CD1-CG2 3.79Å; F188-T192 HydrophobicContact CD2-CG2 4.39Å; F188-T192 HydrophobicContact CE1-CG2 3.53Å; F188-T192 HydrophobicContact CE2-CG2 4.15Å; F188-T192 HydrophobicContact CG-CG2 4.27Å; F188-T192 HydrophobicContact CZ-CG2 3.75Å; F188-T192 WeakPolarHBondContact O-CG2 2.94Å; F188-T192 PolarHBondContact O-N 3.35Å; F188-T192 PolarHBondContact O-OG1 3.46Å; F188-Y199 HydrophobicContact CE1-CE2 4.02Å; F188-Y199 AromaticContact CZ-CE2 3.59Å; F188-Y199 HydrophobicContact CZ-CE2 3.59Å; F188-Y199 AromaticContact CZ-CZ 3.78Å; F188-Y199 WeakPolarHBondContact CZ-OH 3.42Å; F188-L205 HydrophobicContact CE1-CD2 4.45Å; F188-L205 HydrophobicContact CE1-CG 4.36Å; F188-R208 HydrophobicContact CZ-CB 4.23Å; F188-M209 HydrophobicContact CB-CE 3.79Å; F188-M209 HydrophobicContact CB-SD 3.21Å; F188-M209 WeakPolarHBondContact CB-SD 3.21Å; F188-M209 HydrophobicContact CD1-CB 4.36Å; F188-M209 HydrophobicContact CD1-CE 3.11Å; F188-M209 HydrophobicContact CD1-SD 3.43Å; F188-M209 WeakPolarHBondContact CD1-SD 3.26Å; F188-M209 HydrophobicContact CD2-CB 4.42Å; F188-M209 HydrophobicContact CD2-SD 3.89Å; F188-M209 HydrophobicContact CE1-CB 4.09Å; F188-M209 HydrophobicContact CE1-CE 3.74Å; F188-M209 HydrophobicContact CE1-SD 4.13Å; F188-M209 HydrophobicContact CE2-CB 4.19Å; F188-M209 HydrophobicContact CG-CB 4.47Å; F188-M209 HydrophobicContact CG-CE 3.62Å; F188-M209 HydrophobicContact CG-CG 4.46Å; F188-M209 HydrophobicContact CG-SD 3.23Å; F188-M209 WeakPolarHBondContact CG-SD 3.49Å; F188-M209 HydrophobicContact CZ-CB 3.98Å; F188-F212 HydrophobicContact CB-CD1 3.93Å; F188-F212 HydrophobicContact CB-CE1 3.87Å; F188-F212 HydrophobicContact CD2-CB 3.65Å; F188-F212 AromaticContact CD2-CD1 3.63Å; F188-F212 HydrophobicContact CD2-CD1 3.63Å; F188-F212 HydrophobicContact CD2-CD2 4.03Å; F188-F212 HydrophobicContact CD2-CE1 4.19Å; F188-F212 AromaticContact CD2-CG 3.52Å; F188-F212 HydrophobicContact CD2-CG 3.52Å; F188-F212 HydrophobicContact CE2-CB 3.86Å; F188-F212 HydrophobicContact CE2-CG 4.17Å; F188-F212 HydrophobicContact CG-CD1 4.27Å
189	T	93.4	Very high	84.6	Confident	76 Å²	76	75.2 Å²	75.2	47%	0.466	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-40.3	174.6	-61.6	0	0	0	0	111.6	R185 R186 T192 S193	R185-T189 WeakPolarHBondContact O-CB 3.33Å; R185-T189 PolarHBondContact O-N 2.61Å; R185-T189 PolarHBondContact O-OG1 2.9Å; R186-T189 PolarHBondContact O-N 2.82Å; T189-T192 PolarHBondContact O-OG1 3.02Å; T189-S193 VanDerWaalsContact O-CB 3.23Å; T189-S193 WeakPolarHBondContact O-CB 3.06Å; T189-S193 PolarHBondContact O-N 3.23Å
190	S	95.8	Very high	86.8	Confident	80 Å²	80	75 Å²	75	56%	0.559	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-42.4	173.2	176.5	0	0	0	0	111.9	R186 K187 F188 K194	R186-S190 WeakPolarHBondContact O-CB 3.49Å; R186-S190 PolarHBondContact O-N 2.68Å; K187-S190 PolarHBondContact O-N 2.83Å; F188-S190 VanDerWaalsContact C-N 3.29Å; F188-S190 PolarHBondContact O-N 3.39Å; S190-K194 VanDerWaalsContact O-CB 3.23Å; S190-K194 WeakPolarHBondContact O-CB 3.49Å; S190-K194 PolarHBondContact O-N 3.43Å
191	F	96.2	Very high	89	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.013	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-50.3	175.4	158.9	-100.3	0	0	0	112.2	K187 F188 S193 K194 F195 K197 F212 I238 T239 D243	K187-F191 VanDerWaalsContact O-CB 3.31Å; K187-F191 WeakPolarHBondContact O-CB 3.44Å; K187-F191 PolarHBondContact O-N 2.88Å; F188-F191 AromaticContact CD2-CD1 3.84Å; F188-F191 HydrophobicContact CD2-CD1 3.84Å; F188-F191 HydrophobicContact CD2-CE1 4.35Å; F188-F191 AromaticContact CE2-CD1 4Å; F188-F191 HydrophobicContact CE2-CD1 4Å; F188-F191 HydrophobicContact CE2-CE1 4.07Å; F188-F191 CarbonylContact O-C 3.08Å; F188-F191 WeakPolarHBondContact O-CB 3.29Å; F188-F191 PolarHBondContact O-N 2.91Å; F188-F191 VanDerWaalsContact O-N 3.12Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.27Å; F191-K194 PolarHBondContact O-N 3.4Å; F191-F195 AromaticContact CD2-CD2 3.36Å; F191-F195 HydrophobicContact CD2-CD2 3.36Å; F191-F195 AromaticContact CD2-CE2 3.69Å; F191-F195 HydrophobicContact CD2-CE2 3.69Å; F191-F195 AromaticContact CE2-CD2 3.52Å; F191-F195 HydrophobicContact CE2-CD2 3.52Å; F191-F195 HydrophobicContact CE2-CE2 4.02Å; F191-F195 HydrophobicContact CE2-CG 4.41Å; F191-F195 HydrophobicContact CG-CD2 4.33Å; F191-F195 WeakPolarHBondContact O-CD2 3.44Å; F191-F195 PolarHBondContact O-N 3.32Å; F191-K197 HydrophobicContact CE1-CG 3.89Å; F191-K197 HydrophobicContact CZ-CD 4.29Å; F191-K197 HydrophobicContact CZ-CG 3.91Å; F191-F212 HydrophobicContact CB-CD2 4.49Å; F191-F212 HydrophobicContact CB-CE2 3.57Å; F191-F212 HydrophobicContact CB-CZ 3.7Å; F191-F212 AromaticContact CD1-CD2 3.84Å; F191-F212 HydrophobicContact CD1-CD2 3.84Å; F191-F212 AromaticContact CD1-CE2 3.74Å; F191-F212 HydrophobicContact CD1-CE2 3.74Å; F191-F212 HydrophobicContact CD1-CZ 4.46Å; F191-F212 HydrophobicContact CD2-CD2 4.33Å; F191-F212 AromaticContact CD2-CE2 3.75Å; F191-F212 HydrophobicContact CD2-CE2 3.75Å; F191-F212 HydrophobicContact CE1-CD2 4.13Å; F191-F212 HydrophobicContact CE1-CE2 4.38Å; F191-F212 HydrophobicContact CE2-CE2 4.41Å; F191-F212 AromaticContact CG-CD2 3.95Å; F191-F212 HydrophobicContact CG-CD2 3.95Å; F191-F212 AromaticContact CG-CE2 3.38Å; F191-F212 HydrophobicContact CG-CE2 3.38Å; F191-F212 HydrophobicContact CG-CZ 4.04Å; F191-F212 HydrophobicContact CZ-CD2 4.5Å; F191-I238 HydrophobicContact CB-CG2 4.2Å; F191-I238 HydrophobicContact CD2-CG2 3.57Å; F191-I238 HydrophobicContact CE2-CG2 4.44Å; F191-I238 HydrophobicContact CG-CG2 4.27Å; F191-T239 WeakPolarHBondContact CE2-O 3.1Å; F191-D243 HydrophobicContact CE1-CB 3.73Å; F191-D243 HydrophobicContact CZ-CB 3.79Å
192	T	97.3	Very high	90.6	Very high	27 Å²	27	76.6 Å²	76.6	17%	0.166	41%	0.408	C	S	.	.	H	α-helix	trans	-66	-37.4	-179.4	58.7	0	0	0	0	111.6	F188 T189 K196 K197 Y199	F188-T192 HydrophobicContact CD1-CG2 3.79Å; F188-T192 HydrophobicContact CD2-CG2 4.39Å; F188-T192 HydrophobicContact CE1-CG2 3.53Å; F188-T192 HydrophobicContact CE2-CG2 4.15Å; F188-T192 HydrophobicContact CG-CG2 4.27Å; F188-T192 HydrophobicContact CZ-CG2 3.75Å; F188-T192 WeakPolarHBondContact O-CG2 2.94Å; F188-T192 PolarHBondContact O-N 3.35Å; F188-T192 PolarHBondContact O-OG1 3.46Å; T189-T192 PolarHBondContact O-OG1 3.02Å; T192-K196 CarbonylContact O-C 3.59Å; T192-K196 VanDerWaalsContact O-CA 3.26Å; T192-K196 WeakPolarHBondContact O-CA 3.43Å; T192-K196 PolarHBondContact O-N 2.8Å; T192-K197 HydrophobicContact CG2-CB 3.97Å; T192-K197 PolarHBondContact O-N 3.4Å; T192-Y199 HydrophobicContact CG2-CE2 3.8Å
193	S	97.1	Very high	91.7	Very high	94 Å²	94	80.1 Å²	80.1	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-65.3	-47.9	173.4	176.8	0	0	0	0	111.8	T189 F191 K196	T189-S193 VanDerWaalsContact O-CB 3.23Å; T189-S193 WeakPolarHBondContact O-CB 3.06Å; T189-S193 PolarHBondContact O-N 3.23Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.27Å; S193-K196 PolarHBondContact O-N 3.1Å
194	K	97.1	Very high	92.6	Very high	113 Å²	113	81.8 Å²	81.8	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-59.6	-50.9	-179	177.8	177.5	174.4	-177.5	0	111.8	S190 F191 K196	S190-K194 VanDerWaalsContact O-CB 3.23Å; S190-K194 WeakPolarHBondContact O-CB 3.49Å; S190-K194 PolarHBondContact O-N 3.43Å; F191-K194 PolarHBondContact O-N 3.4Å; K194-K196 VanDerWaalsContact C-N 3.32Å
195	F	96.4	Very high	93.4	Very high	27 Å²	27	84.9 Å²	84.9	12%	0.118	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	15.3	-175.6	-59.3	-68.6	0	0	0	113.2	F191 K197 I238 Q240 D475	F191-F195 AromaticContact CD2-CD2 3.36Å; F191-F195 HydrophobicContact CD2-CD2 3.36Å; F191-F195 AromaticContact CD2-CE2 3.69Å; F191-F195 HydrophobicContact CD2-CE2 3.69Å; F191-F195 AromaticContact CE2-CD2 3.52Å; F191-F195 HydrophobicContact CE2-CD2 3.52Å; F191-F195 HydrophobicContact CE2-CE2 4.02Å; F191-F195 HydrophobicContact CE2-CG 4.41Å; F191-F195 HydrophobicContact CG-CD2 4.33Å; F191-F195 WeakPolarHBondContact O-CD2 3.44Å; F191-F195 PolarHBondContact O-N 3.32Å; F195-K197 HydrophobicContact CB-CG 4.12Å; F195-K197 PolarHBondContact O-N 2.87Å; F195-I238 HydrophobicContact CE2-CG2 4.13Å; F195-Q240 HydrophobicContact CB-CB 4.25Å; F195-Q240 HydrophobicContact CD1-CB 3.53Å; F195-Q240 HydrophobicContact CD2-CB 4.44Å; F195-Q240 HydrophobicContact CE1-CB 3.88Å; F195-Q240 HydrophobicContact CG-CB 3.82Å; F195-Q240 HydrophobicContact CZ-CB 4.46Å; F195-D475 HydrophobicContact CE1-CB 3.96Å
196	K	96.1	Very high	93.4	Very high	180 Å²	180	82.4 Å²	82.4	78%	0.783	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	37.9	178.5	-56.6	177.1	-177	174.8	0	113.1	T192 S193 K194 T198	T192-K196 CarbonylContact O-C 3.59Å; T192-K196 VanDerWaalsContact O-CA 3.26Å; T192-K196 WeakPolarHBondContact O-CA 3.43Å; T192-K196 PolarHBondContact O-N 2.8Å; S193-K196 PolarHBondContact O-N 3.1Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K196-T198 PolarHBondContact O-N 3.2Å
197	K	96.3	Very high	93.3	Very high	52 Å²	52	78.8 Å²	78.8	23%	0.226	42%	0.424	C	S	.	.			trans	-68.3	131.4	-177.8	-65.2	-71.2	-169.4	143	0	110.2	F191 T192 F195 Y199 Q240 D243	F191-K197 HydrophobicContact CE1-CG 3.89Å; F191-K197 HydrophobicContact CZ-CD 4.29Å; F191-K197 HydrophobicContact CZ-CG 3.91Å; T192-K197 HydrophobicContact CG2-CB 3.97Å; T192-K197 PolarHBondContact O-N 3.4Å; F195-K197 HydrophobicContact CB-CG 4.12Å; F195-K197 PolarHBondContact O-N 2.87Å; K197-Y199 HydrophobicContact CB-CE2 4.29Å; K197-Q240 WeakPolarHBondContact CE-O 3.3Å; K197-Q240 PolarHBondContact NZ-O 2.97Å; K197-D243 IonicContact NZ-OD1 3.55Å; K197-D243 PolarHBondContact NZ-OD1 3.22Å; K197-D243 IonicContact NZ-OD2 3.18Å; K197-D243 PolarHBondContact NZ-OD2 2.8Å
198	T	95.3	Very high	93.3	Very high	131 Å²	131	76.1 Å²	76.1	80%	0.804	41%	0.411	S	S	*	.			trans	-125.1	147.7	171.2	58.8	0	0	0	0	108.8	K196	K196-T198 PolarHBondContact O-N 3.2Å
199	Y	95.6	Very high	93.1	Very high	41 Å²	41	76.3 Å²	76.3	16%	0.161	41%	0.412	C	S	.	.			trans	-131.8	132.9	-178.9	-52.8	-69.5	0	0	0	108.7	F188 T192 K197 T201 E204 L205 R208 D243	F188-Y199 HydrophobicContact CE1-CE2 4.02Å; F188-Y199 AromaticContact CZ-CE2 3.59Å; F188-Y199 HydrophobicContact CZ-CE2 3.59Å; F188-Y199 AromaticContact CZ-CZ 3.78Å; F188-Y199 WeakPolarHBondContact CZ-OH 3.42Å; T192-Y199 HydrophobicContact CG2-CE2 3.8Å; K197-Y199 HydrophobicContact CB-CE2 4.29Å; Y199-T201 PolarHBondContact O-N 3.07Å; Y199-E204 HydrophobicContact CD1-CG 4.2Å; Y199-E204 HydrophobicContact CG-CG 4.48Å; Y199-L205 HydrophobicContact CD2-CB 3.85Å; Y199-L205 HydrophobicContact CD2-CD1 4.13Å; Y199-L205 HydrophobicContact CD2-CG 3.87Å; Y199-L205 HydrophobicContact CE2-CG 4.38Å; Y199-L205 HydrophobicContact CG-CB 4.24Å; Y199-R208 HydrophobicContact CD1-CB 4.16Å; Y199-R208 HydrophobicContact CD1-CG 3.68Å; Y199-R208 HydrophobicContact CE1-CB 3.62Å; Y199-R208 HydrophobicContact CE1-CG 3.42Å; Y199-R208 VanDerWaalsContact CE1-CG 3.42Å; Y199-R208 HydrophobicContact CE2-CB 4.43Å; Y199-D243 PolarHBondContact OH-OD2 2.81Å
200	A	94.6	Very high	92.4	Very high	105 Å²	105	76 Å²	76	87%	0.868	41%	0.406	S	S	*	.	S	Bend	trans	-62.7	-29.6	-171.5	0	0	0	0	0	113.7
201	T	95.2	Very high	91.7	Very high	77 Å²	77	72.4 Å²	72.4	47%	0.472	38%	0.38	S	S	.	.	S	Bend	trans	-136.7	156.2	-178.3	69.1	0	0	0	0	111.3	Y199 K203 E204 L205	Y199-T201 PolarHBondContact O-N 3.07Å; T201-K203 PolarHBondContact O-N 3.44Å; T201-E204 PolarHBondContact O-N 3.36Å; T201-E204 VanDerWaalsContact O-N 3.14Å; T201-E204 WeakPolarHBondContact OG1-CB 3.27Å; T201-E204 PolarHBondContact OG1-N 3.42Å; T201-L205 PolarHBondContact O-N 2.04Å
202	V	90.8	Very high	91.2	Very high	100 Å²	100	72.2 Å²	72.2	61%	0.606	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-34.4	171.2	177.3	0	0	0	0	111.1	L205 H206	V202-L205 PolarHBondContact O-N 3.48Å; V202-H206 VanDerWaalsContact CG1-CE1 3.46Å; V202-H206 WeakPolarHBondContact CG1-CE1 3.05Å; V202-H206 WeakPolarHBondContact O-CB 3.38Å; V202-H206 VanDerWaalsContact O-CG 3.25Å; V202-H206 PolarHBondContact O-N 2.93Å
203	K	89.4	Confident	90.3	Very high	176 Å²	176	71.3 Å²	71.3	77%	0.765	37%	0.373	S	S	*	.	H	α-helix	trans	-60.8	-46.2	174.8	-175.8	-178.6	176.6	-174.9	0	111.2	T201 H206 H207	T201-K203 PolarHBondContact O-N 3.44Å; K203-H206 PolarHBondContact O-N 2.76Å; K203-H207 PolarHBondContact O-N 2.98Å
204	E	93.5	Very high	89.2	Confident	58 Å²	58	69.9 Å²	69.9	27%	0.271	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-44.8	176.7	-179.4	63.4	-176.8	0	0	111.6	Y199 T201 H206 H207 R208	Y199-E204 HydrophobicContact CD1-CG 4.2Å; Y199-E204 HydrophobicContact CG-CG 4.48Å; T201-E204 PolarHBondContact O-N 3.36Å; T201-E204 VanDerWaalsContact O-N 3.14Å; T201-E204 WeakPolarHBondContact OG1-CB 3.27Å; T201-E204 PolarHBondContact OG1-N 3.42Å; E204-H206 VanDerWaalsContact C-N 3.26Å; E204-H206 PolarHBondContact O-N 3.07Å; E204-H207 WeakPolarHBondContact O-CB 3.26Å; E204-H207 PolarHBondContact O-N 2.95Å; E204-H207 VanDerWaalsContact O-N 3.09Å; E204-R208 HydrophobicContact CG-CG 4.19Å; E204-R208 WeakPolarHBondContact O-CB 3.45Å; E204-R208 VanDerWaalsContact O-CG 3.22Å; E204-R208 WeakPolarHBondContact O-CG 3.21Å; E204-R208 PolarHBondContact O-N 2.78Å; E204-R208 IonicContact OE1-CZ 3.75Å; E204-R208 IonicContact OE1-NE 2.78Å; E204-R208 PolarHBondContact OE1-NE 2.92Å; E204-R208 IonicContact OE1-NH2 3.25Å; E204-R208 PolarHBondContact OE1-NH2 3.13Å
205	L	90.8	Very high	88.5	Confident	65 Å²	65	64.7 Å²	64.7	34%	0.34	33%	0.333	S	S	.	.	H	α-helix	trans	-55.1	-44.4	175	-177.5	154.3	0	0	0	111.4	F188 Y199 T201 V202 M209	F188-L205 HydrophobicContact CE1-CD2 4.45Å; F188-L205 HydrophobicContact CE1-CG 4.36Å; Y199-L205 HydrophobicContact CD2-CB 3.85Å; Y199-L205 HydrophobicContact CD2-CD1 4.13Å; Y199-L205 HydrophobicContact CD2-CG 3.87Å; Y199-L205 HydrophobicContact CE2-CG 4.38Å; Y199-L205 HydrophobicContact CG-CB 4.24Å; T201-L205 PolarHBondContact O-N 2.04Å; V202-L205 PolarHBondContact O-N 3.48Å; L205-M209 WeakPolarHBondContact O-CB 3.14Å; L205-M209 PolarHBondContact O-N 3.39Å
206	H	83.1	Confident	87.7	Confident	75 Å²	75	63.6 Å²	63.6	35%	0.347	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-40.6	177.1	-70.6	165.8	0	0	0	112.5	W179 V202 K203 E204 M209 Q210	W179-H206 AromaticContact CD1-NE2 4Å; V202-H206 VanDerWaalsContact CG1-CE1 3.46Å; V202-H206 WeakPolarHBondContact CG1-CE1 3.05Å; V202-H206 WeakPolarHBondContact O-CB 3.38Å; V202-H206 VanDerWaalsContact O-CG 3.25Å; V202-H206 PolarHBondContact O-N 2.93Å; K203-H206 PolarHBondContact O-N 2.76Å; E204-H206 VanDerWaalsContact C-N 3.26Å; E204-H206 PolarHBondContact O-N 3.07Å; H206-M209 PolarHBondContact O-N 2.61Å; H206-Q210 WeakPolarHBondContact O-CG 3.48Å; H206-Q210 PolarHBondContact O-N 3.46Å; H206-Q210 VanDerWaalsContact O-N 3.1Å
207	H	84.7	Confident	86.5	Confident	81 Å²	81	55.3 Å²	55.3	38%	0.375	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-46.9	176.3	-175.6	46.8	0	0	0	111.5	K203 E204 M209 Q210 I211	K203-H207 PolarHBondContact O-N 2.98Å; E204-H207 WeakPolarHBondContact O-CB 3.26Å; E204-H207 PolarHBondContact O-N 2.95Å; E204-H207 VanDerWaalsContact O-N 3.09Å; H207-M209 PolarHBondContact O-N 2.88Å; H207-Q210 WeakPolarHBondContact O-CB 3.49Å; H207-Q210 PolarHBondContact O-N 3.4Å; H207-Q210 VanDerWaalsContact O-N 3.09Å; H207-I211 PolarHBondContact O-N 2.77Å
208	R	90.7	Very high	85.4	Confident	32 Å²	32	53.8 Å²	53.8	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-37.8	177.4	-66.2	-75.5	173.4	-144.9	-9.1	112.7	F188 Y199 E204 Q210 I211 F212 D243 E248	F188-R208 HydrophobicContact CZ-CB 4.23Å; Y199-R208 HydrophobicContact CD1-CB 4.16Å; Y199-R208 HydrophobicContact CD1-CG 3.68Å; Y199-R208 HydrophobicContact CE1-CB 3.62Å; Y199-R208 HydrophobicContact CE1-CG 3.42Å; Y199-R208 VanDerWaalsContact CE1-CG 3.42Å; Y199-R208 HydrophobicContact CE2-CB 4.43Å; E204-R208 HydrophobicContact CG-CG 4.19Å; E204-R208 WeakPolarHBondContact O-CB 3.45Å; E204-R208 VanDerWaalsContact O-CG 3.22Å; E204-R208 WeakPolarHBondContact O-CG 3.21Å; E204-R208 PolarHBondContact O-N 2.78Å; E204-R208 IonicContact OE1-CZ 3.75Å; E204-R208 IonicContact OE1-NE 2.78Å; E204-R208 PolarHBondContact OE1-NE 2.92Å; E204-R208 IonicContact OE1-NH2 3.25Å; E204-R208 PolarHBondContact OE1-NH2 3.13Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 2.83Å; R208-I211 PolarHBondContact O-N 3.31Å; R208-F212 VanDerWaalsContact O-CB 3.26Å; R208-F212 WeakPolarHBondContact O-CB 3.07Å; R208-F212 PolarHBondContact O-N 2.89Å; R208-D243 HydrophobicContact CB-CB 4.21Å; R208-D243 VanDerWaalsContact CD-O 3.25Å; R208-D243 WeakPolarHBondContact CD-O 3.26Å; R208-D243 PolarHBondContact NH1-O 3.24Å; R208-D243 VanDerWaalsContact NH1-O 3.16Å; R208-E248 IonicContact CZ-OE1 2.64Å; R208-E248 VanDerWaalsContact CZ-OE1 3.3Å; R208-E248 IonicContact NH1-OE1 3.61Å; R208-E248 PolarHBondContact NH1-OE1 3.26Å; R208-E248 IonicContact NH1-OE2 3.38Å; R208-E248 PolarHBondContact NH1-OE2 2.84Å; R208-E248 IonicContact NH2-OE1 3.43Å; R208-E248 PolarHBondContact NH2-OE1 2.97Å
209	M	85.3	Confident	84.6	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.049	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-38	172.3	177.3	83	78.5	0	0	112	A178 V184 R185 F188 L205 H206 H207 Q213	A178-M209 HydrophobicContact CB-CG 3.96Å; V184-M209 HydrophobicContact CG1-SD 4.23Å; R185-M209 HydrophobicContact CG-CE 4.42Å; F188-M209 HydrophobicContact CB-CE 3.79Å; F188-M209 HydrophobicContact CB-SD 3.21Å; F188-M209 WeakPolarHBondContact CB-SD 3.21Å; F188-M209 HydrophobicContact CD1-CB 4.36Å; F188-M209 HydrophobicContact CD1-CE 3.11Å; F188-M209 HydrophobicContact CD1-SD 3.43Å; F188-M209 WeakPolarHBondContact CD1-SD 3.26Å; F188-M209 HydrophobicContact CD2-CB 4.42Å; F188-M209 HydrophobicContact CD2-SD 3.89Å; F188-M209 HydrophobicContact CE1-CB 4.09Å; F188-M209 HydrophobicContact CE1-CE 3.74Å; F188-M209 HydrophobicContact CE1-SD 4.13Å; F188-M209 HydrophobicContact CE2-CB 4.19Å; F188-M209 HydrophobicContact CG-CB 4.47Å; F188-M209 HydrophobicContact CG-CE 3.62Å; F188-M209 HydrophobicContact CG-CG 4.46Å; F188-M209 HydrophobicContact CG-SD 3.23Å; F188-M209 WeakPolarHBondContact CG-SD 3.49Å; F188-M209 HydrophobicContact CZ-CB 3.98Å; L205-M209 WeakPolarHBondContact O-CB 3.14Å; L205-M209 PolarHBondContact O-N 3.39Å; H206-M209 PolarHBondContact O-N 2.61Å; H207-M209 PolarHBondContact O-N 2.88Å; M209-Q213 WeakPolarHBondContact O-CB 3.23Å; M209-Q213 PolarHBondContact O-N 2.64Å
210	Q	79.9	Confident	83.5	Confident	69 Å²	69	49.2 Å²	49.2	32%	0.322	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-48.9	176.5	-71.1	168.5	-21.9	0	0	111.1	A178 H206 H207 R208 F212 Q213 E214	A178-Q210 HydrophobicContact CB-CG 4.2Å; H206-Q210 WeakPolarHBondContact O-CG 3.48Å; H206-Q210 PolarHBondContact O-N 3.46Å; H206-Q210 VanDerWaalsContact O-N 3.1Å; H207-Q210 WeakPolarHBondContact O-CB 3.49Å; H207-Q210 PolarHBondContact O-N 3.4Å; H207-Q210 VanDerWaalsContact O-N 3.09Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 2.83Å; Q210-F212 VanDerWaalsContact C-N 3.28Å; Q210-F212 PolarHBondContact O-N 3.31Å; Q210-Q213 WeakPolarHBondContact O-CB 3.39Å; Q210-Q213 PolarHBondContact O-N 2.87Å; Q210-Q213 VanDerWaalsContact O-N 3.14Å; Q210-E214 WeakPolarHBondContact O-CG 3.11Å; Q210-E214 PolarHBondContact O-N 3.05Å
211	I	81.1	Confident	82.3	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-44.7	175.9	-65.3	164.2	0	0	0	110.4	H207 R208 Q213 E214 N215 D243 L244 T245	H207-I211 PolarHBondContact O-N 2.77Å; R208-I211 PolarHBondContact O-N 3.31Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 3.04Å; I211-E214 WeakPolarHBondContact O-CB 3.37Å; I211-E214 PolarHBondContact O-N 3.39Å; I211-N215 WeakPolarHBondContact CG2-ND2 3.26Å; I211-N215 WeakPolarHBondContact O-CB 3.19Å; I211-N215 VanDerWaalsContact O-CG 3.3Å; I211-N215 PolarHBondContact O-N 2.86Å; I211-N215 PolarHBondContact O-ND2 3.05Å; I211-D243 VanDerWaalsContact CG2-C 3.49Å; I211-D243 WeakPolarHBondContact CG2-O 3.41Å; I211-L244 VanDerWaalsContact CG2-C 3.41Å; I211-T245 HydrophobicContact CD1-CG2 3.75Å; I211-T245 HydrophobicContact CG1-CG2 3.83Å; I211-T245 HydrophobicContact CG2-CG2 4.05Å
212	F	85.1	Confident	81.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-43.2	176.6	179.9	-94.7	0	0	0	113	K187 F188 F191 R208 Q210 E214 N215 L216 I238 S242	K187-F212 HydrophobicContact CB-CE1 3.96Å; K187-F212 HydrophobicContact CB-CZ 4.23Å; F188-F212 HydrophobicContact CB-CD1 3.93Å; F188-F212 HydrophobicContact CB-CE1 3.87Å; F188-F212 HydrophobicContact CD2-CB 3.65Å; F188-F212 AromaticContact CD2-CD1 3.63Å; F188-F212 HydrophobicContact CD2-CD1 3.63Å; F188-F212 HydrophobicContact CD2-CD2 4.03Å; F188-F212 HydrophobicContact CD2-CE1 4.19Å; F188-F212 AromaticContact CD2-CG 3.52Å; F188-F212 HydrophobicContact CD2-CG 3.52Å; F188-F212 HydrophobicContact CE2-CB 3.86Å; F188-F212 HydrophobicContact CE2-CG 4.17Å; F188-F212 HydrophobicContact CG-CD1 4.27Å; F191-F212 HydrophobicContact CB-CD2 4.49Å; F191-F212 HydrophobicContact CB-CE2 3.57Å; F191-F212 HydrophobicContact CB-CZ 3.7Å; F191-F212 AromaticContact CD1-CD2 3.84Å; F191-F212 HydrophobicContact CD1-CD2 3.84Å; F191-F212 AromaticContact CD1-CE2 3.74Å; F191-F212 HydrophobicContact CD1-CE2 3.74Å; F191-F212 HydrophobicContact CD1-CZ 4.46Å; F191-F212 HydrophobicContact CD2-CD2 4.33Å; F191-F212 AromaticContact CD2-CE2 3.75Å; F191-F212 HydrophobicContact CD2-CE2 3.75Å; F191-F212 HydrophobicContact CE1-CD2 4.13Å; F191-F212 HydrophobicContact CE1-CE2 4.38Å; F191-F212 HydrophobicContact CE2-CE2 4.41Å; F191-F212 AromaticContact CG-CD2 3.95Å; F191-F212 HydrophobicContact CG-CD2 3.95Å; F191-F212 AromaticContact CG-CE2 3.38Å; F191-F212 HydrophobicContact CG-CE2 3.38Å; F191-F212 HydrophobicContact CG-CZ 4.04Å; F191-F212 HydrophobicContact CZ-CD2 4.5Å; R208-F212 VanDerWaalsContact O-CB 3.26Å; R208-F212 WeakPolarHBondContact O-CB 3.07Å; R208-F212 PolarHBondContact O-N 2.89Å; Q210-F212 VanDerWaalsContact C-N 3.28Å; Q210-F212 PolarHBondContact O-N 3.31Å; F212-E214 VanDerWaalsContact C-N 3.33Å; F212-E214 PolarHBondContact O-N 2.81Å; F212-N215 PolarHBondContact O-N 2.94Å; F212-L216 HydrophobicContact CD1-CD1 3.96Å; F212-L216 HydrophobicContact CD1-CG 4.14Å; F212-L216 HydrophobicContact CE1-CD1 3.53Å; F212-L216 HydrophobicContact CE1-CD2 4.19Å; F212-L216 HydrophobicContact CE1-CG 3.86Å; F212-L216 HydrophobicContact CZ-CD1 4.25Å; F212-L216 HydrophobicContact CZ-CD2 4.08Å; F212-L216 HydrophobicContact CZ-CG 4.22Å; F212-L216 WeakPolarHBondContact O-CG 3.18Å; F212-L216 PolarHBondContact O-N 3.37Å; F212-I238 HydrophobicContact CE2-CG2 3.95Å; F212-I238 HydrophobicContact CZ-CD1 4.03Å; F212-I238 HydrophobicContact CZ-CG1 4.45Å; F212-I238 HydrophobicContact CZ-CG2 4.41Å; F212-S242 VanDerWaalsContact CA-O 3.28Å; F212-S242 WeakPolarHBondContact CA-O 3.41Å
213	Q	78.4	Confident	80.6	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-45.9	175.2	-175.1	-179	-1	0	0	111.4	P36 R175 A178 V184 M209 Q210 I211 L216 C217	P36-Q213 WeakPolarHBondContact O-CG 3.47Å; P36-Q213 PolarHBondContact O-NE2 3.37Å; R175-Q213 VanDerWaalsContact NH2-OE1 3.13Å; A178-Q213 VanDerWaalsContact CB-OE1 3.26Å; V184-Q213 HydrophobicContact CG1-CB 3.88Å; V184-Q213 HydrophobicContact CG1-CG 4.01Å; V184-Q213 HydrophobicContact CG2-CG 3.99Å; M209-Q213 WeakPolarHBondContact O-CB 3.23Å; M209-Q213 PolarHBondContact O-N 2.64Å; Q210-Q213 WeakPolarHBondContact O-CB 3.39Å; Q210-Q213 PolarHBondContact O-N 2.87Å; Q210-Q213 VanDerWaalsContact O-N 3.14Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 3.04Å; Q213-L216 PolarHBondContact O-N 3.23Å; Q213-C217 PolarHBondContact O-N 2.72Å; Q213-C217 PolarHBondContact O-SG 2.84Å
214	E	74.7	Confident	79.7	Confident	65 Å²	65	38.9 Å²	38.9	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-44.2	177.7	-69.9	166.6	-164.2	0	0	111.1	M107 Q210 I211 F212 L216 C217 R218	M107-E214 HydrophobicContact CE-CB 4.18Å; M107-E214 HydrophobicContact CE-CG 4.41Å; Q210-E214 WeakPolarHBondContact O-CG 3.11Å; Q210-E214 PolarHBondContact O-N 3.05Å; I211-E214 WeakPolarHBondContact O-CB 3.37Å; I211-E214 PolarHBondContact O-N 3.39Å; F212-E214 VanDerWaalsContact C-N 3.33Å; F212-E214 PolarHBondContact O-N 2.81Å; E214-L216 PolarHBondContact O-N 3.41Å; E214-C217 WeakPolarHBondContact O-CB 3.24Å; E214-C217 PolarHBondContact O-N 3.38Å; E214-C217 VanDerWaalsContact O-N 3.1Å; E214-R218 WeakPolarHBondContact O-CG 2.94Å; E214-R218 PolarHBondContact O-N 3.08Å
215	N	81.2	Confident	78.3	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-33.6	178.7	-74.3	-20.7	0	0	0	113.3	I211 F212 C217 R218 I219 S242 L244 F433	I211-N215 WeakPolarHBondContact CG2-ND2 3.26Å; I211-N215 WeakPolarHBondContact O-CB 3.19Å; I211-N215 VanDerWaalsContact O-CG 3.3Å; I211-N215 PolarHBondContact O-N 2.86Å; I211-N215 PolarHBondContact O-ND2 3.05Å; F212-N215 PolarHBondContact O-N 2.94Å; N215-C217 PolarHBondContact O-N 2.62Å; N215-R218 WeakPolarHBondContact O-CB 3.49Å; N215-R218 PolarHBondContact O-N 2.95Å; N215-R218 VanDerWaalsContact OD1-CD 3.26Å; N215-R218 WeakPolarHBondContact OD1-CD 3.09Å; N215-R218 PolarHBondContact OD1-NH1 2.04Å; N215-I219 VanDerWaalsContact O-CG1 3.28Å; N215-I219 WeakPolarHBondContact O-CG1 3.47Å; N215-I219 PolarHBondContact O-N 3.12Å; N215-S242 WeakPolarHBondContact CB-O 3.5Å; N215-S242 PolarHBondContact ND2-O 3.34Å; N215-L244 PolarHBondContact ND2-O 3.46Å; N215-F433 HydrophobicContact CB-CE1 3.72Å; N215-F433 HydrophobicContact CB-CZ 3.66Å; N215-F433 WeakPolarHBondContact OD1-CZ 3.46Å
216	L	79.4	Confident	77.3	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-41.3	170.1	-75	179.6	0	0	0	111.4	P36 K187 F212 Q213 E214 I219 D220 I238	P36-L216 HydrophobicContact CB-CD1 4.37Å; K187-L216 HydrophobicContact CB-CD1 4.28Å; K187-L216 HydrophobicContact CD-CD1 3.73Å; K187-L216 HydrophobicContact CD-CD2 4.21Å; F212-L216 HydrophobicContact CD1-CD1 3.96Å; F212-L216 HydrophobicContact CD1-CG 4.14Å; F212-L216 HydrophobicContact CE1-CD1 3.53Å; F212-L216 HydrophobicContact CE1-CD2 4.19Å; F212-L216 HydrophobicContact CE1-CG 3.86Å; F212-L216 HydrophobicContact CZ-CD1 4.25Å; F212-L216 HydrophobicContact CZ-CD2 4.08Å; F212-L216 HydrophobicContact CZ-CG 4.22Å; F212-L216 WeakPolarHBondContact O-CG 3.18Å; F212-L216 PolarHBondContact O-N 3.37Å; Q213-L216 PolarHBondContact O-N 3.23Å; E214-L216 PolarHBondContact O-N 3.41Å; L216-I219 PolarHBondContact O-N 2.63Å; L216-D220 PolarHBondContact O-N 3.43Å; L216-D220 VanDerWaalsContact O-N 3.07Å; L216-I238 HydrophobicContact CD2-CD1 3.82Å; L216-I238 HydrophobicContact CD2-CG1 3.78Å
217	C	72.1	Confident	76.6	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-70.8	-36.5	177.8	-60.7	0	0	0	0	112.4	C37 W39 Q213 E214 N215 D220 M221	C37-C217 WeakPolarHBondContact CA-SG 3.32Å; C37-C217 HydrophobicContact CB-CB 4.21Å; C37-C217 WeakPolarHBondContact CB-SG 3.42Å; C37-C217 WeakPolarHBondContact SG-CB 3.46Å; C37-C217 CovalentContact SG-SG 2.04Å; C37-C217 PolarHBondContact SG-SG 3.31Å; W39-C217 HydrophobicContact CH2-CB 3.36Å; W39-C217 HydrophobicContact CZ2-CB 3.66Å; W39-C217 HydrophobicContact CZ3-CB 4.36Å; Q213-C217 PolarHBondContact O-N 2.72Å; Q213-C217 PolarHBondContact O-SG 2.84Å; E214-C217 WeakPolarHBondContact O-CB 3.24Å; E214-C217 PolarHBondContact O-N 3.38Å; E214-C217 VanDerWaalsContact O-N 3.1Å; N215-C217 PolarHBondContact O-N 2.62Å; C217-D220 PolarHBondContact O-N 3.12Å; C217-M221 WeakPolarHBondContact O-CB 3.38Å; C217-M221 PolarHBondContact O-N 2.83Å; C217-M221 VanDerWaalsContact O-N 3.07Å
218	R	73.2	Confident	75.5	Confident	20 Å²	20	36.8 Å²	36.8	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-49	171.2	-64.8	176.1	79	171.9	11.8	110.7	F103 E214 N215 D220 M221 F222 E246 D429 F433	F103-R218 HydrophobicContact CE1-CG 4.35Å; F103-R218 HydrophobicContact CZ-CG 4.04Å; E214-R218 WeakPolarHBondContact O-CG 2.94Å; E214-R218 PolarHBondContact O-N 3.08Å; N215-R218 WeakPolarHBondContact O-CB 3.49Å; N215-R218 PolarHBondContact O-N 2.95Å; N215-R218 VanDerWaalsContact OD1-CD 3.26Å; N215-R218 WeakPolarHBondContact OD1-CD 3.09Å; N215-R218 PolarHBondContact OD1-NH1 2.04Å; R218-D220 PolarHBondContact O-N 3.26Å; R218-M221 WeakPolarHBondContact O-CB 3.36Å; R218-M221 PolarHBondContact O-N 2.84Å; R218-F222 HydrophobicContact CB-CD2 4.16Å; R218-F222 HydrophobicContact CB-CE2 3.93Å; R218-F222 WeakPolarHBondContact O-CD2 3.04Å; R218-F222 WeakPolarHBondContact O-CG 3.09Å; R218-F222 PolarHBondContact O-N 2.75Å; R218-E246 IonicContact CZ-OE2 2.8Å; R218-E246 IonicContact NH2-OE2 2.89Å; R218-E246 PolarHBondContact NH2-OE2 3.15Å; R218-D429 VanDerWaalsContact NH2-CB 3.34Å; R218-F433 HydrophobicContact CB-CE2 4.41Å
219	I	78.2	Confident	74	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-49.8	178.1	-73	161.7	0	0	0	111.2	N215 L216 M221 F222 N223 F236 G237 F433	N215-I219 VanDerWaalsContact O-CG1 3.28Å; N215-I219 WeakPolarHBondContact O-CG1 3.47Å; N215-I219 PolarHBondContact O-N 3.12Å; L216-I219 PolarHBondContact O-N 2.63Å; I219-M221 VanDerWaalsContact C-N 3.3Å; I219-M221 PolarHBondContact O-N 2.91Å; I219-F222 PolarHBondContact O-N 3Å; I219-N223 WeakPolarHBondContact O-CB 3.17Å; I219-N223 PolarHBondContact O-N 3.29Å; I219-N223 PolarHBondContact O-ND2 2.79Å; I219-F236 HydrophobicContact CG2-CB 4.24Å; I219-G237 WeakPolarHBondContact CD1-O 3.47Å; I219-F433 HydrophobicContact CD1-CB 4.22Å; I219-F433 HydrophobicContact CD1-CD1 3.83Å; I219-F433 HydrophobicContact CD1-CE1 4.46Å; I219-F433 HydrophobicContact CD1-CG 4.02Å; I219-F433 HydrophobicContact CG1-CB 3.78Å; I219-F433 HydrophobicContact CG1-CD1 4Å; I219-F433 HydrophobicContact CG1-CD2 4.05Å; I219-F433 HydrophobicContact CG1-CG 3.66Å
220	D	73.1	Confident	73	Confident	68 Å²	68	41.1 Å²	41.1	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-42.5	-179.6	-72.5	-17.7	0	0	0	111.2	L216 C217 R218 W224	L216-D220 PolarHBondContact O-N 3.43Å; L216-D220 VanDerWaalsContact O-N 3.07Å; C217-D220 PolarHBondContact O-N 3.12Å; R218-D220 PolarHBondContact O-N 3.26Å; D220-W224 PolarHBondContact O-N 2.92Å; D220-W224 VanDerWaalsContact O-N 3.09Å
221	M	68.5	Low	72.4	Confident	47 Å²	47	47.8 Å²	47.8	23%	0.232	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-46.5	175.8	-177.3	-165.4	65.3	0	0	112.3	L83 F103 C217 R218 I219 W224 K225	L83-M221 HydrophobicContact CD1-CE 4.35Å; F103-M221 HydrophobicContact CD2-CE 3.97Å; F103-M221 HydrophobicContact CD2-SD 3.79Å; F103-M221 HydrophobicContact CE1-CE 4.2Å; F103-M221 HydrophobicContact CE2-CE 3.31Å; F103-M221 HydrophobicContact CE2-SD 3.23Å; F103-M221 WeakPolarHBondContact CE2-SD 3.44Å; F103-M221 HydrophobicContact CZ-CE 3.44Å; F103-M221 VanDerWaalsContact CZ-CE 3.44Å; F103-M221 HydrophobicContact CZ-SD 3.98Å; C217-M221 WeakPolarHBondContact O-CB 3.38Å; C217-M221 PolarHBondContact O-N 2.83Å; C217-M221 VanDerWaalsContact O-N 3.07Å; R218-M221 WeakPolarHBondContact O-CB 3.36Å; R218-M221 PolarHBondContact O-N 2.84Å; I219-M221 VanDerWaalsContact C-N 3.3Å; I219-M221 PolarHBondContact O-N 2.91Å; M221-W224 WeakPolarHBondContact O-CB 3.35Å; M221-W224 PolarHBondContact O-N 3.46Å; M221-K225 PolarHBondContact O-N 2.81Å
222	F	73.3	Confident	72.4	Confident	6 Å²	6	50 Å²	50	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-37.3	-178.6	-71.8	-60.5	0	0	0	112.1	R218 I219 W224 K225 S226 F236 W430	R218-F222 HydrophobicContact CB-CD2 4.16Å; R218-F222 HydrophobicContact CB-CE2 3.93Å; R218-F222 WeakPolarHBondContact O-CD2 3.04Å; R218-F222 WeakPolarHBondContact O-CG 3.09Å; R218-F222 PolarHBondContact O-N 2.75Å; I219-F222 PolarHBondContact O-N 3Å; F222-W224 VanDerWaalsContact C-N 3.31Å; F222-W224 PolarHBondContact O-N 3.23Å; F222-K225 PolarHBondContact O-N 2.81Å; F222-S226 VanDerWaalsContact O-CB 3.29Å; F222-S226 WeakPolarHBondContact O-CB 3.15Å; F222-S226 PolarHBondContact O-N 2.87Å; F222-F236 HydrophobicContact CB-CD2 3.61Å; F222-F236 HydrophobicContact CB-CE2 3.92Å; F222-F236 HydrophobicContact CB-CG 4.11Å; F222-W430 HydrophobicContact CD1-CB 4.14Å; F222-W430 AromaticContact CD1-CD2 3.95Å; F222-W430 HydrophobicContact CD1-CD2 3.95Å; F222-W430 HydrophobicContact CD1-CE3 4.01Å; F222-W430 HydrophobicContact CD1-CG 4.08Å; F222-W430 HydrophobicContact CD2-CB 3.57Å; F222-W430 HydrophobicContact CD2-CG 4.37Å; F222-W430 HydrophobicContact CE1-CB 4.2Å; F222-W430 AromaticContact CE1-CD2 3.58Å; F222-W430 HydrophobicContact CE1-CD2 3.58Å; F222-W430 AromaticContact CE1-CE3 3.15Å; F222-W430 HydrophobicContact CE1-CE3 3.15Å; F222-W430 HydrophobicContact CE1-CG 4.09Å; F222-W430 HydrophobicContact CE1-CH2 4.43Å; F222-W430 AromaticContact CE1-CZ3 3.66Å; F222-W430 HydrophobicContact CE1-CZ3 3.66Å; F222-W430 HydrophobicContact CE2-CB 3.64Å; F222-W430 HydrophobicContact CE2-CD2 4.47Å; F222-W430 HydrophobicContact CE2-CE3 4.08Å; F222-W430 HydrophobicContact CE2-CG 4.39Å; F222-W430 HydrophobicContact CG-CB 3.87Å; F222-W430 HydrophobicContact CG-CG 4.25Å; F222-W430 HydrophobicContact CZ-CB 3.97Å; F222-W430 AromaticContact CZ-CD2 3.89Å; F222-W430 HydrophobicContact CZ-CD2 3.89Å; F222-W430 AromaticContact CZ-CE3 3.22Å; F222-W430 HydrophobicContact CZ-CE3 3.22Å; F222-W430 HydrophobicContact CZ-CG 4.26Å; F222-W430 AromaticContact CZ-CZ3 3.92Å; F222-W430 HydrophobicContact CZ-CZ3 3.92Å
223	N	77	Confident	72.3	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-60.4	-42	171.9	-82.1	-35.7	0	0	0	112	I219 S227 F236	I219-N223 WeakPolarHBondContact O-CB 3.17Å; I219-N223 PolarHBondContact O-N 3.29Å; I219-N223 PolarHBondContact O-ND2 2.79Å; N223-S227 WeakPolarHBondContact O-CB 3.3Å; N223-S227 PolarHBondContact O-N 2.86Å; N223-S227 PolarHBondContact O-OG 2.76Å; N223-F236 PolarHBondContact ND2-O 2.89Å; N223-F236 PolarHBondContact OD1-N 2.62Å; N223-F236 PolarHBondContact OD1-O 2.9Å
224	W	69.6	Low	72.9	Confident	140 Å²	140	50 Å²	50	53%	0.53	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-43.4	175.3	176.7	83.6	0	0	0	112.4	A121 D220 M221 F222 S227 M228	A121-W224 HydrophobicContact CB-CZ2 4.06Å; D220-W224 PolarHBondContact O-N 2.92Å; D220-W224 VanDerWaalsContact O-N 3.09Å; M221-W224 WeakPolarHBondContact O-CB 3.35Å; M221-W224 PolarHBondContact O-N 3.46Å; F222-W224 VanDerWaalsContact C-N 3.31Å; F222-W224 PolarHBondContact O-N 3.23Å; W224-S227 PolarHBondContact O-N 2.92Å; W224-S227 PolarHBondContact O-OG 3.45Å; W224-M228 HydrophobicContact CD2-CE 3.86Å; W224-M228 VanDerWaalsContact CE2-CE 3.43Å; W224-M228 HydrophobicContact CE3-CE 3.83Å; W224-M228 HydrophobicContact CH2-CE 3.06Å; W224-M228 HydrophobicContact CZ2-CE 3.04Å; W224-M228 HydrophobicContact CZ3-CE 3.45Å; W224-M228 VanDerWaalsContact CZ3-CE 3.45Å
225	K	64.4	Low	73.7	Confident	48 Å²	48	52.8 Å²	52.8	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-44.6	176.6	-177.7	178.8	178.1	-176.8	0	111.6	M221 F222 S227 M228	M221-K225 PolarHBondContact O-N 2.81Å; F222-K225 PolarHBondContact O-N 2.81Å; K225-S227 VanDerWaalsContact C-N 3.32Å; K225-S227 PolarHBondContact O-N 3.18Å; K225-M228 WeakPolarHBondContact O-CB 3.12Å; K225-M228 PolarHBondContact O-N 3.4Å
226	S	70	Confident	74.1	Confident	2 Å²	2	53 Å²	53	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-40.6	-179.2	-146.2	0	0	0	0	111	F222 M228 N229 A233 A234 Q443	F222-S226 VanDerWaalsContact O-CB 3.29Å; F222-S226 WeakPolarHBondContact O-CB 3.15Å; F222-S226 PolarHBondContact O-N 2.87Å; S226-M228 PolarHBondContact O-N 2.86Å; S226-M228 VanDerWaalsContact O-N 3.11Å; S226-N229 PolarHBondContact O-N 2.83Å; S226-N229 VanDerWaalsContact O-N 3.12Å; S226-A233 WeakPolarHBondContact O-CB 3.36Å; S226-A233 WeakPolarHBondContact OG-CB 3.23Å; S226-A234 WeakPolarHBondContact CB-O 3.41Å; S226-A234 PolarHBondContact OG-N 3.2Å; S226-A234 PolarHBondContact OG-O 3.42Å; S226-Q443 PolarHBondContact OG-NE2 3.14Å
227	S	69.2	Low	74.7	Confident	81 Å²	81	53.5 Å²	53.5	57%	0.566	26%	0.262	S	S	*	.	H	α-helix	trans	-66.5	-13	-178.1	73	0	0	0	0	114.9	N223 W224 K225 N229	N223-S227 WeakPolarHBondContact O-CB 3.3Å; N223-S227 PolarHBondContact O-N 2.86Å; N223-S227 PolarHBondContact O-OG 2.76Å; W224-S227 PolarHBondContact O-N 2.92Å; W224-S227 PolarHBondContact O-OG 3.45Å; K225-S227 VanDerWaalsContact C-N 3.32Å; K225-S227 PolarHBondContact O-N 3.18Å; S227-N229 VanDerWaalsContact C-N 3.34Å
228	M	61.2	Low	75.8	Confident	104 Å²	104	56 Å²	56	51%	0.512	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.1	173.2	-64.4	-173.7	169.6	0	0	113.3	W224 K225 S226	W224-M228 HydrophobicContact CD2-CE 3.86Å; W224-M228 VanDerWaalsContact CE2-CE 3.43Å; W224-M228 HydrophobicContact CE3-CE 3.83Å; W224-M228 HydrophobicContact CH2-CE 3.06Å; W224-M228 HydrophobicContact CZ2-CE 3.04Å; W224-M228 HydrophobicContact CZ3-CE 3.45Å; W224-M228 VanDerWaalsContact CZ3-CE 3.45Å; K225-M228 WeakPolarHBondContact O-CB 3.12Å; K225-M228 PolarHBondContact O-N 3.4Å; S226-M228 PolarHBondContact O-N 2.86Å; S226-M228 VanDerWaalsContact O-N 3.11Å
229	N	59	Low	77	Confident	84 Å²	84	55 Å²	55	45%	0.449	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-31.1	-163.1	-70.2	-14.1	0	0	0	114	S226 S227	S226-N229 PolarHBondContact O-N 2.83Å; S226-N229 VanDerWaalsContact O-N 3.12Å; S227-N229 VanDerWaalsContact C-N 3.34Å
230	D	64.1	Low	77.8	Confident	48 Å²	48	56.6 Å²	56.6	26%	0.257	28%	0.278	S	S	.	.			trans	-170.8	160.2	-173.9	-166.1	6.2	0	0	0	113.5	Q232 A233 T463	D230-Q232 VanDerWaalsContact C-N 3.28Å; D230-Q232 PolarHBondContact O-N 2.9Å; D230-Q232 WeakPolarHBondContact OD2-CB 3.43Å; D230-A233 VanDerWaalsContact O-CB 3.24Å; D230-A233 WeakPolarHBondContact O-CB 3.46Å; D230-A233 PolarHBondContact O-N 2.84Å; D230-T463 PolarHBondContact OD2-OG1 3.2Å
231	K	67.3	Low	79	Confident	210 Å²	210	53.4 Å²	53.4	91%	0.913	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.5	165.9	-67.9	-176.5	-179.2	178.5	0	113
232	Q	80.8	Confident	80.2	Confident	50 Å²	50	51.2 Å²	51.2	23%	0.234	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.2	176.3	-59.4	-165.8	-29.9	0	0	113.9	D230 V438 P462 T463	D230-Q232 VanDerWaalsContact C-N 3.28Å; D230-Q232 PolarHBondContact O-N 2.9Å; D230-Q232 WeakPolarHBondContact OD2-CB 3.43Å; Q232-V438 HydrophobicContact CB-CG2 4.32Å; Q232-V438 PolarHBondContact O-N 3.32Å; Q232-P462 HydrophobicContact CG-CB 4.4Å; Q232-P462 VanDerWaalsContact NE2-CD 3.28Å; Q232-T463 PolarHBondContact OE1-O 3.18Å
233	A	84.4	Confident	81.2	Confident	7 Å²	7	51.1 Å²	51.1	6%	0.058	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-54	143.2	-176.3	0	0	0	0	0	113.2	S226 D230 K235	S226-A233 WeakPolarHBondContact O-CB 3.36Å; S226-A233 WeakPolarHBondContact OG-CB 3.23Å; D230-A233 VanDerWaalsContact O-CB 3.24Å; D230-A233 WeakPolarHBondContact O-CB 3.46Å; D230-A233 PolarHBondContact O-N 2.84Å; A233-K235 PolarHBondContact O-N 3.47Å
234	A	90.1	Very high	81.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	24%	0.242	C	C	.	.			trans	-52.7	133.4	174	0	0	0	0	0	111.2	S226 F236 Y434 T436 V438 L439	S226-A234 WeakPolarHBondContact CB-O 3.41Å; S226-A234 PolarHBondContact OG-N 3.2Å; S226-A234 PolarHBondContact OG-O 3.42Å; A234-F236 HydrophobicContact CB-CE2 4.03Å; A234-F236 HydrophobicContact CB-CZ 3.86Å; A234-Y434 HydrophobicContact CB-CD2 4.43Å; A234-Y434 HydrophobicContact CB-CE2 4.41Å; A234-T436 CarbonylContact C-O 3.54Å; A234-T436 WeakPolarHBondContact CA-O 3.34Å; A234-V438 PolarHBondContact N-O 2.78Å; A234-L439 HydrophobicContact CB-CB 4.48Å; A234-L439 HydrophobicContact CB-CD1 4.13Å
235	K	91	Very high	82.7	Confident	123 Å²	123	45 Å²	45	54%	0.535	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.3	176	-59.8	-176.5	-175.7	173.4	0	109.5	A233 K435 T436	A233-K235 PolarHBondContact O-N 3.47Å; K235-K435 PolarHBondContact O-N 3.41Å; K235-T436 HydrophobicContact CB-CG2 3.81Å; K235-T436 HydrophobicContact CD-CG2 3.89Å; K235-T436 HydrophobicContact CG-CG2 4.15Å; K235-T436 PolarHBondContact N-O 3.27Å; K235-T436 PolarHBondContact O-N 3.48Å
236	F	89.4	Confident	83.5	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.2	-178.3	-56	-81.2	0	0	0	109.9	I219 F222 N223 A234 W430 F433 L439	I219-F236 HydrophobicContact CG2-CB 4.24Å; F222-F236 HydrophobicContact CB-CD2 3.61Å; F222-F236 HydrophobicContact CB-CE2 3.92Å; F222-F236 HydrophobicContact CB-CG 4.11Å; N223-F236 PolarHBondContact ND2-O 2.89Å; N223-F236 PolarHBondContact OD1-N 2.62Å; N223-F236 PolarHBondContact OD1-O 2.9Å; A234-F236 HydrophobicContact CB-CE2 4.03Å; A234-F236 HydrophobicContact CB-CZ 3.86Å; F236-W430 HydrophobicContact CD1-CB 4.34Å; F236-W430 HydrophobicContact CE1-CB 4.11Å; F236-W430 AromaticContact CE1-CD1 3.48Å; F236-W430 VanDerWaalsContact CE1-CD1 3.48Å; F236-W430 HydrophobicContact CE1-CG 4.12Å; F236-W430 AromaticContact CZ-CD1 3.52Å; F236-W430 HydrophobicContact CZ-CG 4.26Å; F236-F433 CarbonylContact C-O 3.52Å; F236-F433 VanDerWaalsContact CA-O 3.24Å; F236-F433 WeakPolarHBondContact CA-O 3.38Å; F236-F433 HydrophobicContact CB-CB 4.15Å; F236-F433 HydrophobicContact CD1-CB 4.27Å; F236-L439 HydrophobicContact CZ-CD1 4.18Å
237	G	93.2	Very high	84.1	Confident	14 Å²	14	53 Å²	53	14%	0.144	26%	0.264	C	S	.	.			trans	-165.5	-176.7	-176.8	0	0	0	0	0	112.1	I219 T239 F433	I219-G237 WeakPolarHBondContact CD1-O 3.47Å; G237-T239 PolarHBondContact O-N 3.47Å; G237-F433 PolarHBondContact N-O 3.02Å
238	I	95.8	Very high	85	Confident	57 Å²	57	51.6 Å²	51.6	29%	0.292	25%	0.249	S	C	.	.			trans	-70	114.8	178.5	-58.5	171.3	0	0	0	108.8	F191 F195 F212 L216 S242	F191-I238 HydrophobicContact CB-CG2 4.2Å; F191-I238 HydrophobicContact CD2-CG2 3.57Å; F191-I238 HydrophobicContact CE2-CG2 4.44Å; F191-I238 HydrophobicContact CG-CG2 4.27Å; F195-I238 HydrophobicContact CE2-CG2 4.13Å; F212-I238 HydrophobicContact CE2-CG2 3.95Å; F212-I238 HydrophobicContact CZ-CD1 4.03Å; F212-I238 HydrophobicContact CZ-CG1 4.45Å; F212-I238 HydrophobicContact CZ-CG2 4.41Å; L216-I238 HydrophobicContact CD2-CD1 3.82Å; L216-I238 HydrophobicContact CD2-CG1 3.78Å; I238-S242 WeakPolarHBondContact CA-OG 3.31Å
239	T	96.9	Very high	86.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.			trans	-109.4	173.2	170	63.8	0	0	0	0	110	F191 G237 Y241 S242 Q432 K435	F191-T239 WeakPolarHBondContact CE2-O 3.1Å; G237-T239 PolarHBondContact O-N 3.47Å; T239-Y241 PolarHBondContact O-N 3.38Å; T239-Y241 PolarHBondContact OG1-N 3.14Å; T239-S242 PolarHBondContact N-OG 3.49Å; T239-S242 WeakPolarHBondContact O-CB 3.32Å; T239-S242 PolarHBondContact O-N 3.1Å; T239-S242 VanDerWaalsContact O-N 3.08Å; T239-S242 PolarHBondContact O-OG 3.26Å; T239-Q432 WeakPolarHBondContact CB-O 3.22Å; T239-Q432 WeakPolarHBondContact CG2-O 3.21Å; T239-Q432 PolarHBondContact OG1-O 2.62Å; T239-K435 HydrophobicContact CG2-CD 3.86Å
240	Q	95.9	Very high	87.8	Confident	41 Å²	41	44.4 Å²	44.4	19%	0.192	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.4	173.5	60.7	-179	-28.3	0	0	114.4	F195 K197 E296 W472	F195-Q240 HydrophobicContact CB-CB 4.25Å; F195-Q240 HydrophobicContact CD1-CB 3.53Å; F195-Q240 HydrophobicContact CD2-CB 4.44Å; F195-Q240 HydrophobicContact CE1-CB 3.88Å; F195-Q240 HydrophobicContact CG-CB 3.82Å; F195-Q240 HydrophobicContact CZ-CB 4.46Å; K197-Q240 WeakPolarHBondContact CE-O 3.3Å; K197-Q240 PolarHBondContact NZ-O 2.97Å; Q240-E296 PolarHBondContact NE2-OE2 3.07Å; Q240-W472 PolarHBondContact NE2-O 3.39Å
241	Y	97	Very high	88.9	Confident	2 Å²	2	46 Å²	46	1%	0.008	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	10.3	179.5	-46.3	-62	0	0	0	112.8	T239 D243 L244 F249 Y253 E296 Q432 W472 W476	T239-Y241 PolarHBondContact O-N 3.38Å; T239-Y241 PolarHBondContact OG1-N 3.14Å; Y241-D243 PolarHBondContact O-N 3.12Å; Y241-L244 HydrophobicContact CD1-CD1 4.02Å; Y241-L244 PolarHBondContact O-N 3.22Å; Y241-L244 VanDerWaalsContact O-N 3.11Å; Y241-F249 HydrophobicContact CD1-CD2 4.13Å; Y241-F249 AromaticContact CD1-CE2 3.84Å; Y241-F249 HydrophobicContact CD1-CE2 3.84Å; Y241-F249 HydrophobicContact CD2-CD2 4.39Å; Y241-F249 AromaticContact CD2-CE2 3.6Å; Y241-F249 HydrophobicContact CD2-CE2 3.6Å; Y241-F249 HydrophobicContact CD2-CZ 4.35Å; Y241-F249 HydrophobicContact CE1-CE2 4.24Å; Y241-F249 HydrophobicContact CE2-CE2 4Å; Y241-F249 AromaticContact CG-CD2 3.87Å; Y241-F249 HydrophobicContact CG-CD2 3.87Å; Y241-F249 AromaticContact CG-CE2 3.49Å; Y241-F249 HydrophobicContact CG-CE2 3.49Å; Y241-F249 VanDerWaalsContact CG-CE2 3.49Å; Y241-Y253 HydrophobicContact CD1-CD1 4.5Å; Y241-Y253 AromaticContact CD1-CE1 3.92Å; Y241-Y253 HydrophobicContact CD1-CE1 3.92Å; Y241-Y253 HydrophobicContact CD1-CE2 4.47Å; Y241-Y253 AromaticContact CD1-CZ 3.89Å; Y241-Y253 AromaticContact CE1-CD1 3.87Å; Y241-Y253 HydrophobicContact CE1-CD1 3.87Å; Y241-Y253 AromaticContact CE1-CE1 3.28Å; Y241-Y253 HydrophobicContact CE1-CE1 3.28Å; Y241-Y253 AromaticContact CE1-CZ 3.71Å; Y241-E296 PolarHBondContact OH-OE1 2.85Å; Y241-E296 PolarHBondContact OH-OE2 3.04Å; Y241-Q432 PolarHBondContact O-NE2 2.98Å; Y241-W472 HydrophobicContact CE2-CB 3.97Å; Y241-W472 HydrophobicContact CE2-CG 4.43Å; Y241-W472 VanDerWaalsContact OH-C 3.24Å; Y241-W472 WeakPolarHBondContact OH-CA 3.05Å; Y241-W472 WeakPolarHBondContact OH-CB 3.41Å; Y241-W472 PolarHBondContact OH-O 3.14Å; Y241-W476 AromaticContact CD2-CD1 3.95Å; Y241-W476 HydrophobicContact CE2-CB 4.24Å; Y241-W476 AromaticContact CE2-CD1 3.78Å; Y241-W476 HydrophobicContact CE2-CG 4.18Å
242	S	95	Very high	90	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.6	-173.8	-57.3	0	0	0	0	114	F212 N215 I238 T239	F212-S242 VanDerWaalsContact CA-O 3.28Å; F212-S242 WeakPolarHBondContact CA-O 3.41Å; N215-S242 WeakPolarHBondContact CB-O 3.5Å; N215-S242 PolarHBondContact ND2-O 3.34Å; I238-S242 WeakPolarHBondContact CA-OG 3.31Å; T239-S242 PolarHBondContact N-OG 3.49Å; T239-S242 WeakPolarHBondContact O-CB 3.32Å; T239-S242 PolarHBondContact O-N 3.1Å; T239-S242 VanDerWaalsContact O-N 3.08Å; T239-S242 PolarHBondContact O-OG 3.26Å
243	D	93.8	Very high	90.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5	175.6	61.8	-25.2	0	0	0	113.9	F191 K197 Y199 R208 I211 Y241	F191-D243 HydrophobicContact CE1-CB 3.73Å; F191-D243 HydrophobicContact CZ-CB 3.79Å; K197-D243 IonicContact NZ-OD1 3.55Å; K197-D243 PolarHBondContact NZ-OD1 3.22Å; K197-D243 IonicContact NZ-OD2 3.18Å; K197-D243 PolarHBondContact NZ-OD2 2.8Å; Y199-D243 PolarHBondContact OH-OD2 2.81Å; R208-D243 HydrophobicContact CB-CB 4.21Å; R208-D243 VanDerWaalsContact CD-O 3.25Å; R208-D243 WeakPolarHBondContact CD-O 3.26Å; R208-D243 PolarHBondContact NH1-O 3.24Å; R208-D243 VanDerWaalsContact NH1-O 3.16Å; I211-D243 VanDerWaalsContact CG2-C 3.49Å; I211-D243 WeakPolarHBondContact CG2-O 3.41Å; Y241-D243 PolarHBondContact O-N 3.12Å
244	L	92.4	Very high	91.2	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	19%	0.193	C	C	.	.	S	Bend	trans	-101.8	138	177.3	-57.5	-176.9	0	0	0	110.7	I211 N215 Y241 E248 F249 Y253 Q432	I211-L244 VanDerWaalsContact CG2-C 3.41Å; N215-L244 PolarHBondContact ND2-O 3.46Å; Y241-L244 HydrophobicContact CD1-CD1 4.02Å; Y241-L244 PolarHBondContact O-N 3.22Å; Y241-L244 VanDerWaalsContact O-N 3.11Å; L244-E248 HydrophobicContact CB-CB 4.44Å; L244-F249 HydrophobicContact CD1-CD2 4.29Å; L244-Y253 HydrophobicContact CD1-CD2 4.34Å; L244-Y253 HydrophobicContact CD1-CE2 3.45Å; L244-Y253 VanDerWaalsContact CD1-CE2 3.45Å; L244-Q432 PolarHBondContact O-NE2 3.44Å
245	T	85.4	Confident	91.4	Very high	43 Å²	43	37.4 Å²	37.4	26%	0.264	20%	0.198	S	C	.	.			trans	-65.2	158	165.5	62.5	0	0	0	0	109.5	I211 K247 E248 F249	I211-T245 HydrophobicContact CD1-CG2 3.75Å; I211-T245 HydrophobicContact CG1-CG2 3.83Å; I211-T245 HydrophobicContact CG2-CG2 4.05Å; T245-K247 PolarHBondContact O-N 3.07Å; T245-E248 WeakPolarHBondContact CB-OE2 3.37Å; T245-E248 PolarHBondContact N-OE2 3.09Å; T245-E248 PolarHBondContact O-N 3.07Å; T245-E248 WeakPolarHBondContact OG1-CB 3.24Å; T245-E248 WeakPolarHBondContact OG1-CG 3.47Å; T245-E248 PolarHBondContact OG1-N 3.42Å; T245-E248 VanDerWaalsContact OG1-N 3.16Å; T245-E248 PolarHBondContact OG1-OE2 3.09Å; T245-F249 WeakPolarHBondContact O-CB 3.28Å; T245-F249 PolarHBondContact O-N 2.87Å
246	E	81.7	Confident	91.7	Very high	55 Å²	55	32.4 Å²	32.4	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-55.1	-43.1	173.6	171.7	-163.2	138.8	0	0	111.9	R218 F249 S250 D429	R218-E246 IonicContact CZ-OE2 2.8Å; R218-E246 IonicContact NH2-OE2 2.89Å; R218-E246 PolarHBondContact NH2-OE2 3.15Å; E246-F249 PolarHBondContact O-N 3.39Å; E246-S250 WeakPolarHBondContact O-CB 3.43Å; E246-S250 PolarHBondContact O-N 2.91Å; E246-S250 PolarHBondContact O-OG 3.25Å; E246-S250 VanDerWaalsContact O-OG 3.05Å; E246-D429 HydrophobicContact CG-CB 3.7Å; E246-D429 VanDerWaalsContact OE1-CG 3.3Å; E246-D429 VanDerWaalsContact OE2-CB 3.3Å; E246-D429 WeakPolarHBondContact OE2-CB 3.49Å; E246-D429 VanDerWaalsContact OE2-CG 3.3Å
247	K	83.1	Confident	92.1	Very high	163 Å²	163	34.8 Å²	34.8	71%	0.709	19%	0.188	S	C	*	.	H	α-helix	trans	-63.9	-44.8	-179.9	-174.7	179.8	177.7	-176.3	0	111.8	T245 F249 S250 S251	T245-K247 PolarHBondContact O-N 3.07Å; K247-F249 VanDerWaalsContact C-N 3.28Å; K247-F249 PolarHBondContact O-N 2.91Å; K247-S250 PolarHBondContact O-OG 3.35Å; K247-S251 WeakPolarHBondContact O-CB 3.49Å; K247-S251 PolarHBondContact O-N 3.31Å; K247-S251 PolarHBondContact O-OG 2.94Å
248	E	88.2	Confident	92	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-39.2	174.7	-73.7	168.3	128.3	0	0	111.3	R208 L244 T245 S251 S252	R208-E248 IonicContact CZ-OE1 2.64Å; R208-E248 VanDerWaalsContact CZ-OE1 3.3Å; R208-E248 IonicContact NH1-OE1 3.61Å; R208-E248 PolarHBondContact NH1-OE1 3.26Å; R208-E248 IonicContact NH1-OE2 3.38Å; R208-E248 PolarHBondContact NH1-OE2 2.84Å; R208-E248 IonicContact NH2-OE1 3.43Å; R208-E248 PolarHBondContact NH2-OE1 2.97Å; L244-E248 HydrophobicContact CB-CB 4.44Å; T245-E248 WeakPolarHBondContact CB-OE2 3.37Å; T245-E248 PolarHBondContact N-OE2 3.09Å; T245-E248 PolarHBondContact O-N 3.07Å; T245-E248 WeakPolarHBondContact OG1-CB 3.24Å; T245-E248 WeakPolarHBondContact OG1-CG 3.47Å; T245-E248 PolarHBondContact OG1-N 3.42Å; T245-E248 VanDerWaalsContact OG1-N 3.16Å; T245-E248 PolarHBondContact OG1-OE2 3.09Å; E248-S251 PolarHBondContact O-OG 3.24Å; E248-S252 VanDerWaalsContact O-CB 3.27Å; E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 2.84Å; E248-S252 PolarHBondContact O-OG 3.42Å; E248-S252 VanDerWaalsContact O-OG 3.11Å
249	F	91	Very high	91.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-54	179.1	-174.8	-96	0	0	0	111.4	Y241 L244 T245 E246 K247 S251 S252 Y253 V427 Q432 W472	Y241-F249 HydrophobicContact CD1-CD2 4.13Å; Y241-F249 AromaticContact CD1-CE2 3.84Å; Y241-F249 HydrophobicContact CD1-CE2 3.84Å; Y241-F249 HydrophobicContact CD2-CD2 4.39Å; Y241-F249 AromaticContact CD2-CE2 3.6Å; Y241-F249 HydrophobicContact CD2-CE2 3.6Å; Y241-F249 HydrophobicContact CD2-CZ 4.35Å; Y241-F249 HydrophobicContact CE1-CE2 4.24Å; Y241-F249 HydrophobicContact CE2-CE2 4Å; Y241-F249 AromaticContact CG-CD2 3.87Å; Y241-F249 HydrophobicContact CG-CD2 3.87Å; Y241-F249 AromaticContact CG-CE2 3.49Å; Y241-F249 HydrophobicContact CG-CE2 3.49Å; Y241-F249 VanDerWaalsContact CG-CE2 3.49Å; L244-F249 HydrophobicContact CD1-CD2 4.29Å; T245-F249 WeakPolarHBondContact O-CB 3.28Å; T245-F249 PolarHBondContact O-N 2.87Å; E246-F249 PolarHBondContact O-N 3.39Å; K247-F249 VanDerWaalsContact C-N 3.28Å; K247-F249 PolarHBondContact O-N 2.91Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 3.28Å; F249-S252 PolarHBondContact O-N 3.25Å; F249-Y253 AromaticContact CD2-CD2 3.72Å; F249-Y253 HydrophobicContact CD2-CD2 3.72Å; F249-Y253 HydrophobicContact CD2-CE2 4.24Å; F249-Y253 AromaticContact CD2-CG 3.94Å; F249-Y253 HydrophobicContact CD2-CG 3.94Å; F249-Y253 HydrophobicContact CE2-CD1 4.23Å; F249-Y253 HydrophobicContact CE2-CD2 4.08Å; F249-Y253 AromaticContact CE2-CG 3.81Å; F249-Y253 HydrophobicContact CE2-CG 3.81Å; F249-Y253 HydrophobicContact CG-CD2 4.33Å; F249-Y253 HydrophobicContact CZ-CG 4.44Å; F249-Y253 VanDerWaalsContact O-CB 3.31Å; F249-Y253 WeakPolarHBondContact O-CB 3.36Å; F249-Y253 WeakPolarHBondContact O-CD2 3.37Å; F249-Y253 PolarHBondContact O-N 3.08Å; F249-V427 HydrophobicContact CD1-CG1 4.3Å; F249-V427 HydrophobicContact CE1-CG1 3.89Å; F249-Q432 HydrophobicContact CB-CB 4.48Å; F249-Q432 HydrophobicContact CD1-CB 3.61Å; F249-Q432 HydrophobicContact CD2-CB 3.67Å; F249-Q432 HydrophobicContact CE1-CB 3.61Å; F249-Q432 HydrophobicContact CE2-CB 3.68Å; F249-Q432 HydrophobicContact CG-CB 3.62Å; F249-Q432 HydrophobicContact CG-CG 4.46Å; F249-Q432 HydrophobicContact CZ-CB 3.65Å; F249-W472 HydrophobicContact CE1-CE3 4.49Å; F249-W472 AromaticContact CE1-CH2 3.58Å; F249-W472 HydrophobicContact CE1-CH2 3.58Å; F249-W472 AromaticContact CE1-CZ2 3.85Å; F249-W472 HydrophobicContact CE1-CZ2 3.85Å; F249-W472 AromaticContact CE1-CZ3 3.92Å; F249-W472 HydrophobicContact CE1-CZ3 3.92Å; F249-W472 AromaticContact CZ-CD2 3.86Å; F249-W472 HydrophobicContact CZ-CD2 3.86Å; F249-W472 AromaticContact CZ-CE2 3.81Å; F249-W472 AromaticContact CZ-CE3 3.71Å; F249-W472 HydrophobicContact CZ-CE3 3.71Å; F249-W472 AromaticContact CZ-CH2 3.6Å; F249-W472 HydrophobicContact CZ-CH2 3.6Å; F249-W472 AromaticContact CZ-CZ2 3.71Å; F249-W472 HydrophobicContact CZ-CZ2 3.71Å; F249-W472 AromaticContact CZ-CZ3 3.58Å; F249-W472 HydrophobicContact CZ-CZ3 3.58Å
250	S	87.6	Confident	91.5	Very high	32 Å²	32	45.9 Å²	45.9	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-37.9	-178.7	61.4	0	0	0	0	112.2	E246 K247 S252 T254	E246-S250 WeakPolarHBondContact O-CB 3.43Å; E246-S250 PolarHBondContact O-N 2.91Å; E246-S250 PolarHBondContact O-OG 3.25Å; E246-S250 VanDerWaalsContact O-OG 3.05Å; K247-S250 PolarHBondContact O-OG 3.35Å; S250-S252 VanDerWaalsContact C-N 3.35Å; S250-S252 PolarHBondContact O-N 3.27Å; S250-T254 WeakPolarHBondContact O-CB 3.36Å; S250-T254 WeakPolarHBondContact O-CG2 3.38Å; S250-T254 PolarHBondContact O-OG1 3.37Å
251	S	87	Confident	91.3	Very high	81 Å²	81	46 Å²	46	57%	0.566	24%	0.242	S	C	*	.	H	α-helix	trans	-69.7	-29.4	179.6	67.4	0	0	0	0	114.3	K247 E248 F249	K247-S251 WeakPolarHBondContact O-CB 3.49Å; K247-S251 PolarHBondContact O-N 3.31Å; K247-S251 PolarHBondContact O-OG 2.94Å; E248-S251 PolarHBondContact O-OG 3.24Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 3.28Å
252	S	90.4	Very high	91	Very high	36 Å²	36	51 Å²	51	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-111	-23.8	-168.5	-53.3	0	0	0	0	113.6	E248 F249 S250 P299 C300	E248-S252 VanDerWaalsContact O-CB 3.27Å; E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 2.84Å; E248-S252 PolarHBondContact O-OG 3.42Å; E248-S252 VanDerWaalsContact O-OG 3.11Å; F249-S252 PolarHBondContact O-N 3.25Å; S250-S252 VanDerWaalsContact C-N 3.35Å; S250-S252 PolarHBondContact O-N 3.27Å; S252-P299 CarbonylContact O-C 3.41Å; S252-C300 CarbonylContact O-C 3.08Å; S252-C300 WeakPolarHBondContact O-CA 3.5Å; S252-C300 PolarHBondContact O-N 3.43Å
253	Y	95.2	Very high	90.6	Very high	25 Å²	25	53.6 Å²	53.6	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-107.2	3.7	-176.6	-65.9	-96.8	0	0	0	113.2	Y241 L244 F249 Q297 G298 P299 W472	Y241-Y253 HydrophobicContact CD1-CD1 4.5Å; Y241-Y253 AromaticContact CD1-CE1 3.92Å; Y241-Y253 HydrophobicContact CD1-CE1 3.92Å; Y241-Y253 HydrophobicContact CD1-CE2 4.47Å; Y241-Y253 AromaticContact CD1-CZ 3.89Å; Y241-Y253 AromaticContact CE1-CD1 3.87Å; Y241-Y253 HydrophobicContact CE1-CD1 3.87Å; Y241-Y253 AromaticContact CE1-CE1 3.28Å; Y241-Y253 HydrophobicContact CE1-CE1 3.28Å; Y241-Y253 AromaticContact CE1-CZ 3.71Å; L244-Y253 HydrophobicContact CD1-CD2 4.34Å; L244-Y253 HydrophobicContact CD1-CE2 3.45Å; L244-Y253 VanDerWaalsContact CD1-CE2 3.45Å; F249-Y253 AromaticContact CD2-CD2 3.72Å; F249-Y253 HydrophobicContact CD2-CD2 3.72Å; F249-Y253 HydrophobicContact CD2-CE2 4.24Å; F249-Y253 AromaticContact CD2-CG 3.94Å; F249-Y253 HydrophobicContact CD2-CG 3.94Å; F249-Y253 HydrophobicContact CE2-CD1 4.23Å; F249-Y253 HydrophobicContact CE2-CD2 4.08Å; F249-Y253 AromaticContact CE2-CG 3.81Å; F249-Y253 HydrophobicContact CE2-CG 3.81Å; F249-Y253 HydrophobicContact CG-CD2 4.33Å; F249-Y253 HydrophobicContact CZ-CG 4.44Å; F249-Y253 VanDerWaalsContact O-CB 3.31Å; F249-Y253 WeakPolarHBondContact O-CB 3.36Å; F249-Y253 WeakPolarHBondContact O-CD2 3.37Å; F249-Y253 PolarHBondContact O-N 3.08Å; Y253-Q297 PolarHBondContact O-NE2 3.16Å; Y253-G298 WeakPolarHBondContact CD1-O 3.41Å; Y253-G298 VanDerWaalsContact CE1-O 3.28Å; Y253-G298 WeakPolarHBondContact CE1-O 3.49Å; Y253-P299 HydrophobicContact CE2-CB 4.28Å; Y253-W472 PolarHBondContact O-NE1 3.21Å
254	T	94.5	Very high	90	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.098	30%	0.298	C	S	.	.			trans	-122	163.2	173.5	83.1	0	0	0	0	109.6	S250 G301 V427 E449	S250-T254 WeakPolarHBondContact O-CB 3.36Å; S250-T254 WeakPolarHBondContact O-CG2 3.38Å; S250-T254 PolarHBondContact O-OG1 3.37Å; T254-G301 WeakPolarHBondContact O-CA 3.45Å; T254-V427 HydrophobicContact CG2-CB 4.13Å; T254-V427 HydrophobicContact CG2-CG1 4.32Å; T254-V427 HydrophobicContact CG2-CG2 3.81Å; T254-E449 WeakPolarHBondContact CB-O 3.18Å; T254-E449 HydrophobicContact CG2-CG 4.08Å
255	G	95	Very high	89.1	Confident	11 Å²	11	56 Å²	56	11%	0.113	30%	0.3	C	S	.	.			trans	175.8	23.5	-174.2	0	0	0	0	0	113.8	K257 G301 G349 G350 E449	G255-K257 PolarHBondContact O-N 2.7Å; G255-G301 WeakPolarHBondContact CA-O 3.19Å; G255-G349 CarbonylContact O-C 3.21Å; G255-G349 WeakPolarHBondContact O-CA 3.33Å; G255-G350 PolarHBondContact O-N 2.78Å; G255-E449 PolarHBondContact N-O 3.33Å
256	L	97.4	Very high	88.5	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.094	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-75.2	123.6	173.4	175.2	68.3	0	0	0	109.3	L258 P352 T424 P448 E449 A451	L256-L258 HydrophobicContact CD2-CD2 3.68Å; L256-L258 HydrophobicContact CD2-CG 4.13Å; L256-L258 HydrophobicContact CG-CD2 4.32Å; L256-L258 HydrophobicContact CG-CG 4.45Å; L256-P352 HydrophobicContact CD1-CG 4.21Å; L256-T424 HydrophobicContact CD1-CG2 4.03Å; L256-T424 VanDerWaalsContact CD2-CB 3.41Å; L256-T424 HydrophobicContact CD2-CG2 3.33Å; L256-T424 HydrophobicContact CG-CG2 4.31Å; L256-P448 HydrophobicContact CD2-CB 4.4Å; L256-E449 WeakPolarHBondContact CB-O 3.38Å; L256-E449 PolarHBondContact N-O 2.85Å; L256-A451 HydrophobicContact CD1-CB 4.25Å
257	K	96.7	Very high	88.1	Confident	59 Å²	59	58.6 Å²	58.6	26%	0.257	32%	0.315	S	S	.	.			trans	-91.5	111.3	161	-61.4	-170.7	-166.6	-67.1	0	107.6	G255 Y345 E348 G350 R351	G255-K257 PolarHBondContact O-N 2.7Å; K257-Y345 HydrophobicContact CD-CD2 3.46Å; K257-Y345 VanDerWaalsContact CD-CD2 3.46Å; K257-Y345 HydrophobicContact CD-CE2 3.49Å; K257-Y345 VanDerWaalsContact CD-CE2 3.49Å; K257-Y345 HydrophobicContact CD-CG 4.31Å; K257-Y345 VanDerWaalsContact CE-CG 3.43Å; K257-E348 VanDerWaalsContact CE-O 3.31Å; K257-E348 WeakPolarHBondContact CE-O 3.2Å; K257-E348 PolarHBondContact NZ-O 2.88Å; K257-G350 PolarHBondContact N-O 3.06Å; K257-R351 HydrophobicContact CB-CG 3.96Å; K257-R351 VanDerWaalsContact O-CG 3.32Å; K257-R351 WeakPolarHBondContact O-CG 3.28Å
258	L	91.5	Very high	87.8	Confident	76 Å²	76	53.6 Å²	53.6	40%	0.398	30%	0.3	S	S	.	.			trans	-63.1	144.8	-179.1	-80.2	172.1	0	0	0	111.8	L256 T424 V447 P448	L256-L258 HydrophobicContact CD2-CD2 3.68Å; L256-L258 HydrophobicContact CD2-CG 4.13Å; L256-L258 HydrophobicContact CG-CD2 4.32Å; L256-L258 HydrophobicContact CG-CG 4.45Å; L258-T424 HydrophobicContact CD2-CG2 4.4Å; L258-V447 HydrophobicContact CD1-CG1 4.02Å; L258-P448 VanDerWaalsContact CD1-O 3.25Å; L258-P448 WeakPolarHBondContact CD1-O 3.23Å; L258-P448 HydrophobicContact CD2-CB 4.24Å
259	S	90.5	Very high	87.4	Confident	33 Å²	33	56.2 Å²	56.2	23%	0.231	32%	0.316	C	S	.	.			trans	-123.6	156.7	173.3	-57	0	0	0	0	109.1	R351 Y496	S259-R351 VanDerWaalsContact OG-CD 3.22Å; S259-R351 WeakPolarHBondContact OG-CD 3.27Å; S259-R351 WeakPolarHBondContact OG-CG 3.48Å; S259-Y496 WeakPolarHBondContact CB-OH 3.36Å; S259-Y496 WeakPolarHBondContact O-CD2 3.16Å; S259-Y496 WeakPolarHBondContact O-CE2 3.32Å
260	K	92.5	Very high	86.9	Confident	194 Å²	194	63.5 Å²	63.5	84%	0.843	35%	0.35	S	S	*	.			trans	-74.2	133.8	167.4	-68.2	-176.2	179.9	179.9	0	108.2	E262	K260-E262 PolarHBondContact O-N 3.19Å
261	P	91.6	Very high	86.4	Confident	45 Å²	45	66.9 Å²	66.9	29%	0.292	36%	0.362	S	S	.	.			trans	-55.5	135.3	170	-23	32	0	0	0	110.5	N402 Y496	P261-N402 HydrophobicContact CB-CB 4.34Å; P261-N402 HydrophobicContact CG-CB 4.05Å; P261-Y496 HydrophobicContact CB-CD2 4.43Å; P261-Y496 HydrophobicContact CG-CD2 3.67Å; P261-Y496 HydrophobicContact CG-CE2 4.14Å
262	E	91.4	Very high	86.1	Confident	107 Å²	107	63.2 Å²	63.2	50%	0.5	34%	0.336	S	S	.	.	S	Bend	trans	-82	-19.9	176.7	-70	-168.2	-178.3	0	0	112.1	K260 Y353 K357 S400	K260-E262 PolarHBondContact O-N 3.19Å; E262-Y353 HydrophobicContact CB-CE1 4.49Å; E262-Y353 VanDerWaalsContact CD-CE1 3.42Å; E262-Y353 HydrophobicContact CG-CE1 3.84Å; E262-Y353 WeakPolarHBondContact OE1-CE1 3.49Å; E262-Y353 PolarHBondContact OE2-OH 3.07Å; E262-K357 IonicContact OE1-NZ 3.83Å; E262-K357 PolarHBondContact OE1-NZ 3.01Å; E262-K357 IonicContact OE2-NZ 2.78Å; E262-K357 PolarHBondContact OE2-NZ 2.88Å; E262-S400 PolarHBondContact N-OG 3Å
263	N	86.4	Confident	85.6	Confident	53 Å²	53	64.8 Å²	64.8	28%	0.283	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.8	-177.1	-48.2	-86.8	0	0	0	111.2	S400 F401 N402	N263-S400 VanDerWaalsContact CB-O 3.31Å; N263-S400 WeakPolarHBondContact CB-O 3.28Å; N263-S400 PolarHBondContact N-O 3.15Å; N263-S400 PolarHBondContact ND2-O 2.9Å; N263-S400 VanDerWaalsContact ND2-O 3.08Å; N263-F401 HydrophobicContact CB-CD1 3.74Å; N263-F401 HydrophobicContact CB-CE1 3.77Å; N263-F401 WeakPolarHBondContact O-CA 3.28Å; N263-N402 PolarHBondContact O-N 2.88Å
264	A	80	Confident	84.8	Confident	50 Å²	50	66.2 Å²	66.2	41%	0.413	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	150.8	162.2	0	0	0	0	0	108	N266	A264-N266 PolarHBondContact O-N 3.27Å
265	V	74.4	Confident	83.7	Confident	24 Å²	24	69.1 Å²	69.1	15%	0.145	36%	0.364	C	S	.	.			trans	-76.1	97.6	172.9	177.1	0	0	0	0	107.9	V267 F401 E410	V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 HydrophobicContact CG1-CB 4.29Å; V265-V267 HydrophobicContact CG1-CG2 3.58Å; V265-V267 PolarHBondContact O-N 3.23Å; V265-V267 VanDerWaalsContact O-N 3.07Å; V265-F401 HydrophobicContact CG2-CB 4.08Å; V265-F401 HydrophobicContact CG2-CD1 3.58Å; V265-F401 HydrophobicContact CG2-CE1 4.25Å; V265-F401 HydrophobicContact CG2-CG 3.99Å; V265-E410 HydrophobicContact CB-CB 3.98Å; V265-E410 HydrophobicContact CB-CG 3.84Å; V265-E410 HydrophobicContact CG1-CB 3.95Å; V265-E410 HydrophobicContact CG1-CG 3.73Å; V265-E410 HydrophobicContact CG2-CB 3.99Å; V265-E410 HydrophobicContact CG2-CG 4.4Å
266	N	72.9	Confident	82.9	Confident	131 Å²	131	71.9 Å²	71.9	70%	0.701	37%	0.373	S	S	*	.			trans	-85.2	72.2	-176.2	-72.6	-19.2	0	0	0	111.3	A264	A264-N266 PolarHBondContact O-N 3.27Å
267	V	72.1	Confident	82.1	Confident	21 Å²	21	80.9 Å²	80.9	13%	0.127	41%	0.406	C	S	.	.			trans	-128.7	134.8	-178.3	-175.4	0	0	0	0	108.2	V265 Q271 L272 L515	V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 HydrophobicContact CG1-CB 4.29Å; V265-V267 HydrophobicContact CG1-CG2 3.58Å; V265-V267 PolarHBondContact O-N 3.23Å; V265-V267 VanDerWaalsContact O-N 3.07Å; V267-Q271 HydrophobicContact CG1-CB 3.66Å; V267-L272 HydrophobicContact CB-CD1 4.24Å; V267-L272 HydrophobicContact CB-CD2 3.94Å; V267-L272 HydrophobicContact CB-CG 3.83Å; V267-L272 HydrophobicContact CG1-CD2 3.83Å; V267-L272 HydrophobicContact CG1-CG 3.62Å; V267-L272 HydrophobicContact CG2-CD2 4.44Å; V267-L515 HydrophobicContact CB-CD1 3.93Å; V267-L515 HydrophobicContact CG1-CD1 3.28Å; V267-L515 HydrophobicContact CG2-CD1 3.37Å; V267-L515 HydrophobicContact CG2-CG 4.28Å
268	S	78.4	Confident	81.3	Confident	57 Å²	57	83.8 Å²	83.8	40%	0.399	42%	0.42	S	S	.	.			trans	-60.7	144.6	174.8	63.7	0	0	0	0	111.5	E270 Q271 L272	S268-E270 PolarHBondContact O-N 2.96Å; S268-E270 VanDerWaalsContact O-N 3.13Å; S268-Q271 PolarHBondContact O-N 2.68Å; S268-Q271 WeakPolarHBondContact OG-CB 3.41Å; S268-Q271 WeakPolarHBondContact OG-CG 3.33Å; S268-Q271 PolarHBondContact OG-N 3.38Å; S268-Q271 PolarHBondContact OG-OE1 2.8Å; S268-L272 PolarHBondContact O-N 3.26Å
269	D	79.1	Confident	80.9	Confident	108 Å²	108	81.6 Å²	81.6	58%	0.578	41%	0.41	S	S	*	.	H	α-helix	trans	-54	-34.9	177.2	-77.4	-21.6	0	0	0	112.4	L272 L273 S406	D269-L272 PolarHBondContact O-N 3.05Å; D269-L273 VanDerWaalsContact O-CB 3.23Å; D269-L273 WeakPolarHBondContact O-CB 3.37Å; D269-L273 WeakPolarHBondContact O-CD1 3.49Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 2.91Å; D269-S406 PolarHBondContact OD1-OG 3.44Å
270	E	81.4	Confident	80.8	Confident	157 Å²	157	86.5 Å²	86.5	73%	0.734	42%	0.423	S	S	*	.	H	α-helix	trans	-68	-44.2	178	-172.2	172.7	-168.5	0	0	112.4	S268 L273 S274	S268-E270 PolarHBondContact O-N 2.96Å; S268-E270 VanDerWaalsContact O-N 3.13Å; E270-L273 PolarHBondContact O-N 2.93Å; E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.48Å; E270-S274 PolarHBondContact O-OG 3.32Å; E270-S274 VanDerWaalsContact O-OG 3.05Å
271	Q	76.7	Confident	80.7	Confident	102 Å²	102	83.6 Å²	83.6	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-39.5	173.7	-74.5	168.4	-28.2	0	0	111.6	V267 S268 S274 R275	V267-Q271 HydrophobicContact CG1-CB 3.66Å; S268-Q271 PolarHBondContact O-N 2.68Å; S268-Q271 WeakPolarHBondContact OG-CB 3.41Å; S268-Q271 WeakPolarHBondContact OG-CG 3.33Å; S268-Q271 PolarHBondContact OG-N 3.38Å; S268-Q271 PolarHBondContact OG-OE1 2.8Å; Q271-S274 WeakPolarHBondContact CA-OG 3.37Å; Q271-S274 PolarHBondContact O-OG 3.41Å; Q271-R275 WeakPolarHBondContact O-CB 3.26Å; Q271-R275 VanDerWaalsContact O-CG 3.28Å; Q271-R275 WeakPolarHBondContact O-CG 3.47Å; Q271-R275 PolarHBondContact O-N 2.84Å
272	L	79.2	Confident	80.8	Confident	5 Å²	5	83.6 Å²	83.6	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-63.7	-46.2	174.1	-73.8	174.2	0	0	0	111.5	V267 S268 D269 R275 F276 S406 E410 L515	V267-L272 HydrophobicContact CB-CD1 4.24Å; V267-L272 HydrophobicContact CB-CD2 3.94Å; V267-L272 HydrophobicContact CB-CG 3.83Å; V267-L272 HydrophobicContact CG1-CD2 3.83Å; V267-L272 HydrophobicContact CG1-CG 3.62Å; V267-L272 HydrophobicContact CG2-CD2 4.44Å; S268-L272 PolarHBondContact O-N 3.26Å; D269-L272 PolarHBondContact O-N 3.05Å; L272-R275 PolarHBondContact O-N 2.62Å; L272-F276 VanDerWaalsContact O-CB 3.28Å; L272-F276 WeakPolarHBondContact O-CB 3.14Å; L272-F276 PolarHBondContact O-N 3.22Å; L272-S406 WeakPolarHBondContact CD1-OG 3.33Å; L272-E410 HydrophobicContact CD1-CG 3.82Å; L272-E410 HydrophobicContact CD2-CG 4.33Å; L272-L515 HydrophobicContact CD2-CD2 4.47Å
273	L	80.7	Confident	81	Confident	69 Å²	69	79.1 Å²	79.1	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-48.3	179.8	-81.8	168.1	0	0	0	112.5	D269 E270 R275 F276 R277	D269-L273 VanDerWaalsContact O-CB 3.23Å; D269-L273 WeakPolarHBondContact O-CB 3.37Å; D269-L273 WeakPolarHBondContact O-CD1 3.49Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 2.91Å; E270-L273 PolarHBondContact O-N 2.93Å; L273-R275 PolarHBondContact O-N 2.98Å; L273-F276 PolarHBondContact O-N 3.1Å; L273-R277 WeakPolarHBondContact O-CG 3.25Å; L273-R277 PolarHBondContact O-N 3.08Å
274	S	78.6	Confident	81.4	Confident	54 Å²	54	77.5 Å²	77.5	38%	0.378	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-36.6	179.5	60.2	0	0	0	0	112	E270 Q271	E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.48Å; E270-S274 PolarHBondContact O-OG 3.32Å; E270-S274 VanDerWaalsContact O-OG 3.05Å; Q271-S274 WeakPolarHBondContact CA-OG 3.37Å; Q271-S274 PolarHBondContact O-OG 3.41Å
275	R	72.4	Confident	82.2	Confident	77 Å²	77	75.1 Å²	75.1	29%	0.291	37%	0.368	S	S	.	.	H	α-helix	trans	-80.7	-37.4	177.7	-66.5	-178.2	-170.9	-80.7	4.2	113.3	Q271 L272 L273 R277 Q278 V279 L515	Q271-R275 WeakPolarHBondContact O-CB 3.26Å; Q271-R275 VanDerWaalsContact O-CG 3.28Å; Q271-R275 WeakPolarHBondContact O-CG 3.47Å; Q271-R275 PolarHBondContact O-N 2.84Å; L272-R275 PolarHBondContact O-N 2.62Å; L273-R275 PolarHBondContact O-N 2.98Å; R275-R277 PolarHBondContact O-N 3.14Å; R275-Q278 WeakPolarHBondContact O-CA 3.03Å; R275-Q278 WeakPolarHBondContact O-CB 3.4Å; R275-Q278 PolarHBondContact O-N 2.89Å; R275-V279 PolarHBondContact O-N 3.01Å; R275-L515 WeakPolarHBondContact CD-O 3.05Å; R275-L515 PolarHBondContact NE-O 3.18Å; R275-L515 PolarHBondContact NH1-O 3.27Å
276	F	78.3	Confident	83.2	Confident	69 Å²	69	78 Å²	78	30%	0.303	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-32.7	172.4	-170.9	-93.1	0	0	0	111.5	L272 L273 Q278 V279 K409 I412 F459	L272-F276 VanDerWaalsContact O-CB 3.28Å; L272-F276 WeakPolarHBondContact O-CB 3.14Å; L272-F276 PolarHBondContact O-N 3.22Å; L273-F276 PolarHBondContact O-N 3.1Å; F276-Q278 PolarHBondContact O-N 2.8Å; F276-V279 HydrophobicContact CD2-CG2 4.18Å; F276-V279 HydrophobicContact CE2-CG2 4.43Å; F276-V279 HydrophobicContact CG-CG2 4.48Å; F276-V279 VanDerWaalsContact O-CG2 3.22Å; F276-V279 WeakPolarHBondContact O-CG2 3.48Å; F276-V279 PolarHBondContact O-N 3.16Å; F276-K409 HydrophobicContact CD2-CB 4.29Å; F276-K409 HydrophobicContact CD2-CD 4.5Å; F276-K409 HydrophobicContact CD2-CG 3.86Å; F276-K409 HydrophobicContact CE2-CG 4.16Å; F276-K409 HydrophobicContact CG-CD 4.42Å; F276-K409 HydrophobicContact CG-CG 4.27Å; F276-I412 HydrophobicContact CD2-CG2 4.17Å; F276-I412 HydrophobicContact CE2-CB 4.41Å; F276-I412 HydrophobicContact CE2-CG1 4.31Å; F276-I412 HydrophobicContact CE2-CG2 4.14Å; F276-F459 AromaticContact CE2-CE2 3.71Å; F276-F459 HydrophobicContact CE2-CE2 3.71Å; F276-F459 HydrophobicContact CE2-CZ 4.35Å; F276-F459 AromaticContact CZ-CD2 3.96Å; F276-F459 HydrophobicContact CZ-CD2 3.96Å; F276-F459 AromaticContact CZ-CE2 3.58Å; F276-F459 HydrophobicContact CZ-CE2 3.58Å; F276-F459 HydrophobicContact CZ-CZ 4.36Å
277	R	80.3	Confident	84.1	Confident	208 Å²	208	75 Å²	75	79%	0.785	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22	171.2	-69.8	175.2	-173.8	175	3.5	114	L273 R275	L273-R277 WeakPolarHBondContact O-CG 3.25Å; L273-R277 PolarHBondContact O-N 3.08Å; R275-R277 PolarHBondContact O-N 3.14Å
278	Q	78.9	Confident	85.2	Confident	119 Å²	119	74 Å²	74	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.5	179.8	-59	-178.6	12.7	0	0	113.5	R275 F276	R275-Q278 WeakPolarHBondContact O-CA 3.03Å; R275-Q278 WeakPolarHBondContact O-CB 3.4Å; R275-Q278 PolarHBondContact O-N 2.89Å; F276-Q278 PolarHBondContact O-N 2.8Å
279	V	83.9	Confident	85.9	Confident	30 Å²	30	72.4 Å²	72.4	18%	0.182	36%	0.355	C	S	.	.	S	Bend	trans	-75.9	150.6	176.4	-53.6	0	0	0	0	110.1	R275 F276 I412 V416	R275-V279 PolarHBondContact O-N 3.01Å; F276-V279 HydrophobicContact CD2-CG2 4.18Å; F276-V279 HydrophobicContact CE2-CG2 4.43Å; F276-V279 HydrophobicContact CG-CG2 4.48Å; F276-V279 VanDerWaalsContact O-CG2 3.22Å; F276-V279 WeakPolarHBondContact O-CG2 3.48Å; F276-V279 PolarHBondContact O-N 3.16Å; V279-I412 HydrophobicContact CG1-CG2 4.43Å; V279-I412 HydrophobicContact CG2-CG2 4.06Å; V279-V416 HydrophobicContact CB-CG1 4.46Å; V279-V416 HydrophobicContact CG1-CB 4.39Å; V279-V416 HydrophobicContact CG1-CG1 3.93Å; V279-V416 HydrophobicContact CG1-CG2 4.41Å
280	R	87	Confident	86.7	Confident	137 Å²	137	67.3 Å²	67.3	52%	0.517	33%	0.327	S	S	.	.			trans	-65.7	149.5	173.8	-64.2	-179.6	178.8	-149.7	-3.8	109.2	A282 Y457 T524	R280-A282 WeakPolarHBondContact CB-O 3.38Å; R280-A282 PolarHBondContact O-N 3.27Å; R280-Y457 WeakPolarHBondContact O-CE2 3.22Å; R280-Y457 PolarHBondContact O-OH 2.81Å; R280-T524 VanDerWaalsContact NH2-CB 3.25Å; R280-T524 PolarHBondContact NH2-OG1 2.56Å
281	Q	91.2	Very high	87.5	Confident	132 Å²	132	60.9 Å²	60.9	62%	0.617	30%	0.298	S	S	*	.	S	Bend	trans	-69.6	-21.6	176.6	-62.7	-175.8	33.8	0	0	112.9	F459 T460	Q281-F459 WeakPolarHBondContact O-CB 3.48Å; Q281-F459 PolarHBondContact O-N 2.64Å; Q281-T460 HydrophobicContact CB-CG2 3.57Å
282	A	93.8	Very high	88.5	Confident	45 Å²	45	56.1 Å²	56.1	37%	0.372	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.2	172	0	0	0	0	0	110.4	R280 Y457 D458	R280-A282 WeakPolarHBondContact CB-O 3.38Å; R280-A282 PolarHBondContact O-N 3.27Å; A282-Y457 WeakPolarHBondContact CA-O 3.34Å; A282-D458 HydrophobicContact CB-CB 4.15Å
283	F	94.6	Very high	89.4	Confident	14 Å²	14	59.6 Å²	59.6	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	147.4	-179.8	174.7	-104.8	0	0	0	111.4	W285 V416 G456 Y457 A520 T524	F283-W285 AromaticContact CE1-CD1 3.92Å; F283-W285 AromaticContact CE1-CD2 3.7Å; F283-W285 HydrophobicContact CE1-CD2 3.7Å; F283-W285 AromaticContact CE1-CE2 3.51Å; F283-W285 HydrophobicContact CE1-CE3 4.26Å; F283-W285 AromaticContact CE1-CG 3.97Å; F283-W285 HydrophobicContact CE1-CG 3.97Å; F283-W285 HydrophobicContact CE1-CH2 4.46Å; F283-W285 AromaticContact CE1-CZ2 3.93Å; F283-W285 HydrophobicContact CE1-CZ2 3.93Å; F283-W285 AromaticContact CE1-NE1 3.66Å; F283-W285 AromaticContact CZ-CD2 3.64Å; F283-W285 HydrophobicContact CZ-CD2 3.64Å; F283-W285 AromaticContact CZ-CE2 3.76Å; F283-W285 AromaticContact CZ-CE3 3.71Å; F283-W285 HydrophobicContact CZ-CE3 3.71Å; F283-W285 HydrophobicContact CZ-CG 4.21Å; F283-W285 HydrophobicContact CZ-CH2 4.04Å; F283-W285 AromaticContact CZ-CZ2 3.97Å; F283-W285 HydrophobicContact CZ-CZ2 3.97Å; F283-W285 AromaticContact CZ-CZ3 3.91Å; F283-W285 HydrophobicContact CZ-CZ3 3.91Å; F283-V416 HydrophobicContact CD1-CG2 4.39Å; F283-G456 CarbonylContact O-C 3.58Å; F283-G456 WeakPolarHBondContact O-CA 3.36Å; F283-Y457 HydrophobicContact CB-CD1 4.48Å; F283-Y457 HydrophobicContact CB-CE1 3.82Å; F283-Y457 HydrophobicContact CD1-CE1 4.3Å; F283-Y457 PolarHBondContact N-O 2.97Å; F283-Y457 PolarHBondContact O-N 2.81Å; F283-A520 HydrophobicContact CD1-CB 4.23Å; F283-A520 HydrophobicContact CD2-CB 4.02Å; F283-A520 HydrophobicContact CE1-CB 3.73Å; F283-A520 HydrophobicContact CE2-CB 3.51Å; F283-A520 HydrophobicContact CG-CB 4.36Å; F283-A520 HydrophobicContact CZ-CB 3.35Å; F283-T524 HydrophobicContact CD2-CG2 4.09Å; F283-T524 HydrophobicContact CE2-CG2 3.97Å
284	S	95.8	Very high	90.2	Very high	18 Å²	18	57.8 Å²	57.8	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	127.1	174.7	-179	0	0	0	0	112.2	K286 S287 V455	S284-K286 PolarHBondContact O-N 3.18Å; S284-K286 WeakPolarHBondContact OG-CB 3.37Å; S284-K286 PolarHBondContact OG-N 3.11Å; S284-S287 WeakPolarHBondContact O-CB 3.28Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 VanDerWaalsContact O-N 3.07Å; S284-S287 PolarHBondContact O-OG 2.92Å; S284-V455 CarbonylContact C-O 3.52Å; S284-V455 WeakPolarHBondContact CA-O 3.23Å
285	W	96.7	Very high	91.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23.8	169.6	-68.6	117.3	0	0	0	112.8	F283 S287 C288 V290 L291 V318 W323 L415 G419 P420 V455 N519 A520 C523	F283-W285 AromaticContact CE1-CD1 3.92Å; F283-W285 AromaticContact CE1-CD2 3.7Å; F283-W285 HydrophobicContact CE1-CD2 3.7Å; F283-W285 AromaticContact CE1-CE2 3.51Å; F283-W285 HydrophobicContact CE1-CE3 4.26Å; F283-W285 AromaticContact CE1-CG 3.97Å; F283-W285 HydrophobicContact CE1-CG 3.97Å; F283-W285 HydrophobicContact CE1-CH2 4.46Å; F283-W285 AromaticContact CE1-CZ2 3.93Å; F283-W285 HydrophobicContact CE1-CZ2 3.93Å; F283-W285 AromaticContact CE1-NE1 3.66Å; F283-W285 AromaticContact CZ-CD2 3.64Å; F283-W285 HydrophobicContact CZ-CD2 3.64Å; F283-W285 AromaticContact CZ-CE2 3.76Å; F283-W285 AromaticContact CZ-CE3 3.71Å; F283-W285 HydrophobicContact CZ-CE3 3.71Å; F283-W285 HydrophobicContact CZ-CG 4.21Å; F283-W285 HydrophobicContact CZ-CH2 4.04Å; F283-W285 AromaticContact CZ-CZ2 3.97Å; F283-W285 HydrophobicContact CZ-CZ2 3.97Å; F283-W285 AromaticContact CZ-CZ3 3.91Å; F283-W285 HydrophobicContact CZ-CZ3 3.91Å; W285-S287 PolarHBondContact O-N 2.65Å; W285-C288 HydrophobicContact CE3-CB 4.07Å; W285-C288 WeakPolarHBondContact O-CB 3.48Å; W285-C288 PolarHBondContact O-N 3.35Å; W285-V290 HydrophobicContact CB-CG2 4.02Å; W285-V290 HydrophobicContact CD2-CG2 4.38Å; W285-V290 HydrophobicContact CE3-CG2 3.82Å; W285-L291 HydrophobicContact CB-CD2 4.18Å; W285-L291 HydrophobicContact CB-CG 4.44Å; W285-V318 HydrophobicContact CE3-CG2 4.13Å; W285-V318 HydrophobicContact CH2-CG1 4.29Å; W285-V318 HydrophobicContact CH2-CG2 4.39Å; W285-V318 HydrophobicContact CZ3-CG2 4.01Å; W285-W323 HydrophobicContact CE3-CZ3 4.34Å; W285-W323 AromaticContact CZ3-CH2 3.92Å; W285-W323 HydrophobicContact CZ3-CH2 3.92Å; W285-W323 AromaticContact CZ3-CZ3 3.73Å; W285-W323 HydrophobicContact CZ3-CZ3 3.73Å; W285-L415 VanDerWaalsContact CZ2-O 3.31Å; W285-L415 WeakPolarHBondContact CZ2-O 3.28Å; W285-L415 PolarHBondContact NE1-O 2.97Å; W285-G419 VanDerWaalsContact NE1-C 3.3Å; W285-P420 HydrophobicContact CB-CG 4.03Å; W285-P420 HydrophobicContact CD2-CG 4.5Å; W285-P420 HydrophobicContact CG-CG 3.83Å; W285-V455 HydrophobicContact CB-CB 4.43Å; W285-V455 WeakPolarHBondContact CB-O 3.2Å; W285-V455 PolarHBondContact N-O 2.72Å; W285-N519 HydrophobicContact CH2-CB 3.66Å; W285-N519 HydrophobicContact CZ2-CB 4.35Å; W285-A520 HydrophobicContact CH2-CB 4.29Å; W285-A520 HydrophobicContact CZ2-CB 4.41Å; W285-C523 HydrophobicContact CZ3-CB 4.28Å
286	K	94.8	Very high	92.3	Very high	86 Å²	86	55 Å²	55	37%	0.374	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.9	-40.8	171.2	-172.9	-180	177.6	178.4	0	110.5	S284 C288 G289 L291 E479 Y481	S284-K286 PolarHBondContact O-N 3.18Å; S284-K286 WeakPolarHBondContact OG-CB 3.37Å; S284-K286 PolarHBondContact OG-N 3.11Å; K286-C288 PolarHBondContact O-N 3.16Å; K286-G289 PolarHBondContact O-N 3.08Å; K286-L291 HydrophobicContact CB-CD1 3.89Å; K286-E479 IonicContact NZ-OE2 3.37Å; K286-E479 PolarHBondContact NZ-OE2 3.16Å; K286-Y481 HydrophobicContact CD-CE1 4.26Å; K286-Y481 HydrophobicContact CD-CE2 4.03Å
287	S	93	Very high	93.2	Very high	68 Å²	68	51.8 Å²	51.8	48%	0.476	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.6	-13.8	179.1	75.4	0	0	0	0	114.4	S284 W285 N527	S284-S287 WeakPolarHBondContact O-CB 3.28Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 VanDerWaalsContact O-N 3.07Å; S284-S287 PolarHBondContact O-OG 2.92Å; W285-S287 PolarHBondContact O-N 2.65Å; S287-N527 PolarHBondContact O-ND2 3.44Å
288	C	94.1	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-87.1	-8.5	175.4	-61.5	0	0	0	0	112.6	W285 K286 V290 W323 N324 C523	W285-C288 HydrophobicContact CE3-CB 4.07Å; W285-C288 WeakPolarHBondContact O-CB 3.48Å; W285-C288 PolarHBondContact O-N 3.35Å; K286-C288 PolarHBondContact O-N 3.16Å; C288-V290 VanDerWaalsContact C-N 3.29Å; C288-V290 HydrophobicContact CB-CG1 4.21Å; C288-V290 HydrophobicContact CB-CG2 4.02Å; C288-V290 PolarHBondContact O-N 3.19Å; C288-W323 HydrophobicContact CB-CE3 4.02Å; C288-W323 HydrophobicContact CB-CZ3 4.27Å; C288-N324 PolarHBondContact O-N 2.83Å; C288-N324 PolarHBondContact O-OD1 2.69Å; C288-C523 WeakPolarHBondContact CA-SG 3.35Å; C288-C523 HydrophobicContact CB-CB 3.94Å; C288-C523 WeakPolarHBondContact CB-SG 3.47Å; C288-C523 WeakPolarHBondContact SG-CB 3.46Å; C288-C523 CovalentContact SG-SG 2.01Å; C288-C523 PolarHBondContact SG-SG 2.91Å
289	G	94.4	Very high	94.7	Very high	23 Å²	23	40 Å²	40	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	36.9	-175.7	0	0	0	0	0	113.2	K286	K286-G289 PolarHBondContact O-N 3.08Å
290	V	95.9	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.			trans	-111	11.6	178.6	-61.5	0	0	0	0	113	W285 C288 S314 A317 V318 W323	W285-V290 HydrophobicContact CB-CG2 4.02Å; W285-V290 HydrophobicContact CD2-CG2 4.38Å; W285-V290 HydrophobicContact CE3-CG2 3.82Å; C288-V290 VanDerWaalsContact C-N 3.29Å; C288-V290 HydrophobicContact CB-CG1 4.21Å; C288-V290 HydrophobicContact CB-CG2 4.02Å; C288-V290 PolarHBondContact O-N 3.19Å; V290-S314 WeakPolarHBondContact O-CA 3.23Å; V290-S314 VanDerWaalsContact O-CB 3.23Å; V290-S314 WeakPolarHBondContact O-CB 3.21Å; V290-S314 PolarHBondContact O-OG 3.48Å; V290-A317 HydrophobicContact CB-CB 3.89Å; V290-A317 HydrophobicContact CG1-CB 4.02Å; V290-V318 HydrophobicContact CB-CG2 4.17Å; V290-V318 HydrophobicContact CG1-CG2 4.4Å; V290-V318 HydrophobicContact CG2-CG2 3.86Å; V290-W323 HydrophobicContact CG1-CE3 3.46Å; V290-W323 VanDerWaalsContact CG1-CE3 3.46Å; V290-W323 HydrophobicContact CG1-CZ3 3.59Å
291	L	97.7	Very high	95.8	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.115	20%	0.196	C	C	.	.	S	Bend	trans	-105.6	135.6	176.5	-55.5	179.6	0	0	0	109.2	W285 K286 S314 P420 L453 V455 Y481	W285-L291 HydrophobicContact CB-CD2 4.18Å; W285-L291 HydrophobicContact CB-CG 4.44Å; K286-L291 HydrophobicContact CB-CD1 3.89Å; L291-S314 WeakPolarHBondContact CA-OG 3.47Å; L291-S314 WeakPolarHBondContact CD2-OG 3.43Å; L291-P420 HydrophobicContact CD2-CB 4.38Å; L291-P420 HydrophobicContact CD2-CG 3.68Å; L291-L453 HydrophobicContact CD2-CD2 4.17Å; L291-V455 HydrophobicContact CD1-CB 3.84Å; L291-V455 HydrophobicContact CD1-CG1 3.64Å; L291-V455 HydrophobicContact CD1-CG2 4.15Å; L291-V455 HydrophobicContact CD2-CB 4.45Å; L291-V455 HydrophobicContact CD2-CG1 3.8Å; L291-V455 HydrophobicContact CG-CG1 4.4Å; L291-Y481 HydrophobicContact CD1-CE1 4.34Å
292	P	97.3	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.013	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-63.1	164.1	165.3	27.6	-31.7	0	0	0	109.8	D310 A313 S314 V327 K469	P292-D310 HydrophobicContact CG-CB 4.18Å; P292-D310 WeakPolarHBondContact CG-OD1 3.26Å; P292-A313 HydrophobicContact CG-CB 4.4Å; P292-S314 VanDerWaalsContact CD-OG 3.27Å; P292-S314 WeakPolarHBondContact CD-OG 3.46Å; P292-V327 HydrophobicContact CB-CG1 4.24Å; P292-K469 WeakPolarHBondContact O-CE 3.27Å; P292-K469 PolarHBondContact O-NZ 2.75Å
293	A	97.4	Very high	96.3	Very high	78 Å²	78	23.9 Å²	23.9	65%	0.645	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-57.4	159.1	176.7	0	0	0	0	0	112.1	K469	A293-K469 PolarHBondContact O-NZ 2.88Å
294	V	98.4	Very high	96.5	Very high	31 Å²	31	23.2 Å²	23.2	19%	0.188	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-65.8	141.2	170.2	169.5	0	0	0	0	109.1	K469 D474 E479 Y481	V294-K469 HydrophobicContact CG2-CG 4.31Å; V294-D474 HydrophobicContact CG1-CB 4.39Å; V294-E479 WeakPolarHBondContact CG2-O 3.47Å; V294-Y481 HydrophobicContact CG2-CD2 4.29Å; V294-Y481 HydrophobicContact CG2-CE2 3.62Å
295	R	97.8	Very high	96.6	Very high	30 Å²	30	22.3 Å²	22.3	11%	0.113	14%	0.14	C	C	.	.			trans	-123.8	168	-179.4	-64.3	-175.9	-74	170	0.4	110.4	F306 S309 D310 I330 E369 S471 W472 G473	R295-F306 HydrophobicContact CB-CD1 3.88Å; R295-F306 HydrophobicContact CB-CE1 3.62Å; R295-F306 HydrophobicContact CG-CE1 4.38Å; R295-S309 PolarHBondContact NH2-OG 2.97Å; R295-D310 IonicContact CZ-OD1 3.37Å; R295-D310 IonicContact NE-OD1 3.44Å; R295-D310 PolarHBondContact NE-OD1 3.02Å; R295-D310 IonicContact NH2-OD1 2.9Å; R295-D310 PolarHBondContact NH2-OD1 3.05Å; R295-I330 PolarHBondContact NH1-O 3.11Å; R295-E369 IonicContact NH1-OE2 2.79Å; R295-E369 PolarHBondContact NH1-OE2 3.46Å; R295-S471 CarbonylContact O-C 3.46Å; R295-S471 VanDerWaalsContact O-CA 3.3Å; R295-S471 WeakPolarHBondContact O-CA 3.5Å; R295-W472 PolarHBondContact O-N 3.12Å; R295-G473 PolarHBondContact O-N 3.27Å
296	E	96.9	Very high	96.7	Very high	44 Å²	44	22.5 Å²	22.5	21%	0.206	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-118.8	114.7	178.4	175.3	61.9	-120.5	0	0	109.3	Q240 Y241 G298 Y374 W472 G473	Q240-E296 PolarHBondContact NE2-OE2 3.07Å; Y241-E296 PolarHBondContact OH-OE1 2.85Å; Y241-E296 PolarHBondContact OH-OE2 3.04Å; E296-G298 VanDerWaalsContact C-N 3.35Å; E296-G298 PolarHBondContact OE1-N 3.09Å; E296-Y374 WeakPolarHBondContact O-CE1 3.2Å; E296-W472 VanDerWaalsContact OE2-O 3.06Å; E296-G473 WeakPolarHBondContact OE2-CA 3.39Å; E296-G473 PolarHBondContact OE2-N 3.44Å
297	Q	97.3	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.125	C	C	.	.			trans	-77	-22.3	176.8	76.2	-175.5	77.9	0	0	112.2	Y253 C300 F306 Y374 H450 S471	Y253-Q297 PolarHBondContact O-NE2 3.16Å; Q297-C300 PolarHBondContact NE2-O 2.97Å; Q297-F306 HydrophobicContact CB-CD2 3.66Å; Q297-F306 HydrophobicContact CB-CE2 3.47Å; Q297-F306 VanDerWaalsContact CB-CE2 3.47Å; Q297-F306 HydrophobicContact CB-CG 4.47Å; Q297-F306 HydrophobicContact CB-CZ 4.14Å; Q297-Y374 VanDerWaalsContact O-CE1 3.25Å; Q297-Y374 WeakPolarHBondContact O-CE1 3.4Å; Q297-Y374 VanDerWaalsContact O-CZ 3.28Å; Q297-Y374 PolarHBondContact O-OH 2.93Å; Q297-H450 PolarHBondContact OE1-CE1 3.19Å; Q297-S471 WeakPolarHBondContact CG-O 3.11Å; Q297-S471 PolarHBondContact N-O 3.18Å; Q297-S471 PolarHBondContact OE1-OG 3.04Å
298	G	95	Very high	97.2	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.031	10%	0.102	C	C	.	.			trans	63.5	-161.6	-177.5	0	0	0	0	0	113.2	Y253 E296 C300	Y253-G298 WeakPolarHBondContact CD1-O 3.41Å; Y253-G298 VanDerWaalsContact CE1-O 3.28Å; Y253-G298 WeakPolarHBondContact CE1-O 3.49Å; E296-G298 VanDerWaalsContact C-N 3.35Å; E296-G298 PolarHBondContact OE1-N 3.09Å; G298-C300 PolarHBondContact O-N 3.09Å
299	P	94.9	Very high	97.4	Very high	78 Å²	78	15.4 Å²	15.4	51%	0.506	10%	0.102	S	C	.	.	S	Bend	trans	-79.6	51.2	-175.7	35.7	-37.3	0	0	0	112.7	S252 Y253	S252-P299 CarbonylContact O-C 3.41Å; Y253-P299 HydrophobicContact CE2-CB 4.28Å
300	C	97.2	Very high	97.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	9%	0.093	C	C	.	.	S	Bend	trans	-133.6	138.3	173.1	171.7	0	0	0	0	108.7	S252 Q297 G298 A302 C347 M376	S252-C300 CarbonylContact O-C 3.08Å; S252-C300 WeakPolarHBondContact O-CA 3.5Å; S252-C300 PolarHBondContact O-N 3.43Å; Q297-C300 PolarHBondContact NE2-O 2.97Å; G298-C300 PolarHBondContact O-N 3.09Å; C300-A302 HydrophobicContact CB-CB 4.47Å; C300-A302 PolarHBondContact O-N 3.45Å; C300-C347 HydrophobicContact CB-CB 3.98Å; C300-C347 WeakPolarHBondContact CB-SG 3.24Å; C300-C347 WeakPolarHBondContact SG-CA 3.37Å; C300-C347 WeakPolarHBondContact SG-CB 3.06Å; C300-C347 CovalentContact SG-SG 2.04Å; C300-C347 PolarHBondContact SG-SG 3.14Å; C300-M376 WeakPolarHBondContact CB-O 3.34Å
301	G	97	Very high	97.7	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	9%	0.093	C	C	.	.	S	Bend	trans	-70.9	38.2	178	0	0	0	0	0	114.5	T254 G255 C303 Y304 C347 G349	T254-G301 WeakPolarHBondContact O-CA 3.45Å; G255-G301 WeakPolarHBondContact CA-O 3.19Å; G301-C303 VanDerWaalsContact C-N 3.33Å; G301-C303 PolarHBondContact O-N 2.87Å; G301-Y304 VanDerWaalsContact O-CD1 3.32Å; G301-Y304 WeakPolarHBondContact O-CD1 3.41Å; G301-Y304 WeakPolarHBondContact O-CE1 3.34Å; G301-C347 VanDerWaalsContact CA-O 3.24Å; G301-C347 WeakPolarHBondContact CA-O 3.41Å; G301-C347 PolarHBondContact N-O 2.68Å; G301-G349 WeakPolarHBondContact O-CA 3.44Å
302	A	98.1	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.3	-172.9	0	0	0	0	0	114.7	C300 Y304 A305 F306 I336 Y374	C300-A302 HydrophobicContact CB-CB 4.47Å; C300-A302 PolarHBondContact O-N 3.45Å; A302-Y304 PolarHBondContact O-N 2.94Å; A302-A305 WeakPolarHBondContact O-CA 3.41Å; A302-A305 WeakPolarHBondContact O-CB 3.35Å; A302-A305 PolarHBondContact O-N 3.45Å; A302-F306 HydrophobicContact CB-CD2 3.87Å; A302-F306 HydrophobicContact CB-CE2 3.83Å; A302-F306 WeakPolarHBondContact O-CD2 3.45Å; A302-F306 PolarHBondContact O-N 3.35Å; A302-I336 HydrophobicContact CB-CD1 3.63Å; A302-I336 HydrophobicContact CB-CG1 4.28Å; A302-Y374 HydrophobicContact CB-CE2 4.49Å
303	C	98.3	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-51.1	-36	-177.4	65.1	0	0	0	0	113	G301 A305 A307 H450 A451	G301-C303 VanDerWaalsContact C-N 3.33Å; G301-C303 PolarHBondContact O-N 2.87Å; C303-A305 PolarHBondContact O-N 3.48Å; C303-A307 VanDerWaalsContact O-CB 3.25Å; C303-A307 WeakPolarHBondContact O-CB 3.19Å; C303-A307 PolarHBondContact O-N 3.1Å; C303-H450 WeakPolarHBondContact CB-CE1 3.36Å; C303-H450 WeakPolarHBondContact CB-ND1 3.06Å; C303-A451 HydrophobicContact CB-CB 4.43Å
304	Y	98.6	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-39.6	175.5	73.7	-81.4	0	0	0	112.5	G301 A302 T308 I335 A344 A346 V355	G301-Y304 VanDerWaalsContact O-CD1 3.32Å; G301-Y304 WeakPolarHBondContact O-CD1 3.41Å; G301-Y304 WeakPolarHBondContact O-CE1 3.34Å; A302-Y304 PolarHBondContact O-N 2.94Å; Y304-T308 WeakPolarHBondContact O-CB 3.37Å; Y304-T308 PolarHBondContact O-N 3.5Å; Y304-T308 PolarHBondContact O-OG1 3.14Å; Y304-I335 HydrophobicContact CD2-CG2 4.37Å; Y304-I335 HydrophobicContact CE2-CG2 3.79Å; Y304-A344 HydrophobicContact CE2-CB 3.6Å; Y304-A346 VanDerWaalsContact CE1-O 3.27Å; Y304-A346 WeakPolarHBondContact CE1-O 3.46Å; Y304-A346 WeakPolarHBondContact OH-CA 3.43Å; Y304-A346 PolarHBondContact OH-O 2.93Å; Y304-V355 HydrophobicContact CD2-CG2 4.22Å; Y304-V355 HydrophobicContact CE2-CG2 4.33Å
305	A	98.7	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72	-41.1	179.5	0	0	0	0	0	111.4	A302 C303 S309 A332 I335 I336	A302-A305 WeakPolarHBondContact O-CA 3.41Å; A302-A305 WeakPolarHBondContact O-CB 3.35Å; A302-A305 PolarHBondContact O-N 3.45Å; C303-A305 PolarHBondContact O-N 3.48Å; A305-S309 WeakPolarHBondContact O-CB 3.25Å; A305-S309 PolarHBondContact O-N 2.85Å; A305-S309 PolarHBondContact O-OG 3.44Å; A305-A332 HydrophobicContact CB-CB 4.25Å; A305-I335 HydrophobicContact CB-CB 3.88Å; A305-I335 HydrophobicContact CB-CD1 4.45Å; A305-I335 HydrophobicContact CB-CG2 3.61Å; A305-I336 HydrophobicContact CB-CD1 4.45Å; A305-I336 HydrophobicContact CB-CG1 3.93Å
306	F	98.7	Very high	97.6	Very high	3 Å²	3	9 Å²	9	1%	0.013	5%	0.051	C	C	.	.	H	α-helix	trans	-64.7	-51.3	174.4	-80	-86.6	0	0	0	111.8	R295 Q297 A302 T308 S309 D310 A332 Y374	R295-F306 HydrophobicContact CB-CD1 3.88Å; R295-F306 HydrophobicContact CB-CE1 3.62Å; R295-F306 HydrophobicContact CG-CE1 4.38Å; Q297-F306 HydrophobicContact CB-CD2 3.66Å; Q297-F306 HydrophobicContact CB-CE2 3.47Å; Q297-F306 VanDerWaalsContact CB-CE2 3.47Å; Q297-F306 HydrophobicContact CB-CG 4.47Å; Q297-F306 HydrophobicContact CB-CZ 4.14Å; A302-F306 HydrophobicContact CB-CD2 3.87Å; A302-F306 HydrophobicContact CB-CE2 3.83Å; A302-F306 WeakPolarHBondContact O-CD2 3.45Å; A302-F306 PolarHBondContact O-N 3.35Å; F306-T308 VanDerWaalsContact C-N 3.27Å; F306-T308 PolarHBondContact O-N 3.01Å; F306-S309 PolarHBondContact O-N 3.41Å; F306-S309 PolarHBondContact O-OG 2.8Å; F306-D310 VanDerWaalsContact O-CB 3.27Å; F306-D310 WeakPolarHBondContact O-CB 3.47Å; F306-D310 PolarHBondContact O-N 3.29Å; F306-A332 HydrophobicContact CD1-CB 4.19Å; F306-A332 HydrophobicContact CD2-CB 4.13Å; F306-A332 HydrophobicContact CE1-CB 4.09Å; F306-A332 HydrophobicContact CE2-CB 4.03Å; F306-A332 HydrophobicContact CG-CB 4.2Å; F306-A332 HydrophobicContact CZ-CB 4Å; F306-Y374 HydrophobicContact CE2-CD1 4.4Å; F306-Y374 HydrophobicContact CE2-CD2 4.22Å; F306-Y374 AromaticContact CE2-CE1 3.89Å; F306-Y374 HydrophobicContact CE2-CE1 3.89Å; F306-Y374 AromaticContact CE2-CE2 3.75Å; F306-Y374 HydrophobicContact CE2-CE2 3.75Å; F306-Y374 AromaticContact CE2-CZ 3.54Å; F306-Y374 AromaticContact CZ-CD1 3.7Å; F306-Y374 HydrophobicContact CZ-CD1 3.7Å; F306-Y374 AromaticContact CZ-CD2 3.95Å; F306-Y374 HydrophobicContact CZ-CD2 3.95Å; F306-Y374 AromaticContact CZ-CE1 3.57Å; F306-Y374 HydrophobicContact CZ-CE1 3.57Å; F306-Y374 AromaticContact CZ-CE2 3.9Å; F306-Y374 HydrophobicContact CZ-CE2 3.9Å; F306-Y374 AromaticContact CZ-CG 3.86Å; F306-Y374 HydrophobicContact CZ-CG 3.86Å; F306-Y374 AromaticContact CZ-CZ 3.69Å
307	A	98.7	Very high	97.5	Very high	5 Å²	5	7 Å²	7	4%	0.041	4%	0.042	C	C	.	.	H	α-helix	trans	-59.3	-39.8	177.9	0	0	0	0	0	111.8	C303 L311 I422 A451	C303-A307 VanDerWaalsContact O-CB 3.25Å; C303-A307 WeakPolarHBondContact O-CB 3.19Å; C303-A307 PolarHBondContact O-N 3.1Å; A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.43Å; A307-L311 PolarHBondContact O-N 3.48Å; A307-I422 HydrophobicContact CB-CD1 4.16Å; A307-I422 HydrophobicContact CB-CG1 4.09Å; A307-I422 HydrophobicContact CB-CG2 4.08Å; A307-I422 VanDerWaalsContact O-CD1 3.3Å; A307-I422 WeakPolarHBondContact O-CD1 3.23Å; A307-A451 HydrophobicContact CB-CB 3.95Å
308	T	98.6	Very high	97.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-68	-51.4	178.3	-59.8	0	0	0	0	112.4	Y304 F306 D310 L311 I312 I335 P352 V355 L356	Y304-T308 WeakPolarHBondContact O-CB 3.37Å; Y304-T308 PolarHBondContact O-N 3.5Å; Y304-T308 PolarHBondContact O-OG1 3.14Å; F306-T308 VanDerWaalsContact C-N 3.27Å; F306-T308 PolarHBondContact O-N 3.01Å; T308-D310 VanDerWaalsContact C-N 3.34Å; T308-D310 PolarHBondContact O-N 3.34Å; T308-L311 PolarHBondContact O-N 3.43Å; T308-I312 HydrophobicContact CG2-CD1 3.87Å; T308-I312 HydrophobicContact CG2-CG1 4.49Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.28Å; T308-I312 PolarHBondContact O-N 2.88Å; T308-I335 HydrophobicContact CG2-CD1 4.01Å; T308-P352 VanDerWaalsContact OG1-CA 3.31Å; T308-P352 WeakPolarHBondContact OG1-CA 3.4Å; T308-P352 WeakPolarHBondContact OG1-CB 3.31Å; T308-V355 HydrophobicContact CG2-CB 4.23Å; T308-V355 HydrophobicContact CG2-CG1 3.76Å; T308-L356 HydrophobicContact CG2-CD2 3.77Å; T308-L356 HydrophobicContact CG2-CG 3.79Å
309	S	98.4	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.7	-37.8	179.9	52.6	0	0	0	0	112.2	R295 A305 F306 I312 A313 I330	R295-S309 PolarHBondContact NH2-OG 2.97Å; A305-S309 WeakPolarHBondContact O-CB 3.25Å; A305-S309 PolarHBondContact O-N 2.85Å; A305-S309 PolarHBondContact O-OG 3.44Å; F306-S309 PolarHBondContact O-N 3.41Å; F306-S309 PolarHBondContact O-OG 2.8Å; S309-I312 PolarHBondContact O-N 2.8Å; S309-A313 WeakPolarHBondContact O-CB 3.34Å; S309-A313 PolarHBondContact O-N 2.93Å; S309-I330 WeakPolarHBondContact CB-O 3.19Å
310	D	98.6	Very high	97	Very high	7 Å²	7	7.2 Å²	7.2	4%	0.037	4%	0.036	C	C	.	.	H	α-helix	trans	-63.4	-45.3	172.8	-83.6	-1.7	0	0	0	111.8	P292 R295 F306 T308 I312 A313 S314 L453 K469	P292-D310 HydrophobicContact CG-CB 4.18Å; P292-D310 WeakPolarHBondContact CG-OD1 3.26Å; R295-D310 IonicContact CZ-OD1 3.37Å; R295-D310 IonicContact NE-OD1 3.44Å; R295-D310 PolarHBondContact NE-OD1 3.02Å; R295-D310 IonicContact NH2-OD1 2.9Å; R295-D310 PolarHBondContact NH2-OD1 3.05Å; F306-D310 VanDerWaalsContact O-CB 3.27Å; F306-D310 WeakPolarHBondContact O-CB 3.47Å; F306-D310 PolarHBondContact O-N 3.29Å; T308-D310 VanDerWaalsContact C-N 3.34Å; T308-D310 PolarHBondContact O-N 3.34Å; D310-I312 PolarHBondContact O-N 3.4Å; D310-A313 PolarHBondContact O-N 3.12Å; D310-S314 VanDerWaalsContact O-CB 3.24Å; D310-S314 WeakPolarHBondContact O-CB 3.32Å; D310-S314 PolarHBondContact O-N 2.85Å; D310-S314 PolarHBondContact O-OG 2.96Å; D310-L453 HydrophobicContact CB-CD2 4.27Å; D310-K469 IonicContact OD1-NZ 2.71Å; D310-K469 WeakPolarHBondContact OD2-CE 3.5Å; D310-K469 IonicContact OD2-NZ 3.27Å; D310-K469 PolarHBondContact OD2-NZ 2.66Å
311	L	98.6	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.2	-46.8	176.7	175.7	64.6	0	0	0	111.2	A307 T308 S314 Q315 L356 P420 I422 L453 A500	A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.43Å; A307-L311 PolarHBondContact O-N 3.48Å; T308-L311 PolarHBondContact O-N 3.43Å; L311-S314 PolarHBondContact O-N 3.02Å; L311-Q315 WeakPolarHBondContact O-CB 3.46Å; L311-Q315 PolarHBondContact O-N 2.88Å; L311-L356 HydrophobicContact CD2-CD1 3.84Å; L311-P420 WeakPolarHBondContact CD1-O 3.18Å; L311-I422 HydrophobicContact CB-CD1 3.74Å; L311-I422 HydrophobicContact CB-CG1 3.86Å; L311-I422 HydrophobicContact CD2-CD1 3.49Å; L311-I422 VanDerWaalsContact CD2-CD1 3.49Å; L311-I422 HydrophobicContact CD2-CG1 3.76Å; L311-I422 HydrophobicContact CG-CD1 4.22Å; L311-I422 HydrophobicContact CG-CG1 4.3Å; L311-L453 HydrophobicContact CB-CD1 4.07Å; L311-L453 HydrophobicContact CD1-CD1 4.16Å; L311-A500 HydrophobicContact CD2-CB 3.92Å; L311-A500 HydrophobicContact CG-CB 4.28Å
312	I	98.4	Very high	96.4	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-48.2	-179.1	-64	165.1	0	0	0	110.4	T308 S309 D310 S314 Q315 Y316 I330 L356 L359 L366 A393 V395	T308-I312 HydrophobicContact CG2-CD1 3.87Å; T308-I312 HydrophobicContact CG2-CG1 4.49Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.28Å; T308-I312 PolarHBondContact O-N 2.88Å; S309-I312 PolarHBondContact O-N 2.8Å; D310-I312 PolarHBondContact O-N 3.4Å; I312-S314 PolarHBondContact O-N 3.1Å; I312-Q315 PolarHBondContact O-N 3.42Å; I312-Y316 WeakPolarHBondContact O-CB 3.35Å; I312-Y316 PolarHBondContact O-N 2.97Å; I312-I330 HydrophobicContact CB-CD1 3.89Å; I312-I330 HydrophobicContact CG2-CD1 3.47Å; I312-I330 VanDerWaalsContact CG2-CD1 3.47Å; I312-L356 HydrophobicContact CD1-CD2 3.84Å; I312-L356 HydrophobicContact CG1-CD2 3.62Å; I312-L359 HydrophobicContact CD1-CD1 3.66Å; I312-L366 HydrophobicContact CD1-CD1 3.84Å; I312-A393 HydrophobicContact CG2-CB 3.63Å; I312-V395 HydrophobicContact CD1-CG2 3.85Å; I312-V395 HydrophobicContact CG1-CG2 3.75Å; I312-V395 HydrophobicContact CG2-CG2 4.18Å
313	A	98	Very high	96.1	Very high	6 Å²	6	14.6 Å²	14.6	5%	0.05	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-44.1	180	0	0	0	0	0	111.5	P292 S309 D310 A317 V327 I330	P292-A313 HydrophobicContact CG-CB 4.4Å; S309-A313 WeakPolarHBondContact O-CB 3.34Å; S309-A313 PolarHBondContact O-N 2.93Å; D310-A313 PolarHBondContact O-N 3.12Å; A313-A317 PolarHBondContact O-N 3.13Å; A313-A317 VanDerWaalsContact O-N 3.16Å; A313-V327 HydrophobicContact CB-CG1 3.84Å; A313-I330 HydrophobicContact CB-CD1 3.85Å; A313-I330 HydrophobicContact CB-CG1 3.98Å
314	S	97.9	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.2	-43	179	-75.9	0	0	0	0	113.4	V290 L291 P292 D310 L311 I312 Y316 A317 V318	V290-S314 WeakPolarHBondContact O-CA 3.23Å; V290-S314 VanDerWaalsContact O-CB 3.23Å; V290-S314 WeakPolarHBondContact O-CB 3.21Å; V290-S314 PolarHBondContact O-OG 3.48Å; L291-S314 WeakPolarHBondContact CA-OG 3.47Å; L291-S314 WeakPolarHBondContact CD2-OG 3.43Å; P292-S314 VanDerWaalsContact CD-OG 3.27Å; P292-S314 WeakPolarHBondContact CD-OG 3.46Å; D310-S314 VanDerWaalsContact O-CB 3.24Å; D310-S314 WeakPolarHBondContact O-CB 3.32Å; D310-S314 PolarHBondContact O-N 2.85Å; D310-S314 PolarHBondContact O-OG 2.96Å; L311-S314 PolarHBondContact O-N 3.02Å; I312-S314 PolarHBondContact O-N 3.1Å; S314-Y316 VanDerWaalsContact C-N 3.32Å; S314-Y316 PolarHBondContact O-N 2.88Å; S314-A317 PolarHBondContact O-N 2.75Å; S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 2.84Å
315	Q	95.9	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-41.3	178.6	-170.7	67.8	41.1	0	0	110.7	L311 I312 A317 V318 D319 W418 A500 T502	L311-Q315 WeakPolarHBondContact O-CB 3.46Å; L311-Q315 PolarHBondContact O-N 2.88Å; I312-Q315 PolarHBondContact O-N 3.42Å; Q315-A317 VanDerWaalsContact C-N 3.31Å; Q315-A317 PolarHBondContact O-N 3.26Å; Q315-V318 PolarHBondContact O-N 2.91Å; Q315-V318 VanDerWaalsContact O-N 3.11Å; Q315-D319 PolarHBondContact NE2-OD1 3.4Å; Q315-D319 WeakPolarHBondContact O-CB 3.38Å; Q315-D319 VanDerWaalsContact O-CG 3.23Å; Q315-D319 PolarHBondContact O-N 2.94Å; Q315-W418 VanDerWaalsContact CD-NE1 3.32Å; Q315-W418 PolarHBondContact NE2-O 3.4Å; Q315-A500 VanDerWaalsContact CG-O 3.22Å; Q315-A500 WeakPolarHBondContact CG-O 3.43Å; Q315-T502 HydrophobicContact CB-CG2 4.23Å; Q315-T502 HydrophobicContact CG-CG2 4.25Å
316	Y	95.7	Very high	94.9	Very high	35 Å²	35	30 Å²	30	14%	0.137	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-45.7	173.2	179.4	-100.4	0	0	0	112.4	I312 S314 V318 D319 H320 L322 E392 A393 T502	I312-Y316 WeakPolarHBondContact O-CB 3.35Å; I312-Y316 PolarHBondContact O-N 2.97Å; S314-Y316 VanDerWaalsContact C-N 3.32Å; S314-Y316 PolarHBondContact O-N 2.88Å; Y316-V318 VanDerWaalsContact C-N 3.31Å; Y316-V318 PolarHBondContact O-N 2.82Å; Y316-D319 PolarHBondContact O-N 2.96Å; Y316-H320 AromaticContact CD2-CD2 3.5Å; Y316-H320 VanDerWaalsContact CD2-CD2 3.5Å; Y316-H320 WeakPolarHBondContact CD2-CD2 3.46Å; Y316-H320 AromaticContact CD2-NE2 3.57Å; Y316-H320 AromaticContact CE2-CD2 3.33Å; Y316-H320 WeakPolarHBondContact CE2-CD2 3.24Å; Y316-H320 AromaticContact CE2-CE1 3.55Å; Y316-H320 AromaticContact CE2-CG 3.93Å; Y316-H320 AromaticContact CE2-NE2 3.09Å; Y316-H320 WeakPolarHBondContact CE2-NE2 3.09Å; Y316-H320 AromaticContact CZ-CD2 3.86Å; Y316-H320 AromaticContact CZ-CE1 3.92Å; Y316-H320 AromaticContact CZ-CG 4Å; Y316-H320 AromaticContact CZ-NE2 3.85Å; Y316-H320 WeakPolarHBondContact O-CB 3.35Å; Y316-H320 PolarHBondContact O-CD2 2.97Å; Y316-H320 VanDerWaalsContact O-CD2 3.31Å; Y316-H320 PolarHBondContact O-N 3.27Å; Y316-L322 HydrophobicContact CD1-CD1 4.21Å; Y316-L322 HydrophobicContact CE1-CD1 3.87Å; Y316-E392 HydrophobicContact CE1-CB 3.91Å; Y316-E392 WeakPolarHBondContact CE1-OE2 3.31Å; Y316-E392 HydrophobicContact CE2-CB 3.95Å; Y316-E392 VanDerWaalsContact CZ-CB 3.45Å; Y316-E392 VanDerWaalsContact OH-CB 3.26Å; Y316-E392 WeakPolarHBondContact OH-CB 3.32Å; Y316-E392 PolarHBondContact OH-OE2 3.42Å; Y316-A393 HydrophobicContact CD2-CB 3.83Å; Y316-A393 HydrophobicContact CG-CB 3.75Å; Y316-T502 VanDerWaalsContact CA-OG1 3.29Å; Y316-T502 WeakPolarHBondContact CA-OG1 3.29Å
317	A	95.7	Very high	94.7	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-37.3	176.4	0	0	0	0	0	112.6	V290 A313 S314 Q315 H321 L322 V327	V290-A317 HydrophobicContact CB-CB 3.89Å; V290-A317 HydrophobicContact CG1-CB 4.02Å; A313-A317 PolarHBondContact O-N 3.13Å; A313-A317 VanDerWaalsContact O-N 3.16Å; S314-A317 PolarHBondContact O-N 2.75Å; Q315-A317 VanDerWaalsContact C-N 3.31Å; Q315-A317 PolarHBondContact O-N 3.26Å; A317-H321 PolarHBondContact O-N 3.41Å; A317-L322 HydrophobicContact CB-CB 4.18Å; A317-L322 PolarHBondContact O-N 3.21Å; A317-V327 HydrophobicContact CB-CG2 3.78Å
318	V	92.9	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-52.1	174.8	171.9	0	0	0	0	111.3	W285 V290 S314 Q315 Y316 H320 H321 W323 W418 N519	W285-V318 HydrophobicContact CE3-CG2 4.13Å; W285-V318 HydrophobicContact CH2-CG1 4.29Å; W285-V318 HydrophobicContact CH2-CG2 4.39Å; W285-V318 HydrophobicContact CZ3-CG2 4.01Å; V290-V318 HydrophobicContact CB-CG2 4.17Å; V290-V318 HydrophobicContact CG1-CG2 4.4Å; V290-V318 HydrophobicContact CG2-CG2 3.86Å; S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 2.84Å; Q315-V318 PolarHBondContact O-N 2.91Å; Q315-V318 VanDerWaalsContact O-N 3.11Å; Y316-V318 VanDerWaalsContact C-N 3.31Å; Y316-V318 PolarHBondContact O-N 2.82Å; V318-H320 PolarHBondContact O-N 2.8Å; V318-H321 PolarHBondContact O-CD2 2.95Å; V318-H321 PolarHBondContact O-N 2.62Å; V318-W323 HydrophobicContact CG1-CH2 4.24Å; V318-W323 HydrophobicContact CG2-CZ3 4.28Å; V318-W418 WeakPolarHBondContact CG1-O 3.44Å; V318-N519 HydrophobicContact CG1-CB 3.9Å; V318-N519 WeakPolarHBondContact CG1-ND2 3.22Å
319	D	90.9	Very high	94.5	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-30.7	-177.1	-69.7	-7.5	0	0	0	112.5	Q315 Y316 T502 K503	Q315-D319 PolarHBondContact NE2-OD1 3.4Å; Q315-D319 WeakPolarHBondContact O-CB 3.38Å; Q315-D319 VanDerWaalsContact O-CG 3.23Å; Q315-D319 PolarHBondContact O-N 2.94Å; Y316-D319 PolarHBondContact O-N 2.96Å; D319-T502 WeakPolarHBondContact OD2-CA 3.44Å; D319-T502 WeakPolarHBondContact OD2-CB 3.29Å; D319-T502 PolarHBondContact OD2-N 3.11Å; D319-T502 PolarHBondContact OD2-OG1 3.28Å; D319-K503 HydrophobicContact CB-CB 4.1Å; D319-K503 PolarHBondContact OD2-N 3.06Å
320	H	91.3	Very high	94.4	Very high	61 Å²	61	38.4 Å²	38.4	28%	0.282	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7	178.1	-71.8	-109.2	0	0	0	113.8	Y316 V318 L322 K503	Y316-H320 AromaticContact CD2-CD2 3.5Å; Y316-H320 VanDerWaalsContact CD2-CD2 3.5Å; Y316-H320 WeakPolarHBondContact CD2-CD2 3.46Å; Y316-H320 AromaticContact CD2-NE2 3.57Å; Y316-H320 AromaticContact CE2-CD2 3.33Å; Y316-H320 WeakPolarHBondContact CE2-CD2 3.24Å; Y316-H320 AromaticContact CE2-CE1 3.55Å; Y316-H320 AromaticContact CE2-CG 3.93Å; Y316-H320 AromaticContact CE2-NE2 3.09Å; Y316-H320 WeakPolarHBondContact CE2-NE2 3.09Å; Y316-H320 AromaticContact CZ-CD2 3.86Å; Y316-H320 AromaticContact CZ-CE1 3.92Å; Y316-H320 AromaticContact CZ-CG 4Å; Y316-H320 AromaticContact CZ-NE2 3.85Å; Y316-H320 WeakPolarHBondContact O-CB 3.35Å; Y316-H320 PolarHBondContact O-CD2 2.97Å; Y316-H320 VanDerWaalsContact O-CD2 3.31Å; Y316-H320 PolarHBondContact O-N 3.27Å; V318-H320 PolarHBondContact O-N 2.8Å; H320-L322 VanDerWaalsContact C-N 3.26Å; H320-L322 HydrophobicContact CB-CD1 4.18Å; H320-L322 HydrophobicContact CB-CD2 4.23Å; H320-L322 HydrophobicContact CB-CG 3.82Å; H320-L322 PolarHBondContact O-N 2.96Å; H320-K503 WeakPolarHBondContact NE2-CD 3.31Å
321	H	90.8	Very high	94.4	Very high	102 Å²	102	38 Å²	38	47%	0.472	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.7	179.6	-52.5	137.7	0	0	0	113.7	A317 V318 W323	A317-H321 PolarHBondContact O-N 3.41Å; V318-H321 PolarHBondContact O-CD2 2.95Å; V318-H321 PolarHBondContact O-N 2.62Å; H321-W323 HydrophobicContact CB-CZ2 4.37Å; H321-W323 AromaticContact CD2-CZ2 3.74Å; H321-W323 PolarHBondContact O-N 3.44Å
322	L	92.1	Very high	94.4	Very high	42 Å²	42	38 Å²	38	22%	0.22	20%	0.197	C	C	.	.			trans	-81	50.7	-179	-57.1	-177.7	0	0	0	111.9	Y316 A317 H320 N324 K325	Y316-L322 HydrophobicContact CD1-CD1 4.21Å; Y316-L322 HydrophobicContact CE1-CD1 3.87Å; A317-L322 HydrophobicContact CB-CB 4.18Å; A317-L322 PolarHBondContact O-N 3.21Å; H320-L322 VanDerWaalsContact C-N 3.26Å; H320-L322 HydrophobicContact CB-CD1 4.18Å; H320-L322 HydrophobicContact CB-CD2 4.23Å; H320-L322 HydrophobicContact CB-CG 3.82Å; H320-L322 PolarHBondContact O-N 2.96Å; L322-N324 PolarHBondContact O-N 2.82Å; L322-K325 HydrophobicContact CB-CB 4.32Å; L322-K325 HydrophobicContact CB-CD 4.06Å; L322-K325 HydrophobicContact CD2-CD 3.9Å; L322-K325 PolarHBondContact O-N 3.46Å
323	W	92.3	Very high	94.4	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.061	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	130.8	-176.4	-47.4	121.4	0	0	0	112.4	W285 C288 V290 V318 H321 K325 F522 C523 H526	W285-W323 HydrophobicContact CE3-CZ3 4.34Å; W285-W323 AromaticContact CZ3-CH2 3.92Å; W285-W323 HydrophobicContact CZ3-CH2 3.92Å; W285-W323 AromaticContact CZ3-CZ3 3.73Å; W285-W323 HydrophobicContact CZ3-CZ3 3.73Å; C288-W323 HydrophobicContact CB-CE3 4.02Å; C288-W323 HydrophobicContact CB-CZ3 4.27Å; V290-W323 HydrophobicContact CG1-CE3 3.46Å; V290-W323 VanDerWaalsContact CG1-CE3 3.46Å; V290-W323 HydrophobicContact CG1-CZ3 3.59Å; V318-W323 HydrophobicContact CG1-CH2 4.24Å; V318-W323 HydrophobicContact CG2-CZ3 4.28Å; H321-W323 HydrophobicContact CB-CZ2 4.37Å; H321-W323 AromaticContact CD2-CZ2 3.74Å; H321-W323 PolarHBondContact O-N 3.44Å; W323-K325 PolarHBondContact O-N 2.93Å; W323-F522 HydrophobicContact CZ2-CB 4.15Å; W323-C523 HydrophobicContact CD2-CB 3.98Å; W323-C523 HydrophobicContact CE3-CB 3.7Å; W323-C523 HydrophobicContact CH2-CB 3.91Å; W323-C523 HydrophobicContact CZ2-CB 4.15Å; W323-C523 HydrophobicContact CZ3-CB 3.68Å; W323-H526 AromaticContact CD1-CD2 3.86Å; W323-H526 AromaticContact CD1-CG 3.51Å; W323-H526 AromaticContact CD1-ND1 3.8Å; W323-H526 HydrophobicContact CG-CB 4.29Å
324	N	90.4	Very high	94.4	Very high	96 Å²	96	37.7 Å²	37.7	51%	0.513	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	25.6	-177.7	-54.2	-46.5	0	0	0	114.7	C288 L322 N527	C288-N324 PolarHBondContact O-N 2.83Å; C288-N324 PolarHBondContact O-OD1 2.69Å; L322-N324 PolarHBondContact O-N 2.82Å; N324-N527 PolarHBondContact ND2-OD1 2.71Å
325	K	88.6	Confident	94.4	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	19%	0.194	S	C	*	.	S	Bend	trans	-96.5	148.9	169.7	-65.3	-175.4	178.9	179.5	0	109.3	L322 W323 V327	L322-K325 HydrophobicContact CB-CB 4.32Å; L322-K325 HydrophobicContact CB-CD 4.06Å; L322-K325 HydrophobicContact CD2-CD 3.9Å; L322-K325 PolarHBondContact O-N 3.46Å; W323-K325 PolarHBondContact O-N 2.93Å; K325-V327 PolarHBondContact O-N 3.01Å; K325-V327 VanDerWaalsContact O-N 3.14Å
326	S	90.1	Very high	94.6	Very high	100 Å²	100	37.8 Å²	37.8	70%	0.699	20%	0.195	S	C	*	.			trans	-58.8	120.1	174.8	-171.8	0	0	0	0	109.9
327	V	95.4	Very high	94.7	Very high	22 Å²	22	36.9 Å²	36.9	13%	0.133	19%	0.192	C	C	.	.			trans	-90	106	174.2	-178.8	0	0	0	0	108.1	P292 A313 A317 K325	P292-V327 HydrophobicContact CB-CG1 4.24Å; A313-V327 HydrophobicContact CB-CG1 3.84Å; A317-V327 HydrophobicContact CB-CG2 3.78Å; K325-V327 PolarHBondContact O-N 3.01Å; K325-V327 VanDerWaalsContact O-N 3.14Å
328	H	94.6	Very high	94.8	Very high	134 Å²	134	38 Å²	38	62%	0.62	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-66.7	137.4	177.1	-59	106.5	0	0	0	110.8	M368	H328-M368 HydrophobicContact CB-CE 3.11Å
329	A	97.2	Very high	95	Very high	25 Å²	25	38.6 Å²	38.6	21%	0.207	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.7	136.2	-178.2	0	0	0	0	0	111.7	M368 E369	A329-M368 VanDerWaalsContact O-CE 3.27Å; A329-M368 WeakPolarHBondContact O-CE 3.43Å; A329-E369 HydrophobicContact CB-CB 3.81Å; A329-E369 HydrophobicContact CB-CG 4.3Å; A329-E369 WeakPolarHBondContact O-CB 3.23Å; A329-E369 PolarHBondContact O-N 3.18Å
330	I	98	Very high	95.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-86.8	140.5	170.3	-64.8	177.1	0	0	0	108.6	R295 S309 I312 A313 A332 L366 M368 A393	R295-I330 PolarHBondContact NH1-O 3.11Å; S309-I330 WeakPolarHBondContact CB-O 3.19Å; I312-I330 HydrophobicContact CB-CD1 3.89Å; I312-I330 HydrophobicContact CG2-CD1 3.47Å; I312-I330 VanDerWaalsContact CG2-CD1 3.47Å; A313-I330 HydrophobicContact CB-CD1 3.85Å; A313-I330 HydrophobicContact CB-CG1 3.98Å; I330-A332 PolarHBondContact O-N 3.29Å; I330-A332 VanDerWaalsContact O-N 3.12Å; I330-L366 HydrophobicContact CG2-CB 3.44Å; I330-L366 VanDerWaalsContact CG2-CB 3.44Å; I330-L366 HydrophobicContact CG2-CD1 3.67Å; I330-L366 HydrophobicContact CG2-CG 4.22Å; I330-M368 HydrophobicContact CG1-SD 4.49Å; I330-A393 HydrophobicContact CD1-CB 4.11Å
331	S	98	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.			trans	-61.8	112.2	-175.7	178.3	0	0	0	0	111.7	Q333 A334 P367 E369 Y372	S331-Q333 VanDerWaalsContact C-N 3.27Å; S331-Q333 PolarHBondContact OG-N 3.41Å; S331-A334 PolarHBondContact OG-N 2.9Å; S331-P367 WeakPolarHBondContact CB-O 3.24Å; S331-P367 PolarHBondContact N-O 3.48Å; S331-E369 WeakPolarHBondContact CA-OE2 3.5Å; S331-Y372 WeakPolarHBondContact CB-O 3.45Å; S331-Y372 PolarHBondContact OG-O 2.96Å
332	A	98.5	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-32	167.8	0	0	0	0	0	110.7	A305 F306 I330 A334 I335 I336 E369	A305-A332 HydrophobicContact CB-CB 4.25Å; F306-A332 HydrophobicContact CD1-CB 4.19Å; F306-A332 HydrophobicContact CD2-CB 4.13Å; F306-A332 HydrophobicContact CE1-CB 4.09Å; F306-A332 HydrophobicContact CE2-CB 4.03Å; F306-A332 HydrophobicContact CG-CB 4.2Å; F306-A332 HydrophobicContact CZ-CB 4Å; I330-A332 PolarHBondContact O-N 3.29Å; I330-A332 VanDerWaalsContact O-N 3.12Å; A332-A334 VanDerWaalsContact C-N 3.34Å; A332-A334 PolarHBondContact O-N 3.3Å; A332-I335 WeakPolarHBondContact O-CB 3.34Å; A332-I335 PolarHBondContact O-N 2.85Å; A332-I336 WeakPolarHBondContact O-CG1 3.42Å; A332-I336 PolarHBondContact O-N 2.87Å; A332-I336 VanDerWaalsContact O-N 3.11Å; A332-E369 PolarHBondContact N-OE2 3.34Å
333	Q	98.5	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-41.4	178.4	-166.2	64.1	46	0	0	112.5	S331 I335 I336 D337 Y372 P373 Y374 E377	S331-Q333 VanDerWaalsContact C-N 3.27Å; S331-Q333 PolarHBondContact OG-N 3.41Å; Q333-I335 PolarHBondContact O-N 3.04Å; Q333-I336 WeakPolarHBondContact O-CB 3.33Å; Q333-I336 PolarHBondContact O-N 3.28Å; Q333-D337 PolarHBondContact NE2-OD1 3.48Å; Q333-D337 PolarHBondContact O-N 3.33Å; Q333-Y372 HydrophobicContact CB-CD1 3.75Å; Q333-Y372 HydrophobicContact CB-CE1 3.89Å; Q333-Y372 HydrophobicContact CG-CD1 3.72Å; Q333-Y372 HydrophobicContact CG-CE1 3.41Å; Q333-Y372 VanDerWaalsContact CG-CE1 3.41Å; Q333-P373 WeakPolarHBondContact CB-O 3.34Å; Q333-P373 WeakPolarHBondContact CG-O 3.31Å; Q333-Y374 HydrophobicContact CB-CD2 4.46Å; Q333-E377 PolarHBondContact NE2-O 3.48Å
334	A	98.1	Very high	96.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-26.7	176.9	0	0	0	0	0	112.9	S331 A332 C338 L366 P367 Y372	S331-A334 PolarHBondContact OG-N 2.9Å; A332-A334 VanDerWaalsContact C-N 3.34Å; A332-A334 PolarHBondContact O-N 3.3Å; A334-C338 WeakPolarHBondContact O-CB 3.33Å; A334-C338 PolarHBondContact O-N 3.12Å; A334-L366 HydrophobicContact CB-CD2 4.49Å; A334-P367 VanDerWaalsContact CB-CD 3.46Å; A334-P367 HydrophobicContact CB-CG 3.33Å; A334-Y372 HydrophobicContact CB-CD2 4.03Å; A334-Y372 HydrophobicContact CB-CE2 4.1Å; A334-Y372 HydrophobicContact CB-CG 4.32Å
335	I	98.5	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.1	-44.4	171	-67	170.5	0	0	0	109.8	Y304 A305 T308 A332 Q333 M339 V355 L366	Y304-I335 HydrophobicContact CD2-CG2 4.37Å; Y304-I335 HydrophobicContact CE2-CG2 3.79Å; A305-I335 HydrophobicContact CB-CB 3.88Å; A305-I335 HydrophobicContact CB-CD1 4.45Å; A305-I335 HydrophobicContact CB-CG2 3.61Å; T308-I335 HydrophobicContact CG2-CD1 4.01Å; A332-I335 WeakPolarHBondContact O-CB 3.34Å; A332-I335 PolarHBondContact O-N 2.85Å; Q333-I335 PolarHBondContact O-N 3.04Å; I335-M339 HydrophobicContact CB-CG 4.36Å; I335-M339 HydrophobicContact CG2-CG 3.91Å; I335-M339 WeakPolarHBondContact O-CB 3.46Å; I335-M339 VanDerWaalsContact O-CG 3.32Å; I335-M339 WeakPolarHBondContact O-CG 3.45Å; I335-M339 PolarHBondContact O-N 3.03Å; I335-M339 VanDerWaalsContact O-N 3.17Å; I335-V355 HydrophobicContact CD1-CG1 4.38Å; I335-V355 HydrophobicContact CG1-CG1 4.32Å; I335-V355 HydrophobicContact CG2-CG1 3.98Å; I335-V355 HydrophobicContact CG2-CG2 4.07Å; I335-L366 HydrophobicContact CD1-CD1 3.76Å; I335-L366 HydrophobicContact CG1-CD1 3.72Å; I335-L366 HydrophobicContact CG1-CD2 4.05Å
336	I	98.5	Very high	97.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-48.4	-179.4	-66.4	166.8	0	0	0	111.1	A302 A305 A332 Q333 A346 Y374	A302-I336 HydrophobicContact CB-CD1 3.63Å; A302-I336 HydrophobicContact CB-CG1 4.28Å; A305-I336 HydrophobicContact CB-CD1 4.45Å; A305-I336 HydrophobicContact CB-CG1 3.93Å; A332-I336 WeakPolarHBondContact O-CG1 3.42Å; A332-I336 PolarHBondContact O-N 2.87Å; A332-I336 VanDerWaalsContact O-N 3.11Å; Q333-I336 WeakPolarHBondContact O-CB 3.33Å; Q333-I336 PolarHBondContact O-N 3.28Å; I336-A346 HydrophobicContact CG2-CB 3.73Å; I336-Y374 HydrophobicContact CD1-CD2 4.17Å; I336-Y374 HydrophobicContact CD1-CE2 3.51Å
337	D	98.4	Very high	97.5	Very high	16 Å²	16	30.7 Å²	30.7	9%	0.086	17%	0.171	C	C	.	.	H	α-helix	trans	-81.7	-27.7	-172.6	-64.7	-5.9	0	0	0	113.9	Q333 Y372 G379 C381	Q333-D337 PolarHBondContact NE2-OD1 3.48Å; Q333-D337 PolarHBondContact O-N 3.33Å; D337-Y372 WeakPolarHBondContact CB-OH 3.34Å; D337-Y372 VanDerWaalsContact OD2-CE1 3.3Å; D337-Y372 WeakPolarHBondContact OD2-CE1 2.97Å; D337-Y372 VanDerWaalsContact OD2-CZ 3.31Å; D337-Y372 PolarHBondContact OD2-OH 3.19Å; D337-G379 WeakPolarHBondContact CB-O 3.36Å; D337-G379 WeakPolarHBondContact OD1-CA 3.32Å; D337-G379 PolarHBondContact OD1-N 2.84Å; D337-C381 WeakPolarHBondContact O-CB 3.49Å
338	C	97.8	Very high	97.6	Very high	25 Å²	25	36.8 Å²	36.8	17%	0.169	20%	0.198	C	C	.	.	H	α-helix	trans	-117.1	-12.9	-166.3	-57.8	0	0	0	0	115.1	A334 C381	A334-C338 WeakPolarHBondContact O-CB 3.33Å; A334-C338 PolarHBondContact O-N 3.12Å; C338-C381 HydrophobicContact CB-CB 3.88Å; C338-C381 WeakPolarHBondContact CB-SG 3.4Å; C338-C381 WeakPolarHBondContact SG-CA 3.48Å; C338-C381 WeakPolarHBondContact SG-CB 3.36Å; C338-C381 CovalentContact SG-SG 2.04Å; C338-C381 PolarHBondContact SG-SG 3.11Å
339	M	97.9	Very high	97.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.059	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-83.3	124.4	178.9	-68.7	-65.7	122.4	0	0	110.3	I335 A344 V355 L358 L359 L366	I335-M339 HydrophobicContact CB-CG 4.36Å; I335-M339 HydrophobicContact CG2-CG 3.91Å; I335-M339 WeakPolarHBondContact O-CB 3.46Å; I335-M339 VanDerWaalsContact O-CG 3.32Å; I335-M339 WeakPolarHBondContact O-CG 3.45Å; I335-M339 PolarHBondContact O-N 3.03Å; I335-M339 VanDerWaalsContact O-N 3.17Å; M339-A344 HydrophobicContact CB-CB 3.58Å; M339-V355 HydrophobicContact CB-CG2 4.41Å; M339-V355 HydrophobicContact CG-CG1 3.94Å; M339-V355 HydrophobicContact CG-CG2 4.15Å; M339-V355 HydrophobicContact SD-CG1 3.96Å; M339-L358 HydrophobicContact SD-CD2 3.86Å; M339-L359 HydrophobicContact CE-CD2 3.79Å; M339-L359 HydrophobicContact SD-CD2 4.44Å; M339-L366 HydrophobicContact CE-CD2 4.31Å
340	P	97.2	Very high	97.7	Very high	71 Å²	71	29.2 Å²	29.2	46%	0.461	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-77.2	164.4	-179.3	33.3	-37.1	0	0	0	112.3	A343 A344 L358	P340-A343 WeakPolarHBondContact O-CB 3.34Å; P340-A343 PolarHBondContact O-N 3.4Å; P340-A344 PolarHBondContact O-N 2.75Å; P340-L358 HydrophobicContact CG-CD2 3.63Å
341	E	97	Very high	97.8	Very high	137 Å²	137	32.1 Å²	32.1	64%	0.64	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	150	163.8	-64.5	-169.9	-159.8	0	0	111.9	A343 Y345	E341-A343 VanDerWaalsContact C-N 3.31Å; E341-Y345 HydrophobicContact CB-CE1 4.23Å; E341-Y345 VanDerWaalsContact CD-CD1 3.45Å; E341-Y345 HydrophobicContact CG-CD1 3.63Å; E341-Y345 HydrophobicContact CG-CE1 3.43Å; E341-Y345 VanDerWaalsContact CG-CE1 3.43Å; E341-Y345 HydrophobicContact CG-CG 4.28Å; E341-Y345 WeakPolarHBondContact OE1-CD1 3.19Å; E341-Y345 WeakPolarHBondContact OE1-CE1 3.45Å; E341-Y345 WeakPolarHBondContact OE2-CE1 3.34Å
342	P	95.6	Very high	97.8	Very high	88 Å²	88	32.2 Å²	32.2	57%	0.571	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.4	15.1	-2.6	36.4	-36.5	0	0	0	113.2	Y345 R351	P342-Y345 WeakPolarHBondContact CA-OH 3.05Å; P342-R351 PolarHBondContact O-NH1 3.05Å
343	A	97.4	Very high	97.8	Very high	9 Å²	9	33 Å²	33	7%	0.074	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-43.7	-179	0	0	0	0	0	111.8	P340 E341 G350 R351 V355	P340-A343 WeakPolarHBondContact O-CB 3.34Å; P340-A343 PolarHBondContact O-N 3.4Å; E341-A343 VanDerWaalsContact C-N 3.31Å; A343-G350 WeakPolarHBondContact O-CA 3.4Å; A343-R351 PolarHBondContact O-N 2.98Å; A343-V355 HydrophobicContact CB-CG2 4.23Å
344	A	98	Very high	97.7	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-143.6	155.4	-178	0	0	0	0	0	111.6	Y304 M339 P340 V355	Y304-A344 HydrophobicContact CE2-CB 3.6Å; M339-A344 HydrophobicContact CB-CB 3.58Å; P340-A344 PolarHBondContact O-N 2.75Å; A344-V355 HydrophobicContact CB-CG2 4.48Å
345	Y	97.9	Very high	97.7	Very high	53 Å²	53	33.9 Å²	33.9	21%	0.208	18%	0.182	C	C	.	.			trans	-137	41.8	178.7	-56	-106.3	0	0	0	108.1	K257 E341 P342 C347 E348 G349	K257-Y345 HydrophobicContact CD-CD2 3.46Å; K257-Y345 VanDerWaalsContact CD-CD2 3.46Å; K257-Y345 HydrophobicContact CD-CE2 3.49Å; K257-Y345 VanDerWaalsContact CD-CE2 3.49Å; K257-Y345 HydrophobicContact CD-CG 4.31Å; K257-Y345 VanDerWaalsContact CE-CG 3.43Å; E341-Y345 HydrophobicContact CB-CE1 4.23Å; E341-Y345 VanDerWaalsContact CD-CD1 3.45Å; E341-Y345 HydrophobicContact CG-CD1 3.63Å; E341-Y345 HydrophobicContact CG-CE1 3.43Å; E341-Y345 VanDerWaalsContact CG-CE1 3.43Å; E341-Y345 HydrophobicContact CG-CG 4.28Å; E341-Y345 WeakPolarHBondContact OE1-CD1 3.19Å; E341-Y345 WeakPolarHBondContact OE1-CE1 3.45Å; E341-Y345 WeakPolarHBondContact OE2-CE1 3.34Å; P342-Y345 WeakPolarHBondContact CA-OH 3.05Å; Y345-C347 PolarHBondContact O-N 2.92Å; Y345-E348 WeakPolarHBondContact O-CA 3.48Å; Y345-E348 WeakPolarHBondContact O-CB 3.16Å; Y345-E348 PolarHBondContact O-N 2.8Å; Y345-G349 WeakPolarHBondContact CA-O 3.16Å; Y345-G349 WeakPolarHBondContact CB-O 3.4Å; Y345-G349 PolarHBondContact N-O 3.29Å
346	A	97.3	Very high	97.7	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	46.7	-118.6	-175.1	0	0	0	0	0	113.5	Y304 I336 E348 G349 E378	Y304-A346 VanDerWaalsContact CE1-O 3.27Å; Y304-A346 WeakPolarHBondContact CE1-O 3.46Å; Y304-A346 WeakPolarHBondContact OH-CA 3.43Å; Y304-A346 PolarHBondContact OH-O 2.93Å; I336-A346 HydrophobicContact CG2-CB 3.73Å; A346-E348 VanDerWaalsContact C-N 3.33Å; A346-G349 PolarHBondContact O-N 2.79Å; A346-E378 HydrophobicContact CB-CB 3.58Å; A346-E378 HydrophobicContact CB-CG 3.42Å; A346-E378 VanDerWaalsContact CB-CG 3.42Å; A346-E378 VanDerWaalsContact CB-OE2 3.31Å; A346-E378 WeakPolarHBondContact CB-OE2 3.33Å
347	C	97.3	Very high	97.6	Very high	39 Å²	39	38.3 Å²	38.3	26%	0.264	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-77.9	-10.4	179	-70.9	0	0	0	0	114.6	C300 G301 Y345 G349	C300-C347 HydrophobicContact CB-CB 3.98Å; C300-C347 WeakPolarHBondContact CB-SG 3.24Å; C300-C347 WeakPolarHBondContact SG-CA 3.37Å; C300-C347 WeakPolarHBondContact SG-CB 3.06Å; C300-C347 CovalentContact SG-SG 2.04Å; C300-C347 PolarHBondContact SG-SG 3.14Å; G301-C347 VanDerWaalsContact CA-O 3.24Å; G301-C347 WeakPolarHBondContact CA-O 3.41Å; G301-C347 PolarHBondContact N-O 2.68Å; Y345-C347 PolarHBondContact O-N 2.92Å; C347-G349 PolarHBondContact O-N 2.75Å
348	E	96.8	Very high	97.6	Very high	151 Å²	151	39.8 Å²	39.8	71%	0.706	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-79.7	0	171.3	-54.6	-170	166.7	0	0	112.8	K257 Y345 A346	K257-E348 VanDerWaalsContact CE-O 3.31Å; K257-E348 WeakPolarHBondContact CE-O 3.2Å; K257-E348 PolarHBondContact NZ-O 2.88Å; Y345-E348 WeakPolarHBondContact O-CA 3.48Å; Y345-E348 WeakPolarHBondContact O-CB 3.16Å; Y345-E348 PolarHBondContact O-N 2.8Å; A346-E348 VanDerWaalsContact C-N 3.33Å
349	G	97.7	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.			trans	105.9	-177.2	172.1	0	0	0	0	0	115	G255 G301 Y345 A346 C347	G255-G349 CarbonylContact O-C 3.21Å; G255-G349 WeakPolarHBondContact O-CA 3.33Å; G301-G349 WeakPolarHBondContact O-CA 3.44Å; Y345-G349 WeakPolarHBondContact CA-O 3.16Å; Y345-G349 WeakPolarHBondContact CB-O 3.4Å; Y345-G349 PolarHBondContact N-O 3.29Å; A346-G349 PolarHBondContact O-N 2.79Å; C347-G349 PolarHBondContact O-N 2.75Å
350	G	98.2	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-173.5	-178.1	-173.4	0	0	0	0	0	114.1	G255 K257 A343	G255-G350 PolarHBondContact O-N 2.78Å; K257-G350 PolarHBondContact N-O 3.06Å; A343-G350 WeakPolarHBondContact O-CA 3.4Å
351	R	98.3	Very high	97.4	Very high	64 Å²	64	44 Å²	44	24%	0.242	22%	0.219	C	C	.	.			trans	-116.5	106.7	-173.7	-65.4	177.4	173.3	92.3	2.9	108.5	K257 S259 P342 A343 Y353 G354 V355	K257-R351 HydrophobicContact CB-CG 3.96Å; K257-R351 VanDerWaalsContact O-CG 3.32Å; K257-R351 WeakPolarHBondContact O-CG 3.28Å; S259-R351 VanDerWaalsContact OG-CD 3.22Å; S259-R351 WeakPolarHBondContact OG-CD 3.27Å; S259-R351 WeakPolarHBondContact OG-CG 3.48Å; P342-R351 PolarHBondContact O-NH1 3.05Å; A343-R351 PolarHBondContact O-N 2.98Å; R351-Y353 PolarHBondContact O-N 3.3Å; R351-G354 WeakPolarHBondContact O-CA 3.45Å; R351-G354 PolarHBondContact O-N 3.44Å; R351-V355 PolarHBondContact O-N 2.85Å
352	P	98.4	Very high	97.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-52.5	-45.3	-179.8	-26.7	32.9	0	0	0	112.8	L256 T308 G354 V355 L356 I422 A451	L256-P352 HydrophobicContact CD1-CG 4.21Å; T308-P352 VanDerWaalsContact OG1-CA 3.31Å; T308-P352 WeakPolarHBondContact OG1-CA 3.4Å; T308-P352 WeakPolarHBondContact OG1-CB 3.31Å; P352-G354 PolarHBondContact O-N 2.85Å; P352-V355 PolarHBondContact O-N 3.32Å; P352-L356 WeakPolarHBondContact O-CG 2.99Å; P352-L356 PolarHBondContact O-N 3.36Å; P352-I422 HydrophobicContact CB-CD1 3.91Å; P352-I422 HydrophobicContact CB-CG2 4.1Å; P352-I422 HydrophobicContact CG-CG2 4.15Å; P352-A451 HydrophobicContact CG-CB 4.03Å
353	Y	98	Very high	97.3	Very high	17 Å²	17	41.2 Å²	41.2	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-38.4	176.9	-176.6	-118.6	0	0	0	113.5	E262 R351 V355 L356 K357 A398 Y496 V498	E262-Y353 HydrophobicContact CB-CE1 4.49Å; E262-Y353 VanDerWaalsContact CD-CE1 3.42Å; E262-Y353 HydrophobicContact CG-CE1 3.84Å; E262-Y353 WeakPolarHBondContact OE1-CE1 3.49Å; E262-Y353 PolarHBondContact OE2-OH 3.07Å; R351-Y353 PolarHBondContact O-N 3.3Å; Y353-V355 VanDerWaalsContact C-N 3.35Å; Y353-L356 PolarHBondContact O-N 2.96Å; Y353-K357 HydrophobicContact CE1-CD 4.03Å; Y353-K357 VanDerWaalsContact O-CB 3.23Å; Y353-K357 WeakPolarHBondContact O-CB 3.21Å; Y353-K357 PolarHBondContact O-N 3.41Å; Y353-A398 HydrophobicContact CD2-CB 4.17Å; Y353-A398 HydrophobicContact CE2-CB 3.97Å; Y353-A398 WeakPolarHBondContact CE2-O 3.19Å; Y353-A398 PolarHBondContact OH-O 2.76Å; Y353-Y496 WeakPolarHBondContact CB-OH 3.49Å; Y353-V498 HydrophobicContact CD2-CG1 3.85Å; Y353-V498 HydrophobicContact CG-CG1 4.45Å
354	G	97.9	Very high	97.1	Very high	20 Å²	20	42.7 Å²	42.7	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-42.9	177	0	0	0	0	0	111.9	R351 P352 L358	R351-G354 WeakPolarHBondContact O-CA 3.45Å; R351-G354 PolarHBondContact O-N 3.44Å; P352-G354 PolarHBondContact O-N 2.85Å; G354-L358 WeakPolarHBondContact O-CB 3.25Å; G354-L358 PolarHBondContact O-N 3.12Å
355	V	98.5	Very high	97	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-50.7	174.9	174.9	0	0	0	0	110.5	Y304 T308 I335 M339 A343 A344 R351 P352 Y353 K357 L358 L359	Y304-V355 HydrophobicContact CD2-CG2 4.22Å; Y304-V355 HydrophobicContact CE2-CG2 4.33Å; T308-V355 HydrophobicContact CG2-CB 4.23Å; T308-V355 HydrophobicContact CG2-CG1 3.76Å; I335-V355 HydrophobicContact CD1-CG1 4.38Å; I335-V355 HydrophobicContact CG1-CG1 4.32Å; I335-V355 HydrophobicContact CG2-CG1 3.98Å; I335-V355 HydrophobicContact CG2-CG2 4.07Å; M339-V355 HydrophobicContact CB-CG2 4.41Å; M339-V355 HydrophobicContact CG-CG1 3.94Å; M339-V355 HydrophobicContact CG-CG2 4.15Å; M339-V355 HydrophobicContact SD-CG1 3.96Å; A343-V355 HydrophobicContact CB-CG2 4.23Å; A344-V355 HydrophobicContact CB-CG2 4.48Å; R351-V355 PolarHBondContact O-N 2.85Å; P352-V355 PolarHBondContact O-N 3.32Å; Y353-V355 VanDerWaalsContact C-N 3.35Å; V355-K357 VanDerWaalsContact C-N 3.35Å; V355-K357 PolarHBondContact O-N 2.95Å; V355-L358 PolarHBondContact O-N 3.25Å; V355-L359 HydrophobicContact CG1-CD1 3.95Å; V355-L359 HydrophobicContact CG1-CG 4.41Å; V355-L359 WeakPolarHBondContact O-CG 3.22Å; V355-L359 PolarHBondContact O-N 2.87Å
356	L	98.1	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-41.3	179.8	-70.4	164.5	0	0	0	112.9	T308 L311 I312 P352 Y353 L358 L359 A360 V395 A398 I422 V498 A500	T308-L356 HydrophobicContact CG2-CD2 3.77Å; T308-L356 HydrophobicContact CG2-CG 3.79Å; L311-L356 HydrophobicContact CD2-CD1 3.84Å; I312-L356 HydrophobicContact CD1-CD2 3.84Å; I312-L356 HydrophobicContact CG1-CD2 3.62Å; P352-L356 WeakPolarHBondContact O-CG 2.99Å; P352-L356 PolarHBondContact O-N 3.36Å; Y353-L356 PolarHBondContact O-N 2.96Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.14Å; L356-L359 PolarHBondContact O-N 3.08Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 2.79Å; L356-V395 HydrophobicContact CD2-CG1 4.4Å; L356-V395 HydrophobicContact CD2-CG2 4.09Å; L356-A398 HydrophobicContact CB-CB 3.47Å; L356-A398 VanDerWaalsContact CB-CB 3.47Å; L356-A398 HydrophobicContact CD1-CB 4.21Å; L356-A398 HydrophobicContact CG-CB 4.37Å; L356-I422 HydrophobicContact CD1-CD1 4.38Å; L356-V498 HydrophobicContact CD1-CG1 3.56Å; L356-A500 HydrophobicContact CD1-CB 4.32Å; L356-A500 HydrophobicContact CD2-CB 3.87Å
357	K	96.5	Very high	97	Very high	96 Å²	96	45 Å²	45	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-38.9	176.9	-173.5	168.5	-175.9	160.6	0	111.4	E262 Y353 V355 K361	E262-K357 IonicContact OE1-NZ 3.83Å; E262-K357 PolarHBondContact OE1-NZ 3.01Å; E262-K357 IonicContact OE2-NZ 2.78Å; E262-K357 PolarHBondContact OE2-NZ 2.88Å; Y353-K357 HydrophobicContact CE1-CD 4.03Å; Y353-K357 VanDerWaalsContact O-CB 3.23Å; Y353-K357 WeakPolarHBondContact O-CB 3.21Å; Y353-K357 PolarHBondContact O-N 3.41Å; V355-K357 VanDerWaalsContact C-N 3.35Å; V355-K357 PolarHBondContact O-N 2.95Å; K357-K361 WeakPolarHBondContact O-CB 3.36Å; K357-K361 PolarHBondContact O-N 3.14Å
358	L	97.8	Very high	97	Very high	47 Å²	47	44.6 Å²	44.6	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-46.4	175.2	-175.4	62.3	0	0	0	111.6	M339 P340 G354 V355 L356 A360 K361 T362	M339-L358 HydrophobicContact SD-CD2 3.86Å; P340-L358 HydrophobicContact CG-CD2 3.63Å; G354-L358 WeakPolarHBondContact O-CB 3.25Å; G354-L358 PolarHBondContact O-N 3.12Å; V355-L358 PolarHBondContact O-N 3.25Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.14Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.39Å; L358-K361 PolarHBondContact O-N 2.98Å; L358-K361 VanDerWaalsContact O-N 3.16Å; L358-T362 HydrophobicContact CD1-CG2 3.89Å; L358-T362 HydrophobicContact CG-CG2 4.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.37Å; L358-T362 PolarHBondContact O-N 3.08Å; L358-T362 PolarHBondContact O-OG1 3Å
359	L	97.7	Very high	97	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-40.6	176.7	-68.3	171.5	0	0	0	112.2	I312 M339 V355 L356 R363 Q364 L366 V395	I312-L359 HydrophobicContact CD1-CD1 3.66Å; M339-L359 HydrophobicContact CE-CD2 3.79Å; M339-L359 HydrophobicContact SD-CD2 4.44Å; V355-L359 HydrophobicContact CG1-CD1 3.95Å; V355-L359 HydrophobicContact CG1-CG 4.41Å; V355-L359 WeakPolarHBondContact O-CG 3.22Å; V355-L359 PolarHBondContact O-N 2.87Å; L356-L359 PolarHBondContact O-N 3.08Å; L359-R363 VanDerWaalsContact O-CA 3.31Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 3.42Å; L359-Q364 HydrophobicContact CD2-CB 4.25Å; L359-Q364 HydrophobicContact CD2-CG 4.5Å; L359-Q364 PolarHBondContact O-N 3.27Å; L359-L366 HydrophobicContact CD1-CD1 3.87Å; L359-L366 HydrophobicContact CD1-CG 4.2Å; L359-L366 HydrophobicContact CD2-CD2 4.03Å; L359-L366 HydrophobicContact CD2-CG 4.12Å; L359-V395 HydrophobicContact CB-CB 4.15Å; L359-V395 HydrophobicContact CB-CG2 4.17Å; L359-V395 HydrophobicContact CD1-CG2 4.34Å
360	A	95.8	Very high	96.9	Very high	15 Å²	15	43.8 Å²	43.8	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-46.9	173.5	0	0	0	0	0	111.9	L356 L358 R363 V395	L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 2.79Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.39Å; A360-R363 VanDerWaalsContact O-CD 3.29Å; A360-R363 WeakPolarHBondContact O-CD 3.38Å; A360-V395 WeakPolarHBondContact CA-O 3.42Å; A360-V395 HydrophobicContact CB-CG1 4.04Å
361	K	96.2	Very high	96.9	Very high	180 Å²	180	45.3 Å²	45.3	78%	0.783	22%	0.224	S	C	*	.	H	α-helix	trans	-66	-44.3	-179.7	-177.7	-178.8	177.2	-176.8	0	112.7	K357 L358 R363	K357-K361 WeakPolarHBondContact O-CB 3.36Å; K357-K361 PolarHBondContact O-N 3.14Å; L358-K361 PolarHBondContact O-N 2.98Å; L358-K361 VanDerWaalsContact O-N 3.16Å; K361-R363 VanDerWaalsContact C-N 3.33Å
362	T	95.9	Very high	96.8	Very high	71 Å²	71	42.4 Å²	42.4	44%	0.436	21%	0.213	S	C	.	.	H	α-helix	trans	-84.1	-11.4	-177.3	60.6	0	0	0	0	112.8	L358 Q364	L358-T362 HydrophobicContact CD1-CG2 3.89Å; L358-T362 HydrophobicContact CG-CG2 4.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.37Å; L358-T362 PolarHBondContact O-N 3.08Å; L358-T362 PolarHBondContact O-OG1 3Å; T362-Q364 PolarHBondContact O-N 2.8Å; T362-Q364 VanDerWaalsContact O-N 3.11Å; T362-Q364 VanDerWaalsContact OG1-CB 3.23Å; T362-Q364 WeakPolarHBondContact OG1-CB 3.23Å; T362-Q364 PolarHBondContact OG1-N 3.44Å
363	R	93.9	Very high	96.8	Very high	96 Å²	96	45.5 Å²	45.5	36%	0.362	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	24.4	-172	-60.8	-62.2	-63.4	-156.4	1.6	112.3	L359 A360 K361 Q394 E396	L359-R363 VanDerWaalsContact O-CA 3.31Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 3.42Å; A360-R363 VanDerWaalsContact O-CD 3.29Å; A360-R363 WeakPolarHBondContact O-CD 3.38Å; K361-R363 VanDerWaalsContact C-N 3.33Å; R363-Q394 PolarHBondContact O-NE2 2.8Å; R363-E396 IonicContact CZ-OE1 2.81Å; R363-E396 VanDerWaalsContact NH1-CA 3.31Å; R363-E396 VanDerWaalsContact NH1-CB 3.32Å; R363-E396 IonicContact NH1-OE1 3.26Å; R363-E396 PolarHBondContact NH1-OE1 2.83Å; R363-E396 IonicContact NH2-OE1 2.68Å; R363-E396 PolarHBondContact NH2-OE1 3.18Å
364	Q	92.9	Very high	96.8	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.182	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-76.9	131.6	-176.9	-179.5	-178	-27.9	0	0	110.6	L359 T362	L359-Q364 HydrophobicContact CD2-CB 4.25Å; L359-Q364 HydrophobicContact CD2-CG 4.5Å; L359-Q364 PolarHBondContact O-N 3.27Å; T362-Q364 PolarHBondContact O-N 2.8Å; T362-Q364 VanDerWaalsContact O-N 3.11Å; T362-Q364 VanDerWaalsContact OG1-CB 3.23Å; T362-Q364 WeakPolarHBondContact OG1-CB 3.23Å; T362-Q364 PolarHBondContact OG1-N 3.44Å
365	R	95.7	Very high	96.8	Very high	103 Å²	103	49.6 Å²	49.6	39%	0.389	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-86.7	143.5	168.5	-67	175.9	169.9	-172.2	-1.4	110.2	T390 S391 E392 Q394	R365-T390 HydrophobicContact CB-CG2 4.44Å; R365-S391 WeakPolarHBondContact CD-O 3.39Å; R365-E392 PolarHBondContact NH2-O 3.07Å; R365-Q394 HydrophobicContact CG-CB 4.03Å; R365-Q394 HydrophobicContact CG-CG 4.29Å
366	L	97.1	Very high	96.7	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-87.3	148.9	175.5	-70.6	173.9	0	0	0	110	I312 I330 A334 I335 M339 L359 T390 S391	I312-L366 HydrophobicContact CD1-CD1 3.84Å; I330-L366 HydrophobicContact CG2-CB 3.44Å; I330-L366 VanDerWaalsContact CG2-CB 3.44Å; I330-L366 HydrophobicContact CG2-CD1 3.67Å; I330-L366 HydrophobicContact CG2-CG 4.22Å; A334-L366 HydrophobicContact CB-CD2 4.49Å; I335-L366 HydrophobicContact CD1-CD1 3.76Å; I335-L366 HydrophobicContact CG1-CD1 3.72Å; I335-L366 HydrophobicContact CG1-CD2 4.05Å; M339-L366 HydrophobicContact CE-CD2 4.31Å; L359-L366 HydrophobicContact CD1-CD1 3.87Å; L359-L366 HydrophobicContact CD1-CG 4.2Å; L359-L366 HydrophobicContact CD2-CD2 4.03Å; L359-L366 HydrophobicContact CD2-CG 4.12Å; L366-T390 CarbonylContact O-C 3.47Å; L366-T390 WeakPolarHBondContact O-CA 3.23Å; L366-S391 WeakPolarHBondContact O-CB 3.41Å; L366-S391 PolarHBondContact O-N 3.04Å; L366-S391 PolarHBondContact O-OG 2.79Å
367	P	97.6	Very high	96.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-68.1	155.9	172.5	29.5	-32.4	0	0	0	111.6	S331 A334 Y372 R383 C386	S331-P367 WeakPolarHBondContact CB-O 3.24Å; S331-P367 PolarHBondContact N-O 3.48Å; A334-P367 VanDerWaalsContact CB-CD 3.46Å; A334-P367 HydrophobicContact CB-CG 3.33Å; P367-Y372 HydrophobicContact CB-CD2 4.41Å; P367-Y372 HydrophobicContact CG-CD2 3.7Å; P367-Y372 HydrophobicContact CG-CG 4.13Å; P367-R383 HydrophobicContact CG-CG 4.47Å; P367-C386 HydrophobicContact CB-CB 3.54Å
368	M	97.4	Very high	96.6	Very high	32 Å²	32	61.6 Å²	61.6	16%	0.158	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-69.4	148.5	170.3	-63	-52.7	-67	0	0	110.9	H328 A329 I330 S370 C371 Y372 E389 S391	H328-M368 HydrophobicContact CB-CE 3.11Å; A329-M368 VanDerWaalsContact O-CE 3.27Å; A329-M368 WeakPolarHBondContact O-CE 3.43Å; I330-M368 HydrophobicContact CG1-SD 4.49Å; M368-S370 PolarHBondContact O-N 3.5Å; M368-C371 PolarHBondContact O-N 3.06Å; M368-C371 VanDerWaalsContact O-N 3.09Å; M368-Y372 PolarHBondContact O-N 3Å; M368-E389 WeakPolarHBondContact CG-O 3.45Å; M368-E389 PolarHBondContact N-O 3.49Å; M368-S391 WeakPolarHBondContact SD-CA 3.24Å
369	E	97.2	Very high	96.5	Very high	38 Å²	38	60.2 Å²	60.2	18%	0.178	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.3	175.6	-173.6	72.4	-144.1	0	0	111.8	R295 A329 S331 A332 C371 Y372 P373 Y374	R295-E369 IonicContact NH1-OE2 2.79Å; R295-E369 PolarHBondContact NH1-OE2 3.46Å; A329-E369 HydrophobicContact CB-CB 3.81Å; A329-E369 HydrophobicContact CB-CG 4.3Å; A329-E369 WeakPolarHBondContact O-CB 3.23Å; A329-E369 PolarHBondContact O-N 3.18Å; S331-E369 WeakPolarHBondContact CA-OE2 3.5Å; A332-E369 PolarHBondContact N-OE2 3.34Å; E369-C371 VanDerWaalsContact C-N 3.32Å; E369-C371 PolarHBondContact O-N 3.4Å; E369-Y372 CarbonylContact O-C 3.33Å; E369-P373 VanDerWaalsContact O-CA 3.31Å; E369-P373 WeakPolarHBondContact O-CA 3.45Å; E369-Y374 VanDerWaalsContact OE1-CB 3.29Å; E369-Y374 WeakPolarHBondContact OE1-CB 3.43Å; E369-Y374 PolarHBondContact OE1-N 3.2Å
370	S	96.2	Very high	96.5	Very high	95 Å²	95	69.2 Å²	69.2	66%	0.664	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.5	177.1	54.8	0	0	0	0	113.9	M368	M368-S370 PolarHBondContact O-N 3.5Å
371	C	97.2	Very high	96.6	Very high	32 Å²	32	71.9 Å²	71.9	22%	0.216	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-34.2	178	-175.4	0	0	0	0	112.2	M368 E369 P373 C386 E389	M368-C371 PolarHBondContact O-N 3.06Å; M368-C371 VanDerWaalsContact O-N 3.09Å; E369-C371 VanDerWaalsContact C-N 3.32Å; E369-C371 PolarHBondContact O-N 3.4Å; C371-P373 WeakPolarHBondContact O-CD 3.33Å; C371-C386 HydrophobicContact CB-CB 3.9Å; C371-C386 WeakPolarHBondContact CB-SG 3.29Å; C371-C386 PolarHBondContact O-SG 2.81Å; C371-C386 VanDerWaalsContact O-SG 3.34Å; C371-C386 WeakPolarHBondContact SG-CA 3.1Å; C371-C386 WeakPolarHBondContact SG-CB 3.31Å; C371-C386 CovalentContact SG-SG 2.04Å; C371-C386 PolarHBondContact SG-SG 2.92Å; C371-E389 HydrophobicContact CB-CB 3.67Å; C371-E389 HydrophobicContact CB-CG 4.35Å; C371-E389 WeakPolarHBondContact CB-OE2 3.27Å
372	Y	97.9	Very high	96.5	Very high	3 Å²	3	66.4 Å²	66.4	1%	0.012	33%	0.333	C	S	.	.	S	Bend	trans	-126.5	77.2	-177.3	-154.2	-39.9	0	0	0	109.8	S331 Q333 A334 D337 P367 M368 E369 R382	S331-Y372 WeakPolarHBondContact CB-O 3.45Å; S331-Y372 PolarHBondContact OG-O 2.96Å; Q333-Y372 HydrophobicContact CB-CD1 3.75Å; Q333-Y372 HydrophobicContact CB-CE1 3.89Å; Q333-Y372 HydrophobicContact CG-CD1 3.72Å; Q333-Y372 HydrophobicContact CG-CE1 3.41Å; Q333-Y372 VanDerWaalsContact CG-CE1 3.41Å; A334-Y372 HydrophobicContact CB-CD2 4.03Å; A334-Y372 HydrophobicContact CB-CE2 4.1Å; A334-Y372 HydrophobicContact CB-CG 4.32Å; D337-Y372 WeakPolarHBondContact CB-OH 3.34Å; D337-Y372 VanDerWaalsContact OD2-CE1 3.3Å; D337-Y372 WeakPolarHBondContact OD2-CE1 2.97Å; D337-Y372 VanDerWaalsContact OD2-CZ 3.31Å; D337-Y372 PolarHBondContact OD2-OH 3.19Å; P367-Y372 HydrophobicContact CB-CD2 4.41Å; P367-Y372 HydrophobicContact CG-CD2 3.7Å; P367-Y372 HydrophobicContact CG-CG 4.13Å; M368-Y372 PolarHBondContact O-N 3Å; E369-Y372 CarbonylContact O-C 3.33Å; Y372-R382 HydrophobicContact CD2-CG 4.46Å; Y372-R382 HydrophobicContact CE1-CG 4Å; Y372-R382 HydrophobicContact CE2-CB 4.46Å; Y372-R382 HydrophobicContact CE2-CG 3.58Å; Y372-R382 WeakPolarHBondContact OH-CG 3.06Å; Y372-R382 PolarHBondContact OH-N 3.33Å
373	P	97.6	Very high	96.3	Very high	67 Å²	67	66.2 Å²	66.2	44%	0.435	32%	0.324	S	S	.	.			trans	-67.2	155.6	-175.2	-20.2	33.8	0	0	0	112.8	Q333 E369 C371	Q333-P373 WeakPolarHBondContact CB-O 3.34Å; Q333-P373 WeakPolarHBondContact CG-O 3.31Å; E369-P373 VanDerWaalsContact O-CA 3.31Å; E369-P373 WeakPolarHBondContact O-CA 3.45Å; C371-P373 WeakPolarHBondContact O-CD 3.33Å
374	Y	98.3	Very high	96.2	Very high	39 Å²	39	69 Å²	69	15%	0.153	34%	0.341	C	S	.	.			trans	-70.2	131	173.7	-171.6	-124.8	0	0	0	113.3	E296 Q297 A302 F306 Q333 I336 E369 M376	E296-Y374 WeakPolarHBondContact O-CE1 3.2Å; Q297-Y374 VanDerWaalsContact O-CE1 3.25Å; Q297-Y374 WeakPolarHBondContact O-CE1 3.4Å; Q297-Y374 VanDerWaalsContact O-CZ 3.28Å; Q297-Y374 PolarHBondContact O-OH 2.93Å; A302-Y374 HydrophobicContact CB-CE2 4.49Å; F306-Y374 HydrophobicContact CE2-CD1 4.4Å; F306-Y374 HydrophobicContact CE2-CD2 4.22Å; F306-Y374 AromaticContact CE2-CE1 3.89Å; F306-Y374 HydrophobicContact CE2-CE1 3.89Å; F306-Y374 AromaticContact CE2-CE2 3.75Å; F306-Y374 HydrophobicContact CE2-CE2 3.75Å; F306-Y374 AromaticContact CE2-CZ 3.54Å; F306-Y374 AromaticContact CZ-CD1 3.7Å; F306-Y374 HydrophobicContact CZ-CD1 3.7Å; F306-Y374 AromaticContact CZ-CD2 3.95Å; F306-Y374 HydrophobicContact CZ-CD2 3.95Å; F306-Y374 AromaticContact CZ-CE1 3.57Å; F306-Y374 HydrophobicContact CZ-CE1 3.57Å; F306-Y374 AromaticContact CZ-CE2 3.9Å; F306-Y374 HydrophobicContact CZ-CE2 3.9Å; F306-Y374 AromaticContact CZ-CG 3.86Å; F306-Y374 HydrophobicContact CZ-CG 3.86Å; F306-Y374 AromaticContact CZ-CZ 3.69Å; Q333-Y374 HydrophobicContact CB-CD2 4.46Å; I336-Y374 HydrophobicContact CD1-CD2 4.17Å; I336-Y374 HydrophobicContact CD1-CE2 3.51Å; E369-Y374 VanDerWaalsContact OE1-CB 3.29Å; E369-Y374 WeakPolarHBondContact OE1-CB 3.43Å; E369-Y374 PolarHBondContact OE1-N 3.2Å; Y374-M376 HydrophobicContact CD1-CE 4.47Å; Y374-M376 HydrophobicContact CD1-CG 3.83Å; Y374-M376 HydrophobicContact CE1-CB 4.14Å; Y374-M376 HydrophobicContact CE1-CE 4.35Å; Y374-M376 HydrophobicContact CE1-CG 3.32Å
375	E	97.4	Very high	96.2	Very high	84 Å²	84	75.4 Å²	75.4	39%	0.393	37%	0.368	S	S	.	.			trans	-115.7	-4.3	-175.2	-68	177.2	168.5	0	0	113	E377 R382	E375-E377 HydrophobicContact CB-CG 4.42Å; E375-E377 PolarHBondContact O-N 2.83Å; E375-R382 IonicContact OE1-CZ 3.34Å; E375-R382 IonicContact OE1-NH1 3.14Å; E375-R382 PolarHBondContact OE1-NH1 2.83Å; E375-R382 IonicContact OE1-NH2 3.3Å; E375-R382 PolarHBondContact OE1-NH2 3.01Å; E375-R382 IonicContact OE2-CZ 3.16Å; E375-R382 VanDerWaalsContact OE2-CZ 3.27Å; E375-R382 IonicContact OE2-NH1 2.84Å; E375-R382 PolarHBondContact OE2-NH1 3.04Å; E375-R382 IonicContact OE2-NH2 3.01Å; E375-R382 PolarHBondContact OE2-NH2 3.4Å
376	M	95.7	Very high	96.2	Very high	89 Å²	89	70.7 Å²	70.7	44%	0.438	35%	0.351	S	S	.	.	S	Bend	trans	63.9	12.6	-178.4	-56.9	178.4	-174.3	0	0	115.6	C300 Y374	C300-M376 WeakPolarHBondContact CB-O 3.34Å; Y374-M376 HydrophobicContact CD1-CE 4.47Å; Y374-M376 HydrophobicContact CD1-CG 3.83Å; Y374-M376 HydrophobicContact CE1-CB 4.14Å; Y374-M376 HydrophobicContact CE1-CE 4.35Å; Y374-M376 HydrophobicContact CE1-CG 3.32Å
377	E	96.5	Very high	95.8	Very high	125 Å²	125	74.8 Å²	74.8	58%	0.584	37%	0.373	S	S	*	.	S	Bend	trans	-145.4	168.8	178.7	63.9	-177.4	-172.5	0	0	111.5	Q333 E375	Q333-E377 PolarHBondContact NE2-O 3.48Å; E375-E377 HydrophobicContact CB-CG 4.42Å; E375-E377 PolarHBondContact O-N 2.83Å
378	E	96.6	Very high	95.5	Very high	133 Å²	133	82.6 Å²	82.6	62%	0.621	42%	0.415	S	S	*	.			trans	-77.3	126.5	172.4	-173.6	178.5	171.5	0	0	110.8	A346	A346-E378 HydrophobicContact CB-CB 3.58Å; A346-E378 HydrophobicContact CB-CG 3.42Å; A346-E378 VanDerWaalsContact CB-CG 3.42Å; A346-E378 VanDerWaalsContact CB-OE2 3.31Å; A346-E378 WeakPolarHBondContact CB-OE2 3.33Å
379	G	96.2	Very high	95.2	Very high	19 Å²	19	85.8 Å²	85.8	20%	0.196	43%	0.43	C	S	.	.			trans	-113	173.3	171.6	0	0	0	0	0	112.7	D337	D337-G379 WeakPolarHBondContact CB-O 3.36Å; D337-G379 WeakPolarHBondContact OD1-CA 3.32Å; D337-G379 PolarHBondContact OD1-N 2.84Å
380	K	96.9	Very high	94.9	Very high	190 Å²	190	86 Å²	86	83%	0.826	43%	0.433	S	S	*	.			trans	-69.4	134	167.1	-65.9	-176.5	-179.3	-179.1	0	109.6	R382	K380-R382 PolarHBondContact O-N 3.3Å
381	C	97.5	Very high	94.7	Very high	71 Å²	71	81.7 Å²	81.7	48%	0.48	40%	0.403	S	S	.	.			trans	-53.8	115.4	173.7	-177.2	0	0	0	0	111.5	D337 C338	D337-C381 WeakPolarHBondContact O-CB 3.49Å; C338-C381 HydrophobicContact CB-CB 3.88Å; C338-C381 WeakPolarHBondContact CB-SG 3.4Å; C338-C381 WeakPolarHBondContact SG-CA 3.48Å; C338-C381 WeakPolarHBondContact SG-CB 3.36Å; C338-C381 CovalentContact SG-SG 2.04Å; C338-C381 PolarHBondContact SG-SG 3.11Å
382	R	95.4	Very high	94.3	Very high	64 Å²	64	86.2 Å²	86.2	24%	0.242	42%	0.421	C	S	.	.			trans	-126.2	28.5	-177	54.4	-179.4	-176.4	-114.5	-6.2	112.4	Y372 E375 K380 E384 K385	Y372-R382 HydrophobicContact CD2-CG 4.46Å; Y372-R382 HydrophobicContact CE1-CG 4Å; Y372-R382 HydrophobicContact CE2-CB 4.46Å; Y372-R382 HydrophobicContact CE2-CG 3.58Å; Y372-R382 WeakPolarHBondContact OH-CG 3.06Å; Y372-R382 PolarHBondContact OH-N 3.33Å; E375-R382 IonicContact OE1-CZ 3.34Å; E375-R382 IonicContact OE1-NH1 3.14Å; E375-R382 PolarHBondContact OE1-NH1 2.83Å; E375-R382 IonicContact OE1-NH2 3.3Å; E375-R382 PolarHBondContact OE1-NH2 3.01Å; E375-R382 IonicContact OE2-CZ 3.16Å; E375-R382 VanDerWaalsContact OE2-CZ 3.27Å; E375-R382 IonicContact OE2-NH1 2.84Å; E375-R382 PolarHBondContact OE2-NH1 3.04Å; E375-R382 IonicContact OE2-NH2 3.01Å; E375-R382 PolarHBondContact OE2-NH2 3.4Å; K380-R382 PolarHBondContact O-N 3.3Å; R382-E384 PolarHBondContact O-N 3.02Å; R382-K385 HydrophobicContact CB-CD 4.2Å; R382-K385 WeakPolarHBondContact O-CB 3.22Å; R382-K385 PolarHBondContact O-N 3.42Å; R382-K385 VanDerWaalsContact O-N 3.14Å
383	R	91.2	Very high	94.1	Very high	68 Å²	68	86.3 Å²	86.3	26%	0.257	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.7	-176	-179.9	178.5	59.6	91.7	-1.5	113.2	P367 K385 C386	P367-R383 HydrophobicContact CG-CG 4.47Å; R383-K385 PolarHBondContact O-N 3Å; R383-K385 VanDerWaalsContact O-N 3.17Å; R383-C386 WeakPolarHBondContact O-CA 3.47Å; R383-C386 PolarHBondContact O-N 2.81Å
384	E	92	Very high	93.9	Very high	154 Å²	154	85.3 Å²	85.3	72%	0.72	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-59.1	-27.8	-179.3	-62.5	177.7	-177.8	0	0	113.1	R382 C386 N387	R382-E384 PolarHBondContact O-N 3.02Å; E384-C386 PolarHBondContact O-N 3.07Å; E384-N387 PolarHBondContact O-N 2.85Å; E384-N387 PolarHBondContact O-ND2 3.02Å
385	K	92.8	Very high	93.8	Very high	173 Å²	173	83.6 Å²	83.6	75%	0.752	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.3	174.8	-60.7	-174.6	-179.8	-178.4	0	112.9	R382 R383	R382-K385 HydrophobicContact CB-CD 4.2Å; R382-K385 WeakPolarHBondContact O-CB 3.22Å; R382-K385 PolarHBondContact O-N 3.42Å; R382-K385 VanDerWaalsContact O-N 3.14Å; R383-K385 PolarHBondContact O-N 3Å; R383-K385 VanDerWaalsContact O-N 3.17Å
386	C	94.6	Very high	93.7	Very high	5 Å²	5	82.4 Å²	82.4	3%	0.034	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-112.8	21.6	-177.6	-66.9	0	0	0	0	113.2	P367 C371 R383 E384 N388 E389 T390	P367-C386 HydrophobicContact CB-CB 3.54Å; C371-C386 HydrophobicContact CB-CB 3.9Å; C371-C386 WeakPolarHBondContact CB-SG 3.29Å; C371-C386 PolarHBondContact O-SG 2.81Å; C371-C386 VanDerWaalsContact O-SG 3.34Å; C371-C386 WeakPolarHBondContact SG-CA 3.1Å; C371-C386 WeakPolarHBondContact SG-CB 3.31Å; C371-C386 CovalentContact SG-SG 2.04Å; C371-C386 PolarHBondContact SG-SG 2.92Å; R383-C386 WeakPolarHBondContact O-CA 3.47Å; R383-C386 PolarHBondContact O-N 2.81Å; E384-C386 PolarHBondContact O-N 3.07Å; C386-N388 PolarHBondContact O-N 2.91Å; C386-N388 VanDerWaalsContact O-N 3.17Å; C386-E389 CarbonylContact O-C 3.42Å; C386-E389 PolarHBondContact O-N 3.38Å; C386-T390 PolarHBondContact O-N 3.1Å
387	N	90.2	Very high	93.5	Very high	90 Å²	90	79.7 Å²	79.7	48%	0.481	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.9	-179.5	-77.3	-18.8	0	0	0	113.5	E384	E384-N387 PolarHBondContact O-N 2.85Å; E384-N387 PolarHBondContact O-ND2 3.02Å
388	N	90.1	Very high	93.4	Very high	164 Å²	164	74.2 Å²	74.2	88%	0.877	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.1	177.7	-64.8	-17.3	0	0	0	113.6	C386	C386-N388 PolarHBondContact O-N 2.91Å; C386-N388 VanDerWaalsContact O-N 3.17Å
389	E	92.4	Very high	93.2	Very high	99 Å²	99	69.2 Å²	69.2	46%	0.463	34%	0.337	S	S	.	.	S	Bend	trans	-127.7	41.4	-176.2	-67.4	-173.6	-124.7	0	0	110.9	M368 C371 C386	M368-E389 WeakPolarHBondContact CG-O 3.45Å; M368-E389 PolarHBondContact N-O 3.49Å; C371-E389 HydrophobicContact CB-CB 3.67Å; C371-E389 HydrophobicContact CB-CG 4.35Å; C371-E389 WeakPolarHBondContact CB-OE2 3.27Å; C386-E389 CarbonylContact O-C 3.42Å; C386-E389 PolarHBondContact O-N 3.38Å
390	T	91.2	Very high	93.1	Very high	42 Å²	42	68.3 Å²	68.3	26%	0.258	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-79.9	151.2	173.2	64.3	0	0	0	0	112	R365 L366 C386	R365-T390 HydrophobicContact CB-CG2 4.44Å; L366-T390 CarbonylContact O-C 3.47Å; L366-T390 WeakPolarHBondContact O-CA 3.23Å; C386-T390 PolarHBondContact O-N 3.1Å
391	S	90.1	Very high	92.9	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.028	29%	0.289	C	S	.	.			trans	-57.4	140.7	169.6	66.4	0	0	0	0	111.2	R365 L366 M368 A393	R365-S391 WeakPolarHBondContact CD-O 3.39Å; L366-S391 WeakPolarHBondContact O-CB 3.41Å; L366-S391 PolarHBondContact O-N 3.04Å; L366-S391 PolarHBondContact O-OG 2.79Å; M368-S391 WeakPolarHBondContact SD-CA 3.24Å; S391-A393 PolarHBondContact O-N 3.3Å; S391-A393 PolarHBondContact OG-O 3.18Å
392	E	90.1	Very high	92.7	Very high	128 Å²	128	59.4 Å²	59.4	60%	0.598	29%	0.285	S	S	*	.	S	Bend	trans	-62.3	-27.9	169.7	-62.2	-179.3	171.3	0	0	111.4	Y316 R365 Q394	Y316-E392 HydrophobicContact CE1-CB 3.91Å; Y316-E392 WeakPolarHBondContact CE1-OE2 3.31Å; Y316-E392 HydrophobicContact CE2-CB 3.95Å; Y316-E392 VanDerWaalsContact CZ-CB 3.45Å; Y316-E392 VanDerWaalsContact OH-CB 3.26Å; Y316-E392 WeakPolarHBondContact OH-CB 3.32Å; Y316-E392 PolarHBondContact OH-OE2 3.42Å; R365-E392 PolarHBondContact NH2-O 3.07Å; E392-Q394 PolarHBondContact O-N 3.29Å
393	A	93	Very high	92.4	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.033	27%	0.273	C	S	.	.			trans	-64.2	125.7	176.3	0	0	0	0	0	112.2	I312 Y316 I330 S391	I312-A393 HydrophobicContact CG2-CB 3.63Å; Y316-A393 HydrophobicContact CD2-CB 3.83Å; Y316-A393 HydrophobicContact CG-CB 3.75Å; I330-A393 HydrophobicContact CD1-CB 4.11Å; S391-A393 PolarHBondContact O-N 3.3Å; S391-A393 PolarHBondContact OG-O 3.18Å
394	Q	94.5	Very high	92.1	Very high	46 Å²	46	55.2 Å²	55.2	22%	0.215	28%	0.276	C	S	.	.			trans	-124.1	123.9	169.5	-175.5	179.2	49.9	0	0	108	R363 R365 E392 E396 T502	R363-Q394 PolarHBondContact O-NE2 2.8Å; R365-Q394 HydrophobicContact CG-CB 4.03Å; R365-Q394 HydrophobicContact CG-CG 4.29Å; E392-Q394 PolarHBondContact O-N 3.29Å; Q394-E396 PolarHBondContact O-N 2.66Å; Q394-T502 VanDerWaalsContact O-CA 3.28Å; Q394-T502 WeakPolarHBondContact O-CA 3.44Å
395	V	95.7	Very high	91.5	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	27%	0.271	C	S	.	.			trans	-71.1	127	176.7	-174.7	0	0	0	0	108.6	I312 L356 L359 A360 A500	I312-V395 HydrophobicContact CD1-CG2 3.85Å; I312-V395 HydrophobicContact CG1-CG2 3.75Å; I312-V395 HydrophobicContact CG2-CG2 4.18Å; L356-V395 HydrophobicContact CD2-CG1 4.4Å; L356-V395 HydrophobicContact CD2-CG2 4.09Å; L359-V395 HydrophobicContact CB-CB 4.15Å; L359-V395 HydrophobicContact CB-CG2 4.17Å; L359-V395 HydrophobicContact CD1-CG2 4.34Å; A360-V395 WeakPolarHBondContact CA-O 3.42Å; A360-V395 HydrophobicContact CB-CG1 4.04Å; V395-A500 HydrophobicContact CG1-CB 4.43Å
396	E	94.1	Very high	90.8	Very high	60 Å²	60	43.5 Å²	43.5	28%	0.28	24%	0.242	S	C	.	.			trans	-97.1	-41.6	176.1	-49.1	-148.7	120.8	0	0	112.4	R363 Q394 C501 C505	R363-E396 IonicContact CZ-OE1 2.81Å; R363-E396 VanDerWaalsContact NH1-CA 3.31Å; R363-E396 VanDerWaalsContact NH1-CB 3.32Å; R363-E396 IonicContact NH1-OE1 3.26Å; R363-E396 PolarHBondContact NH1-OE1 2.83Å; R363-E396 IonicContact NH2-OE1 2.68Å; R363-E396 PolarHBondContact NH2-OE1 3.18Å; Q394-E396 PolarHBondContact O-N 2.66Å; E396-C501 PolarHBondContact N-O 3.06Å; E396-C505 HydrophobicContact CB-CB 3.88Å; E396-C505 VanDerWaalsContact CB-SG 3.52Å; E396-C505 HydrophobicContact CG-CB 4.33Å; E396-C505 VanDerWaalsContact CG-SG 3.58Å; E396-C505 WeakPolarHBondContact OE2-CB 3.23Å; E396-C505 PolarHBondContact OE2-N 3.41Å; E396-C505 PolarHBondContact OE2-SG 3.12Å
397	W	92.4	Very high	90.1	Very high	31 Å²	31	52.2 Å²	52.2	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.6	169.7	65	-115.1	0	0	0	110.6	K399 W418 I499 C501 C505	W397-K399 HydrophobicContact CE3-CB 4.21Å; W397-K399 HydrophobicContact CE3-CD 4.25Å; W397-K399 HydrophobicContact CE3-CG 3.72Å; W397-K399 HydrophobicContact CH2-CD 4.3Å; W397-K399 HydrophobicContact CH2-CG 4.49Å; W397-K399 HydrophobicContact CZ3-CB 3.76Å; W397-K399 HydrophobicContact CZ3-CD 3.88Å; W397-K399 HydrophobicContact CZ3-CG 3.6Å; W397-W418 AromaticContact CH2-CE2 3.99Å; W397-W418 AromaticContact CH2-CH2 3.86Å; W397-W418 HydrophobicContact CH2-CH2 3.86Å; W397-W418 AromaticContact CH2-CZ2 3.65Å; W397-W418 HydrophobicContact CH2-CZ2 3.65Å; W397-W418 HydrophobicContact CH2-CZ3 4.4Å; W397-W418 AromaticContact CZ2-CH2 3.28Å; W397-W418 HydrophobicContact CZ2-CH2 3.28Å; W397-W418 AromaticContact CZ2-CZ2 3.44Å; W397-W418 HydrophobicContact CZ2-CZ2 3.44Å; W397-W418 VanDerWaalsContact CZ2-CZ2 3.44Å; W397-W418 HydrophobicContact CZ2-CZ3 4.01Å; W397-I499 HydrophobicContact CH2-CD1 3.71Å; W397-I499 HydrophobicContact CH2-CG1 4.05Å; W397-I499 HydrophobicContact CZ3-CD1 3.98Å; W397-I499 HydrophobicContact CZ3-CG1 3.84Å; W397-C501 HydrophobicContact CD2-CB 3.64Å; W397-C501 HydrophobicContact CE3-CB 4.33Å; W397-C501 HydrophobicContact CG-CB 3.98Å; W397-C501 HydrophobicContact CH2-CB 4.29Å; W397-C501 HydrophobicContact CZ2-CB 3.69Å; W397-C501 PolarHBondContact O-N 3.03Å; W397-C505 VanDerWaalsContact CD1-CB 3.43Å
398	A	93.9	Very high	90.2	Very high	11 Å²	11	48 Å²	48	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.7	166.1	0	0	0	0	0	110.1	Y353 L356 I499	Y353-A398 HydrophobicContact CD2-CB 4.17Å; Y353-A398 HydrophobicContact CE2-CB 3.97Å; Y353-A398 WeakPolarHBondContact CE2-O 3.19Å; Y353-A398 PolarHBondContact OH-O 2.76Å; L356-A398 HydrophobicContact CB-CB 3.47Å; L356-A398 VanDerWaalsContact CB-CB 3.47Å; L356-A398 HydrophobicContact CD1-CB 4.21Å; L356-A398 HydrophobicContact CG-CB 4.37Å; A398-I499 WeakPolarHBondContact CA-O 3.45Å; A398-I499 WeakPolarHBondContact CB-O 3.45Å
399	K	92.9	Very high	90.1	Very high	27 Å²	27	42.6 Å²	42.6	12%	0.117	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.2	175.5	-72.7	178.7	176.9	-178.3	0	109.7	W397 F401 V498 I499 D509 D511	W397-K399 HydrophobicContact CE3-CB 4.21Å; W397-K399 HydrophobicContact CE3-CD 4.25Å; W397-K399 HydrophobicContact CE3-CG 3.72Å; W397-K399 HydrophobicContact CH2-CD 4.3Å; W397-K399 HydrophobicContact CH2-CG 4.49Å; W397-K399 HydrophobicContact CZ3-CB 3.76Å; W397-K399 HydrophobicContact CZ3-CD 3.88Å; W397-K399 HydrophobicContact CZ3-CG 3.6Å; K399-F401 HydrophobicContact CB-CD2 4.36Å; K399-F401 HydrophobicContact CB-CE2 3.47Å; K399-F401 VanDerWaalsContact CB-CE2 3.47Å; K399-F401 HydrophobicContact CB-CZ 3.63Å; K399-F401 HydrophobicContact CD-CE2 4.39Å; K399-F401 HydrophobicContact CD-CZ 3.73Å; K399-F401 HydrophobicContact CG-CZ 4.29Å; K399-V498 WeakPolarHBondContact O-CA 3.31Å; K399-I499 HydrophobicContact CB-CG1 4.4Å; K399-I499 PolarHBondContact N-O 3.39Å; K399-I499 PolarHBondContact O-N 2.9Å; K399-D509 PolarHBondContact NZ-O 3.35Å; K399-D509 VanDerWaalsContact NZ-O 3.14Å; K399-D511 IonicContact NZ-OD1 2.92Å; K399-D511 PolarHBondContact NZ-OD1 2.7Å
400	S	94.9	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	171.5	59.9	0	0	0	0	110.5	E262 N263 A497	E262-S400 PolarHBondContact N-OG 3Å; N263-S400 VanDerWaalsContact CB-O 3.31Å; N263-S400 WeakPolarHBondContact CB-O 3.28Å; N263-S400 PolarHBondContact N-O 3.15Å; N263-S400 PolarHBondContact ND2-O 2.9Å; N263-S400 VanDerWaalsContact ND2-O 3.08Å; S400-A497 CarbonylContact C-O 3.53Å; S400-A497 VanDerWaalsContact CA-O 3.27Å; S400-A497 WeakPolarHBondContact CA-O 3.3Å
401	F	92.5	Very high	89.8	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145	-173.6	-59.9	-86.5	0	0	0	111.7	N263 V265 K399 L414 A497 I499 L514	N263-F401 HydrophobicContact CB-CD1 3.74Å; N263-F401 HydrophobicContact CB-CE1 3.77Å; N263-F401 WeakPolarHBondContact O-CA 3.28Å; V265-F401 HydrophobicContact CG2-CB 4.08Å; V265-F401 HydrophobicContact CG2-CD1 3.58Å; V265-F401 HydrophobicContact CG2-CE1 4.25Å; V265-F401 HydrophobicContact CG2-CG 3.99Å; K399-F401 HydrophobicContact CB-CD2 4.36Å; K399-F401 HydrophobicContact CB-CE2 3.47Å; K399-F401 VanDerWaalsContact CB-CE2 3.47Å; K399-F401 HydrophobicContact CB-CZ 3.63Å; K399-F401 HydrophobicContact CD-CE2 4.39Å; K399-F401 HydrophobicContact CD-CZ 3.73Å; K399-F401 HydrophobicContact CG-CZ 4.29Å; F401-L414 HydrophobicContact CB-CD1 4.29Å; F401-L414 HydrophobicContact CD2-CD1 3.92Å; F401-L414 HydrophobicContact CD2-CD2 4.24Å; F401-L414 HydrophobicContact CE2-CD2 4.06Å; F401-L414 HydrophobicContact CG-CD1 4.22Å; F401-L414 HydrophobicContact CZ-CD2 4.44Å; F401-A497 PolarHBondContact N-O 2.88Å; F401-A497 PolarHBondContact O-N 2.95Å; F401-I499 HydrophobicContact CE2-CD1 3.78Å; F401-I499 HydrophobicContact CE2-CG1 3.91Å; F401-I499 HydrophobicContact CZ-CD1 4.46Å; F401-L514 HydrophobicContact CE1-CD1 4.41Å; F401-L514 HydrophobicContact CE2-CD1 4.44Å; F401-L514 HydrophobicContact CZ-CD1 3.77Å
402	N	91.7	Very high	89.9	Confident	74 Å²	74	36.4 Å²	36.4	40%	0.396	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.2	153.5	-174	-11.1	0	0	0	108.2	P261 N263 S404	P261-N402 HydrophobicContact CB-CB 4.34Å; P261-N402 HydrophobicContact CG-CB 4.05Å; N263-N402 PolarHBondContact O-N 2.88Å; N402-S404 WeakPolarHBondContact OD1-CB 3.4Å; N402-S404 PolarHBondContact OD1-N 2.99Å; N402-S404 VanDerWaalsContact OD1-N 3.09Å; N402-S404 PolarHBondContact OD1-OG 3.04Å
403	A	89.9	Confident	89.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.			trans	-113.7	20	-177.2	0	0	0	0	0	112.6	E408 E410 L411 A494 A497	A403-E408 WeakPolarHBondContact O-CA 3.39Å; A403-E410 HydrophobicContact CB-CB 4.22Å; A403-L411 HydrophobicContact CB-CB 3.94Å; A403-L411 HydrophobicContact CB-CD1 4.34Å; A403-A494 CarbonylContact C-O 3.43Å; A403-A494 VanDerWaalsContact C-O 3.26Å; A403-A494 WeakPolarHBondContact CA-O 3.42Å; A403-A494 PolarHBondContact N-O 2.82Å; A403-A497 HydrophobicContact CB-CB 4.23Å
404	S	85.1	Confident	89.5	Confident	44 Å²	44	30.9 Å²	30.9	31%	0.308	16%	0.164	S	C	.	.			trans	-87.1	-6.6	-176	63.3	0	0	0	0	115.1	N402 A494	N402-S404 WeakPolarHBondContact OD1-CB 3.4Å; N402-S404 PolarHBondContact OD1-N 2.99Å; N402-S404 VanDerWaalsContact OD1-N 3.09Å; N402-S404 PolarHBondContact OD1-OG 3.04Å; S404-A494 PolarHBondContact N-O 2.84Å; S404-A494 VanDerWaalsContact N-O 3.09Å
405	G	79.2	Confident	89.4	Confident	61 Å²	61	28.7 Å²	28.7	63%	0.629	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-74.9	-170.9	0	0	0	0	0	114.5	R407	G405-R407 PolarHBondContact O-N 2.88Å
406	S	77.7	Confident	89.2	Confident	20 Å²	20	28.8 Å²	28.8	14%	0.14	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	44.8	-168	-52.2	0	0	0	0	113.6	D269 L272 E408 K409 E410	D269-S406 PolarHBondContact OD1-OG 3.44Å; L272-S406 WeakPolarHBondContact CD1-OG 3.33Å; S406-E408 PolarHBondContact O-N 2.93Å; S406-K409 WeakPolarHBondContact O-CD 3.48Å; S406-K409 VanDerWaalsContact O-CG 3.26Å; S406-K409 WeakPolarHBondContact O-CG 3.32Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-E410 WeakPolarHBondContact CA-OE2 3.05Å; S406-E410 WeakPolarHBondContact CB-OE1 3.48Å; S406-E410 VanDerWaalsContact CB-OE2 3.24Å; S406-E410 WeakPolarHBondContact CB-OE2 3.42Å; S406-E410 VanDerWaalsContact N-CD 3.33Å; S406-E410 PolarHBondContact N-OE1 3.03Å; S406-E410 PolarHBondContact N-OE2 2.95Å; S406-E410 VanDerWaalsContact OG-CD 3.31Å; S406-E410 PolarHBondContact OG-OE1 2.89Å
407	R	81.2	Confident	88.7	Confident	187 Å²	187	26.6 Å²	26.6	71%	0.706	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	42.9	-167.8	-57.2	179.2	64.6	-174.7	-1.5	111.4	G405 K409	G405-R407 PolarHBondContact O-N 2.88Å; R407-K409 PolarHBondContact O-N 3.05Å
408	E	90.8	Very high	88.5	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	17.7	173	-45	169.9	147.2	0	0	114.6	A403 S406 E410 L411 I412 Y466 G487 N489 L493 A494	A403-E408 WeakPolarHBondContact O-CA 3.39Å; S406-E408 PolarHBondContact O-N 2.93Å; E408-E410 PolarHBondContact O-N 3.39Å; E408-L411 HydrophobicContact CB-CB 4.27Å; E408-L411 WeakPolarHBondContact O-CB 3.33Å; E408-L411 PolarHBondContact O-N 2.7Å; E408-L411 VanDerWaalsContact O-N 3.16Å; E408-I412 PolarHBondContact O-N 2.7Å; E408-Y466 WeakPolarHBondContact CB-OH 3.47Å; E408-Y466 WeakPolarHBondContact OE2-CE2 2.89Å; E408-Y466 PolarHBondContact OE2-OH 3.47Å; E408-Y466 VanDerWaalsContact OE2-OH 3.12Å; E408-G487 WeakPolarHBondContact OE2-CA 3.46Å; E408-G487 PolarHBondContact OE2-N 3Å; E408-N489 WeakPolarHBondContact OE1-CA 3.39Å; E408-N489 PolarHBondContact OE1-N 3.11Å; E408-L493 WeakPolarHBondContact OE1-CD2 3.44Å; E408-A494 HydrophobicContact CB-CB 4.39Å; E408-A494 HydrophobicContact CG-CB 3.62Å
409	K	87.9	Confident	88.4	Confident	51 Å²	51	25 Å²	25	22%	0.222	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-32.8	173	-69.9	174.1	-165.5	159.2	0	111.8	F276 S406 R407 L411 I412 A413	F276-K409 HydrophobicContact CD2-CB 4.29Å; F276-K409 HydrophobicContact CD2-CD 4.5Å; F276-K409 HydrophobicContact CD2-CG 3.86Å; F276-K409 HydrophobicContact CE2-CG 4.16Å; F276-K409 HydrophobicContact CG-CD 4.42Å; F276-K409 HydrophobicContact CG-CG 4.27Å; S406-K409 WeakPolarHBondContact O-CD 3.48Å; S406-K409 VanDerWaalsContact O-CG 3.26Å; S406-K409 WeakPolarHBondContact O-CG 3.32Å; S406-K409 PolarHBondContact O-N 3.42Å; R407-K409 PolarHBondContact O-N 3.05Å; K409-L411 VanDerWaalsContact C-N 3.3Å; K409-I412 WeakPolarHBondContact O-CB 3.31Å; K409-I412 PolarHBondContact O-N 2.86Å; K409-A413 PolarHBondContact O-N 3.01Å
410	E	87.2	Confident	88.6	Confident	13 Å²	13	23.7 Å²	23.7	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-43.4	173.6	-58.9	93.6	150.9	0	0	110.5	V265 L272 A403 S406 E408 I412 A413 L414	V265-E410 HydrophobicContact CB-CB 3.98Å; V265-E410 HydrophobicContact CB-CG 3.84Å; V265-E410 HydrophobicContact CG1-CB 3.95Å; V265-E410 HydrophobicContact CG1-CG 3.73Å; V265-E410 HydrophobicContact CG2-CB 3.99Å; V265-E410 HydrophobicContact CG2-CG 4.4Å; L272-E410 HydrophobicContact CD1-CG 3.82Å; L272-E410 HydrophobicContact CD2-CG 4.33Å; A403-E410 HydrophobicContact CB-CB 4.22Å; S406-E410 WeakPolarHBondContact CA-OE2 3.05Å; S406-E410 WeakPolarHBondContact CB-OE1 3.48Å; S406-E410 VanDerWaalsContact CB-OE2 3.24Å; S406-E410 WeakPolarHBondContact CB-OE2 3.42Å; S406-E410 VanDerWaalsContact N-CD 3.33Å; S406-E410 PolarHBondContact N-OE1 3.03Å; S406-E410 PolarHBondContact N-OE2 2.95Å; S406-E410 VanDerWaalsContact OG-CD 3.31Å; S406-E410 PolarHBondContact OG-OE1 2.89Å; E408-E410 PolarHBondContact O-N 3.39Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.22Å; E410-A413 WeakPolarHBondContact O-CB 3.25Å; E410-A413 PolarHBondContact O-N 3.33Å; E410-A413 VanDerWaalsContact O-N 3.12Å; E410-L414 WeakPolarHBondContact O-CG 3.22Å; E410-L414 PolarHBondContact O-N 3.14Å
411	L	91.6	Very high	88.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-40.1	177.3	-174	59.8	0	0	0	111.6	A403 E408 K409 L415 V421 V423 L454 L493 A494 A497	A403-L411 HydrophobicContact CB-CB 3.94Å; A403-L411 HydrophobicContact CB-CD1 4.34Å; E408-L411 HydrophobicContact CB-CB 4.27Å; E408-L411 WeakPolarHBondContact O-CB 3.33Å; E408-L411 PolarHBondContact O-N 2.7Å; E408-L411 VanDerWaalsContact O-N 3.16Å; K409-L411 VanDerWaalsContact C-N 3.3Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.47Å; L411-L415 PolarHBondContact O-N 3.01Å; L411-V421 HydrophobicContact CD1-CG1 4.11Å; L411-V423 HydrophobicContact CD1-CG1 3.9Å; L411-L454 HydrophobicContact CD1-CD2 3.66Å; L411-L454 HydrophobicContact CD2-CD2 3.72Å; L411-L454 HydrophobicContact CG-CD2 3.46Å; L411-L454 VanDerWaalsContact CG-CD2 3.46Å; L411-L493 HydrophobicContact CD2-CD1 3.94Å; L411-L493 HydrophobicContact CD2-CG 4.38Å; L411-A494 HydrophobicContact CD2-CB 4.29Å; L411-A497 HydrophobicContact CD1-CB 3.94Å
412	I	91	Very high	89	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-41.2	173.2	-70	-58.3	0	0	0	112.1	F276 V279 E408 K409 E410 L415 V416 Y457 F459 Y466	F276-I412 HydrophobicContact CD2-CG2 4.17Å; F276-I412 HydrophobicContact CE2-CB 4.41Å; F276-I412 HydrophobicContact CE2-CG1 4.31Å; F276-I412 HydrophobicContact CE2-CG2 4.14Å; V279-I412 HydrophobicContact CG1-CG2 4.43Å; V279-I412 HydrophobicContact CG2-CG2 4.06Å; E408-I412 PolarHBondContact O-N 2.7Å; K409-I412 WeakPolarHBondContact O-CB 3.31Å; K409-I412 PolarHBondContact O-N 2.86Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.22Å; I412-L415 HydrophobicContact CD1-CD2 4.34Å; I412-L415 PolarHBondContact O-N 2.9Å; I412-V416 HydrophobicContact CG2-CG2 4.04Å; I412-V416 WeakPolarHBondContact O-CB 3.24Å; I412-V416 WeakPolarHBondContact O-CG2 3.3Å; I412-V416 PolarHBondContact O-N 2.73Å; I412-Y457 HydrophobicContact CD1-CD1 3.37Å; I412-Y457 HydrophobicContact CD1-CD2 4.29Å; I412-Y457 HydrophobicContact CD1-CE1 3.73Å; I412-Y457 HydrophobicContact CD1-CG 3.68Å; I412-Y457 HydrophobicContact CG2-CE1 4.35Å; I412-F459 HydrophobicContact CD1-CE2 4.2Å; I412-F459 HydrophobicContact CD1-CZ 3.65Å; I412-F459 HydrophobicContact CG1-CE2 4.16Å; I412-F459 HydrophobicContact CG1-CZ 3.73Å; I412-Y466 HydrophobicContact CD1-CD1 4.38Å; I412-Y466 HydrophobicContact CD1-CE1 3.56Å; I412-Y466 HydrophobicContact CG1-CE1 4.21Å
413	A	86.6	Confident	89.3	Confident	12 Å²	12	20.1 Å²	20.1	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-45.8	178.7	0	0	0	0	0	111.2	K409 E410 L415 N417 L515	K409-A413 PolarHBondContact O-N 3.01Å; E410-A413 WeakPolarHBondContact O-CB 3.25Å; E410-A413 PolarHBondContact O-N 3.33Å; E410-A413 VanDerWaalsContact O-N 3.12Å; A413-L415 PolarHBondContact O-N 3.41Å; A413-N417 VanDerWaalsContact O-CB 3.24Å; A413-N417 WeakPolarHBondContact O-CB 3.47Å; A413-N417 PolarHBondContact O-N 3.05Å; A413-N417 VanDerWaalsContact O-N 3.1Å; A413-N417 PolarHBondContact O-ND2 2.95Å; A413-N417 VanDerWaalsContact O-ND2 3.13Å; A413-L515 HydrophobicContact CB-CD2 3.44Å; A413-L515 VanDerWaalsContact CB-CD2 3.44Å
414	L	89.5	Confident	89.7	Confident	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-55.8	-51.7	171.6	-63.5	175.5	0	0	0	110.5	F401 E410 V416 W418 V421 A497 I499 L514	F401-L414 HydrophobicContact CB-CD1 4.29Å; F401-L414 HydrophobicContact CD2-CD1 3.92Å; F401-L414 HydrophobicContact CD2-CD2 4.24Å; F401-L414 HydrophobicContact CE2-CD2 4.06Å; F401-L414 HydrophobicContact CG-CD1 4.22Å; F401-L414 HydrophobicContact CZ-CD2 4.44Å; E410-L414 WeakPolarHBondContact O-CG 3.22Å; E410-L414 PolarHBondContact O-N 3.14Å; L414-V416 PolarHBondContact O-N 3.02Å; L414-W418 WeakPolarHBondContact O-CB 3.26Å; L414-W418 PolarHBondContact O-N 2.85Å; L414-V421 HydrophobicContact CB-CG2 4.11Å; L414-A497 HydrophobicContact CD1-CB 4.22Å; L414-I499 HydrophobicContact CD2-CD1 4.18Å; L414-L514 HydrophobicContact CD2-CD1 3.86Å
415	L	92.7	Very high	90.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-45.2	-176.1	-180	66.6	0	0	0	114	W285 L411 I412 A413 G419 V421 L454 Y457	W285-L415 VanDerWaalsContact CZ2-O 3.31Å; W285-L415 WeakPolarHBondContact CZ2-O 3.28Å; W285-L415 PolarHBondContact NE1-O 2.97Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.47Å; L411-L415 PolarHBondContact O-N 3.01Å; I412-L415 HydrophobicContact CD1-CD2 4.34Å; I412-L415 PolarHBondContact O-N 2.9Å; A413-L415 PolarHBondContact O-N 3.41Å; L415-G419 WeakPolarHBondContact CA-O 3.44Å; L415-G419 PolarHBondContact O-N 3.38Å; L415-G419 VanDerWaalsContact O-O 3.11Å; L415-V421 HydrophobicContact CB-CG2 4.19Å; L415-V421 HydrophobicContact CD1-CG2 4.29Å; L415-L454 HydrophobicContact CB-CD2 4.45Å; L415-L454 HydrophobicContact CD1-CD2 4.45Å; L415-L454 HydrophobicContact CD1-CG 4.05Å; L415-L454 WeakPolarHBondContact CD1-O 3.18Å; L415-L454 HydrophobicContact CD2-CD1 4.3Å; L415-L454 HydrophobicContact CD2-CD2 4.05Å; L415-L454 HydrophobicContact CD2-CG 3.93Å; L415-Y457 HydrophobicContact CD2-CD1 3.74Å; L415-Y457 HydrophobicContact CD2-CE1 4.23Å
416	V	90	Very high	90.9	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.024	7%	0.071	C	C	.	.	H	α-helix	trans	-82.4	-33.3	-170.7	170	0	0	0	0	112.2	V279 F283 I412 L414 Y457 S518 A520	V279-V416 HydrophobicContact CB-CG1 4.46Å; V279-V416 HydrophobicContact CG1-CB 4.39Å; V279-V416 HydrophobicContact CG1-CG1 3.93Å; V279-V416 HydrophobicContact CG1-CG2 4.41Å; F283-V416 HydrophobicContact CD1-CG2 4.39Å; I412-V416 HydrophobicContact CG2-CG2 4.04Å; I412-V416 WeakPolarHBondContact O-CB 3.24Å; I412-V416 WeakPolarHBondContact O-CG2 3.3Å; I412-V416 PolarHBondContact O-N 2.73Å; L414-V416 PolarHBondContact O-N 3.02Å; V416-Y457 HydrophobicContact CG2-CE1 3.59Å; V416-S518 WeakPolarHBondContact CG1-OG 3.45Å; V416-S518 PolarHBondContact O-OG 2.91Å; V416-A520 HydrophobicContact CB-CB 4.49Å; V416-A520 HydrophobicContact CG1-CB 3.77Å; V416-A520 VanDerWaalsContact O-CB 3.29Å; V416-A520 WeakPolarHBondContact O-CB 3.48Å; V416-A520 PolarHBondContact O-N 3.44Å; V416-A520 VanDerWaalsContact O-N 3.11Å
417	N	84.4	Confident	91.6	Very high	14 Å²	14	15.3 Å²	15.3	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-91.2	-34.4	-175.4	-62.8	-33	0	0	0	112.4	A413 L514 L515 S517 S518 N519	A413-N417 VanDerWaalsContact O-CB 3.24Å; A413-N417 WeakPolarHBondContact O-CB 3.47Å; A413-N417 PolarHBondContact O-N 3.05Å; A413-N417 VanDerWaalsContact O-N 3.1Å; A413-N417 PolarHBondContact O-ND2 2.95Å; A413-N417 VanDerWaalsContact O-ND2 3.13Å; N417-L514 WeakPolarHBondContact CB-O 3.48Å; N417-L514 PolarHBondContact ND2-O 3.48Å; N417-L515 WeakPolarHBondContact ND2-CA 3.01Å; N417-S517 WeakPolarHBondContact CA-O 3.37Å; N417-S517 WeakPolarHBondContact CB-O 3.13Å; N417-S517 PolarHBondContact OD1-O 3.46Å; N417-S518 WeakPolarHBondContact OD1-CA 3.48Å; N417-S518 WeakPolarHBondContact OD1-CB 3.46Å; N417-N519 WeakPolarHBondContact O-CB 3.19Å; N417-N519 VanDerWaalsContact O-CG 3.23Å; N417-N519 PolarHBondContact O-N 3.38Å; N417-N519 PolarHBondContact O-ND2 3.04Å
418	W	87.3	Confident	91.7	Very high	9 Å²	9	6.6 Å²	6.6	3%	0.034	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-62.4	-174.2	-165	-96	0	0	0	112.6	Q315 V318 W397 L414 I499 A500 C501 L508 L514 N519	Q315-W418 VanDerWaalsContact CD-NE1 3.32Å; Q315-W418 PolarHBondContact NE2-O 3.4Å; V318-W418 WeakPolarHBondContact CG1-O 3.44Å; W397-W418 AromaticContact CH2-CE2 3.99Å; W397-W418 AromaticContact CH2-CH2 3.86Å; W397-W418 HydrophobicContact CH2-CH2 3.86Å; W397-W418 AromaticContact CH2-CZ2 3.65Å; W397-W418 HydrophobicContact CH2-CZ2 3.65Å; W397-W418 HydrophobicContact CH2-CZ3 4.4Å; W397-W418 AromaticContact CZ2-CH2 3.28Å; W397-W418 HydrophobicContact CZ2-CH2 3.28Å; W397-W418 AromaticContact CZ2-CZ2 3.44Å; W397-W418 HydrophobicContact CZ2-CZ2 3.44Å; W397-W418 VanDerWaalsContact CZ2-CZ2 3.44Å; W397-W418 HydrophobicContact CZ2-CZ3 4.01Å; L414-W418 WeakPolarHBondContact O-CB 3.26Å; L414-W418 PolarHBondContact O-N 2.85Å; W418-I499 HydrophobicContact CD2-CD1 4.2Å; W418-I499 HydrophobicContact CG-CD1 4.03Å; W418-A500 PolarHBondContact NE1-O 2.89Å; W418-C501 HydrophobicContact CH2-CB 4Å; W418-C501 VanDerWaalsContact CH2-SG 3.59Å; W418-C501 HydrophobicContact CZ2-CB 3.44Å; W418-C501 VanDerWaalsContact CZ2-CB 3.44Å; W418-C501 VanDerWaalsContact CZ2-SG 3.51Å; W418-L508 HydrophobicContact CH2-CB 4.19Å; W418-L508 HydrophobicContact CH2-CD1 3.59Å; W418-L508 HydrophobicContact CZ3-CB 3.98Å; W418-L508 HydrophobicContact CZ3-CD1 3.56Å; W418-L508 HydrophobicContact CZ3-CG 4.34Å; W418-L514 HydrophobicContact CD2-CD2 3.89Å; W418-L514 HydrophobicContact CE3-CD2 3.37Å; W418-L514 HydrophobicContact CG-CD2 4.38Å; W418-L514 HydrophobicContact CZ3-CD2 3.91Å; W418-N519 PolarHBondContact O-ND2 3.41Å
419	G	92.9	Very high	90.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.			trans	160.3	-173.5	-169.4	0	0	0	0	0	111.3	W285 L415	W285-G419 VanDerWaalsContact NE1-C 3.3Å; L415-G419 WeakPolarHBondContact CA-O 3.44Å; L415-G419 PolarHBondContact O-N 3.38Å; L415-G419 VanDerWaalsContact O-O 3.11Å
420	P	97.1	Very high	90.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.			trans	-52.1	150.1	169.7	-27.8	38.2	0	0	0	112.4	W285 L291 L311 L453 L454 V455	W285-P420 HydrophobicContact CB-CG 4.03Å; W285-P420 HydrophobicContact CD2-CG 4.5Å; W285-P420 HydrophobicContact CG-CG 3.83Å; L291-P420 HydrophobicContact CD2-CB 4.38Å; L291-P420 HydrophobicContact CD2-CG 3.68Å; L311-P420 WeakPolarHBondContact CD1-O 3.18Å; P420-L453 HydrophobicContact CB-CD1 3.88Å; P420-L453 HydrophobicContact CB-CD2 3.79Å; P420-L453 HydrophobicContact CB-CG 3.83Å; P420-L454 WeakPolarHBondContact CA-O 3.47Å; P420-V455 HydrophobicContact CB-CG1 4.36Å
421	V	97.5	Very high	90.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.7	-173.6	-175.7	0	0	0	0	109.1	L411 L414 L415 V423 L454 A497 I499	L411-V421 HydrophobicContact CD1-CG1 4.11Å; L414-V421 HydrophobicContact CB-CG2 4.11Å; L415-V421 HydrophobicContact CB-CG2 4.19Å; L415-V421 HydrophobicContact CD1-CG2 4.29Å; V421-V423 HydrophobicContact CG1-CG1 4.2Å; V421-V423 PolarHBondContact O-N 3.02Å; V421-L454 HydrophobicContact CB-CB 4.37Å; V421-L454 PolarHBondContact N-O 3.33Å; V421-L454 WeakPolarHBondContact O-CB 3.46Å; V421-L454 PolarHBondContact O-N 3.01Å; V421-A497 HydrophobicContact CG1-CB 3.8Å; V421-I499 HydrophobicContact CB-CG2 4.38Å; V421-I499 HydrophobicContact CG1-CG2 4.01Å; V421-I499 HydrophobicContact CG2-CG2 3.92Å
422	I	98.6	Very high	91	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.4	169.4	-63.6	168.9	0	0	0	107.7	A307 L311 P352 L356 A451 V452 L453 A497 V498	A307-I422 HydrophobicContact CB-CD1 4.16Å; A307-I422 HydrophobicContact CB-CG1 4.09Å; A307-I422 HydrophobicContact CB-CG2 4.08Å; A307-I422 VanDerWaalsContact O-CD1 3.3Å; A307-I422 WeakPolarHBondContact O-CD1 3.23Å; L311-I422 HydrophobicContact CB-CD1 3.74Å; L311-I422 HydrophobicContact CB-CG1 3.86Å; L311-I422 HydrophobicContact CD2-CD1 3.49Å; L311-I422 VanDerWaalsContact CD2-CD1 3.49Å; L311-I422 HydrophobicContact CD2-CG1 3.76Å; L311-I422 HydrophobicContact CG-CD1 4.22Å; L311-I422 HydrophobicContact CG-CG1 4.3Å; P352-I422 HydrophobicContact CB-CD1 3.91Å; P352-I422 HydrophobicContact CB-CG2 4.1Å; P352-I422 HydrophobicContact CG-CG2 4.15Å; L356-I422 HydrophobicContact CD1-CD1 4.38Å; I422-A451 HydrophobicContact CG2-CB 4.46Å; I422-V452 WeakPolarHBondContact CA-O 3.26Å; I422-L453 HydrophobicContact CG1-CD1 3.92Å; I422-A497 CarbonylContact O-C 3.07Å; I422-A497 WeakPolarHBondContact O-CA 3.46Å; I422-V498 HydrophobicContact CB-CB 4.16Å; I422-V498 PolarHBondContact N-O 2.82Å; I422-V498 PolarHBondContact O-N 2.95Å
423	V	98.1	Very high	91.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	161.4	174.1	-63.6	0	0	0	0	109.9	L411 V421 V452 L454 I468 L493	L411-V423 HydrophobicContact CD1-CG1 3.9Å; V421-V423 HydrophobicContact CG1-CG1 4.2Å; V421-V423 PolarHBondContact O-N 3.02Å; V423-V452 HydrophobicContact CG2-CG2 3.66Å; V423-V452 PolarHBondContact N-O 2.7Å; V423-V452 PolarHBondContact O-N 2.89Å; V423-V452 VanDerWaalsContact O-O 3.12Å; V423-L454 HydrophobicContact CG1-CB 3.97Å; V423-L454 HydrophobicContact CG1-CD2 4.36Å; V423-L454 HydrophobicContact CG2-CB 4.06Å; V423-I468 HydrophobicContact CG2-CD1 4.27Å; V423-L493 WeakPolarHBondContact CB-O 3.45Å; V423-L493 HydrophobicContact CG2-CB 4.44Å
424	T	97.3	Very high	91.7	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.9	-177.2	63.8	0	0	0	0	110.7	L256 L258 H450 G492 L493 Y496	L256-T424 HydrophobicContact CD1-CG2 4.03Å; L256-T424 VanDerWaalsContact CD2-CB 3.41Å; L256-T424 HydrophobicContact CD2-CG2 3.33Å; L256-T424 HydrophobicContact CG-CG2 4.31Å; L258-T424 HydrophobicContact CD2-CG2 4.4Å; T424-H450 CarbonylContact C-O 3.57Å; T424-H450 WeakPolarHBondContact CA-O 3.46Å; T424-G492 CarbonylContact O-C 3.54Å; T424-L493 VanDerWaalsContact O-CA 3.26Å; T424-L493 WeakPolarHBondContact O-CA 3.34Å; T424-Y496 HydrophobicContact CG2-CD1 3.68Å; T424-Y496 HydrophobicContact CG2-CG 4.21Å
425	I	96.5	Very high	92	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.9	-179.2	65.1	170.7	0	0	0	111.6	L431 P448 E449 H450 V452 M482 L484 C491 L493	I425-L431 HydrophobicContact CD1-CD2 4.22Å; I425-P448 WeakPolarHBondContact O-CA 3.24Å; I425-E449 PolarHBondContact O-N 2.79Å; I425-H450 HydrophobicContact CG1-CB 4.17Å; I425-H450 PolarHBondContact N-O 3.26Å; I425-H450 PolarHBondContact O-N 2.75Å; I425-V452 HydrophobicContact CD1-CG1 4Å; I425-V452 HydrophobicContact CD1-CG2 4.19Å; I425-V452 HydrophobicContact CG1-CG1 4.27Å; I425-V452 HydrophobicContact CG1-CG2 4.16Å; I425-V452 HydrophobicContact CG2-CG2 3.95Å; I425-M482 HydrophobicContact CD1-CE 3.76Å; I425-M482 HydrophobicContact CD1-SD 3.89Å; I425-L484 HydrophobicContact CG2-CD1 3.9Å; I425-C491 CarbonylContact C-O 3.49Å; I425-C491 WeakPolarHBondContact CA-O 3.37Å; I425-C491 HydrophobicContact CB-CB 4.11Å; I425-C491 HydrophobicContact CG2-CB 4.49Å; I425-L493 HydrophobicContact CG2-CB 3.95Å
426	N	93.4	Very high	92.2	Very high	14 Å²	14	12.1 Å²	12.1	8%	0.075	6%	0.061	C	C	.	.			trans	-70.3	144.7	161.3	170.6	-103.7	0	0	0	109.8	P428 G445 V447 E449 C491	N426-P428 VanDerWaalsContact O-CD 3.23Å; N426-P428 WeakPolarHBondContact O-CD 3.49Å; N426-G445 WeakPolarHBondContact OD1-CA 3.25Å; N426-G445 PolarHBondContact OD1-N 3.47Å; N426-V447 WeakPolarHBondContact CB-O 3.32Å; N426-V447 PolarHBondContact ND2-O 3.12Å; N426-E449 PolarHBondContact ND2-OE1 3.17Å; N426-C491 HydrophobicContact CB-CB 4.38Å; N426-C491 PolarHBondContact N-O 3.48Å
427	V	91.2	Very high	92.5	Very high	8 Å²	8	12.4 Å²	12.4	5%	0.048	7%	0.065	C	C	.	.			trans	-105.7	94.3	174.2	176.9	0	0	0	0	108.2	F249 T254 L431 E449 H450 W472	F249-V427 HydrophobicContact CD1-CG1 4.3Å; F249-V427 HydrophobicContact CE1-CG1 3.89Å; T254-V427 HydrophobicContact CG2-CB 4.13Å; T254-V427 HydrophobicContact CG2-CG1 4.32Å; T254-V427 HydrophobicContact CG2-CG2 3.81Å; V427-L431 HydrophobicContact CB-CD2 4.46Å; V427-L431 HydrophobicContact CG1-CB 4.23Å; V427-L431 HydrophobicContact CG1-CD2 4.24Å; V427-L431 HydrophobicContact CG2-CD2 4.29Å; V427-E449 HydrophobicContact CB-CG 4.18Å; V427-E449 HydrophobicContact CG2-CG 4.14Å; V427-E449 PolarHBondContact N-OE1 2.76Å; V427-H450 HydrophobicContact CG2-CB 3.41Å; V427-H450 VanDerWaalsContact CG2-CB 3.41Å; V427-W472 HydrophobicContact CG1-CH2 3.91Å; V427-W472 HydrophobicContact CG1-CZ2 4.48Å; V427-W472 HydrophobicContact CG2-CH2 4.05Å; V427-W472 HydrophobicContact CG2-CZ2 4.25Å
428	P	83.6	Confident	93	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.032	6%	0.062	C	C	.	.			trans	-69.4	158	175.2	30.2	-35.6	0	0	0	110.5	N426 W430 L431 Q443	N426-P428 VanDerWaalsContact O-CD 3.23Å; N426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-W430 HydrophobicContact CB-CD2 4.08Å; P428-W430 HydrophobicContact CB-CE3 4.43Å; P428-W430 HydrophobicContact CB-CH2 4.18Å; P428-W430 HydrophobicContact CB-CZ2 3.77Å; P428-W430 HydrophobicContact CB-CZ3 4.48Å; P428-W430 HydrophobicContact CG-CZ2 4.45Å; P428-W430 PolarHBondContact O-N 3.42Å; P428-L431 HydrophobicContact CG-CB 4.04Å; P428-L431 VanDerWaalsContact O-CB 3.32Å; P428-L431 WeakPolarHBondContact O-CB 3.48Å; P428-L431 PolarHBondContact O-N 3.37Å; P428-Q443 WeakPolarHBondContact CB-O 3.41Å; P428-Q443 WeakPolarHBondContact CG-O 3.17Å
429	D	75.6	Confident	93.2	Very high	52 Å²	52	11.5 Å²	11.5	28%	0.278	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.2	-168.4	-42.8	-16	0	0	0	115.9	R218 E246	R218-D429 VanDerWaalsContact NH2-CB 3.34Å; E246-D429 HydrophobicContact CG-CB 3.7Å; E246-D429 VanDerWaalsContact OE1-CG 3.3Å; E246-D429 VanDerWaalsContact OE2-CB 3.3Å; E246-D429 WeakPolarHBondContact OE2-CB 3.49Å; E246-D429 VanDerWaalsContact OE2-CG 3.3Å
430	W	81	Confident	92.9	Very high	33 Å²	33	12.7 Å²	12.7	13%	0.125	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-8.2	-179.7	46.9	84.3	0	0	0	113.9	F222 F236 P428 Q432 F433 Q443	F222-W430 HydrophobicContact CD1-CB 4.14Å; F222-W430 AromaticContact CD1-CD2 3.95Å; F222-W430 HydrophobicContact CD1-CD2 3.95Å; F222-W430 HydrophobicContact CD1-CE3 4.01Å; F222-W430 HydrophobicContact CD1-CG 4.08Å; F222-W430 HydrophobicContact CD2-CB 3.57Å; F222-W430 HydrophobicContact CD2-CG 4.37Å; F222-W430 HydrophobicContact CE1-CB 4.2Å; F222-W430 AromaticContact CE1-CD2 3.58Å; F222-W430 HydrophobicContact CE1-CD2 3.58Å; F222-W430 AromaticContact CE1-CE3 3.15Å; F222-W430 HydrophobicContact CE1-CE3 3.15Å; F222-W430 HydrophobicContact CE1-CG 4.09Å; F222-W430 HydrophobicContact CE1-CH2 4.43Å; F222-W430 AromaticContact CE1-CZ3 3.66Å; F222-W430 HydrophobicContact CE1-CZ3 3.66Å; F222-W430 HydrophobicContact CE2-CB 3.64Å; F222-W430 HydrophobicContact CE2-CD2 4.47Å; F222-W430 HydrophobicContact CE2-CE3 4.08Å; F222-W430 HydrophobicContact CE2-CG 4.39Å; F222-W430 HydrophobicContact CG-CB 3.87Å; F222-W430 HydrophobicContact CG-CG 4.25Å; F222-W430 HydrophobicContact CZ-CB 3.97Å; F222-W430 AromaticContact CZ-CD2 3.89Å; F222-W430 HydrophobicContact CZ-CD2 3.89Å; F222-W430 AromaticContact CZ-CE3 3.22Å; F222-W430 HydrophobicContact CZ-CE3 3.22Å; F222-W430 HydrophobicContact CZ-CG 4.26Å; F222-W430 AromaticContact CZ-CZ3 3.92Å; F222-W430 HydrophobicContact CZ-CZ3 3.92Å; F236-W430 HydrophobicContact CD1-CB 4.34Å; F236-W430 HydrophobicContact CE1-CB 4.11Å; F236-W430 AromaticContact CE1-CD1 3.48Å; F236-W430 VanDerWaalsContact CE1-CD1 3.48Å; F236-W430 HydrophobicContact CE1-CG 4.12Å; F236-W430 AromaticContact CZ-CD1 3.52Å; F236-W430 HydrophobicContact CZ-CG 4.26Å; P428-W430 HydrophobicContact CB-CD2 4.08Å; P428-W430 HydrophobicContact CB-CE3 4.43Å; P428-W430 HydrophobicContact CB-CH2 4.18Å; P428-W430 HydrophobicContact CB-CZ2 3.77Å; P428-W430 HydrophobicContact CB-CZ3 4.48Å; P428-W430 HydrophobicContact CG-CZ2 4.45Å; P428-W430 PolarHBondContact O-N 3.42Å; W430-Q432 PolarHBondContact O-N 2.93Å; W430-F433 HydrophobicContact CB-CD2 4.42Å; W430-F433 PolarHBondContact O-N 3.48Å; W430-Q443 HydrophobicContact CZ2-CB 4.02Å; W430-Q443 WeakPolarHBondContact CZ2-O 3.33Å; W430-Q443 PolarHBondContact NE1-O 3.39Å
431	L	92.3	Very high	92.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-62.3	-28.1	-175.8	-166.8	61.7	0	0	0	111.4	I425 V427 P428 F433 Y434 L439 W472 W476 M482	I425-L431 HydrophobicContact CD1-CD2 4.22Å; V427-L431 HydrophobicContact CB-CD2 4.46Å; V427-L431 HydrophobicContact CG1-CB 4.23Å; V427-L431 HydrophobicContact CG1-CD2 4.24Å; V427-L431 HydrophobicContact CG2-CD2 4.29Å; P428-L431 HydrophobicContact CG-CB 4.04Å; P428-L431 VanDerWaalsContact O-CB 3.32Å; P428-L431 WeakPolarHBondContact O-CB 3.48Å; P428-L431 PolarHBondContact O-N 3.37Å; L431-F433 PolarHBondContact O-N 2.97Å; L431-F433 VanDerWaalsContact O-N 3.08Å; L431-Y434 WeakPolarHBondContact O-CB 3.39Å; L431-Y434 PolarHBondContact O-N 3.22Å; L431-Y434 VanDerWaalsContact O-N 3.1Å; L431-L439 HydrophobicContact CD1-CD2 3.99Å; L431-W472 HydrophobicContact CD2-CH2 3.89Å; L431-W472 HydrophobicContact CD2-CZ3 4.04Å; L431-W472 HydrophobicContact CG-CH2 4.22Å; L431-W472 HydrophobicContact CG-CZ3 3.92Å; L431-W476 HydrophobicContact CD1-CZ2 4.1Å; L431-W476 HydrophobicContact CG-CZ2 4.06Å; L431-W476 WeakPolarHBondContact O-CZ2 3.46Å; L431-W476 PolarHBondContact O-NE1 2.55Å; L431-M482 HydrophobicContact CD1-CE 4.28Å; L431-M482 HydrophobicContact CD1-SD 4.5Å
432	Q	94.3	Very high	91.6	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.4	173	76.9	-178	78.2	0	0	113.2	T239 Y241 L244 F249 W430	T239-Q432 WeakPolarHBondContact CB-O 3.22Å; T239-Q432 WeakPolarHBondContact CG2-O 3.21Å; T239-Q432 PolarHBondContact OG1-O 2.62Å; Y241-Q432 PolarHBondContact O-NE2 2.98Å; L244-Q432 PolarHBondContact O-NE2 3.44Å; F249-Q432 HydrophobicContact CB-CB 4.48Å; F249-Q432 HydrophobicContact CD1-CB 3.61Å; F249-Q432 HydrophobicContact CD2-CB 3.67Å; F249-Q432 HydrophobicContact CE1-CB 3.61Å; F249-Q432 HydrophobicContact CE2-CB 3.68Å; F249-Q432 HydrophobicContact CG-CB 3.62Å; F249-Q432 HydrophobicContact CG-CG 4.46Å; F249-Q432 HydrophobicContact CZ-CB 3.65Å; W430-Q432 PolarHBondContact O-N 2.93Å
433	F	95.1	Very high	90.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-102.5	2.1	-179.2	-45.9	-60.9	0	0	0	114	N215 R218 I219 F236 G237 W430 L431 K435	N215-F433 HydrophobicContact CB-CE1 3.72Å; N215-F433 HydrophobicContact CB-CZ 3.66Å; N215-F433 WeakPolarHBondContact OD1-CZ 3.46Å; R218-F433 HydrophobicContact CB-CE2 4.41Å; I219-F433 HydrophobicContact CD1-CB 4.22Å; I219-F433 HydrophobicContact CD1-CD1 3.83Å; I219-F433 HydrophobicContact CD1-CE1 4.46Å; I219-F433 HydrophobicContact CD1-CG 4.02Å; I219-F433 HydrophobicContact CG1-CB 3.78Å; I219-F433 HydrophobicContact CG1-CD1 4Å; I219-F433 HydrophobicContact CG1-CD2 4.05Å; I219-F433 HydrophobicContact CG1-CG 3.66Å; F236-F433 CarbonylContact C-O 3.52Å; F236-F433 VanDerWaalsContact CA-O 3.24Å; F236-F433 WeakPolarHBondContact CA-O 3.38Å; F236-F433 HydrophobicContact CB-CB 4.15Å; F236-F433 HydrophobicContact CD1-CB 4.27Å; G237-F433 PolarHBondContact N-O 3.02Å; W430-F433 HydrophobicContact CB-CD2 4.42Å; W430-F433 PolarHBondContact O-N 3.48Å; L431-F433 PolarHBondContact O-N 2.97Å; L431-F433 VanDerWaalsContact O-N 3.08Å; F433-K435 PolarHBondContact O-N 3.47Å
434	Y	96.9	Very high	90	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.9	-176.6	171.7	-92.2	0	0	0	111.9	A234 L431 T436 G437 W476 G477 M482 R483	A234-Y434 HydrophobicContact CB-CD2 4.43Å; A234-Y434 HydrophobicContact CB-CE2 4.41Å; L431-Y434 WeakPolarHBondContact O-CB 3.39Å; L431-Y434 PolarHBondContact O-N 3.22Å; L431-Y434 VanDerWaalsContact O-N 3.1Å; Y434-T436 VanDerWaalsContact CE2-O 3.31Å; Y434-T436 WeakPolarHBondContact CE2-O 3.26Å; Y434-G437 WeakPolarHBondContact CE2-O 3.43Å; Y434-G437 PolarHBondContact OH-O 3.46Å; Y434-W476 AromaticContact CD1-CH2 3.88Å; Y434-W476 HydrophobicContact CD1-CH2 3.88Å; Y434-W476 AromaticContact CD1-CZ2 3.8Å; Y434-W476 HydrophobicContact CD1-CZ2 3.8Å; Y434-W476 HydrophobicContact CD1-CZ3 4.39Å; Y434-W476 HydrophobicContact CG-CZ2 4.21Å; Y434-G477 VanDerWaalsContact CD1-CA 3.5Å; Y434-G477 WeakPolarHBondContact O-CA 3.25Å; Y434-G477 PolarHBondContact O-N 3.17Å; Y434-G477 VanDerWaalsContact O-N 3.12Å; Y434-M482 HydrophobicContact CD1-CB 4.05Å; Y434-M482 HydrophobicContact CE1-CB 3.56Å; Y434-R483 PolarHBondContact OH-N 3.03Å
435	K	97.2	Very high	88.8	Confident	60 Å²	60	22.4 Å²	22.4	26%	0.261	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-40.1	178.1	-72.1	-55.5	-58	147.9	0	114.2	K235 T239 F433 D475 G477 E478	K235-K435 PolarHBondContact O-N 3.41Å; T239-K435 HydrophobicContact CG2-CD 3.86Å; F433-K435 PolarHBondContact O-N 3.47Å; K435-D475 PolarHBondContact NZ-O 2.9Å; K435-G477 PolarHBondContact NZ-O 3.33Å; K435-G477 CarbonylContact O-C 3.59Å; K435-E478 PolarHBondContact O-N 3.35Å
436	T	96.6	Very high	87.5	Confident	52 Å²	52	32.2 Å²	32.2	32%	0.319	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	176.2	-177.3	-177.8	0	0	0	0	110.2	A234 K235 Y434 E478	A234-T436 CarbonylContact C-O 3.54Å; A234-T436 WeakPolarHBondContact CA-O 3.34Å; K235-T436 HydrophobicContact CB-CG2 3.81Å; K235-T436 HydrophobicContact CD-CG2 3.89Å; K235-T436 HydrophobicContact CG-CG2 4.15Å; K235-T436 PolarHBondContact N-O 3.27Å; K235-T436 PolarHBondContact O-N 3.48Å; Y434-T436 VanDerWaalsContact CE2-O 3.31Å; Y434-T436 WeakPolarHBondContact CE2-O 3.26Å; T436-E478 WeakPolarHBondContact CA-OE1 3.44Å; T436-E478 WeakPolarHBondContact CB-OE1 3.16Å; T436-E478 PolarHBondContact OG1-OE1 3.28Å
437	G	95.4	Very high	87.1	Confident	10 Å²	10	36.1 Å²	36.1	10%	0.103	20%	0.199	C	C	.	.	S	Bend	trans	85	176.7	178.2	0	0	0	0	0	112.2	Y434 E478	Y434-G437 WeakPolarHBondContact CE2-O 3.43Å; Y434-G437 PolarHBondContact OH-O 3.46Å; G437-E478 PolarHBondContact N-OE1 2.96Å
438	V	94.8	Very high	87.3	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.4	-175.8	-173.7	0	0	0	0	109.4	Q232 A234 T463 Y465 R483 E485	Q232-V438 HydrophobicContact CB-CG2 4.32Å; Q232-V438 PolarHBondContact O-N 3.32Å; A234-V438 PolarHBondContact N-O 2.78Å; V438-T463 HydrophobicContact CB-CG2 4.21Å; V438-T463 HydrophobicContact CG1-CG2 3.77Å; V438-Y465 HydrophobicContact CG2-CD1 3.88Å; V438-Y465 HydrophobicContact CG2-CG 4.1Å; V438-R483 HydrophobicContact CG2-CB 4.16Å; V438-E485 HydrophobicContact CG1-CB 4.05Å
439	L	92.4	Very high	87.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.7	171.1	-170.4	77.4	0	0	0	109.1	A234 F236 L431 Q443 R483 L484 E485	A234-L439 HydrophobicContact CB-CB 4.48Å; A234-L439 HydrophobicContact CB-CD1 4.13Å; F236-L439 HydrophobicContact CZ-CD1 4.18Å; L431-L439 HydrophobicContact CD1-CD2 3.99Å; L439-Q443 HydrophobicContact CD1-CB 3.76Å; L439-Q443 HydrophobicContact CG-CB 4.25Å; L439-R483 PolarHBondContact N-O 3.41Å; L439-L484 HydrophobicContact CB-CD2 3.85Å; L439-L484 HydrophobicContact CD2-CD2 3.75Å; L439-L484 HydrophobicContact CG-CD2 4.31Å; L439-E485 PolarHBondContact O-N 2.93Å
440	Q	86.9	Confident	88.8	Confident	26 Å²	26	36.7 Å²	36.7	12%	0.121	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-94.7	159.5	-175.8	-62.4	-176.3	10.9	0	0	112.3	S442 Q443 E485	Q440-S442 PolarHBondContact O-N 3.42Å; Q440-S442 VanDerWaalsContact O-N 3.17Å; Q440-Q443 WeakPolarHBondContact O-CA 3.19Å; Q440-Q443 WeakPolarHBondContact O-CB 3.47Å; Q440-Q443 PolarHBondContact O-N 3.49Å; Q440-E485 WeakPolarHBondContact CA-OE2 3.49Å
441	Q	86.2	Confident	89.6	Confident	64 Å²	64	35.1 Å²	35.1	30%	0.299	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-59.5	-30.3	179.7	178.3	62.4	-34.8	0	0	113.5	Q443 C444 E485 R488 N489	Q441-Q443 PolarHBondContact O-N 2.01Å; Q441-C444 PolarHBondContact O-N 2.82Å; Q441-E485 PolarHBondContact N-OE2 3.39Å; Q441-R488 HydrophobicContact CB-CB 4.09Å; Q441-R488 HydrophobicContact CG-CB 4.45Å; Q441-R488 PolarHBondContact NE2-O 3.25Å; Q441-N489 PolarHBondContact NE2-O 3.17Å; Q441-N489 PolarHBondContact OE1-O 3.39Å
442	S	80.2	Confident	89.9	Confident	77 Å²	77	35.2 Å²	35.2	54%	0.538	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67.5	-12.5	175.6	63.1	0	0	0	0	113.8	Q440	Q440-S442 PolarHBondContact O-N 3.42Å; Q440-S442 VanDerWaalsContact O-N 3.17Å
443	Q	80.4	Confident	90.1	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-105.2	17.6	179.6	-55.5	173.6	-66.1	0	0	112	S226 P428 W430 L439 Q440 Q441	S226-Q443 PolarHBondContact OG-NE2 3.14Å; P428-Q443 WeakPolarHBondContact CB-O 3.41Å; P428-Q443 WeakPolarHBondContact CG-O 3.17Å; W430-Q443 HydrophobicContact CZ2-CB 4.02Å; W430-Q443 WeakPolarHBondContact CZ2-O 3.33Å; W430-Q443 PolarHBondContact NE1-O 3.39Å; L439-Q443 HydrophobicContact CD1-CB 3.76Å; L439-Q443 HydrophobicContact CG-CB 4.25Å; Q440-Q443 WeakPolarHBondContact O-CA 3.19Å; Q440-Q443 WeakPolarHBondContact O-CB 3.47Å; Q440-Q443 PolarHBondContact O-N 3.49Å; Q441-Q443 PolarHBondContact O-N 2.01Å
444	C	82.1	Confident	90.3	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.162	20%	0.196	C	C	.	.			trans	-116.9	148.4	179.1	-63.4	0	0	0	0	111.2	Q441 C491	Q441-C444 PolarHBondContact O-N 2.82Å; C444-C491 HydrophobicContact CB-CB 3.8Å; C444-C491 WeakPolarHBondContact CB-SG 3.28Å; C444-C491 WeakPolarHBondContact SG-CA 3.22Å; C444-C491 WeakPolarHBondContact SG-CB 3.41Å; C444-C491 PolarHBondContact SG-N 3.48Å; C444-C491 CovalentContact SG-SG 2.04Å; C444-C491 PolarHBondContact SG-SG 2.89Å
445	G	73.8	Confident	90.4	Very high	35 Å²	35	35.3 Å²	35.3	36%	0.361	20%	0.196	S	C	.	.			trans	-79.6	-172	163.8	0	0	0	0	0	112.2	N426	N426-G445 WeakPolarHBondContact OD1-CA 3.25Å; N426-G445 PolarHBondContact OD1-N 3.47Å
446	K	68.1	Low	90.4	Very high	205 Å²	205	32.4 Å²	32.4	89%	0.891	18%	0.184	S	C	*	.	S	Bend	trans	-98.5	-30.8	-168	-66.6	-174.6	-179.3	179.3	0	115.6
447	V	85.7	Confident	90.5	Very high	96 Å²	96	30 Å²	30	58%	0.582	17%	0.169	S	C	*	.	S	Bend	trans	-110.3	120.4	-171.3	-175.6	0	0	0	0	109.7	L258 N426	L258-V447 HydrophobicContact CD1-CG1 4.02Å; N426-V447 WeakPolarHBondContact CB-O 3.32Å; N426-V447 PolarHBondContact ND2-O 3.12Å
448	P	93.7	Very high	90.5	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.136	17%	0.171	C	C	.	.			trans	-65.2	132	171.5	-22.3	33.3	0	0	0	112.6	L256 L258 I425	L256-P448 HydrophobicContact CD2-CB 4.4Å; L258-P448 VanDerWaalsContact CD1-O 3.25Å; L258-P448 WeakPolarHBondContact CD1-O 3.23Å; L258-P448 HydrophobicContact CD2-CB 4.24Å; I425-P448 WeakPolarHBondContact O-CA 3.24Å
449	E	94.4	Very high	90.5	Very high	57 Å²	57	33 Å²	33	27%	0.266	18%	0.18	S	C	.	.			trans	-135.1	0.3	-177.1	69.5	-160.4	123.6	0	0	112.7	T254 G255 L256 I425 N426 V427	T254-E449 WeakPolarHBondContact CB-O 3.18Å; T254-E449 HydrophobicContact CG2-CG 4.08Å; G255-E449 PolarHBondContact N-O 3.33Å; L256-E449 WeakPolarHBondContact CB-O 3.38Å; L256-E449 PolarHBondContact N-O 2.85Å; I425-E449 PolarHBondContact O-N 2.79Å; N426-E449 PolarHBondContact ND2-OE1 3.17Å; V427-E449 HydrophobicContact CB-CG 4.18Å; V427-E449 HydrophobicContact CG2-CG 4.14Å; V427-E449 PolarHBondContact N-OE1 2.76Å
450	H	97.5	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.5	-177.9	-170.1	54.8	0	0	0	111.8	Q297 C303 T424 I425 V427 V452 N470 W472	Q297-H450 PolarHBondContact OE1-CE1 3.19Å; C303-H450 WeakPolarHBondContact CB-CE1 3.36Å; C303-H450 WeakPolarHBondContact CB-ND1 3.06Å; T424-H450 CarbonylContact C-O 3.57Å; T424-H450 WeakPolarHBondContact CA-O 3.46Å; I425-H450 HydrophobicContact CG1-CB 4.17Å; I425-H450 PolarHBondContact N-O 3.26Å; I425-H450 PolarHBondContact O-N 2.75Å; V427-H450 HydrophobicContact CG2-CB 3.41Å; V427-H450 VanDerWaalsContact CG2-CB 3.41Å; H450-V452 WeakPolarHBondContact CD2-CG1 2.92Å; H450-N470 PolarHBondContact NE2-OD1 2.87Å; H450-W472 AromaticContact CD2-CZ2 3.8Å; H450-W472 AromaticContact CE1-CE2 3.82Å; H450-W472 AromaticContact CE1-CZ2 3.82Å; H450-W472 AromaticContact CE1-NE1 3.53Å; H450-W472 AromaticContact NE2-CE2 3.66Å; H450-W472 AromaticContact NE2-CZ2 3.57Å; H450-W472 AromaticContact NE2-NE1 3.76Å
451	A	98.4	Very high	90.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.2	178	0	0	0	0	0	110	L256 C303 A307 P352 I422	L256-A451 HydrophobicContact CD1-CB 4.25Å; C303-A451 HydrophobicContact CB-CB 4.43Å; A307-A451 HydrophobicContact CB-CB 3.95Å; P352-A451 HydrophobicContact CG-CB 4.03Å; I422-A451 HydrophobicContact CG2-CB 4.46Å
452	V	98.7	Very high	91.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.1	-177.5	-65.6	0	0	0	0	110.2	I422 V423 I425 H450 I468	I422-V452 WeakPolarHBondContact CA-O 3.26Å; V423-V452 HydrophobicContact CG2-CG2 3.66Å; V423-V452 PolarHBondContact N-O 2.7Å; V423-V452 PolarHBondContact O-N 2.89Å; V423-V452 VanDerWaalsContact O-O 3.12Å; I425-V452 HydrophobicContact CD1-CG1 4Å; I425-V452 HydrophobicContact CD1-CG2 4.19Å; I425-V452 HydrophobicContact CG1-CG1 4.27Å; I425-V452 HydrophobicContact CG1-CG2 4.16Å; I425-V452 HydrophobicContact CG2-CG2 3.95Å; H450-V452 WeakPolarHBondContact CD2-CG1 2.92Å; V452-I468 HydrophobicContact CB-CG2 3.49Å; V452-I468 VanDerWaalsContact CB-CG2 3.49Å; V452-I468 HydrophobicContact CG1-CG2 4.17Å; V452-I468 HydrophobicContact CG2-CG2 3.34Å
453	L	98.6	Very high	91.7	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.4	-179.7	-166.2	74.3	0	0	0	110.4	L291 D310 L311 P420 I422 V455 I468 K469	L291-L453 HydrophobicContact CD2-CD2 4.17Å; D310-L453 HydrophobicContact CB-CD2 4.27Å; L311-L453 HydrophobicContact CB-CD1 4.07Å; L311-L453 HydrophobicContact CD1-CD1 4.16Å; P420-L453 HydrophobicContact CB-CD1 3.88Å; P420-L453 HydrophobicContact CB-CD2 3.79Å; P420-L453 HydrophobicContact CB-CG 3.83Å; I422-L453 HydrophobicContact CG1-CD1 3.92Å; L453-V455 HydrophobicContact CB-CG1 4.29Å; L453-V455 HydrophobicContact CD2-CG1 3.75Å; L453-V455 HydrophobicContact CG-CG1 3.84Å; L453-I468 CarbonylContact O-C 3.55Å; L453-I468 WeakPolarHBondContact O-CA 3.17Å; L453-K469 HydrophobicContact CB-CB 4.22Å; L453-K469 PolarHBondContact N-O 3.02Å; L453-K469 VanDerWaalsContact N-O 3.1Å; L453-K469 PolarHBondContact O-N 3.32Å
454	L	98.7	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.2	167.2	173.2	66.1	0	0	0	109.1	L411 L415 P420 V421 V423 G456 Y466 I468	L411-L454 HydrophobicContact CD1-CD2 3.66Å; L411-L454 HydrophobicContact CD2-CD2 3.72Å; L411-L454 HydrophobicContact CG-CD2 3.46Å; L411-L454 VanDerWaalsContact CG-CD2 3.46Å; L415-L454 HydrophobicContact CB-CD2 4.45Å; L415-L454 HydrophobicContact CD1-CD2 4.45Å; L415-L454 HydrophobicContact CD1-CG 4.05Å; L415-L454 WeakPolarHBondContact CD1-O 3.18Å; L415-L454 HydrophobicContact CD2-CD1 4.3Å; L415-L454 HydrophobicContact CD2-CD2 4.05Å; L415-L454 HydrophobicContact CD2-CG 3.93Å; P420-L454 WeakPolarHBondContact CA-O 3.47Å; V421-L454 HydrophobicContact CB-CB 4.37Å; V421-L454 PolarHBondContact N-O 3.33Å; V421-L454 WeakPolarHBondContact O-CB 3.46Å; V421-L454 PolarHBondContact O-N 3.01Å; V423-L454 HydrophobicContact CG1-CB 3.97Å; V423-L454 HydrophobicContact CG1-CD2 4.36Å; V423-L454 HydrophobicContact CG2-CB 4.06Å; L454-G456 WeakPolarHBondContact CD1-O 3.45Å; L454-Y466 HydrophobicContact CD1-CD1 3.66Å; L454-Y466 HydrophobicContact CD1-CG 3.92Å; L454-Y466 HydrophobicContact CD2-CD1 4.5Å; L454-I468 HydrophobicContact CB-CD1 4.09Å; L454-I468 HydrophobicContact CD1-CD1 3.6Å; L454-I468 HydrophobicContact CG-CD1 4.46Å
455	V	98.4	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-7.9	-173.2	-60.2	0	0	0	0	113.9	S284 W285 L291 P420 L453 I467 K469 Y481	S284-V455 CarbonylContact C-O 3.52Å; S284-V455 WeakPolarHBondContact CA-O 3.23Å; W285-V455 HydrophobicContact CB-CB 4.43Å; W285-V455 WeakPolarHBondContact CB-O 3.2Å; W285-V455 PolarHBondContact N-O 2.72Å; L291-V455 HydrophobicContact CD1-CB 3.84Å; L291-V455 HydrophobicContact CD1-CG1 3.64Å; L291-V455 HydrophobicContact CD1-CG2 4.15Å; L291-V455 HydrophobicContact CD2-CB 4.45Å; L291-V455 HydrophobicContact CD2-CG1 3.8Å; L291-V455 HydrophobicContact CG-CG1 4.4Å; P420-V455 HydrophobicContact CB-CG1 4.36Å; L453-V455 HydrophobicContact CB-CG1 4.29Å; L453-V455 HydrophobicContact CD2-CG1 3.75Å; L453-V455 HydrophobicContact CG-CG1 3.84Å; V455-I467 HydrophobicContact CG2-CB 4.19Å; V455-I467 HydrophobicContact CG2-CG2 3.75Å; V455-I467 WeakPolarHBondContact CG2-O 3.39Å; V455-I467 PolarHBondContact N-O 3.05Å; V455-K469 HydrophobicContact CG1-CB 4.09Å; V455-Y481 HydrophobicContact CG2-CD1 4.19Å; V455-Y481 HydrophobicContact CG2-CE1 3.96Å
456	G	97.8	Very high	94.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-177.7	-176.8	0	0	0	0	0	113.4	F283 L454 I467	F283-G456 CarbonylContact O-C 3.58Å; F283-G456 WeakPolarHBondContact O-CA 3.36Å; L454-G456 WeakPolarHBondContact CD1-O 3.45Å; G456-I467 PolarHBondContact N-O 2.85Å; G456-I467 PolarHBondContact O-N 2.9Å
457	Y	97.6	Very high	95.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	162.5	178.6	61.3	-86.6	0	0	0	110.9	R280 A282 F283 I412 L415 V416 F459 Y465	R280-Y457 WeakPolarHBondContact O-CE2 3.22Å; R280-Y457 PolarHBondContact O-OH 2.81Å; A282-Y457 WeakPolarHBondContact CA-O 3.34Å; F283-Y457 HydrophobicContact CB-CD1 4.48Å; F283-Y457 HydrophobicContact CB-CE1 3.82Å; F283-Y457 HydrophobicContact CD1-CE1 4.3Å; F283-Y457 PolarHBondContact N-O 2.97Å; F283-Y457 PolarHBondContact O-N 2.81Å; I412-Y457 HydrophobicContact CD1-CD1 3.37Å; I412-Y457 HydrophobicContact CD1-CD2 4.29Å; I412-Y457 HydrophobicContact CD1-CE1 3.73Å; I412-Y457 HydrophobicContact CD1-CG 3.68Å; I412-Y457 HydrophobicContact CG2-CE1 4.35Å; L415-Y457 HydrophobicContact CD2-CD1 3.74Å; L415-Y457 HydrophobicContact CD2-CE1 4.23Å; V416-Y457 HydrophobicContact CG2-CE1 3.59Å; Y457-F459 HydrophobicContact CD2-CD1 4.05Å; Y457-F459 AromaticContact CD2-CD2 3.53Å; Y457-F459 HydrophobicContact CD2-CD2 3.53Å; Y457-F459 AromaticContact CD2-CE1 3.87Å; Y457-F459 HydrophobicContact CD2-CE1 3.87Å; Y457-F459 AromaticContact CD2-CE2 3.31Å; Y457-F459 HydrophobicContact CD2-CE2 3.31Å; Y457-F459 AromaticContact CD2-CG 3.92Å; Y457-F459 HydrophobicContact CD2-CG 3.92Å; Y457-F459 AromaticContact CD2-CZ 3.53Å; Y457-F459 HydrophobicContact CD2-CZ 3.53Å; Y457-F459 AromaticContact CE2-CD2 3.63Å; Y457-F459 HydrophobicContact CE2-CD2 3.63Å; Y457-F459 AromaticContact CE2-CE2 3.43Å; Y457-F459 HydrophobicContact CE2-CE2 3.43Å; Y457-F459 VanDerWaalsContact CE2-CE2 3.43Å; Y457-F459 HydrophobicContact CE2-CG 4.41Å; Y457-F459 HydrophobicContact CE2-CZ 4.1Å; Y457-F459 HydrophobicContact CG-CE1 4.22Å; Y457-F459 HydrophobicContact CG-CE2 4.12Å; Y457-F459 AromaticContact CG-CZ 3.93Å; Y457-F459 HydrophobicContact CG-CZ 3.93Å; Y457-Y465 CarbonylContact C-O 3.44Å; Y457-Y465 WeakPolarHBondContact CA-O 3.45Å; Y457-Y465 WeakPolarHBondContact CB-O 3.27Å
458	D	96.5	Very high	96.4	Very high	28 Å²	28	23.3 Å²	23.3	15%	0.15	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	109.9	171.8	-178.8	0.4	0	0	0	109.2	A282 T460 P464 Y465	A282-D458 HydrophobicContact CB-CB 4.15Å; D458-T460 WeakPolarHBondContact OD1-CB 3.36Å; D458-T460 PolarHBondContact OD1-N 3.43Å; D458-T460 PolarHBondContact OD1-OG1 2.9Å; D458-P464 WeakPolarHBondContact O-CA 3.37Å; D458-Y465 HydrophobicContact CB-CD1 4.37Å; D458-Y465 HydrophobicContact CB-CD2 4.48Å; D458-Y465 HydrophobicContact CB-CE1 3.72Å; D458-Y465 HydrophobicContact CB-CE2 3.86Å; D458-Y465 WeakPolarHBondContact CB-OH 3.45Å; D458-Y465 PolarHBondContact N-O 3.23Å; D458-Y465 PolarHBondContact O-N 2.76Å; D458-Y465 PolarHBondContact OD2-OH 2.73Å
459	F	94.8	Very high	96.6	Very high	48 Å²	48	22.5 Å²	22.5	21%	0.211	13%	0.128	C	C	.	.	S	Bend	trans	-95.7	0.1	178	-55.6	-35.3	0	0	0	112.9	F276 Q281 I412 Y457 P464 A486	F276-F459 AromaticContact CE2-CE2 3.71Å; F276-F459 HydrophobicContact CE2-CE2 3.71Å; F276-F459 HydrophobicContact CE2-CZ 4.35Å; F276-F459 AromaticContact CZ-CD2 3.96Å; F276-F459 HydrophobicContact CZ-CD2 3.96Å; F276-F459 AromaticContact CZ-CE2 3.58Å; F276-F459 HydrophobicContact CZ-CE2 3.58Å; F276-F459 HydrophobicContact CZ-CZ 4.36Å; Q281-F459 WeakPolarHBondContact O-CB 3.48Å; Q281-F459 PolarHBondContact O-N 2.64Å; I412-F459 HydrophobicContact CD1-CE2 4.2Å; I412-F459 HydrophobicContact CD1-CZ 3.65Å; I412-F459 HydrophobicContact CG1-CE2 4.16Å; I412-F459 HydrophobicContact CG1-CZ 3.73Å; Y457-F459 HydrophobicContact CD2-CD1 4.05Å; Y457-F459 AromaticContact CD2-CD2 3.53Å; Y457-F459 HydrophobicContact CD2-CD2 3.53Å; Y457-F459 AromaticContact CD2-CE1 3.87Å; Y457-F459 HydrophobicContact CD2-CE1 3.87Å; Y457-F459 AromaticContact CD2-CE2 3.31Å; Y457-F459 HydrophobicContact CD2-CE2 3.31Å; Y457-F459 AromaticContact CD2-CG 3.92Å; Y457-F459 HydrophobicContact CD2-CG 3.92Å; Y457-F459 AromaticContact CD2-CZ 3.53Å; Y457-F459 HydrophobicContact CD2-CZ 3.53Å; Y457-F459 AromaticContact CE2-CD2 3.63Å; Y457-F459 HydrophobicContact CE2-CD2 3.63Å; Y457-F459 AromaticContact CE2-CE2 3.43Å; Y457-F459 HydrophobicContact CE2-CE2 3.43Å; Y457-F459 VanDerWaalsContact CE2-CE2 3.43Å; Y457-F459 HydrophobicContact CE2-CG 4.41Å; Y457-F459 HydrophobicContact CE2-CZ 4.1Å; Y457-F459 HydrophobicContact CG-CE1 4.22Å; Y457-F459 HydrophobicContact CG-CE2 4.12Å; Y457-F459 AromaticContact CG-CZ 3.93Å; Y457-F459 HydrophobicContact CG-CZ 3.93Å; F459-P464 HydrophobicContact CD1-CB 4.01Å; F459-A486 HydrophobicContact CD1-CB 4.36Å; F459-A486 HydrophobicContact CE1-CB 3.81Å
460	T	94.2	Very high	96.8	Very high	88 Å²	88	20 Å²	20	54%	0.54	12%	0.116	S	C	.	.	S	Bend	trans	-85.9	-16	177.7	71.2	0	0	0	0	112.4	Q281 D458	Q281-T460 HydrophobicContact CB-CG2 3.57Å; D458-T460 WeakPolarHBondContact OD1-CB 3.36Å; D458-T460 PolarHBondContact OD1-N 3.43Å; D458-T460 PolarHBondContact OD1-OG1 2.9Å
461	A	92.5	Very high	96.8	Very high	12 Å²	12	20.2 Å²	20.2	10%	0.099	12%	0.118	C	C	.	.	S	Bend	trans	-70.7	147.5	178.6	0	0	0	0	0	112.5	T463 Y465	A461-T463 CarbonylContact O-C 3.5Å; A461-T463 PolarHBondContact O-N 3.41Å; A461-T463 VanDerWaalsContact O-N 3.16Å; A461-Y465 HydrophobicContact CB-CD1 3.88Å; A461-Y465 HydrophobicContact CB-CE1 3.61Å
462	P	91.3	Very high	96.8	Very high	107 Å²	107	20.2 Å²	20.2	70%	0.695	12%	0.118	S	C	*	.	S	Bend	trans	-43.4	-44.6	171.4	-31.9	27.5	0	0	0	114.9	Q232	Q232-P462 HydrophobicContact CG-CB 4.4Å; Q232-P462 VanDerWaalsContact NE2-CD 3.28Å
463	T	92.5	Very high	96.7	Very high	18 Å²	18	20.4 Å²	20.4	11%	0.11	12%	0.121	C	C	.	.	S	Bend	trans	-109.5	104.3	165.5	-66.3	0	0	0	0	107.9	D230 Q232 V438 A461 Y465 E485	D230-T463 PolarHBondContact OD2-OG1 3.2Å; Q232-T463 PolarHBondContact OE1-O 3.18Å; V438-T463 HydrophobicContact CB-CG2 4.21Å; V438-T463 HydrophobicContact CG1-CG2 3.77Å; A461-T463 CarbonylContact O-C 3.5Å; A461-T463 PolarHBondContact O-N 3.41Å; A461-T463 VanDerWaalsContact O-N 3.16Å; T463-Y465 WeakPolarHBondContact O-CD1 3.38Å; T463-Y465 PolarHBondContact O-N 3.4Å; T463-E485 HydrophobicContact CG2-CB 4.37Å; T463-E485 HydrophobicContact CG2-CG 4.1Å
464	P	95	Very high	96.7	Very high	48 Å²	48	25.5 Å²	25.5	31%	0.312	15%	0.148	S	C	.	.			trans	-52.5	136.3	175.1	-30.2	37.8	0	0	0	111.6	D458 F459 A486	D458-P464 WeakPolarHBondContact O-CA 3.37Å; F459-P464 HydrophobicContact CD1-CB 4.01Å; P464-A486 HydrophobicContact CB-CB 4.25Å; P464-A486 PolarHBondContact O-N 2.62Å
465	Y	97.1	Very high	96.6	Very high	22 Å²	22	28.7 Å²	28.7	9%	0.086	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.5	-175.5	65.5	-94.3	0	0	0	114.5	V438 Y457 D458 A461 T463 I467 R483 L484	V438-Y465 HydrophobicContact CG2-CD1 3.88Å; V438-Y465 HydrophobicContact CG2-CG 4.1Å; Y457-Y465 CarbonylContact C-O 3.44Å; Y457-Y465 WeakPolarHBondContact CA-O 3.45Å; Y457-Y465 WeakPolarHBondContact CB-O 3.27Å; D458-Y465 HydrophobicContact CB-CD1 4.37Å; D458-Y465 HydrophobicContact CB-CD2 4.48Å; D458-Y465 HydrophobicContact CB-CE1 3.72Å; D458-Y465 HydrophobicContact CB-CE2 3.86Å; D458-Y465 WeakPolarHBondContact CB-OH 3.45Å; D458-Y465 PolarHBondContact N-O 3.23Å; D458-Y465 PolarHBondContact O-N 2.76Å; D458-Y465 PolarHBondContact OD2-OH 2.73Å; A461-Y465 HydrophobicContact CB-CD1 3.88Å; A461-Y465 HydrophobicContact CB-CE1 3.61Å; T463-Y465 WeakPolarHBondContact O-CD1 3.38Å; T463-Y465 PolarHBondContact O-N 3.4Å; Y465-I467 HydrophobicContact CD2-CG1 4.16Å; Y465-I467 HydrophobicContact CE2-CD1 4.38Å; Y465-I467 HydrophobicContact CE2-CG1 3.79Å; Y465-R483 HydrophobicContact CD2-CB 3.81Å; Y465-R483 HydrophobicContact CD2-CG 3.67Å; Y465-R483 HydrophobicContact CE2-CG 3.89Å; Y465-R483 HydrophobicContact CG-CB 4.04Å; Y465-R483 HydrophobicContact CG-CG 4.28Å; Y465-L484 CarbonylContact C-O 3.47Å; Y465-L484 WeakPolarHBondContact CA-O 3.36Å; Y465-L484 VanDerWaalsContact CB-O 3.3Å; Y465-L484 WeakPolarHBondContact CB-O 3.29Å
466	Y	98.4	Very high	96.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.7	165.4	-67.1	-64.4	0	0	0	111.5	E408 I412 L454 R483 L484 A486 L493	E408-Y466 WeakPolarHBondContact CB-OH 3.47Å; E408-Y466 WeakPolarHBondContact OE2-CE2 2.89Å; E408-Y466 PolarHBondContact OE2-OH 3.47Å; E408-Y466 VanDerWaalsContact OE2-OH 3.12Å; I412-Y466 HydrophobicContact CD1-CD1 4.38Å; I412-Y466 HydrophobicContact CD1-CE1 3.56Å; I412-Y466 HydrophobicContact CG1-CE1 4.21Å; L454-Y466 HydrophobicContact CD1-CD1 3.66Å; L454-Y466 HydrophobicContact CD1-CG 3.92Å; L454-Y466 HydrophobicContact CD2-CD1 4.5Å; Y466-R483 VanDerWaalsContact O-CA 3.28Å; Y466-R483 WeakPolarHBondContact O-CA 3.44Å; Y466-L484 PolarHBondContact N-O 3.35Å; Y466-L484 PolarHBondContact O-N 2.89Å; Y466-L484 VanDerWaalsContact O-N 3.15Å; Y466-A486 HydrophobicContact CD2-CB 3.77Å; Y466-A486 HydrophobicContact CE1-CB 4.4Å; Y466-A486 HydrophobicContact CE2-CB 3.51Å; Y466-A486 HydrophobicContact CG-CB 4.33Å; Y466-L493 HydrophobicContact CD2-CD1 3.49Å; Y466-L493 VanDerWaalsContact CD2-CD1 3.49Å; Y466-L493 HydrophobicContact CD2-CD2 4.39Å; Y466-L493 HydrophobicContact CE2-CD1 3.86Å; Y466-L493 HydrophobicContact CE2-CD2 4.45Å; Y466-L493 HydrophobicContact CG-CD1 4.07Å
467	I	98.6	Very high	96.6	Very high	32 Å²	32	28.8 Å²	28.8	16%	0.164	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.3	174.2	-55.6	168.5	0	0	0	108	V455 G456 Y465 Y481	V455-I467 HydrophobicContact CG2-CB 4.19Å; V455-I467 HydrophobicContact CG2-CG2 3.75Å; V455-I467 WeakPolarHBondContact CG2-O 3.39Å; V455-I467 PolarHBondContact N-O 3.05Å; G456-I467 PolarHBondContact N-O 2.85Å; G456-I467 PolarHBondContact O-N 2.9Å; Y465-I467 HydrophobicContact CD2-CG1 4.16Å; Y465-I467 HydrophobicContact CE2-CD1 4.38Å; Y465-I467 HydrophobicContact CE2-CG1 3.79Å; I467-Y481 HydrophobicContact CG2-CD1 3.99Å
468	I	98.7	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.4	-175.1	-53.4	-58.4	0	0	0	109	V423 V452 L453 L454 Y481 M482 L484	V423-I468 HydrophobicContact CG2-CD1 4.27Å; V452-I468 HydrophobicContact CB-CG2 3.49Å; V452-I468 VanDerWaalsContact CB-CG2 3.49Å; V452-I468 HydrophobicContact CG1-CG2 4.17Å; V452-I468 HydrophobicContact CG2-CG2 3.34Å; L453-I468 CarbonylContact O-C 3.55Å; L453-I468 WeakPolarHBondContact O-CA 3.17Å; L454-I468 HydrophobicContact CB-CD1 4.09Å; L454-I468 HydrophobicContact CD1-CD1 3.6Å; L454-I468 HydrophobicContact CG-CD1 4.46Å; I468-Y481 CarbonylContact O-C 3.39Å; I468-Y481 WeakPolarHBondContact O-CA 3.36Å; I468-Y481 WeakPolarHBondContact O-CB 3.27Å; I468-M482 HydrophobicContact CB-CG 3.63Å; I468-M482 HydrophobicContact CG1-CG 4.27Å; I468-M482 HydrophobicContact CG2-CG 4.01Å; I468-M482 HydrophobicContact CG2-SD 4.34Å; I468-M482 PolarHBondContact N-O 3.43Å; I468-M482 PolarHBondContact O-N 3.36Å; I468-L484 HydrophobicContact CG1-CD1 4.05Å; I468-L484 HydrophobicContact CG1-CG 4.12Å
469	K	98.8	Very high	96.6	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.2	169.4	-171.4	-171.8	176.7	-163.3	0	109.2	P292 A293 V294 D310 L453 V455 Y481	P292-K469 WeakPolarHBondContact O-CE 3.27Å; P292-K469 PolarHBondContact O-NZ 2.75Å; A293-K469 PolarHBondContact O-NZ 2.88Å; V294-K469 HydrophobicContact CG2-CG 4.31Å; D310-K469 IonicContact OD1-NZ 2.71Å; D310-K469 WeakPolarHBondContact OD2-CE 3.5Å; D310-K469 IonicContact OD2-NZ 3.27Å; D310-K469 PolarHBondContact OD2-NZ 2.66Å; L453-K469 HydrophobicContact CB-CB 4.22Å; L453-K469 PolarHBondContact N-O 3.02Å; L453-K469 VanDerWaalsContact N-O 3.1Å; L453-K469 PolarHBondContact O-N 3.32Å; V455-K469 HydrophobicContact CG1-CB 4.09Å; K469-Y481 HydrophobicContact CB-CD1 3.82Å; K469-Y481 HydrophobicContact CB-CE1 3.47Å; K469-Y481 VanDerWaalsContact CB-CE1 3.47Å; K469-Y481 HydrophobicContact CD-CE1 4.35Å; K469-Y481 HydrophobicContact CG-CD1 4.25Å; K469-Y481 HydrophobicContact CG-CE1 3.65Å
470	N	98.4	Very high	96.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.187	C	C	.	.			trans	-113.2	174.4	179.1	-158.5	4	0	0	0	111.9	H450 W476 G480	H450-N470 PolarHBondContact NE2-OD1 2.87Å; N470-W476 HydrophobicContact CB-CE3 4.19Å; N470-W476 HydrophobicContact CB-CH2 4.45Å; N470-W476 HydrophobicContact CB-CZ3 3.68Å; N470-W476 VanDerWaalsContact ND2-CH2 3.33Å; N470-W476 WeakPolarHBondContact ND2-CH2 3.48Å; N470-W476 WeakPolarHBondContact ND2-CZ3 3.31Å; N470-G480 WeakPolarHBondContact CB-O 3.33Å; N470-G480 PolarHBondContact N-O 2.01Å
471	S	98.1	Very high	97	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.035	16%	0.164	C	C	.	.	S	Bend	trans	-117.6	35.6	179.5	48.1	0	0	0	0	112.8	R295 Q297	R295-S471 CarbonylContact O-C 3.46Å; R295-S471 VanDerWaalsContact O-CA 3.3Å; R295-S471 WeakPolarHBondContact O-CA 3.5Å; Q297-S471 WeakPolarHBondContact CG-O 3.11Å; Q297-S471 PolarHBondContact N-O 3.18Å; Q297-S471 PolarHBondContact OE1-OG 3.04Å
472	W	98	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-117.6	30.2	-177	-68.3	-10.9	0	0	0	112.7	Q240 Y241 F249 Y253 R295 E296 V427 L431 H450 W476	Q240-W472 PolarHBondContact NE2-O 3.39Å; Y241-W472 HydrophobicContact CE2-CB 3.97Å; Y241-W472 HydrophobicContact CE2-CG 4.43Å; Y241-W472 VanDerWaalsContact OH-C 3.24Å; Y241-W472 WeakPolarHBondContact OH-CA 3.05Å; Y241-W472 WeakPolarHBondContact OH-CB 3.41Å; Y241-W472 PolarHBondContact OH-O 3.14Å; F249-W472 HydrophobicContact CE1-CE3 4.49Å; F249-W472 AromaticContact CE1-CH2 3.58Å; F249-W472 HydrophobicContact CE1-CH2 3.58Å; F249-W472 AromaticContact CE1-CZ2 3.85Å; F249-W472 HydrophobicContact CE1-CZ2 3.85Å; F249-W472 AromaticContact CE1-CZ3 3.92Å; F249-W472 HydrophobicContact CE1-CZ3 3.92Å; F249-W472 AromaticContact CZ-CD2 3.86Å; F249-W472 HydrophobicContact CZ-CD2 3.86Å; F249-W472 AromaticContact CZ-CE2 3.81Å; F249-W472 AromaticContact CZ-CE3 3.71Å; F249-W472 HydrophobicContact CZ-CE3 3.71Å; F249-W472 AromaticContact CZ-CH2 3.6Å; F249-W472 HydrophobicContact CZ-CH2 3.6Å; F249-W472 AromaticContact CZ-CZ2 3.71Å; F249-W472 HydrophobicContact CZ-CZ2 3.71Å; F249-W472 AromaticContact CZ-CZ3 3.58Å; F249-W472 HydrophobicContact CZ-CZ3 3.58Å; Y253-W472 PolarHBondContact O-NE1 3.21Å; R295-W472 PolarHBondContact O-N 3.12Å; E296-W472 VanDerWaalsContact OE2-O 3.06Å; V427-W472 HydrophobicContact CG1-CH2 3.91Å; V427-W472 HydrophobicContact CG1-CZ2 4.48Å; V427-W472 HydrophobicContact CG2-CH2 4.05Å; V427-W472 HydrophobicContact CG2-CZ2 4.25Å; L431-W472 HydrophobicContact CD2-CH2 3.89Å; L431-W472 HydrophobicContact CD2-CZ3 4.04Å; L431-W472 HydrophobicContact CG-CH2 4.22Å; L431-W472 HydrophobicContact CG-CZ3 3.92Å; H450-W472 AromaticContact CD2-CZ2 3.8Å; H450-W472 AromaticContact CE1-CE2 3.82Å; H450-W472 AromaticContact CE1-CZ2 3.82Å; H450-W472 AromaticContact CE1-NE1 3.53Å; H450-W472 AromaticContact NE2-CE2 3.66Å; H450-W472 AromaticContact NE2-CZ2 3.57Å; H450-W472 AromaticContact NE2-NE1 3.76Å; W472-W476 HydrophobicContact CB-CB 4.27Å; W472-W476 HydrophobicContact CB-CD2 4.26Å; W472-W476 HydrophobicContact CB-CE3 4.44Å; W472-W476 HydrophobicContact CB-CG 4.18Å; W472-W476 AromaticContact CE3-CD2 3.83Å; W472-W476 HydrophobicContact CE3-CD2 3.83Å; W472-W476 AromaticContact CE3-CE2 3.44Å; W472-W476 VanDerWaalsContact CE3-CE2 3.44Å; W472-W476 HydrophobicContact CE3-CE3 4.34Å; W472-W476 HydrophobicContact CE3-CG 4.31Å; W472-W476 HydrophobicContact CE3-CH2 4.14Å; W472-W476 AromaticContact CE3-CZ2 3.62Å; W472-W476 HydrophobicContact CE3-CZ2 3.62Å; W472-W476 HydrophobicContact CE3-CZ3 4.49Å; W472-W476 AromaticContact CE3-NE1 3.66Å; W472-W476 AromaticContact CZ3-CE2 3.8Å; W472-W476 HydrophobicContact CZ3-CH2 4.2Å; W472-W476 AromaticContact CZ3-CZ2 3.57Å; W472-W476 HydrophobicContact CZ3-CZ2 3.57Å; W472-W476 WeakPolarHBondContact O-CB 3.31Å
473	G	97.7	Very high	97.6	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	14%	0.14	C	C	.	.			trans	77.2	159.4	178.8	0	0	0	0	0	113.5	R295 E296 W476 G480	R295-G473 PolarHBondContact O-N 3.27Å; E296-G473 WeakPolarHBondContact OE2-CA 3.39Å; E296-G473 PolarHBondContact OE2-N 3.44Å; G473-W476 PolarHBondContact O-N 2.04Å; G473-G480 VanDerWaalsContact O-CA 3.26Å; G473-G480 WeakPolarHBondContact O-CA 3.4Å
474	D	97.1	Very high	97.8	Very high	110 Å²	110	26.9 Å²	26.9	59%	0.588	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24	-178.7	58.9	-7.8	0	0	0	113.1	V294 W476 E479 G480	V294-D474 HydrophobicContact CG1-CB 4.39Å; D474-W476 PolarHBondContact O-N 2.75Å; D474-E479 CarbonylContact O-C 3.55Å; D474-E479 WeakPolarHBondContact O-CA 3.01Å; D474-G480 PolarHBondContact O-N 2.84Å
475	D	96.1	Very high	97.8	Very high	66 Å²	66	25.6 Å²	25.6	35%	0.353	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.4	172.6	-101.5	-35.5	0	0	0	113.5	F195 K435	F195-D475 HydrophobicContact CE1-CB 3.96Å; K435-D475 PolarHBondContact NZ-O 2.9Å
476	W	98.1	Very high	97.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-85.7	143.2	174.8	-179.4	91.2	0	0	0	111.2	Y241 L431 Y434 N470 W472 G473 D474 G480 M482	Y241-W476 AromaticContact CD2-CD1 3.95Å; Y241-W476 HydrophobicContact CE2-CB 4.24Å; Y241-W476 AromaticContact CE2-CD1 3.78Å; Y241-W476 HydrophobicContact CE2-CG 4.18Å; L431-W476 HydrophobicContact CD1-CZ2 4.1Å; L431-W476 HydrophobicContact CG-CZ2 4.06Å; L431-W476 WeakPolarHBondContact O-CZ2 3.46Å; L431-W476 PolarHBondContact O-NE1 2.55Å; Y434-W476 AromaticContact CD1-CH2 3.88Å; Y434-W476 HydrophobicContact CD1-CH2 3.88Å; Y434-W476 AromaticContact CD1-CZ2 3.8Å; Y434-W476 HydrophobicContact CD1-CZ2 3.8Å; Y434-W476 HydrophobicContact CD1-CZ3 4.39Å; Y434-W476 HydrophobicContact CG-CZ2 4.21Å; N470-W476 HydrophobicContact CB-CE3 4.19Å; N470-W476 HydrophobicContact CB-CH2 4.45Å; N470-W476 HydrophobicContact CB-CZ3 3.68Å; N470-W476 VanDerWaalsContact ND2-CH2 3.33Å; N470-W476 WeakPolarHBondContact ND2-CH2 3.48Å; N470-W476 WeakPolarHBondContact ND2-CZ3 3.31Å; W472-W476 HydrophobicContact CB-CB 4.27Å; W472-W476 HydrophobicContact CB-CD2 4.26Å; W472-W476 HydrophobicContact CB-CE3 4.44Å; W472-W476 HydrophobicContact CB-CG 4.18Å; W472-W476 AromaticContact CE3-CD2 3.83Å; W472-W476 HydrophobicContact CE3-CD2 3.83Å; W472-W476 AromaticContact CE3-CE2 3.44Å; W472-W476 VanDerWaalsContact CE3-CE2 3.44Å; W472-W476 HydrophobicContact CE3-CE3 4.34Å; W472-W476 HydrophobicContact CE3-CG 4.31Å; W472-W476 HydrophobicContact CE3-CH2 4.14Å; W472-W476 AromaticContact CE3-CZ2 3.62Å; W472-W476 HydrophobicContact CE3-CZ2 3.62Å; W472-W476 HydrophobicContact CE3-CZ3 4.49Å; W472-W476 AromaticContact CE3-NE1 3.66Å; W472-W476 AromaticContact CZ3-CE2 3.8Å; W472-W476 HydrophobicContact CZ3-CH2 4.2Å; W472-W476 AromaticContact CZ3-CZ2 3.57Å; W472-W476 HydrophobicContact CZ3-CZ2 3.57Å; W472-W476 WeakPolarHBondContact O-CB 3.31Å; G473-W476 PolarHBondContact O-N 2.04Å; D474-W476 PolarHBondContact O-N 2.75Å; W476-G480 VanDerWaalsContact O-CA 3.25Å; W476-G480 WeakPolarHBondContact O-CA 3.46Å; W476-G480 PolarHBondContact O-N 3.42Å; W476-M482 HydrophobicContact CH2-CB 3.77Å; W476-M482 HydrophobicContact CH2-CG 4.09Å; W476-M482 HydrophobicContact CH2-SD 3.68Å; W476-M482 HydrophobicContact CZ3-CB 4.08Å; W476-M482 HydrophobicContact CZ3-CG 4.43Å; W476-M482 HydrophobicContact CZ3-SD 4.42Å
477	G	98.3	Very high	97.4	Very high	3 Å²	3	26 Å²	26	3%	0.031	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-144.4	-179	0	0	0	0	0	113.3	Y434 K435	Y434-G477 VanDerWaalsContact CD1-CA 3.5Å; Y434-G477 WeakPolarHBondContact O-CA 3.25Å; Y434-G477 PolarHBondContact O-N 3.17Å; Y434-G477 VanDerWaalsContact O-N 3.12Å; K435-G477 PolarHBondContact NZ-O 3.33Å; K435-G477 CarbonylContact O-C 3.59Å
478	E	98.2	Very high	97.1	Very high	37 Å²	37	32.1 Å²	32.1	17%	0.173	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-96	83.9	177.6	-57.5	-174.1	156.1	0	0	109.5	K435 T436 G437 G480 Y481 R483	K435-E478 PolarHBondContact O-N 3.35Å; T436-E478 WeakPolarHBondContact CA-OE1 3.44Å; T436-E478 WeakPolarHBondContact CB-OE1 3.16Å; T436-E478 PolarHBondContact OG1-OE1 3.28Å; G437-E478 PolarHBondContact N-OE1 2.96Å; E478-G480 VanDerWaalsContact C-N 3.26Å; E478-G480 PolarHBondContact O-N 3.4Å; E478-Y481 PolarHBondContact N-O 3.37Å; E478-Y481 WeakPolarHBondContact O-CB 3.44Å; E478-Y481 PolarHBondContact O-N 3.13Å; E478-R483 VanDerWaalsContact CD-NE 3.34Å; E478-R483 VanDerWaalsContact CD-NH2 3.31Å; E478-R483 IonicContact OE1-CZ 3.76Å; E478-R483 IonicContact OE1-NE 2.71Å; E478-R483 PolarHBondContact OE1-NE 3.47Å; E478-R483 IonicContact OE1-NH2 2.73Å; E478-R483 PolarHBondContact OE1-NH2 3.13Å; E478-R483 VanDerWaalsContact OE1-NH2 3.14Å; E478-R483 IonicContact OE2-CZ 2.88Å; E478-R483 IonicContact OE2-NE 3.82Å; E478-R483 PolarHBondContact OE2-NE 3.19Å; E478-R483 IonicContact OE2-NH2 2.7Å; E478-R483 PolarHBondContact OE2-NH2 3.04Å
479	E	97.7	Very high	96.8	Very high	132 Å²	132	34.5 Å²	34.5	62%	0.617	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	38.1	-175.2	-55.7	163.6	-142.9	0	0	112.4	K286 V294 D474 Y481	K286-E479 IonicContact NZ-OE2 3.37Å; K286-E479 PolarHBondContact NZ-OE2 3.16Å; V294-E479 WeakPolarHBondContact CG2-O 3.47Å; D474-E479 CarbonylContact O-C 3.55Å; D474-E479 WeakPolarHBondContact O-CA 3.01Å; E479-Y481 WeakPolarHBondContact O-CD2 2.93Å; E479-Y481 WeakPolarHBondContact O-CE2 3.47Å
480	G	98.3	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	6.7	-175.5	0	0	0	0	0	115.6	N470 G473 D474 W476 E478	N470-G480 WeakPolarHBondContact CB-O 3.33Å; N470-G480 PolarHBondContact N-O 2.01Å; G473-G480 VanDerWaalsContact O-CA 3.26Å; G473-G480 WeakPolarHBondContact O-CA 3.4Å; D474-G480 PolarHBondContact O-N 2.84Å; W476-G480 VanDerWaalsContact O-CA 3.25Å; W476-G480 WeakPolarHBondContact O-CA 3.46Å; W476-G480 PolarHBondContact O-N 3.42Å; E478-G480 VanDerWaalsContact C-N 3.26Å; E478-G480 PolarHBondContact O-N 3.4Å
481	Y	98.7	Very high	96.2	Very high	18 Å²	18	34.2 Å²	34.2	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	156.6	175.6	-61.1	-101.8	0	0	0	111.7	K286 L291 V294 V455 I467 I468 K469 E478 E479	K286-Y481 HydrophobicContact CD-CE1 4.26Å; K286-Y481 HydrophobicContact CD-CE2 4.03Å; L291-Y481 HydrophobicContact CD1-CE1 4.34Å; V294-Y481 HydrophobicContact CG2-CD2 4.29Å; V294-Y481 HydrophobicContact CG2-CE2 3.62Å; V455-Y481 HydrophobicContact CG2-CD1 4.19Å; V455-Y481 HydrophobicContact CG2-CE1 3.96Å; I467-Y481 HydrophobicContact CG2-CD1 3.99Å; I468-Y481 CarbonylContact O-C 3.39Å; I468-Y481 WeakPolarHBondContact O-CA 3.36Å; I468-Y481 WeakPolarHBondContact O-CB 3.27Å; K469-Y481 HydrophobicContact CB-CD1 3.82Å; K469-Y481 HydrophobicContact CB-CE1 3.47Å; K469-Y481 VanDerWaalsContact CB-CE1 3.47Å; K469-Y481 HydrophobicContact CD-CE1 4.35Å; K469-Y481 HydrophobicContact CG-CD1 4.25Å; K469-Y481 HydrophobicContact CG-CE1 3.65Å; E478-Y481 PolarHBondContact N-O 3.37Å; E478-Y481 WeakPolarHBondContact O-CB 3.44Å; E478-Y481 PolarHBondContact O-N 3.13Å; E479-Y481 WeakPolarHBondContact O-CD2 2.93Å; E479-Y481 WeakPolarHBondContact O-CE2 3.47Å
482	M	98.1	Very high	96	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.6	172.6	62.6	-175	-92.5	0	0	111.5	I425 L431 Y434 I468 W476 L484	I425-M482 HydrophobicContact CD1-CE 3.76Å; I425-M482 HydrophobicContact CD1-SD 3.89Å; L431-M482 HydrophobicContact CD1-CE 4.28Å; L431-M482 HydrophobicContact CD1-SD 4.5Å; Y434-M482 HydrophobicContact CD1-CB 4.05Å; Y434-M482 HydrophobicContact CE1-CB 3.56Å; I468-M482 HydrophobicContact CB-CG 3.63Å; I468-M482 HydrophobicContact CG1-CG 4.27Å; I468-M482 HydrophobicContact CG2-CG 4.01Å; I468-M482 HydrophobicContact CG2-SD 4.34Å; I468-M482 PolarHBondContact N-O 3.43Å; I468-M482 PolarHBondContact O-N 3.36Å; W476-M482 HydrophobicContact CH2-CB 3.77Å; W476-M482 HydrophobicContact CH2-CG 4.09Å; W476-M482 HydrophobicContact CH2-SD 3.68Å; W476-M482 HydrophobicContact CZ3-CB 4.08Å; W476-M482 HydrophobicContact CZ3-CG 4.43Å; W476-M482 HydrophobicContact CZ3-SD 4.42Å; M482-L484 HydrophobicContact CE-CD1 3.8Å; M482-L484 HydrophobicContact CE-CD2 3.14Å; M482-L484 HydrophobicContact CE-CG 3.45Å; M482-L484 VanDerWaalsContact CE-CG 3.45Å
483	R	97.8	Very high	95.9	Very high	75 Å²	75	34.5 Å²	34.5	28%	0.283	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.5	175.2	-57	179.9	-165.3	-178.3	11.2	110.2	Y434 V438 L439 Y465 Y466 E478	Y434-R483 PolarHBondContact OH-N 3.03Å; V438-R483 HydrophobicContact CG2-CB 4.16Å; L439-R483 PolarHBondContact N-O 3.41Å; Y465-R483 HydrophobicContact CD2-CB 3.81Å; Y465-R483 HydrophobicContact CD2-CG 3.67Å; Y465-R483 HydrophobicContact CE2-CG 3.89Å; Y465-R483 HydrophobicContact CG-CB 4.04Å; Y465-R483 HydrophobicContact CG-CG 4.28Å; Y466-R483 VanDerWaalsContact O-CA 3.28Å; Y466-R483 WeakPolarHBondContact O-CA 3.44Å; E478-R483 VanDerWaalsContact CD-NE 3.34Å; E478-R483 VanDerWaalsContact CD-NH2 3.31Å; E478-R483 IonicContact OE1-CZ 3.76Å; E478-R483 IonicContact OE1-NE 2.71Å; E478-R483 PolarHBondContact OE1-NE 3.47Å; E478-R483 IonicContact OE1-NH2 2.73Å; E478-R483 PolarHBondContact OE1-NH2 3.13Å; E478-R483 VanDerWaalsContact OE1-NH2 3.14Å; E478-R483 IonicContact OE2-CZ 2.88Å; E478-R483 IonicContact OE2-NE 3.82Å; E478-R483 PolarHBondContact OE2-NE 3.19Å; E478-R483 IonicContact OE2-NH2 2.7Å; E478-R483 PolarHBondContact OE2-NH2 3.04Å
484	L	96.6	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.1	174.6	-70.3	-174.8	0	0	0	110.2	I425 L439 Y465 Y466 I468 M482 A486 T490 L493	I425-L484 HydrophobicContact CG2-CD1 3.9Å; L439-L484 HydrophobicContact CB-CD2 3.85Å; L439-L484 HydrophobicContact CD2-CD2 3.75Å; L439-L484 HydrophobicContact CG-CD2 4.31Å; Y465-L484 CarbonylContact C-O 3.47Å; Y465-L484 WeakPolarHBondContact CA-O 3.36Å; Y465-L484 VanDerWaalsContact CB-O 3.3Å; Y465-L484 WeakPolarHBondContact CB-O 3.29Å; Y466-L484 PolarHBondContact N-O 3.35Å; Y466-L484 PolarHBondContact O-N 2.89Å; Y466-L484 VanDerWaalsContact O-N 3.15Å; I468-L484 HydrophobicContact CG1-CD1 4.05Å; I468-L484 HydrophobicContact CG1-CG 4.12Å; M482-L484 HydrophobicContact CE-CD1 3.8Å; M482-L484 HydrophobicContact CE-CD2 3.14Å; M482-L484 HydrophobicContact CE-CG 3.45Å; M482-L484 VanDerWaalsContact CE-CG 3.45Å; L484-A486 PolarHBondContact O-N 2.92Å; L484-T490 HydrophobicContact CB-CG2 4.15Å; L484-T490 HydrophobicContact CD2-CG2 3.94Å; L484-T490 HydrophobicContact CG-CG2 4.49Å; L484-L493 HydrophobicContact CD1-CB 4.32Å; L484-L493 HydrophobicContact CD1-CD1 4.5Å
485	E	94.4	Very high	95.5	Very high	21 Å²	21	30.1 Å²	30.1	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	129.2	172.4	177.5	-178	-159.8	0	0	110.6	V438 L439 Q440 Q441 T463 R488 T490	V438-E485 HydrophobicContact CG1-CB 4.05Å; L439-E485 PolarHBondContact O-N 2.93Å; Q440-E485 WeakPolarHBondContact CA-OE2 3.49Å; Q441-E485 PolarHBondContact N-OE2 3.39Å; T463-E485 HydrophobicContact CG2-CB 4.37Å; T463-E485 HydrophobicContact CG2-CG 4.1Å; E485-R488 VanDerWaalsContact CD-CD 3.46Å; E485-R488 HydrophobicContact CG-CG 4.34Å; E485-R488 VanDerWaalsContact OE1-CD 3.23Å; E485-R488 WeakPolarHBondContact OE1-CD 3.28Å; E485-R488 IonicContact OE1-CZ 2.97Å; E485-R488 IonicContact OE1-NE 3.21Å; E485-R488 PolarHBondContact OE1-NE 3.42Å; E485-R488 IonicContact OE1-NH2 3.42Å; E485-R488 IonicContact OE2-NE 3.79Å; E485-T490 HydrophobicContact CB-CG2 4.36Å; E485-T490 VanDerWaalsContact O-CB 3.23Å; E485-T490 WeakPolarHBondContact O-CB 3.32Å; E485-T490 PolarHBondContact O-OG1 3.02Å
486	A	95.3	Very high	95.5	Very high	13 Å²	13	27.4 Å²	27.4	11%	0.107	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	150.9	-179.3	0	0	0	0	0	112.3	F459 P464 Y466 L484	F459-A486 HydrophobicContact CD1-CB 4.36Å; F459-A486 HydrophobicContact CE1-CB 3.81Å; P464-A486 HydrophobicContact CB-CB 4.25Å; P464-A486 PolarHBondContact O-N 2.62Å; Y466-A486 HydrophobicContact CD2-CB 3.77Å; Y466-A486 HydrophobicContact CE1-CB 4.4Å; Y466-A486 HydrophobicContact CE2-CB 3.51Å; Y466-A486 HydrophobicContact CG-CB 4.33Å; L484-A486 PolarHBondContact O-N 2.92Å
487	G	92.9	Very high	95.4	Very high	19 Å²	19	27.4 Å²	27.4	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	12.7	176.3	0	0	0	0	0	115.4	E408	E408-G487 WeakPolarHBondContact OE2-CA 3.46Å; E408-G487 PolarHBondContact OE2-N 3Å
488	R	91.6	Very high	95.3	Very high	161 Å²	161	27.2 Å²	27.2	61%	0.608	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.1	6.6	-172.5	-65.7	-151.2	-170.3	-132.2	1	115.9	Q441 E485 T490	Q441-R488 HydrophobicContact CB-CB 4.09Å; Q441-R488 HydrophobicContact CG-CB 4.45Å; Q441-R488 PolarHBondContact NE2-O 3.25Å; E485-R488 VanDerWaalsContact CD-CD 3.46Å; E485-R488 HydrophobicContact CG-CG 4.34Å; E485-R488 VanDerWaalsContact OE1-CD 3.23Å; E485-R488 WeakPolarHBondContact OE1-CD 3.28Å; E485-R488 IonicContact OE1-CZ 2.97Å; E485-R488 IonicContact OE1-NE 3.21Å; E485-R488 PolarHBondContact OE1-NE 3.42Å; E485-R488 IonicContact OE1-NH2 3.42Å; E485-R488 IonicContact OE2-NE 3.79Å; R488-T490 PolarHBondContact O-N 2.8Å
489	N	93	Very high	95.1	Very high	50 Å²	50	25.5 Å²	25.5	27%	0.267	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	42.6	-169.6	-162.9	23.6	0	0	0	111.6	E408 Q441 C491 G492 L493 A494	E408-N489 WeakPolarHBondContact OE1-CA 3.39Å; E408-N489 PolarHBondContact OE1-N 3.11Å; Q441-N489 PolarHBondContact NE2-O 3.17Å; Q441-N489 PolarHBondContact OE1-O 3.39Å; N489-C491 PolarHBondContact O-N 3.44Å; N489-G492 WeakPolarHBondContact O-CA 3.42Å; N489-G492 PolarHBondContact O-N 3.16Å; N489-G492 VanDerWaalsContact OD1-CA 3.32Å; N489-G492 WeakPolarHBondContact OD1-CA 3.41Å; N489-G492 PolarHBondContact OD1-O 3.04Å; N489-L493 PolarHBondContact OD1-N 3.2Å; N489-A494 WeakPolarHBondContact OD1-CB 3.41Å; N489-A494 PolarHBondContact OD1-N 3.17Å
490	T	92.4	Very high	95	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-54.6	120.8	-176.1	-59.4	0	0	0	0	110.8	L484 E485 R488 G492 L493	L484-T490 HydrophobicContact CB-CG2 4.15Å; L484-T490 HydrophobicContact CD2-CG2 3.94Å; L484-T490 HydrophobicContact CG-CG2 4.49Å; E485-T490 HydrophobicContact CB-CG2 4.36Å; E485-T490 VanDerWaalsContact O-CB 3.23Å; E485-T490 WeakPolarHBondContact O-CB 3.32Å; E485-T490 PolarHBondContact O-OG1 3.02Å; R488-T490 PolarHBondContact O-N 2.8Å; T490-G492 PolarHBondContact O-N 3.42Å; T490-G492 VanDerWaalsContact O-N 3.08Å; T490-L493 VanDerWaalsContact N-CD2 3.29Å; T490-L493 WeakPolarHBondContact O-CD2 3.42Å; T490-L493 PolarHBondContact O-N 3.41Å
491	C	92.5	Very high	94.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	58.1	19.4	-175.8	-70	0	0	0	0	114.2	I425 N426 C444 N489	I425-C491 CarbonylContact C-O 3.49Å; I425-C491 WeakPolarHBondContact CA-O 3.37Å; I425-C491 HydrophobicContact CB-CB 4.11Å; I425-C491 HydrophobicContact CG2-CB 4.49Å; N426-C491 HydrophobicContact CB-CB 4.38Å; N426-C491 PolarHBondContact N-O 3.48Å; C444-C491 HydrophobicContact CB-CB 3.8Å; C444-C491 WeakPolarHBondContact CB-SG 3.28Å; C444-C491 WeakPolarHBondContact SG-CA 3.22Å; C444-C491 WeakPolarHBondContact SG-CB 3.41Å; C444-C491 PolarHBondContact SG-N 3.48Å; C444-C491 CovalentContact SG-SG 2.04Å; C444-C491 PolarHBondContact SG-SG 2.89Å; N489-C491 PolarHBondContact O-N 3.44Å
492	G	93.7	Very high	94.4	Very high	12 Å²	12	18.8 Å²	18.8	12%	0.124	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	78.7	12.9	-179.3	0	0	0	0	0	115.1	T424 N489 T490 A494 G495	T424-G492 CarbonylContact O-C 3.54Å; N489-G492 WeakPolarHBondContact O-CA 3.42Å; N489-G492 PolarHBondContact O-N 3.16Å; N489-G492 VanDerWaalsContact OD1-CA 3.32Å; N489-G492 WeakPolarHBondContact OD1-CA 3.41Å; N489-G492 PolarHBondContact OD1-O 3.04Å; T490-G492 PolarHBondContact O-N 3.42Å; T490-G492 VanDerWaalsContact O-N 3.08Å; G492-A494 PolarHBondContact O-N 3.07Å; G492-G495 PolarHBondContact O-N 2.97Å; G492-G495 VanDerWaalsContact O-N 3.08Å
493	L	95.8	Very high	93.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.7	-170.5	84.8	146	0	0	0	114.8	E408 L411 V423 T424 I425 Y466 L484 N489 T490	E408-L493 WeakPolarHBondContact OE1-CD2 3.44Å; L411-L493 HydrophobicContact CD2-CD1 3.94Å; L411-L493 HydrophobicContact CD2-CG 4.38Å; V423-L493 WeakPolarHBondContact CB-O 3.45Å; V423-L493 HydrophobicContact CG2-CB 4.44Å; T424-L493 VanDerWaalsContact O-CA 3.26Å; T424-L493 WeakPolarHBondContact O-CA 3.34Å; I425-L493 HydrophobicContact CG2-CB 3.95Å; Y466-L493 HydrophobicContact CD2-CD1 3.49Å; Y466-L493 VanDerWaalsContact CD2-CD1 3.49Å; Y466-L493 HydrophobicContact CD2-CD2 4.39Å; Y466-L493 HydrophobicContact CE2-CD1 3.86Å; Y466-L493 HydrophobicContact CE2-CD2 4.45Å; Y466-L493 HydrophobicContact CG-CD1 4.07Å; L484-L493 HydrophobicContact CD1-CB 4.32Å; L484-L493 HydrophobicContact CD1-CD1 4.5Å; N489-L493 PolarHBondContact OD1-N 3.2Å; T490-L493 VanDerWaalsContact N-CD2 3.29Å; T490-L493 WeakPolarHBondContact O-CD2 3.42Å; T490-L493 PolarHBondContact O-N 3.41Å
494	A	93.7	Very high	92.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.3	-172.7	0	0	0	0	0	113	A403 S404 E408 L411 N489 G492 Y496	A403-A494 CarbonylContact C-O 3.43Å; A403-A494 VanDerWaalsContact C-O 3.26Å; A403-A494 WeakPolarHBondContact CA-O 3.42Å; A403-A494 PolarHBondContact N-O 2.82Å; S404-A494 PolarHBondContact N-O 2.84Å; S404-A494 VanDerWaalsContact N-O 3.09Å; E408-A494 HydrophobicContact CB-CB 4.39Å; E408-A494 HydrophobicContact CG-CB 3.62Å; L411-A494 HydrophobicContact CD2-CB 4.29Å; N489-A494 WeakPolarHBondContact OD1-CB 3.41Å; N489-A494 PolarHBondContact OD1-N 3.17Å; G492-A494 PolarHBondContact O-N 3.07Å; A494-Y496 VanDerWaalsContact C-N 3.29Å; A494-Y496 PolarHBondContact O-N 3.23Å
495	G	92.8	Very high	92.1	Very high	25 Å²	25	23.6 Å²	23.6	26%	0.258	13%	0.125	S	C	.	.	S	Bend	trans	-70	-24.2	-179.1	0	0	0	0	0	114	G492	G492-G495 PolarHBondContact O-N 2.97Å; G492-G495 VanDerWaalsContact O-N 3.08Å
496	Y	95.2	Very high	90.9	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.031	15%	0.153	C	C	.	.			trans	-148.9	104.3	-178.7	-165.4	-91.5	0	0	0	110.8	S259 P261 Y353 T424 A494 V498	S259-Y496 WeakPolarHBondContact CB-OH 3.36Å; S259-Y496 WeakPolarHBondContact O-CD2 3.16Å; S259-Y496 WeakPolarHBondContact O-CE2 3.32Å; P261-Y496 HydrophobicContact CB-CD2 4.43Å; P261-Y496 HydrophobicContact CG-CD2 3.67Å; P261-Y496 HydrophobicContact CG-CE2 4.14Å; Y353-Y496 WeakPolarHBondContact CB-OH 3.49Å; T424-Y496 HydrophobicContact CG2-CD1 3.68Å; T424-Y496 HydrophobicContact CG2-CG 4.21Å; A494-Y496 VanDerWaalsContact C-N 3.29Å; A494-Y496 PolarHBondContact O-N 3.23Å; Y496-V498 HydrophobicContact CD1-CG2 3.84Å; Y496-V498 HydrophobicContact CE1-CG2 3.26Å
497	A	96	Very high	89.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.6	178.5	0	0	0	0	0	110.3	S400 F401 A403 L411 L414 V421 I422	S400-A497 CarbonylContact C-O 3.53Å; S400-A497 VanDerWaalsContact CA-O 3.27Å; S400-A497 WeakPolarHBondContact CA-O 3.3Å; F401-A497 PolarHBondContact N-O 2.88Å; F401-A497 PolarHBondContact O-N 2.95Å; A403-A497 HydrophobicContact CB-CB 4.23Å; L411-A497 HydrophobicContact CD1-CB 3.94Å; L414-A497 HydrophobicContact CD1-CB 4.22Å; V421-A497 HydrophobicContact CG1-CB 3.8Å; I422-A497 CarbonylContact O-C 3.07Å; I422-A497 WeakPolarHBondContact O-CA 3.46Å
498	V	96.6	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.6	179.2	-173.4	0	0	0	0	110.5	Y353 L356 K399 I422 Y496	Y353-V498 HydrophobicContact CD2-CG1 3.85Å; Y353-V498 HydrophobicContact CG-CG1 4.45Å; L356-V498 HydrophobicContact CD1-CG1 3.56Å; K399-V498 WeakPolarHBondContact O-CA 3.31Å; I422-V498 HydrophobicContact CB-CB 4.16Å; I422-V498 PolarHBondContact N-O 2.82Å; I422-V498 PolarHBondContact O-N 2.95Å; Y496-V498 HydrophobicContact CD1-CG2 3.84Å; Y496-V498 HydrophobicContact CE1-CG2 3.26Å
499	I	94.6	Very high	85.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.5	172.5	65.8	174.4	0	0	0	109.7	W397 A398 K399 F401 L414 W418 V421 L514	W397-I499 HydrophobicContact CH2-CD1 3.71Å; W397-I499 HydrophobicContact CH2-CG1 4.05Å; W397-I499 HydrophobicContact CZ3-CD1 3.98Å; W397-I499 HydrophobicContact CZ3-CG1 3.84Å; A398-I499 WeakPolarHBondContact CA-O 3.45Å; A398-I499 WeakPolarHBondContact CB-O 3.45Å; K399-I499 HydrophobicContact CB-CG1 4.4Å; K399-I499 PolarHBondContact N-O 3.39Å; K399-I499 PolarHBondContact O-N 2.9Å; F401-I499 HydrophobicContact CE2-CD1 3.78Å; F401-I499 HydrophobicContact CE2-CG1 3.91Å; F401-I499 HydrophobicContact CZ-CD1 4.46Å; L414-I499 HydrophobicContact CD2-CD1 4.18Å; W418-I499 HydrophobicContact CD2-CD1 4.2Å; W418-I499 HydrophobicContact CG-CD1 4.03Å; V421-I499 HydrophobicContact CB-CG2 4.38Å; V421-I499 HydrophobicContact CG1-CG2 4.01Å; V421-I499 HydrophobicContact CG2-CG2 3.92Å; I499-L514 HydrophobicContact CD1-CD1 4.37Å; I499-L514 HydrophobicContact CD1-CD2 3.76Å
500	A	94.4	Very high	84.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.4	177.3	0	0	0	0	0	109.4	L311 Q315 L356 V395 W418	L311-A500 HydrophobicContact CD2-CB 3.92Å; L311-A500 HydrophobicContact CG-CB 4.28Å; Q315-A500 VanDerWaalsContact CG-O 3.22Å; Q315-A500 WeakPolarHBondContact CG-O 3.43Å; L356-A500 HydrophobicContact CD1-CB 4.32Å; L356-A500 HydrophobicContact CD2-CB 3.87Å; V395-A500 HydrophobicContact CG1-CB 4.43Å; W418-A500 PolarHBondContact NE1-O 2.89Å
501	C	91.9	Very high	82.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.2	172.6	-169.2	0	0	0	0	110.3	E396 W397 W418 C505	E396-C501 PolarHBondContact N-O 3.06Å; W397-C501 HydrophobicContact CD2-CB 3.64Å; W397-C501 HydrophobicContact CE3-CB 4.33Å; W397-C501 HydrophobicContact CG-CB 3.98Å; W397-C501 HydrophobicContact CH2-CB 4.29Å; W397-C501 HydrophobicContact CZ2-CB 3.69Å; W397-C501 PolarHBondContact O-N 3.03Å; W418-C501 HydrophobicContact CH2-CB 4Å; W418-C501 VanDerWaalsContact CH2-SG 3.59Å; W418-C501 HydrophobicContact CZ2-CB 3.44Å; W418-C501 VanDerWaalsContact CZ2-CB 3.44Å; W418-C501 VanDerWaalsContact CZ2-SG 3.51Å; C501-C505 VanDerWaalsContact C-SG 3.54Å; C501-C505 HydrophobicContact CB-CB 3.86Å; C501-C505 WeakPolarHBondContact CB-SG 3.33Å; C501-C505 WeakPolarHBondContact SG-CA 3.43Å; C501-C505 WeakPolarHBondContact SG-CB 3.09Å; C501-C505 CovalentContact SG-SG 2.01Å; C501-C505 PolarHBondContact SG-SG 2.82Å
502	T	92.6	Very high	81.3	Confident	9 Å²	9	37.3 Å²	37.3	6%	0.055	22%	0.218	C	C	.	.			trans	-120.8	-9.1	-178.1	67.7	0	0	0	0	115	Q315 Y316 D319 Q394	Q315-T502 HydrophobicContact CB-CG2 4.23Å; Q315-T502 HydrophobicContact CG-CG2 4.25Å; Y316-T502 VanDerWaalsContact CA-OG1 3.29Å; Y316-T502 WeakPolarHBondContact CA-OG1 3.29Å; D319-T502 WeakPolarHBondContact OD2-CA 3.44Å; D319-T502 WeakPolarHBondContact OD2-CB 3.29Å; D319-T502 PolarHBondContact OD2-N 3.11Å; D319-T502 PolarHBondContact OD2-OG1 3.28Å; Q394-T502 VanDerWaalsContact O-CA 3.28Å; Q394-T502 WeakPolarHBondContact O-CA 3.44Å
503	K	87.2	Confident	79.4	Confident	78 Å²	78	38.1 Å²	38.1	34%	0.339	22%	0.221	S	C	.	.	S	Bend	trans	-156.5	145.9	178.6	179.8	-178.3	172.2	-170.8	0	112.9	D319 H320 C505	D319-K503 HydrophobicContact CB-CB 4.1Å; D319-K503 PolarHBondContact OD2-N 3.06Å; H320-K503 WeakPolarHBondContact NE2-CD 3.31Å; K503-C505 VanDerWaalsContact C-SG 3.51Å; K503-C505 PolarHBondContact N-SG 3.14Å; K503-C505 VanDerWaalsContact N-SG 3.4Å; K503-C505 PolarHBondContact O-N 2.97Å; K503-C505 VanDerWaalsContact O-N 3.13Å; K503-C505 PolarHBondContact O-SG 3.3Å; K503-C505 VanDerWaalsContact O-SG 3.37Å
504	D	77.6	Confident	77.7	Confident	96 Å²	96	38.4 Å²	38.4	51%	0.513	22%	0.222	S	C	.	.	S	Bend	trans	53.5	32.7	172.3	-68.9	-38.3	0	0	0	113.3	G506 K507	D504-G506 VanDerWaalsContact C-N 3.34Å; D504-G506 PolarHBondContact O-N 3.19Å; D504-K507 PolarHBondContact O-N 3.46Å
505	C	80.7	Confident	76.1	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.02	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-72.1	-27.3	-164.9	-62.6	0	0	0	0	113.8	E396 W397 C501 K503 K507 L508	E396-C505 HydrophobicContact CB-CB 3.88Å; E396-C505 VanDerWaalsContact CB-SG 3.52Å; E396-C505 HydrophobicContact CG-CB 4.33Å; E396-C505 VanDerWaalsContact CG-SG 3.58Å; E396-C505 WeakPolarHBondContact OE2-CB 3.23Å; E396-C505 PolarHBondContact OE2-N 3.41Å; E396-C505 PolarHBondContact OE2-SG 3.12Å; W397-C505 VanDerWaalsContact CD1-CB 3.43Å; C501-C505 VanDerWaalsContact C-SG 3.54Å; C501-C505 HydrophobicContact CB-CB 3.86Å; C501-C505 WeakPolarHBondContact CB-SG 3.33Å; C501-C505 WeakPolarHBondContact SG-CA 3.43Å; C501-C505 WeakPolarHBondContact SG-CB 3.09Å; C501-C505 CovalentContact SG-SG 2.01Å; C501-C505 PolarHBondContact SG-SG 2.82Å; K503-C505 VanDerWaalsContact C-SG 3.51Å; K503-C505 PolarHBondContact N-SG 3.14Å; K503-C505 VanDerWaalsContact N-SG 3.4Å; K503-C505 PolarHBondContact O-N 2.97Å; K503-C505 VanDerWaalsContact O-N 3.13Å; K503-C505 PolarHBondContact O-SG 3.3Å; K503-C505 VanDerWaalsContact O-SG 3.37Å; C505-K507 PolarHBondContact O-N 3.16Å; C505-K507 VanDerWaalsContact O-N 3.17Å; C505-L508 PolarHBondContact O-N 3.44Å
506	G	68.8	Low	74.5	Confident	67 Å²	67	41.2 Å²	41.2	69%	0.691	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-66.2	-12.2	178	0	0	0	0	0	114.7	D504 L508	D504-G506 VanDerWaalsContact C-N 3.34Å; D504-G506 PolarHBondContact O-N 3.19Å; G506-L508 VanDerWaalsContact C-N 3.31Å
507	K	58.3	Low	72.8	Confident	167 Å²	167	43 Å²	43	73%	0.726	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-81.1	-11.4	171.6	-68.3	-178.2	-178.6	171.6	0	113	D504 C505	D504-K507 PolarHBondContact O-N 3.46Å; C505-K507 PolarHBondContact O-N 3.16Å; C505-K507 VanDerWaalsContact O-N 3.17Å
508	L	57.8	Low	71.6	Confident	41 Å²	41	43.8 Å²	43.8	22%	0.215	26%	0.257	C	S	.	.			trans	-124.8	16.8	-161.1	-48.8	172.2	0	0	0	113.2	W418 C505 G506 D510 V513	W418-L508 HydrophobicContact CH2-CB 4.19Å; W418-L508 HydrophobicContact CH2-CD1 3.59Å; W418-L508 HydrophobicContact CZ3-CB 3.98Å; W418-L508 HydrophobicContact CZ3-CD1 3.56Å; W418-L508 HydrophobicContact CZ3-CG 4.34Å; C505-L508 PolarHBondContact O-N 3.44Å; G506-L508 VanDerWaalsContact C-N 3.31Å; L508-D510 VanDerWaalsContact C-N 3.25Å; L508-D510 PolarHBondContact O-N 2.85Å; L508-V513 HydrophobicContact CB-CG1 4.05Å; L508-V513 HydrophobicContact CD2-CG1 3.27Å; L508-V513 HydrophobicContact CG-CG1 4.23Å
509	D	58.6	Low	70.6	Confident	96 Å²	96	45 Å²	45	51%	0.513	26%	0.263	S	S	.	.			trans	-71.3	-15.8	-177.8	-86.2	-23.8	0	0	0	114.5	K399	K399-D509 PolarHBondContact NZ-O 3.35Å; K399-D509 VanDerWaalsContact NZ-O 3.14Å
510	D	63.2	Low	69.7	Low	99 Å²	99	45.2 Å²	45.2	53%	0.529	27%	0.265	S	S	.	.	S	Bend	trans	-77.1	122	172.5	-178.6	-0.6	0	0	0	110	L508 A512 V513	L508-D510 VanDerWaalsContact C-N 3.25Å; L508-D510 PolarHBondContact O-N 2.85Å; D510-A512 PolarHBondContact O-N 3.47Å; D510-A512 VanDerWaalsContact O-N 3.08Å; D510-A512 VanDerWaalsContact OD1-CB 3.24Å; D510-A512 WeakPolarHBondContact OD1-CB 3.48Å; D510-A512 PolarHBondContact OD1-N 3.08Å; D510-V513 HydrophobicContact CB-CG2 3.88Å; D510-V513 WeakPolarHBondContact O-CA 3.5Å; D510-V513 VanDerWaalsContact O-CB 3.23Å; D510-V513 WeakPolarHBondContact O-CB 3.37Å; D510-V513 PolarHBondContact O-N 3.31Å
511	D	59.6	Low	68.9	Low	36 Å²	36	50.2 Å²	50.2	19%	0.193	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.5	176.4	-66.3	-25.3	0	0	0	112	K399 V513 L514	K399-D511 IonicContact NZ-OD1 2.92Å; K399-D511 PolarHBondContact NZ-OD1 2.7Å; D511-V513 VanDerWaalsContact C-N 3.25Å; D511-V513 PolarHBondContact O-N 2.82Å; D511-L514 WeakPolarHBondContact O-CB 3.26Å; D511-L514 PolarHBondContact O-N 3.11Å
512	A	58.2	Low	68.2	Low	46 Å²	46	55.8 Å²	55.8	38%	0.38	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.1	170.3	0	0	0	0	0	113.1	D510 L515 S516	D510-A512 PolarHBondContact O-N 3.47Å; D510-A512 VanDerWaalsContact O-N 3.08Å; D510-A512 VanDerWaalsContact OD1-CB 3.24Å; D510-A512 WeakPolarHBondContact OD1-CB 3.48Å; D510-A512 PolarHBondContact OD1-N 3.08Å; A512-L515 WeakPolarHBondContact O-CB 3.43Å; A512-L515 PolarHBondContact O-N 3.36Å; A512-S516 PolarHBondContact O-N 2.81Å
513	V	54.9	Low	67.7	Low	29 Å²	29	55.4 Å²	55.4	18%	0.176	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-76.6	-30	178.3	177.1	0	0	0	0	112.1	L508 D510 D511 L515 S516	L508-V513 HydrophobicContact CB-CG1 4.05Å; L508-V513 HydrophobicContact CD2-CG1 3.27Å; L508-V513 HydrophobicContact CG-CG1 4.23Å; D510-V513 HydrophobicContact CB-CG2 3.88Å; D510-V513 WeakPolarHBondContact O-CA 3.5Å; D510-V513 VanDerWaalsContact O-CB 3.23Å; D510-V513 WeakPolarHBondContact O-CB 3.37Å; D510-V513 PolarHBondContact O-N 3.31Å; D511-V513 VanDerWaalsContact C-N 3.25Å; D511-V513 PolarHBondContact O-N 2.82Å; V513-L515 PolarHBondContact O-N 3.45Å; V513-S516 PolarHBondContact O-N 2.76Å; V513-S516 PolarHBondContact O-OG 2.77Å
514	L	58.5	Low	67.3	Low	6 Å²	6	52.3 Å²	52.3	3%	0.031	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-54.9	-10.7	166.2	-64.8	173.1	0	0	0	112.3	F401 L414 N417 W418 I499 D511	F401-L514 HydrophobicContact CE1-CD1 4.41Å; F401-L514 HydrophobicContact CE2-CD1 4.44Å; F401-L514 HydrophobicContact CZ-CD1 3.77Å; L414-L514 HydrophobicContact CD2-CD1 3.86Å; N417-L514 WeakPolarHBondContact CB-O 3.48Å; N417-L514 PolarHBondContact ND2-O 3.48Å; W418-L514 HydrophobicContact CD2-CD2 3.89Å; W418-L514 HydrophobicContact CE3-CD2 3.37Å; W418-L514 HydrophobicContact CG-CD2 4.38Å; W418-L514 HydrophobicContact CZ3-CD2 3.91Å; I499-L514 HydrophobicContact CD1-CD1 4.37Å; I499-L514 HydrophobicContact CD1-CD2 3.76Å; D511-L514 WeakPolarHBondContact O-CB 3.26Å; D511-L514 PolarHBondContact O-N 3.11Å
515	L	59.9	Low	67.2	Low	11 Å²	11	51.4 Å²	51.4	6%	0.058	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-112.6	-14.6	-179.8	-55.1	-175.9	0	0	0	115.1	V267 L272 R275 A413 N417 A512 V513	V267-L515 HydrophobicContact CB-CD1 3.93Å; V267-L515 HydrophobicContact CG1-CD1 3.28Å; V267-L515 HydrophobicContact CG2-CD1 3.37Å; V267-L515 HydrophobicContact CG2-CG 4.28Å; L272-L515 HydrophobicContact CD2-CD2 4.47Å; R275-L515 WeakPolarHBondContact CD-O 3.05Å; R275-L515 PolarHBondContact NE-O 3.18Å; R275-L515 PolarHBondContact NH1-O 3.27Å; A413-L515 HydrophobicContact CB-CD2 3.44Å; A413-L515 VanDerWaalsContact CB-CD2 3.44Å; N417-L515 WeakPolarHBondContact ND2-CA 3.01Å; A512-L515 WeakPolarHBondContact O-CB 3.43Å; A512-L515 PolarHBondContact O-N 3.36Å; V513-L515 PolarHBondContact O-N 3.45Å
516	S	59.3	Low	66.7	Low	74 Å²	74	55.5 Å²	55.5	52%	0.517	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-38.3	-167.7	69.3	0	0	0	0	114.2	A512 V513	A512-S516 PolarHBondContact O-N 2.81Å; V513-S516 PolarHBondContact O-N 2.76Å; V513-S516 PolarHBondContact O-OG 2.77Å
517	S	60.9	Low	66.9	Low	46 Å²	46	53.9 Å²	53.9	32%	0.322	29%	0.289	S	S	.	.			trans	-110.8	127	-179.4	54.8	0	0	0	0	111.3	N417	N417-S517 WeakPolarHBondContact CA-O 3.37Å; N417-S517 WeakPolarHBondContact CB-O 3.13Å; N417-S517 PolarHBondContact OD1-O 3.46Å
518	S	69.1	Low	67.4	Low	16 Å²	16	52.5 Å²	52.5	11%	0.112	28%	0.283	C	S	.	.			trans	-98.8	99.3	175.5	178.7	0	0	0	0	111.7	V416 N417 A520 K521 F522	V416-S518 WeakPolarHBondContact CG1-OG 3.45Å; V416-S518 PolarHBondContact O-OG 2.91Å; N417-S518 WeakPolarHBondContact OD1-CA 3.48Å; N417-S518 WeakPolarHBondContact OD1-CB 3.46Å; S518-A520 PolarHBondContact O-N 3.24Å; S518-K521 WeakPolarHBondContact O-CB 3.33Å; S518-K521 PolarHBondContact O-N 2.79Å; S518-K521 PolarHBondContact OG-N 2.78Å; S518-F522 WeakPolarHBondContact O-CD2 3.15Å; S518-F522 PolarHBondContact O-N 2.88Å
519	N	76	Confident	67.9	Low	24 Å²	24	54.5 Å²	54.5	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-53.6	-33.5	170.5	-73.3	-15.8	0	0	0	111.8	W285 V318 N417 W418 K521 F522 C523	W285-N519 HydrophobicContact CH2-CB 3.66Å; W285-N519 HydrophobicContact CZ2-CB 4.35Å; V318-N519 HydrophobicContact CG1-CB 3.9Å; V318-N519 WeakPolarHBondContact CG1-ND2 3.22Å; N417-N519 WeakPolarHBondContact O-CB 3.19Å; N417-N519 VanDerWaalsContact O-CG 3.23Å; N417-N519 PolarHBondContact O-N 3.38Å; N417-N519 PolarHBondContact O-ND2 3.04Å; W418-N519 PolarHBondContact O-ND2 3.41Å; N519-K521 VanDerWaalsContact C-N 3.34Å; N519-K521 PolarHBondContact O-N 3.28Å; N519-F522 PolarHBondContact O-N 3.37Å; N519-C523 PolarHBondContact O-N 3.4Å; N519-C523 VanDerWaalsContact O-N 3.12Å
520	A	75.6	Confident	67.9	Low	6 Å²	6	51.4 Å²	51.4	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-36.1	174.4	0	0	0	0	0	113.5	F283 W285 V416 S518 F522 T524	F283-A520 HydrophobicContact CD1-CB 4.23Å; F283-A520 HydrophobicContact CD2-CB 4.02Å; F283-A520 HydrophobicContact CE1-CB 3.73Å; F283-A520 HydrophobicContact CE2-CB 3.51Å; F283-A520 HydrophobicContact CG-CB 4.36Å; F283-A520 HydrophobicContact CZ-CB 3.35Å; W285-A520 HydrophobicContact CH2-CB 4.29Å; W285-A520 HydrophobicContact CZ2-CB 4.41Å; V416-A520 HydrophobicContact CB-CB 4.49Å; V416-A520 HydrophobicContact CG1-CB 3.77Å; V416-A520 VanDerWaalsContact O-CB 3.29Å; V416-A520 WeakPolarHBondContact O-CB 3.48Å; V416-A520 PolarHBondContact O-N 3.44Å; V416-A520 VanDerWaalsContact O-N 3.11Å; S518-A520 PolarHBondContact O-N 3.24Å; A520-F522 VanDerWaalsContact C-N 3.34Å; A520-T524 WeakPolarHBondContact O-CB 3.27Å; A520-T524 VanDerWaalsContact O-CG2 3.24Å; A520-T524 WeakPolarHBondContact O-CG2 3.14Å; A520-T524 PolarHBondContact O-N 3.31Å; A520-T524 PolarHBondContact O-OG1 2.66Å
521	K	77.9	Confident	67.7	Low	105 Å²	105	53.9 Å²	53.9	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-42.5	174.1	-73.7	-179	-175.4	174.6	0	110.7	S518 N519 T524 V525	S518-K521 WeakPolarHBondContact O-CB 3.33Å; S518-K521 PolarHBondContact O-N 2.79Å; S518-K521 PolarHBondContact OG-N 2.78Å; N519-K521 VanDerWaalsContact C-N 3.34Å; N519-K521 PolarHBondContact O-N 3.28Å; K521-T524 WeakPolarHBondContact CA-OG1 3.45Å; K521-T524 PolarHBondContact O-N 3.01Å; K521-T524 PolarHBondContact O-OG1 3.2Å; K521-V525 WeakPolarHBondContact O-CB 3.3Å; K521-V525 VanDerWaalsContact O-CG2 3.26Å; K521-V525 WeakPolarHBondContact O-CG2 3.49Å; K521-V525 PolarHBondContact O-N 3.15Å
522	F	77.9	Confident	67.6	Low	117 Å²	117	55 Å²	55	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-49.2	178.4	-68.7	-75.6	0	0	0	112.5	W323 S518 N519 A520 T524 V525 H526	W323-F522 HydrophobicContact CZ2-CB 4.15Å; S518-F522 WeakPolarHBondContact O-CD2 3.15Å; S518-F522 PolarHBondContact O-N 2.88Å; N519-F522 PolarHBondContact O-N 3.37Å; A520-F522 VanDerWaalsContact C-N 3.34Å; F522-T524 PolarHBondContact O-N 3.29Å; F522-V525 PolarHBondContact O-N 2.55Å; F522-H526 WeakPolarHBondContact O-CB 3.34Å; F522-H526 PolarHBondContact O-N 2.04Å
523	C	82.8	Confident	67.2	Low	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-50	174.3	159.7	0	0	0	0	111.6	W285 C288 W323 N519 V525 H526 N527	W285-C523 HydrophobicContact CZ3-CB 4.28Å; C288-C523 WeakPolarHBondContact CA-SG 3.35Å; C288-C523 HydrophobicContact CB-CB 3.94Å; C288-C523 WeakPolarHBondContact CB-SG 3.47Å; C288-C523 WeakPolarHBondContact SG-CB 3.46Å; C288-C523 CovalentContact SG-SG 2.01Å; C288-C523 PolarHBondContact SG-SG 2.91Å; W323-C523 HydrophobicContact CD2-CB 3.98Å; W323-C523 HydrophobicContact CE3-CB 3.7Å; W323-C523 HydrophobicContact CH2-CB 3.91Å; W323-C523 HydrophobicContact CZ2-CB 4.15Å; W323-C523 HydrophobicContact CZ3-CB 3.68Å; N519-C523 PolarHBondContact O-N 3.4Å; N519-C523 VanDerWaalsContact O-N 3.12Å; C523-V525 PolarHBondContact O-N 3.22Å; C523-H526 PolarHBondContact O-N 3.01Å; C523-H526 VanDerWaalsContact O-N 3.17Å; C523-N527 WeakPolarHBondContact O-CB 3.31Å; C523-N527 PolarHBondContact O-N 2.92Å
524	T	77.7	Confident	67.1	Low	13 Å²	13	63.6 Å²	63.6	8%	0.08	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-35.2	-172.9	52.9	0	0	0	0	112.9	R280 F283 A520 K521 F522 F528	R280-T524 VanDerWaalsContact NH2-CB 3.25Å; R280-T524 PolarHBondContact NH2-OG1 2.56Å; F283-T524 HydrophobicContact CD2-CG2 4.09Å; F283-T524 HydrophobicContact CE2-CG2 3.97Å; A520-T524 WeakPolarHBondContact O-CB 3.27Å; A520-T524 VanDerWaalsContact O-CG2 3.24Å; A520-T524 WeakPolarHBondContact O-CG2 3.14Å; A520-T524 PolarHBondContact O-N 3.31Å; A520-T524 PolarHBondContact O-OG1 2.66Å; K521-T524 WeakPolarHBondContact CA-OG1 3.45Å; K521-T524 PolarHBondContact O-N 3.01Å; K521-T524 PolarHBondContact O-OG1 3.2Å; F522-T524 PolarHBondContact O-N 3.29Å; T524-F528 WeakPolarHBondContact O-CB 3.34Å; T524-F528 PolarHBondContact O-N 2.77Å; T524-F528 VanDerWaalsContact O-N 3.07Å
525	V	76.6	Confident	66.6	Low	78 Å²	78	70 Å²	70	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-43.5	170.9	172.2	0	0	0	0	110.6	K521 F522 C523 N527 F528 I529	K521-V525 WeakPolarHBondContact O-CB 3.3Å; K521-V525 VanDerWaalsContact O-CG2 3.26Å; K521-V525 WeakPolarHBondContact O-CG2 3.49Å; K521-V525 PolarHBondContact O-N 3.15Å; F522-V525 PolarHBondContact O-N 2.55Å; C523-V525 PolarHBondContact O-N 3.22Å; V525-N527 PolarHBondContact O-N 3.02Å; V525-F528 WeakPolarHBondContact O-CB 2.96Å; V525-F528 PolarHBondContact O-N 2.79Å; V525-F528 VanDerWaalsContact O-N 3.14Å; V525-I529 HydrophobicContact CG1-CD1 3.66Å; V525-I529 HydrophobicContact CG1-CG1 4.26Å; V525-I529 WeakPolarHBondContact O-CG1 3.48Å; V525-I529 PolarHBondContact O-N 3.41Å
526	H	68.3	Low	65.9	Low	89 Å²	89	77 Å²	77	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-43.8	177.2	-173.1	-86.9	0	0	0	112.1	W323 F522 C523 F528 I529 G530	W323-H526 AromaticContact CD1-CD2 3.86Å; W323-H526 AromaticContact CD1-CG 3.51Å; W323-H526 AromaticContact CD1-ND1 3.8Å; W323-H526 HydrophobicContact CG-CB 4.29Å; F522-H526 WeakPolarHBondContact O-CB 3.34Å; F522-H526 PolarHBondContact O-N 2.04Å; C523-H526 PolarHBondContact O-N 3.01Å; C523-H526 VanDerWaalsContact O-N 3.17Å; H526-F528 VanDerWaalsContact C-N 3.28Å; H526-F528 PolarHBondContact O-N 3.11Å; H526-I529 PolarHBondContact O-N 2.95Å; H526-G530 PolarHBondContact O-N 3.09Å
527	N	74.3	Confident	65.4	Low	33 Å²	33	79 Å²	79	18%	0.176	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-36	173.9	-81.2	-7.2	0	0	0	112.2	S287 N324 C523 V525 K531	S287-N527 PolarHBondContact O-ND2 3.44Å; N324-N527 PolarHBondContact ND2-OD1 2.71Å; C523-N527 WeakPolarHBondContact O-CB 3.31Å; C523-N527 PolarHBondContact O-N 2.92Å; V525-N527 PolarHBondContact O-N 3.02Å; N527-K531 VanDerWaalsContact O-CG 3.31Å; N527-K531 WeakPolarHBondContact O-CG 3.09Å; N527-K531 PolarHBondContact O-N 2.9Å
528	F	69.4	Low	64.7	Low	138 Å²	138	81.8 Å²	81.8	61%	0.605	42%	0.417	S	S	*	.	H	α-helix	trans	-69.5	-46.2	175.2	-171.4	-104.9	0	0	0	112.1	T524 V525 H526 K531 I532	T524-F528 WeakPolarHBondContact O-CB 3.34Å; T524-F528 PolarHBondContact O-N 2.77Å; T524-F528 VanDerWaalsContact O-N 3.07Å; V525-F528 WeakPolarHBondContact O-CB 2.96Å; V525-F528 PolarHBondContact O-N 2.79Å; V525-F528 VanDerWaalsContact O-N 3.14Å; H526-F528 VanDerWaalsContact C-N 3.28Å; H526-F528 PolarHBondContact O-N 3.11Å; F528-K531 WeakPolarHBondContact O-CB 3.42Å; F528-K531 PolarHBondContact O-N 2.76Å; F528-I532 HydrophobicContact CD1-CD1 3.72Å; F528-I532 HydrophobicContact CE1-CD1 3.44Å; F528-I532 VanDerWaalsContact CE1-CD1 3.44Å; F528-I532 HydrophobicContact CE1-CG1 4.43Å; F528-I532 HydrophobicContact CZ-CD1 4.1Å; F528-I532 WeakPolarHBondContact O-CG1 3.46Å; F528-I532 PolarHBondContact O-N 3.17Å
529	I	67.6	Low	63.6	Low	83 Å²	83	86.2 Å²	86.2	43%	0.426	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-39.9	177.2	-65.4	170.1	0	0	0	111.3	V525 H526 K531 I532 K533	V525-I529 HydrophobicContact CG1-CD1 3.66Å; V525-I529 HydrophobicContact CG1-CG1 4.26Å; V525-I529 WeakPolarHBondContact O-CG1 3.48Å; V525-I529 PolarHBondContact O-N 3.41Å; H526-I529 PolarHBondContact O-N 2.95Å; I529-K531 VanDerWaalsContact C-N 3.3Å; I529-K531 PolarHBondContact O-N 3.47Å; I529-I532 PolarHBondContact O-N 3.17Å; I529-I532 VanDerWaalsContact O-N 3.12Å; I529-K533 PolarHBondContact O-N 3.48Å
530	G	58.8	Low	62.1	Low	31 Å²	31	92.3 Å²	92.3	32%	0.32	48%	0.475	S	S	.	.	H	α-helix	trans	-58	-42.9	174.2	0	0	0	0	0	111.7	H526 K533 V534	H526-G530 PolarHBondContact O-N 3.09Å; G530-K533 PolarHBondContact O-N 2.92Å; G530-V534 WeakPolarHBondContact O-CG2 3.42Å; G530-V534 PolarHBondContact O-N 3.18Å; G530-V534 VanDerWaalsContact O-N 3.16Å
531	K	59.3	Low	60.5	Low	150 Å²	150	103.3 Å²	103.3	65%	0.652	52%	0.515	S	S	*	.	H	α-helix	trans	-64.1	-38.5	173	-74	178.6	179.8	-172.9	0	112.8	N527 F528 I529 V534 Q535	N527-K531 VanDerWaalsContact O-CG 3.31Å; N527-K531 WeakPolarHBondContact O-CG 3.09Å; N527-K531 PolarHBondContact O-N 2.9Å; F528-K531 WeakPolarHBondContact O-CB 3.42Å; F528-K531 PolarHBondContact O-N 2.76Å; I529-K531 VanDerWaalsContact C-N 3.3Å; I529-K531 PolarHBondContact O-N 3.47Å; K531-V534 PolarHBondContact O-N 3.03Å; K531-Q535 PolarHBondContact O-N 3.2Å; K531-Q535 VanDerWaalsContact O-N 3.14Å
532	I	56.7	Low	59	Low	61 Å²	61	105.9 Å²	105.9	31%	0.313	53%	0.533	S	S	.	.	H	α-helix	trans	-67.1	-39.5	175.2	-66.8	168.4	0	0	0	111.7	F528 I529 V534 Q535 K536	F528-I532 HydrophobicContact CD1-CD1 3.72Å; F528-I532 HydrophobicContact CE1-CD1 3.44Å; F528-I532 VanDerWaalsContact CE1-CD1 3.44Å; F528-I532 HydrophobicContact CE1-CG1 4.43Å; F528-I532 HydrophobicContact CZ-CD1 4.1Å; F528-I532 WeakPolarHBondContact O-CG1 3.46Å; F528-I532 PolarHBondContact O-N 3.17Å; I529-I532 PolarHBondContact O-N 3.17Å; I529-I532 VanDerWaalsContact O-N 3.12Å; I532-V534 VanDerWaalsContact C-N 3.3Å; I532-V534 PolarHBondContact O-N 3.14Å; I532-Q535 CarbonylContact O-C 3.26Å; I532-Q535 WeakPolarHBondContact O-CA 3.44Å; I532-Q535 PolarHBondContact O-N 2.9Å; I532-Q535 VanDerWaalsContact O-N 3.08Å; I532-K536 HydrophobicContact CG2-CD 4.43Å; I532-K536 HydrophobicContact CG2-CG 4.45Å; I532-K536 PolarHBondContact O-N 3.37Å
533	K	50.1	Low	57.6	Low	148 Å²	148	105.3 Å²	105.3	64%	0.643	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-37.9	175.7	-83.7	-174.1	176	-179.2	0	111.7	I529 G530 Q535 K536 V537	I529-K533 PolarHBondContact O-N 3.48Å; G530-K533 PolarHBondContact O-N 2.92Å; K533-Q535 VanDerWaalsContact C-N 3.3Å; K533-Q535 PolarHBondContact O-N 2.04Å; K533-K536 PolarHBondContact O-N 3.23Å; K533-V537 WeakPolarHBondContact O-CG2 3.39Å; K533-V537 PolarHBondContact O-N 3.34Å; K533-V537 VanDerWaalsContact O-N 3.11Å
534	V	53.5	Low	55.5	Low	106 Å²	106	114.8 Å²	114.8	64%	0.642	58%	0.58	S	S	*	*	H	α-helix	trans	-63.6	-37.4	172.5	177.9	0	0	0	0	111	G530 K531 I532	G530-V534 WeakPolarHBondContact O-CG2 3.42Å; G530-V534 PolarHBondContact O-N 3.18Å; G530-V534 VanDerWaalsContact O-N 3.16Å; K531-V534 PolarHBondContact O-N 3.03Å; I532-V534 VanDerWaalsContact C-N 3.3Å; I532-V534 PolarHBondContact O-N 3.14Å
535	Q	47.5	Very low	54	Low	140 Å²	140	121.3 Å²	121.3	65%	0.654	65%	0.65	S	S	*	*	H	α-helix	trans	-71	-36.1	173.9	-77	-177.8	-26.9	0	0	113.8	K531 I532 K533 V537 C538	K531-Q535 PolarHBondContact O-N 3.2Å; K531-Q535 VanDerWaalsContact O-N 3.14Å; I532-Q535 CarbonylContact O-C 3.26Å; I532-Q535 WeakPolarHBondContact O-CA 3.44Å; I532-Q535 PolarHBondContact O-N 2.9Å; I532-Q535 VanDerWaalsContact O-N 3.08Å; K533-Q535 VanDerWaalsContact C-N 3.3Å; K533-Q535 PolarHBondContact O-N 2.04Å; Q535-V537 VanDerWaalsContact C-N 3.33Å; Q535-V537 PolarHBondContact O-N 3.17Å; Q535-C538 PolarHBondContact O-N 2.98Å
536	K	44.9	Very low	52.9	Low	159 Å²	159	123.5 Å²	123.5	69%	0.691	66%	0.659	S	S	*	*	H	α-helix	trans	-73.5	-19.9	178.2	-81.1	-171.4	174.2	-174.5	0	113.9	I532 K533	I532-K536 HydrophobicContact CG2-CD 4.43Å; I532-K536 HydrophobicContact CG2-CG 4.45Å; I532-K536 PolarHBondContact O-N 3.37Å; K533-K536 PolarHBondContact O-N 3.23Å
537	V	48	Very low	52	Low	117 Å²	117	125.3 Å²	125.3	71%	0.709	67%	0.672	S	S	*	*	H	α-helix	trans	-80.2	-16.8	172.3	175.4	0	0	0	0	112.3	K533 Q535	K533-V537 WeakPolarHBondContact O-CG2 3.39Å; K533-V537 PolarHBondContact O-N 3.34Å; K533-V537 VanDerWaalsContact O-N 3.11Å; Q535-V537 VanDerWaalsContact C-N 3.33Å; Q535-V537 PolarHBondContact O-N 3.17Å
538	C	45.9	Very low	50.8	Low	103 Å²	103	130.4 Å²	130.4	70%	0.696	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-6	172.3	-83.5	0	0	0	0	115.1	Q535	Q535-C538 PolarHBondContact O-N 2.98Å
539	V	47	Very low	49.7	Very low	109 Å²	109	129.9 Å²	129.9	66%	0.661	71%	0.705	S	S	*	*	S	Bend	trans	-102.2	-4.9	-176.4	-177.5	0	0	0	0	114
540	L	43.9	Very low	48.6	Very low	153 Å²	153	132.9 Å²	132.9	80%	0.801	72%	0.722	S	S	*	*	S	Bend	trans	-109	17.9	-178.9	-108.3	146.8	0	0	0	115.5
541	R	42.7	Very low	47.9	Very low	237 Å²	237	139.7 Å²	139.7	89%	0.894	75%	0.749	S	S	*	*	S	Bend	trans	-114.2	16.1	170.4	-120.6	-174.9	-172.4	-173.8	2	115.3
542	L	46.9	Very low	47.1	Very low	158 Å²	158	138.9 Å²	138.9	83%	0.827	76%	0.756	S	S	*	*	S	Bend	trans	-123.9	15.8	175.4	-91.2	165.3	0	0	0	114.3
543	V	48.3	Very low	46.4	Very low	105 Å²	105	144.9 Å²	144.9	64%	0.636	79%	0.79	S	S	*	*	S	Bend	trans	-118.5	-7.7	176.2	-174.8	0	0	0	0	114
544	F	37.6	Very low	46	Very low	200 Å²	200	144.7 Å²	144.7	88%	0.877	80%	0.802	S	S	*	*			trans	-145.3	110.7	171.9	-78.9	-80.5	0	0	0	112
545	G	46.5	Very low	45.4	Very low	149 Å²	149	148.2 Å²	148.2	100%	1.536	82%	0.817	S	S	*	*			trans	138	0	-173.8	0	0	0	0	0	108.1

Retrieved 545 of 545 residues in 154.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).