A0A087Y389_POEFO Loading...

DCN1-like protein

Contributes to the neddylation of all cullins by transferring NEDD8 from N-terminally acetylated NEDD8-conjugating E2s enzyme to different cullin C-terminal domain-RBX complexes which is necessary for the activation of cullin-RING E3 ubiquitin ligases (CRLs). May play a role in DNA damage response and may participate in cell proliferation and anchorage-independent cell growth.

AlphaFold DB , UniProt , Accession A0A087Y389, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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	35.2	Very low	33.1	Very low	239 Å²	239	169.3 Å²	169.3	100%	1.177	85%	0.852	S	S	*	*				0	116.5	0	-74.2	-62.1	-174	0	0	109.2
2	P	40.8	Very low	32.6	Very low	125 Å²	125	170.3 Å²	170.3	81%	0.812	85%	0.852	S	S	*	*			trans	-105.6	153.4	179.7	37.5	-30.6	0	0	0	113.2
3	V	35.2	Very low	32.2	Very low	140 Å²	140	167.1 Å²	167.1	85%	0.848	84%	0.839	S	S	*	*			trans	-129.8	102	174.4	-172.5	0	0	0	0	112.8
4	K	35.2	Very low	31.9	Very low	188 Å²	188	167 Å²	167	82%	0.817	83%	0.834	S	S	*	*			trans	11.2	121.4	149	-60.3	169.3	-177.3	174.8	0	118.1
5	K	35	Very low	31.5	Very low	206 Å²	206	160.1 Å²	160.1	90%	0.896	82%	0.822	S	S	*	*				61.2	118.5	75.5	-81.4	-165.8	176.1	-176.7	0	116.8
6	R	31.6	Very low	31.4	Very low	248 Å²	248	161.3 Å²	161.3	94%	0.936	82%	0.822	S	S	*	*			trans	-156.6	109.9	145.5	-88.1	171.2	-173	-171.4	-0.4	106.5
7	K	29.3	Very low	31.2	Very low	209 Å²	209	162.7 Å²	162.7	91%	0.909	82%	0.821	S	S	*	*				77.3	122.3	73.7	-97.6	-161	172.6	-166.6	0	115.5
8	L	32.6	Very low	30.8	Very low	154 Å²	154	161.2 Å²	161.2	81%	0.806	83%	0.827	S	S	*	*			trans	-65.5	168.5	170	-100.6	76.3	0	0	0	113
9	P	33.6	Very low	30.6	Very low	127 Å²	127	161.8 Å²	161.8	83%	0.825	82%	0.822	S	S	*	*				-130	-168	106.2	39.3	-30.7	0	0	0	114.4
10	D	25.9	Very low	30.6	Very low	144 Å²	144	160.9 Å²	160.9	77%	0.77	82%	0.818	S	S	*	*			trans	-123.1	-179.5	-152.9	-174.5	24.8	0	0	0	113.1
11	S	30.1	Very low	30.5	Very low	82 Å²	82	159.7 Å²	159.7	57%	0.573	82%	0.819	S	S	*	*			trans	105.6	113.6	148.1	-50.9	0	0	0	0	121.1
12	E	26.4	Very low	30.4	Very low	182 Å²	182	159.5 Å²	159.5	85%	0.85	81%	0.805	S	S	*	*				79.6	107.6	128.5	-62.6	-174.7	137.9	0	0	124
13	D	27.6	Very low	29.9	Very low	128 Å²	128	159.6 Å²	159.6	68%	0.684	81%	0.807	S	S	*	*				24.6	128.1	127.9	-163	29.6	0	0	0	122.2
14	H	28.1	Very low	29.8	Very low	166 Å²	166	164.2 Å²	164.2	77%	0.769	81%	0.809	S	S	*	*				176.7	124.7	117.3	-97.1	72.1	0	0	0	111.2
15	G	26.4	Very low	29.7	Very low	63 Å²	63	160.7 Å²	160.7	65%	0.649	81%	0.808	S	S	*	*			trans	-83.7	161.1	-173.6	0	0	0	0	0	116
16	H	29.6	Very low	29.6	Very low	180 Å²	180	160.1 Å²	160.1	83%	0.833	81%	0.806	S	S	*	*			trans	-137.8	138.1	168.8	-87.4	94.8	0	0	0	114.9
17	K	27.4	Very low	29.7	Very low	185 Å²	185	154.4 Å²	154.4	80%	0.804	80%	0.801	S	S	*	*			trans	-47.4	147.5	179.3	-59.3	139.3	179.8	163.4	0	114.3
18	C	25	Very low	29.8	Very low	136 Å²	136	155.6 Å²	155.6	92%	0.919	80%	0.8	S	S	*	*			trans	-125.4	140.7	147.7	-158.2	0	0	0	0	110
19	K	26.6	Very low	29.7	Very low	172 Å²	172	153.8 Å²	153.8	75%	0.748	80%	0.798	S	S	*	*			trans	-130.7	140.1	-169.1	-101.8	-171.6	178.3	-175.5	0	111
20	I	30.6	Very low	29.8	Very low	144 Å²	144	156.9 Å²	156.9	74%	0.738	80%	0.801	S	S	*	*			trans	70.8	120.5	152.3	-60.5	161	0	0	0	116.5
21	T	27.6	Very low	30.4	Very low	136 Å²	136	156.6 Å²	156.6	83%	0.834	80%	0.804	S	S	*	*				-150.7	147.5	110.1	-68.9	0	0	0	0	109.7
22	R	34.5	Very low	30.6	Very low	235 Å²	235	163.8 Å²	163.8	89%	0.887	82%	0.819	S	S	*	*			trans	-115.4	113.9	-161.2	173.8	-170.3	-174.7	-176.8	3.1	109.8
23	C	30.6	Very low	31.2	Very low	126 Å²	126	158.6 Å²	158.6	85%	0.851	81%	0.814	S	S	*	*			trans	-114	140.7	174.2	-78.1	0	0	0	0	112.8
24	R	32.3	Very low	31.8	Very low	237 Å²	237	159 Å²	159	89%	0.894	82%	0.821	S	S	*	*			trans	-56.6	143.3	-157.9	-68.5	166.5	174.8	-175.8	-3.4	116.3
25	S	32.8	Very low	32.3	Very low	114 Å²	114	159.8 Å²	159.8	80%	0.797	82%	0.822	S	S	*	*			trans	-71.1	137.2	171.3	48.5	0	0	0	0	113.7
26	F	33.2	Very low	33.1	Very low	195 Å²	195	162.5 Å²	162.5	86%	0.855	83%	0.828	S	S	*	*			trans	-119.9	132.2	154.5	-77	-88.3	0	0	0	108.7	R28	F26-R28 PolarHBondContact O-N 3.42Å
27	P	34.5	Very low	33.6	Very low	128 Å²	128	162.2 Å²	162.2	83%	0.831	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-77.7	119.1	-178.4	30.1	-32.5	0	0	0	111.1
28	R	29.8	Very low	34.5	Very low	234 Å²	234	156 Å²	156	88%	0.883	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.8	138.4	171.3	-150.1	176.3	-165.4	-160.4	4.1	109.1	F26 Q30	F26-R28 PolarHBondContact O-N 3.42Å; R28-Q30 PolarHBondContact O-N 3.31Å
29	P	31.4	Very low	35.6	Very low	116 Å²	116	154.1 Å²	154.1	75%	0.753	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.1	132.7	-175.9	-24.4	34.1	0	0	0	112.5	V31	P29-V31 PolarHBondContact O-N 3.39Å; P29-V31 VanDerWaalsContact O-N 3.15Å
30	Q	36.1	Very low	37.2	Very low	192 Å²	192	155 Å²	155	90%	0.897	82%	0.822	S	S	*	*			trans	-76.2	101	173.1	-71.7	-137	-21.2	0	0	110.5	R28 R32	R28-Q30 PolarHBondContact O-N 3.31Å; Q30-R32 PolarHBondContact O-N 3.15Å
31	V	38.2	Very low	39.2	Very low	138 Å²	138	157.2 Å²	157.2	84%	0.836	82%	0.821	S	S	*	*			trans	-68.3	116.6	160.5	-180	0	0	0	0	107.3	P29 G33	P29-V31 PolarHBondContact O-N 3.39Å; P29-V31 VanDerWaalsContact O-N 3.15Å; V31-G33 PolarHBondContact O-N 3.12Å; V31-G33 VanDerWaalsContact O-N 3.12Å
32	R	34.1	Very low	42.1	Very low	233 Å²	233	159 Å²	159	88%	0.879	82%	0.82	S	S	*	*			trans	-55.4	117.7	174.5	-85.1	179.7	168.4	176.1	-4	109.2	Q30 V34	Q30-R32 PolarHBondContact O-N 3.15Å; R32-V34 PolarHBondContact O-N 3.31Å; R32-V34 VanDerWaalsContact O-N 3.1Å
33	G	38.2	Very low	45	Very low	73 Å²	73	149.8 Å²	149.8	75%	0.753	79%	0.786	S	S	*	*			trans	-64	110	172.7	0	0	0	0	0	110.7	V31 K35	V31-G33 PolarHBondContact O-N 3.12Å; V31-G33 VanDerWaalsContact O-N 3.12Å; G33-K35 PolarHBondContact O-N 3.1Å
34	V	40.4	Very low	48.1	Very low	135 Å²	135	145.7 Å²	145.7	82%	0.818	76%	0.759	S	S	*	*			trans	-66.3	117.4	161.3	177.8	0	0	0	0	106.5	R32 P36	R32-V34 PolarHBondContact O-N 3.31Å; R32-V34 VanDerWaalsContact O-N 3.1Å; V34-P36 WeakPolarHBondContact O-CD 3.35Å
35	K	38.3	Very low	51.2	Low	183 Å²	183	136.1 Å²	136.1	80%	0.796	74%	0.735	S	S	*	*			trans	-66.6	123.6	172.6	-71.3	-179.2	176.4	-179.9	0	108.7	G33 N37	G33-K35 PolarHBondContact O-N 3.1Å; K35-N37 PolarHBondContact O-N 3.05Å; K35-N37 VanDerWaalsContact O-N 3.14Å
36	P	42.8	Very low	54.2	Low	121 Å²	121	139.4 Å²	139.4	79%	0.786	73%	0.734	S	S	*	*			trans	-67.1	111.7	162.2	-11.2	27.6	0	0	0	107.2	V34 G38	V34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-G38 VanDerWaalsContact C-N 3.31Å; P36-G38 PolarHBondContact O-N 3.14Å
37	N	41.2	Very low	57.2	Low	174 Å²	174	134.5 Å²	134.5	93%	0.93	71%	0.713	S	S	*	*			trans	-82.5	84.9	176.8	-142.3	23.9	0	0	0	108	K35	K35-N37 PolarHBondContact O-N 3.05Å; K35-N37 VanDerWaalsContact O-N 3.14Å
38	G	45.6	Very low	60.2	Low	54 Å²	54	128.4 Å²	128.4	56%	0.557	67%	0.673	S	S	*	*	S	Bend	trans	174.3	105.1	-176.3	0	0	0	0	0	108.7	P36 E40	P36-G38 VanDerWaalsContact C-N 3.31Å; P36-G38 PolarHBondContact O-N 3.14Å; G38-E40 VanDerWaalsContact C-N 3.31Å; G38-E40 PolarHBondContact O-N 3.34Å
39	A	49.7	Very low	63.4	Low	96 Å²	96	119.6 Å²	119.6	79%	0.793	64%	0.643	S	S	*	*			trans	-71.6	92.6	172	0	0	0	0	0	108.2	R41	A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 2.84Å
40	E	58.2	Low	66.5	Low	191 Å²	191	117.2 Å²	117.2	89%	0.893	63%	0.633	S	S	*	*			trans	-54.6	101.9	159.6	-77.7	-163.8	146.3	0	0	107	G38 Q42	G38-E40 VanDerWaalsContact C-N 3.31Å; G38-E40 PolarHBondContact O-N 3.34Å; E40-Q42 PolarHBondContact O-N 2.93Å
41	R	73.4	Confident	69.4	Low	190 Å²	190	109 Å²	109	72%	0.717	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.7	134.4	175.6	-68	174.1	173.4	175	-5.5	106.2	A39 R117	A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 2.84Å; R41-R117 PolarHBondContact O-NH2 3.13Å
42	Q	88.4	Confident	72.2	Confident	175 Å²	175	102.5 Å²	102.5	82%	0.818	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61.8	160.2	176	-163.5	170.7	14.8	0	0	110.9	E40 R117	E40-Q42 PolarHBondContact O-N 2.93Å; Q42-R117 PolarHBondContact O-NH2 2.97Å
43	F	94.8	Very high	75.1	Confident	40 Å²	40	96.2 Å²	96.2	18%	0.175	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-56.7	137.9	169.5	173.5	-93.1	0	0	0	112	C48 T108 C112 D113	F43-C48 HydrophobicContact CE2-CB 3.92Å; F43-C48 HydrophobicContact CZ-CB 3.88Å; F43-T108 HydrophobicContact CD1-CG2 4.43Å; F43-T108 HydrophobicContact CE1-CG2 3.9Å; F43-T108 WeakPolarHBondContact CE1-OG1 3.46Å; F43-T108 HydrophobicContact CZ-CG2 4.23Å; F43-T108 WeakPolarHBondContact CZ-OG1 3.42Å; F43-C112 WeakPolarHBondContact CE2-O 3.45Å; F43-D113 WeakPolarHBondContact CA-OD2 3.41Å; F43-D113 HydrophobicContact CD2-CB 3.84Å; F43-D113 HydrophobicContact CE2-CB 3.9Å
44	S	97	Very high	77.8	Confident	41 Å²	41	97.5 Å²	97.5	29%	0.287	52%	0.52	S	S	.	.			trans	-128.9	107.1	177.3	-171.8	0	0	0	0	111.2	K46 K47 C48 D113	S44-K46 PolarHBondContact O-N 3.07Å; S44-K46 VanDerWaalsContact O-N 3.11Å; S44-K47 WeakPolarHBondContact O-CB 3.45Å; S44-K47 PolarHBondContact O-N 2.66Å; S44-C48 PolarHBondContact O-N 3.46Å; S44-D113 PolarHBondContact N-OD2 3.49Å
45	G	96.3	Very high	80.4	Confident	36 Å²	36	91.6 Å²	91.6	37%	0.371	48%	0.483	S	S	.	.	H	α-helix	trans	-56.6	-28.5	175.6	0	0	0	0	0	113.8	C48 L49	G45-C48 PolarHBondContact O-N 3.42Å; G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 PolarHBondContact O-N 2.94Å
46	K	96.3	Very high	82.9	Confident	183 Å²	183	83 Å²	83	80%	0.796	45%	0.446	S	S	*	.	H	α-helix	trans	-65.3	-40.7	173	-68.5	-174	179.8	-178.3	0	112.3	S44 A50	S44-K46 PolarHBondContact O-N 3.07Å; S44-K46 VanDerWaalsContact O-N 3.11Å; K46-A50 PolarHBondContact O-N 2.84Å; K46-A50 VanDerWaalsContact O-N 3.1Å
47	K	97.3	Very high	84.6	Confident	91 Å²	91	80 Å²	80	40%	0.396	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-45.7	174.3	-69.1	-175.6	178.7	-177.4	0	111.3	S44 L49 A50 W51 D113	S44-K47 WeakPolarHBondContact O-CB 3.45Å; S44-K47 PolarHBondContact O-N 2.66Å; K47-L49 PolarHBondContact O-N 2.76Å; K47-A50 PolarHBondContact O-N 3.21Å; K47-A50 VanDerWaalsContact O-N 3.09Å; K47-W51 WeakPolarHBondContact O-CB 3.43Å; K47-W51 PolarHBondContact O-N 2.78Å; K47-D113 HydrophobicContact CB-CB 4.01Å
48	C	97.6	Very high	86.3	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-56.6	-39.4	177.4	-170.7	0	0	0	0	112	F43 S44 G45 F52 L104 M107 D113	F43-C48 HydrophobicContact CE2-CB 3.92Å; F43-C48 HydrophobicContact CZ-CB 3.88Å; S44-C48 PolarHBondContact O-N 3.46Å; G45-C48 PolarHBondContact O-N 3.42Å; C48-F52 PolarHBondContact O-N 3.38Å; C48-L104 HydrophobicContact CB-CD2 4.21Å; C48-M107 VanDerWaalsContact SG-CB 3.5Å; C48-D113 HydrophobicContact CB-CB 3.99Å
49	L	96.6	Very high	87.5	Confident	50 Å²	50	80.3 Å²	80.3	26%	0.262	44%	0.436	S	S	.	.	H	α-helix	trans	-69.3	-43.3	174.5	-179.1	54.9	0	0	0	112.9	G45 K47 W51 F52 H53 K100 L104	G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 PolarHBondContact O-N 2.94Å; K47-L49 PolarHBondContact O-N 2.76Å; L49-W51 VanDerWaalsContact C-N 3.27Å; L49-W51 PolarHBondContact O-N 3.03Å; L49-F52 HydrophobicContact CD1-CD1 4.49Å; L49-F52 PolarHBondContact O-N 3.17Å; L49-H53 WeakPolarHBondContact CD1-NE2 3.5Å; L49-H53 PolarHBondContact O-CD2 2.62Å; L49-H53 PolarHBondContact O-N 3.17Å; L49-K100 HydrophobicContact CD1-CD 4.06Å; L49-K100 HydrophobicContact CD1-CG 4.31Å; L49-L104 HydrophobicContact CB-CD2 4.05Å; L49-L104 HydrophobicContact CD1-CD1 4.31Å; L49-L104 HydrophobicContact CD1-CD2 4.48Å
50	A	96.2	Very high	89.3	Confident	65 Å²	65	83.9 Å²	83.9	54%	0.537	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-36.6	174.9	0	0	0	0	0	111.9	K46 K47 H53 K54	K46-A50 PolarHBondContact O-N 2.84Å; K46-A50 VanDerWaalsContact O-N 3.1Å; K47-A50 PolarHBondContact O-N 3.21Å; K47-A50 VanDerWaalsContact O-N 3.09Å; A50-H53 PolarHBondContact O-N 3Å; A50-K54 PolarHBondContact O-N 3.46Å
51	W	96.9	Very high	91	Very high	20 Å²	20	78.2 Å²	78.2	8%	0.076	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-43.6	176	-175.6	43.4	0	0	0	111.8	K47 L49 H53 K54 Y55 F70 W103 M107 C112 T115 L118	K47-W51 WeakPolarHBondContact O-CB 3.43Å; K47-W51 PolarHBondContact O-N 2.78Å; L49-W51 VanDerWaalsContact C-N 3.27Å; L49-W51 PolarHBondContact O-N 3.03Å; W51-H53 VanDerWaalsContact C-N 3.31Å; W51-H53 PolarHBondContact O-N 3.11Å; W51-K54 WeakPolarHBondContact O-CB 3.46Å; W51-K54 PolarHBondContact O-N 3.46Å; W51-K54 VanDerWaalsContact O-N 3.08Å; W51-Y55 AromaticContact CD1-CE2 3.74Å; W51-Y55 AromaticContact NE1-CE2 3.52Å; W51-Y55 VanDerWaalsContact O-CD2 3.29Å; W51-Y55 WeakPolarHBondContact O-CD2 3.24Å; W51-F70 HydrophobicContact CH2-CE2 4.24Å; W51-F70 AromaticContact CZ2-CE2 3.83Å; W51-F70 HydrophobicContact CZ2-CE2 3.83Å; W51-W103 AromaticContact CD2-CZ2 3.7Å; W51-W103 HydrophobicContact CD2-CZ2 3.7Å; W51-W103 AromaticContact CE2-CZ2 3.94Å; W51-W103 AromaticContact CE3-CZ2 3.59Å; W51-W103 HydrophobicContact CE3-CZ2 3.59Å; W51-W103 AromaticContact CE3-NE1 3.87Å; W51-W103 HydrophobicContact CG-CZ2 4.36Å; W51-W103 HydrophobicContact CH2-CH2 4.43Å; W51-W103 AromaticContact CH2-CZ2 3.94Å; W51-W103 HydrophobicContact CH2-CZ2 3.94Å; W51-W103 HydrophobicContact CZ2-CH2 4.4Å; W51-W103 HydrophobicContact CZ2-CZ2 4.07Å; W51-W103 AromaticContact CZ3-CZ2 3.71Å; W51-W103 HydrophobicContact CZ3-CZ2 3.71Å; W51-M107 HydrophobicContact CH2-CE 3.89Å; W51-M107 HydrophobicContact CH2-SD 4.1Å; W51-M107 HydrophobicContact CZ3-CE 3.91Å; W51-M107 HydrophobicContact CZ3-CG 4.17Å; W51-M107 HydrophobicContact CZ3-SD 3.75Å; W51-C112 HydrophobicContact CZ3-CB 4.5Å; W51-T115 PolarHBondContact NE1-OG1 2.71Å; W51-L118 HydrophobicContact CH2-CB 3.95Å; W51-L118 HydrophobicContact CH2-CD2 3.83Å; W51-L118 HydrophobicContact CZ2-CD2 4.38Å
52	F	97.1	Very high	92.1	Very high	1 Å²	1	69.2 Å²	69.2	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-54.8	-46.3	169.5	173.6	-100.1	0	0	0	112.1	C48 L49 K54 Y55 A56 K60 V62 K100 W103	C48-F52 PolarHBondContact O-N 3.38Å; L49-F52 HydrophobicContact CD1-CD1 4.49Å; L49-F52 PolarHBondContact O-N 3.17Å; F52-K54 PolarHBondContact O-N 3.14Å; F52-Y55 PolarHBondContact O-N 3.36Å; F52-A56 HydrophobicContact CD1-CB 3.89Å; F52-A56 HydrophobicContact CD2-CB 4.39Å; F52-A56 HydrophobicContact CE1-CB 3.38Å; F52-A56 HydrophobicContact CE2-CB 3.97Å; F52-A56 HydrophobicContact CG-CB 4.37Å; F52-A56 HydrophobicContact CZ-CB 3.43Å; F52-A56 VanDerWaalsContact CZ-CB 3.43Å; F52-A56 WeakPolarHBondContact O-CB 3.16Å; F52-A56 PolarHBondContact O-N 2.97Å; F52-K60 WeakPolarHBondContact CZ-O 3.11Å; F52-V62 HydrophobicContact CD2-CG2 4.04Å; F52-V62 HydrophobicContact CE2-CG2 3.83Å; F52-K100 HydrophobicContact CD1-CB 4.26Å; F52-K100 HydrophobicContact CD1-CG 4.21Å; F52-K100 HydrophobicContact CE1-CB 3.59Å; F52-K100 HydrophobicContact CE1-CD 4.46Å; F52-K100 HydrophobicContact CE1-CG 3.99Å; F52-K100 HydrophobicContact CE2-CB 4.29Å; F52-K100 HydrophobicContact CZ-CB 3.6Å; F52-K100 HydrophobicContact CZ-CG 4.42Å; F52-W103 HydrophobicContact CB-CD2 4.39Å; F52-W103 HydrophobicContact CB-CG 4.14Å; F52-W103 HydrophobicContact CD2-CB 3.71Å; F52-W103 AromaticContact CD2-CD2 3.83Å; F52-W103 HydrophobicContact CD2-CD2 3.83Å; F52-W103 HydrophobicContact CD2-CE3 4.26Å; F52-W103 AromaticContact CD2-CG 3.59Å; F52-W103 HydrophobicContact CD2-CG 3.59Å; F52-W103 HydrophobicContact CE2-CB 4.15Å; F52-W103 HydrophobicContact CE2-CG 4.47Å; F52-W103 HydrophobicContact CG-CG 4.27Å
53	H	95.3	Very high	92.4	Very high	101 Å²	101	61 Å²	61	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-15.3	178.8	-73.6	-56.3	0	0	0	114.4	L49 A50 W51 Y55	L49-H53 WeakPolarHBondContact CD1-NE2 3.5Å; L49-H53 PolarHBondContact O-CD2 2.62Å; L49-H53 PolarHBondContact O-N 3.17Å; A50-H53 PolarHBondContact O-N 3Å; W51-H53 VanDerWaalsContact C-N 3.31Å; W51-H53 PolarHBondContact O-N 3.11Å; H53-Y55 PolarHBondContact O-N 2.94Å
54	K	94.3	Very high	92.3	Very high	101 Å²	101	62 Å²	62	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-30.7	169.7	-168.6	-164.6	175	-162.7	0	112	A50 W51 F52 D73	A50-K54 PolarHBondContact O-N 3.46Å; W51-K54 WeakPolarHBondContact O-CB 3.46Å; W51-K54 PolarHBondContact O-N 3.46Å; W51-K54 VanDerWaalsContact O-N 3.08Å; F52-K54 PolarHBondContact O-N 3.14Å; K54-D73 IonicContact NZ-OD1 2.64Å; K54-D73 PolarHBondContact NZ-OD1 3.06Å; K54-D73 IonicContact NZ-OD2 2.84Å; K54-D73 PolarHBondContact NZ-OD2 3.13Å
55	Y	94.9	Very high	92	Very high	11 Å²	11	68.4 Å²	68.4	4%	0.043	37%	0.372	C	S	.	.	H	α-helix	trans	-107.3	-42.4	-174.8	-56	-74.4	0	0	0	112.5	W51 F52 H53 G57 A66 K69 F70 D73 W103	W51-Y55 AromaticContact CD1-CE2 3.74Å; W51-Y55 AromaticContact NE1-CE2 3.52Å; W51-Y55 VanDerWaalsContact O-CD2 3.29Å; W51-Y55 WeakPolarHBondContact O-CD2 3.24Å; F52-Y55 PolarHBondContact O-N 3.36Å; H53-Y55 PolarHBondContact O-N 2.94Å; Y55-G57 PolarHBondContact O-N 3.49Å; Y55-A66 VanDerWaalsContact O-CB 3.27Å; Y55-A66 WeakPolarHBondContact O-CB 3.36Å; Y55-K69 HydrophobicContact CE1-CG 4.42Å; Y55-F70 HydrophobicContact CD1-CB 3.87Å; Y55-F70 HydrophobicContact CD2-CD2 4.45Å; Y55-F70 HydrophobicContact CE1-CB 3.81Å; Y55-F70 HydrophobicContact CE1-CD2 4.22Å; Y55-F70 AromaticContact CE2-CD2 3.9Å; Y55-F70 HydrophobicContact CE2-CD2 3.9Å; Y55-F70 HydrophobicContact CG-CB 4.39Å; Y55-F70 AromaticContact CZ-CD2 3.78Å; Y55-D73 WeakPolarHBondContact CE1-OD2 3.48Å; Y55-D73 VanDerWaalsContact CZ-OD2 3.23Å; Y55-D73 PolarHBondContact OH-OD2 3.37Å; Y55-W103 AromaticContact CD2-CH2 3.92Å; Y55-W103 HydrophobicContact CD2-CH2 3.92Å; Y55-W103 HydrophobicContact CD2-CZ2 4.32Å; Y55-W103 HydrophobicContact CE2-CH2 4.06Å; Y55-W103 HydrophobicContact CE2-CZ2 4.38Å
56	A	91.2	Very high	91.9	Very high	2 Å²	2	67.5 Å²	67.5	2%	0.017	36%	0.361	C	S	.	.	S	Bend	trans	-68.7	-7.4	-169.9	0	0	0	0	0	116	F52 E59 K60 M61 V62	F52-A56 HydrophobicContact CD1-CB 3.89Å; F52-A56 HydrophobicContact CD2-CB 4.39Å; F52-A56 HydrophobicContact CE1-CB 3.38Å; F52-A56 HydrophobicContact CE2-CB 3.97Å; F52-A56 HydrophobicContact CG-CB 4.37Å; F52-A56 HydrophobicContact CZ-CB 3.43Å; F52-A56 VanDerWaalsContact CZ-CB 3.43Å; F52-A56 WeakPolarHBondContact O-CB 3.16Å; F52-A56 PolarHBondContact O-N 2.97Å; A56-E59 PolarHBondContact O-N 2.93Å; A56-K60 PolarHBondContact O-N 3.11Å; A56-K60 VanDerWaalsContact O-N 3.1Å; A56-M61 WeakPolarHBondContact CA-O 3.33Å; A56-V62 HydrophobicContact CB-CG2 4.31Å
57	G	78.1	Confident	91.9	Very high	59 Å²	59	59.7 Å²	59.7	61%	0.608	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	-136	171.1	0	0	0	0	0	114.6	Y55	Y55-G57 PolarHBondContact O-N 3.49Å
58	A	77.6	Confident	91.8	Very high	99 Å²	99	61 Å²	61	82%	0.818	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-23.4	174.9	0	0	0	0	0	113.3	K60	A58-K60 VanDerWaalsContact C-N 3.27Å; A58-K60 PolarHBondContact O-N 3.1Å
59	E	71.7	Confident	91.7	Very high	135 Å²	135	66.1 Å²	66.1	63%	0.631	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	-172.4	-56.9	-157.6	141.2	0	0	113.9	A56 M61	A56-E59 PolarHBondContact O-N 2.93Å; E59-M61 HydrophobicContact CB-CG 4.3Å; E59-M61 PolarHBondContact O-N 3.43Å; E59-M61 VanDerWaalsContact O-N 3.13Å
60	K	87.4	Confident	91.7	Very high	170 Å²	170	63.7 Å²	63.7	74%	0.739	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	11.7	-179.2	-51.9	172.4	-176.4	169.8	0	114.2	F52 A56 A58	F52-K60 WeakPolarHBondContact CZ-O 3.11Å; A56-K60 PolarHBondContact O-N 3.11Å; A56-K60 VanDerWaalsContact O-N 3.1Å; A58-K60 VanDerWaalsContact C-N 3.27Å; A58-K60 PolarHBondContact O-N 3.1Å
61	M	93.6	Very high	91.7	Very high	73 Å²	73	60.6 Å²	60.6	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.6	171.7	65.5	-174.2	77.7	0	0	109	A56 E59 G63 Y97 F98	A56-M61 WeakPolarHBondContact CA-O 3.33Å; E59-M61 HydrophobicContact CB-CG 4.3Å; E59-M61 PolarHBondContact O-N 3.43Å; E59-M61 VanDerWaalsContact O-N 3.13Å; M61-G63 PolarHBondContact O-N 2.9Å; M61-Y97 HydrophobicContact CG-CD1 4.47Å; M61-Y97 HydrophobicContact SD-CD1 3.78Å; M61-Y97 HydrophobicContact SD-CE1 4.3Å; M61-F98 WeakPolarHBondContact CA-O 3.45Å
62	V	95.8	Very high	91.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	103.3	168.8	-177.5	0	0	0	0	106.7	F52 A56 A66 M67 Y97 F98 W103	F52-V62 HydrophobicContact CD2-CG2 4.04Å; F52-V62 HydrophobicContact CE2-CG2 3.83Å; A56-V62 HydrophobicContact CB-CG2 4.31Å; V62-A66 HydrophobicContact CG1-CB 3.78Å; V62-M67 HydrophobicContact CG1-CE 4.21Å; V62-Y97 CarbonylContact O-C 3.56Å; V62-Y97 VanDerWaalsContact O-CA 3.24Å; V62-Y97 WeakPolarHBondContact O-CA 3.47Å; V62-F98 HydrophobicContact CB-CB 4.26Å; V62-F98 PolarHBondContact N-O 2.85Å; V62-F98 PolarHBondContact O-N 3.22Å; V62-W103 HydrophobicContact CG2-CE3 4.41Å; V62-W103 HydrophobicContact CG2-CZ3 4.32Å
63	G	94.8	Very high	91.7	Very high	4 Å²	4	68.1 Å²	68.1	4%	0.041	36%	0.361	C	S	.	.			trans	-89.5	-176	172.1	0	0	0	0	0	113	M61 E65 A66 M67 G96	M61-G63 PolarHBondContact O-N 2.9Å; G63-E65 PolarHBondContact O-N 2.65Å; G63-A66 CarbonylContact O-C 3.34Å; G63-A66 PolarHBondContact O-N 3.06Å; G63-M67 PolarHBondContact O-N 2.88Å; G63-G96 CarbonylContact C-O 3.56Å
64	P	92.7	Very high	91.8	Very high	59 Å²	59	63.5 Å²	63.5	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-53.8	-48.6	-173.1	-30.2	36.5	0	0	0	115.3	A66 M67 E68 Y97	P64-A66 VanDerWaalsContact C-N 3.26Å; P64-A66 PolarHBondContact O-N 3.2Å; P64-M67 WeakPolarHBondContact O-CA 3.25Å; P64-M67 VanDerWaalsContact O-CB 3.23Å; P64-M67 WeakPolarHBondContact O-CB 3.32Å; P64-M67 PolarHBondContact O-N 3.46Å; P64-E68 PolarHBondContact O-N 2.93Å; P64-Y97 HydrophobicContact CG-CE2 4.28Å
65	E	91.4	Very high	91.9	Very high	176 Å²	176	61.7 Å²	61.7	82%	0.822	35%	0.35	S	S	*	.	H	α-helix	trans	-60.1	-36.9	177.8	-59.8	179.9	-178.7	0	0	112.4	G63	G63-E65 PolarHBondContact O-N 2.65Å
66	A	94.6	Very high	92	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-77.5	-25	176.3	0	0	0	0	0	112.3	Y55 V62 G63 P64 F70	Y55-A66 VanDerWaalsContact O-CB 3.27Å; Y55-A66 WeakPolarHBondContact O-CB 3.36Å; V62-A66 HydrophobicContact CG1-CB 3.78Å; G63-A66 CarbonylContact O-C 3.34Å; G63-A66 PolarHBondContact O-N 3.06Å; P64-A66 VanDerWaalsContact C-N 3.26Å; P64-A66 PolarHBondContact O-N 3.2Å; A66-F70 WeakPolarHBondContact O-CB 3.28Å; A66-F70 PolarHBondContact O-N 2.93Å
67	M	95.5	Very high	92.1	Very high	18 Å²	18	68.2 Å²	68.2	9%	0.089	38%	0.381	C	S	.	.	H	α-helix	trans	-69.5	-44	175.2	-166.1	67.9	67.6	0	0	111	V62 G63 P64 K69 F70 C71 M83 F98	V62-M67 HydrophobicContact CG1-CE 4.21Å; G63-M67 PolarHBondContact O-N 2.88Å; P64-M67 WeakPolarHBondContact O-CA 3.25Å; P64-M67 VanDerWaalsContact O-CB 3.23Å; P64-M67 WeakPolarHBondContact O-CB 3.32Å; P64-M67 PolarHBondContact O-N 3.46Å; M67-K69 PolarHBondContact O-N 2.91Å; M67-F70 WeakPolarHBondContact O-CB 3.41Å; M67-F70 PolarHBondContact O-N 3.39Å; M67-F70 VanDerWaalsContact O-N 3.13Å; M67-F70 HydrophobicContact SD-CD1 3.91Å; M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.81Å; M67-C71 PolarHBondContact O-SG 3.27Å; M67-M83 HydrophobicContact SD-CE 3.84Å; M67-F98 HydrophobicContact CE-CD2 3.6Å; M67-F98 HydrophobicContact CE-CE1 4.49Å; M67-F98 HydrophobicContact CE-CE2 3.59Å; M67-F98 HydrophobicContact CE-CG 4.08Å; M67-F98 HydrophobicContact CE-CZ 4.05Å; M67-F98 HydrophobicContact SD-CD2 4.13Å; M67-F98 HydrophobicContact SD-CE2 3.69Å; M67-F98 HydrophobicContact SD-CZ 4.33Å
68	E	94.3	Very high	92.8	Very high	118 Å²	118	68.7 Å²	68.7	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-54.3	-54.3	174.5	-70.5	175.6	-172.1	0	0	110.6	P64 F70 C71 D72 P78	P64-E68 PolarHBondContact O-N 2.93Å; E68-F70 VanDerWaalsContact C-N 3.27Å; E68-F70 PolarHBondContact O-N 2.98Å; E68-C71 WeakPolarHBondContact O-CB 3.39Å; E68-C71 PolarHBondContact O-N 3.43Å; E68-C71 VanDerWaalsContact O-N 3.09Å; E68-D72 PolarHBondContact O-N 3.09Å; E68-P78 HydrophobicContact CG-CG 4.48Å
69	K	95.4	Very high	93.5	Very high	108 Å²	108	72.1 Å²	72.1	47%	0.47	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-34.5	176.3	-176.3	-179.2	179.1	-176.9	0	113.7	Y55 M67 D73	Y55-K69 HydrophobicContact CE1-CG 4.42Å; M67-K69 PolarHBondContact O-N 2.91Å; K69-D73 WeakPolarHBondContact O-CB 3.37Å; K69-D73 PolarHBondContact O-N 3.43Å
70	F	97.1	Very high	94.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-41.9	175.7	170.1	-120.3	0	0	0	111.7	W51 Y55 A66 M67 E68 D73 I74 M83 L86 F98 W103 M107 L118	W51-F70 HydrophobicContact CH2-CE2 4.24Å; W51-F70 AromaticContact CZ2-CE2 3.83Å; W51-F70 HydrophobicContact CZ2-CE2 3.83Å; Y55-F70 HydrophobicContact CD1-CB 3.87Å; Y55-F70 HydrophobicContact CD2-CD2 4.45Å; Y55-F70 HydrophobicContact CE1-CB 3.81Å; Y55-F70 HydrophobicContact CE1-CD2 4.22Å; Y55-F70 AromaticContact CE2-CD2 3.9Å; Y55-F70 HydrophobicContact CE2-CD2 3.9Å; Y55-F70 HydrophobicContact CG-CB 4.39Å; Y55-F70 AromaticContact CZ-CD2 3.78Å; A66-F70 WeakPolarHBondContact O-CB 3.28Å; A66-F70 PolarHBondContact O-N 2.93Å; M67-F70 WeakPolarHBondContact O-CB 3.41Å; M67-F70 PolarHBondContact O-N 3.39Å; M67-F70 VanDerWaalsContact O-N 3.13Å; M67-F70 HydrophobicContact SD-CD1 3.91Å; E68-F70 VanDerWaalsContact C-N 3.27Å; E68-F70 PolarHBondContact O-N 2.98Å; F70-D73 PolarHBondContact O-N 2.91Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 4.17Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CE2-CG2 3.75Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; F70-I74 HydrophobicContact CZ-CG2 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.2Å; F70-I74 VanDerWaalsContact O-N 3.13Å; F70-M83 HydrophobicContact CD1-CE 4.05Å; F70-M83 HydrophobicContact CE1-CE 3.9Å; F70-L86 HydrophobicContact CE1-CD2 3.66Å; F70-L86 HydrophobicContact CZ-CD2 3.78Å; F70-F98 HydrophobicContact CE1-CE2 4.09Å; F70-W103 HydrophobicContact CD1-CZ3 4.39Å; F70-W103 AromaticContact CD2-CH2 3.76Å; F70-W103 HydrophobicContact CD2-CH2 3.76Å; F70-W103 HydrophobicContact CD2-CZ3 4.32Å; F70-W103 HydrophobicContact CE1-CH2 4.34Å; F70-W103 HydrophobicContact CE1-CZ3 4.1Å; F70-W103 AromaticContact CE2-CH2 3.44Å; F70-W103 HydrophobicContact CE2-CH2 3.44Å; F70-W103 VanDerWaalsContact CE2-CH2 3.44Å; F70-W103 HydrophobicContact CE2-CZ2 4.38Å; F70-W103 HydrophobicContact CE2-CZ3 4.04Å; F70-W103 HydrophobicContact CG-CH2 4.33Å; F70-W103 HydrophobicContact CG-CZ3 4.48Å; F70-W103 AromaticContact CZ-CH2 3.74Å; F70-W103 HydrophobicContact CZ-CH2 3.74Å; F70-W103 AromaticContact CZ-CZ3 3.9Å; F70-W103 HydrophobicContact CZ-CZ3 3.9Å; F70-M107 HydrophobicContact CZ-CE 4.16Å; F70-L118 HydrophobicContact CE2-CD2 3.91Å; F70-L118 HydrophobicContact CZ-CD2 3.51Å
71	C	97.1	Very high	95.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-45.5	174.5	-65.6	0	0	0	0	111.1	M67 E68 I74 G75 V76 P78 M83	M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.81Å; M67-C71 PolarHBondContact O-SG 3.27Å; E68-C71 WeakPolarHBondContact O-CB 3.39Å; E68-C71 PolarHBondContact O-N 3.43Å; E68-C71 VanDerWaalsContact O-N 3.09Å; C71-I74 WeakPolarHBondContact O-CG1 3.32Å; C71-I74 PolarHBondContact O-N 3.35Å; C71-G75 PolarHBondContact O-N 3.33Å; C71-V76 CarbonylContact C-O 3.56Å; C71-V76 VanDerWaalsContact C-O 3.29Å; C71-V76 HydrophobicContact CB-CG2 4.33Å; C71-V76 VanDerWaalsContact CB-O 3.27Å; C71-V76 WeakPolarHBondContact CB-O 3.1Å; C71-V76 PolarHBondContact O-N 2.65Å; C71-V76 VanDerWaalsContact O-O 3.09Å; C71-P78 HydrophobicContact CB-CG 4.05Å; C71-M83 WeakPolarHBondContact SG-CE 3.35Å
72	D	97.1	Very high	95.2	Very high	123 Å²	123	58 Å²	58	66%	0.658	31%	0.311	S	S	*	.	H	α-helix	trans	-58.4	-50.5	174	-71.8	-18.6	0	0	0	112.1	E68 I74 G75	E68-D72 PolarHBondContact O-N 3.09Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 3.05Å; D72-G75 PolarHBondContact O-N 3.37Å
73	D	97.1	Very high	95.3	Very high	56 Å²	56	58.8 Å²	58.8	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-36.4	179.7	-87.7	-39	0	0	0	112.3	K54 Y55 K69 F70 T115 Q119	K54-D73 IonicContact NZ-OD1 2.64Å; K54-D73 PolarHBondContact NZ-OD1 3.06Å; K54-D73 IonicContact NZ-OD2 2.84Å; K54-D73 PolarHBondContact NZ-OD2 3.13Å; Y55-D73 WeakPolarHBondContact CE1-OD2 3.48Å; Y55-D73 VanDerWaalsContact CZ-OD2 3.23Å; Y55-D73 PolarHBondContact OH-OD2 3.37Å; K69-D73 WeakPolarHBondContact O-CB 3.37Å; K69-D73 PolarHBondContact O-N 3.43Å; F70-D73 PolarHBondContact O-N 2.91Å; D73-T115 WeakPolarHBondContact O-CG2 3.22Å; D73-Q119 PolarHBondContact O-NE2 3.47Å
74	I	96.7	Very high	95.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-88.8	-9	178.1	70.6	-177.4	0	0	0	113.1	F70 C71 D72 V76 M83 T115 L118 Q119	F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 4.17Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CE2-CG2 3.75Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; F70-I74 HydrophobicContact CZ-CG2 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.2Å; F70-I74 VanDerWaalsContact O-N 3.13Å; C71-I74 WeakPolarHBondContact O-CG1 3.32Å; C71-I74 PolarHBondContact O-N 3.35Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 3.05Å; I74-V76 HydrophobicContact CD1-CG2 3.69Å; I74-V76 HydrophobicContact CG1-CG1 4.35Å; I74-V76 HydrophobicContact CG1-CG2 3.73Å; I74-M83 HydrophobicContact CD1-SD 3.82Å; I74-T115 HydrophobicContact CG2-CG2 4.08Å; I74-L118 HydrophobicContact CD1-CD2 4.32Å; I74-L118 HydrophobicContact CG2-CD2 4.04Å; I74-Q119 VanDerWaalsContact C-NE2 3.3Å; I74-Q119 HydrophobicContact CB-CG 4.27Å; I74-Q119 WeakPolarHBondContact O-CG 3.3Å; I74-Q119 PolarHBondContact O-NE2 2.91Å
75	G	96.3	Very high	95.7	Very high	63 Å²	63	56 Å²	56	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	40.1	177.3	0	0	0	0	0	114.3	C71 D72	C71-G75 PolarHBondContact O-N 3.33Å; D72-G75 PolarHBondContact O-N 3.37Å
76	V	96.1	Very high	96	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.085	26%	0.257	C	S	.	.			trans	-132.4	156.1	172.9	-51.4	0	0	0	0	110.5	C71 I74 N80 M83 L122	C71-V76 CarbonylContact C-O 3.56Å; C71-V76 VanDerWaalsContact C-O 3.29Å; C71-V76 HydrophobicContact CB-CG2 4.33Å; C71-V76 VanDerWaalsContact CB-O 3.27Å; C71-V76 WeakPolarHBondContact CB-O 3.1Å; C71-V76 PolarHBondContact O-N 2.65Å; C71-V76 VanDerWaalsContact O-O 3.09Å; I74-V76 HydrophobicContact CD1-CG2 3.69Å; I74-V76 HydrophobicContact CG1-CG1 4.35Å; I74-V76 HydrophobicContact CG1-CG2 3.73Å; V76-N80 HydrophobicContact CB-CB 4.36Å; V76-M83 HydrophobicContact CG2-CG 3.82Å; V76-M83 HydrophobicContact CG2-SD 3.54Å; V76-M83 VanDerWaalsContact CG2-SD 3.54Å; V76-L122 HydrophobicContact CG1-CD1 3.98Å; V76-L122 HydrophobicContact CG1-CD2 4.5Å
77	E	94.8	Very high	96.2	Very high	136 Å²	136	46.9 Å²	46.9	64%	0.636	25%	0.25	S	S	*	.			trans	-77.2	148.4	172	-64.9	163	153.9	0	0	110.6	E79 N80	E77-E79 PolarHBondContact O-N 2.77Å; E77-N80 HydrophobicContact CB-CB 4.43Å; E77-N80 WeakPolarHBondContact O-CB 3.1Å; E77-N80 PolarHBondContact O-N 2.96Å
78	P	92.9	Very high	96.3	Very high	70 Å²	70	49.3 Å²	49.3	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.2	176.1	-26.8	35.2	0	0	0	113.9	E68 C71 N80	E68-P78 HydrophobicContact CG-CG 4.48Å; C71-P78 HydrophobicContact CB-CG 4.05Å; P78-N80 PolarHBondContact O-N 3.12Å
79	E	92.1	Very high	96.5	Very high	170 Å²	170	45.3 Å²	45.3	79%	0.794	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	9.1	176.9	-61.6	-173.2	-177	0	0	113.5	E77 L165	E77-E79 PolarHBondContact O-N 2.77Å; E79-L165 WeakPolarHBondContact O-CD1 3.43Å
80	N	94.9	Very high	96.6	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	22%	0.218	C	C	.	.			trans	-75.1	140	179.3	-162.5	-74.1	0	0	0	111.7	V76 E77 P78 I82 M83	V76-N80 HydrophobicContact CB-CB 4.36Å; E77-N80 HydrophobicContact CB-CB 4.43Å; E77-N80 WeakPolarHBondContact O-CB 3.1Å; E77-N80 PolarHBondContact O-N 2.96Å; P78-N80 PolarHBondContact O-N 3.12Å; N80-I82 PolarHBondContact O-N 2.64Å; N80-I82 PolarHBondContact OD1-N 2.97Å; N80-I82 VanDerWaalsContact OD1-N 3.13Å; N80-M83 WeakPolarHBondContact O-CB 3.48Å; N80-M83 PolarHBondContact O-N 3.35Å
81	I	96.1	Very high	96.6	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.179	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-26.6	-178.4	-171.9	166.7	0	0	0	112.4	M83 L84 V85 L129 L165 L166	I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 3.27Å; I81-L84 WeakPolarHBondContact O-CB 3.34Å; I81-L84 PolarHBondContact O-N 3.16Å; I81-L84 VanDerWaalsContact O-N 3.11Å; I81-V85 WeakPolarHBondContact O-CG2 3.25Å; I81-V85 PolarHBondContact O-N 3.43Å; I81-V85 VanDerWaalsContact O-N 3.09Å; I81-L129 HydrophobicContact CB-CD1 4.5Å; I81-L129 HydrophobicContact CD1-CD1 3.74Å; I81-L129 HydrophobicContact CD1-CD2 3.78Å; I81-L129 HydrophobicContact CD1-CG 4.4Å; I81-L129 HydrophobicContact CG1-CD1 3.87Å; I81-L129 HydrophobicContact CG1-CD2 4.17Å; I81-L129 HydrophobicContact CG2-CD1 3.86Å; I81-L165 HydrophobicContact CB-CD1 3.76Å; I81-L165 HydrophobicContact CB-CD2 4.5Å; I81-L165 HydrophobicContact CB-CG 3.86Å; I81-L165 WeakPolarHBondContact CD1-O 3.42Å; I81-L165 HydrophobicContact CG1-CG 4.22Å; I81-L166 HydrophobicContact CD1-CD2 4.28Å
82	I	96.8	Very high	96.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-23.6	177.6	-57.1	-55	0	0	0	112.6	N80 L84 V85 L86 L122 M125 R126 L129	N80-I82 PolarHBondContact O-N 2.64Å; N80-I82 PolarHBondContact OD1-N 2.97Å; N80-I82 VanDerWaalsContact OD1-N 3.13Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-V85 HydrophobicContact CD1-CG2 4.37Å; I82-V85 PolarHBondContact O-N 3.4Å; I82-L86 VanDerWaalsContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CB 3.47Å; I82-L86 PolarHBondContact O-N 3Å; I82-L122 HydrophobicContact CG2-CD2 3.6Å; I82-M125 HydrophobicContact CD1-CB 4.21Å; I82-M125 HydrophobicContact CG2-CB 4.02Å; I82-M125 HydrophobicContact CG2-SD 4.03Å; I82-R126 HydrophobicContact CD1-CB 4.21Å; I82-R126 HydrophobicContact CD1-CG 3.45Å; I82-R126 VanDerWaalsContact CD1-CG 3.45Å; I82-R126 HydrophobicContact CG1-CG 3.86Å; I82-L129 HydrophobicContact CD1-CD1 3.85Å
83	M	97.4	Very high	96.5	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-35	169.6	-67.9	-55.6	-61.4	0	0	112.1	M67 F70 C71 I74 V76 N80 I81 L86 A87	M67-M83 HydrophobicContact SD-CE 3.84Å; F70-M83 HydrophobicContact CD1-CE 4.05Å; F70-M83 HydrophobicContact CE1-CE 3.9Å; C71-M83 WeakPolarHBondContact SG-CE 3.35Å; I74-M83 HydrophobicContact CD1-SD 3.82Å; V76-M83 HydrophobicContact CG2-CG 3.82Å; V76-M83 HydrophobicContact CG2-SD 3.54Å; V76-M83 VanDerWaalsContact CG2-SD 3.54Å; N80-M83 WeakPolarHBondContact O-CB 3.48Å; N80-M83 PolarHBondContact O-N 3.35Å; I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 3.27Å; M83-L86 HydrophobicContact CE-CD2 4.22Å; M83-L86 HydrophobicContact SD-CD2 4.26Å; M83-A87 WeakPolarHBondContact O-CB 3.36Å; M83-A87 PolarHBondContact O-N 3.21Å
84	L	97.7	Very high	96.3	Very high	5 Å²	5	43 Å²	43	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-41.4	172.8	177.5	67.4	0	0	0	111.9	I81 I82 A87 W88 I138 Y141 A142 F145 M162 L166	I81-L84 WeakPolarHBondContact O-CB 3.34Å; I81-L84 PolarHBondContact O-N 3.16Å; I81-L84 VanDerWaalsContact O-N 3.11Å; I82-L84 VanDerWaalsContact C-N 3.34Å; L84-A87 PolarHBondContact O-N 3.1Å; L84-W88 WeakPolarHBondContact O-CB 3.38Å; L84-W88 PolarHBondContact O-N 3.31Å; L84-I138 HydrophobicContact CD2-CG2 4.26Å; L84-I138 HydrophobicContact CG-CG2 4.26Å; L84-Y141 HydrophobicContact CD1-CD1 4.2Å; L84-Y141 HydrophobicContact CD1-CE1 4.01Å; L84-A142 HydrophobicContact CD1-CB 3.9Å; L84-A142 HydrophobicContact CD2-CB 3.94Å; L84-A142 HydrophobicContact CG-CB 4.48Å; L84-F145 HydrophobicContact CD1-CD1 3.67Å; L84-F145 HydrophobicContact CD1-CE1 3.95Å; L84-M162 HydrophobicContact CD1-SD 4.22Å; L84-M162 HydrophobicContact CD2-SD 3.77Å; L84-L166 HydrophobicContact CD2-CD1 4.19Å; L84-L166 HydrophobicContact CD2-CD2 3.73Å; L84-L166 HydrophobicContact CD2-CG 4.01Å
85	V	98	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-40.6	174.9	-175.6	0	0	0	0	111.1	I81 I82 W88 H89 M125 L129 I138	I81-V85 WeakPolarHBondContact O-CG2 3.25Å; I81-V85 PolarHBondContact O-N 3.43Å; I81-V85 VanDerWaalsContact O-N 3.09Å; I82-V85 HydrophobicContact CD1-CG2 4.37Å; I82-V85 PolarHBondContact O-N 3.4Å; V85-W88 WeakPolarHBondContact O-CB 3.41Å; V85-W88 PolarHBondContact O-N 2.96Å; V85-H89 PolarHBondContact O-CD2 2.89Å; V85-H89 VanDerWaalsContact O-CD2 3.25Å; V85-H89 PolarHBondContact O-N 3.39Å; V85-H89 VanDerWaalsContact O-N 3.07Å; V85-M125 HydrophobicContact CB-CB 4.29Å; V85-M125 HydrophobicContact CG1-CB 3.77Å; V85-M125 HydrophobicContact CG1-CG 4.02Å; V85-L129 HydrophobicContact CG2-CD1 4.01Å; V85-L129 HydrophobicContact CG2-CD2 3.67Å; V85-L129 HydrophobicContact CG2-CG 3.85Å; V85-I138 HydrophobicContact CG1-CD1 4.26Å; V85-I138 HydrophobicContact CG2-CD1 4.23Å; V85-I138 HydrophobicContact CG2-CG2 4.44Å
86	L	98.3	Very high	95.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-47.6	174.1	177.1	61.4	0	0	0	111.6	F70 I82 M83 W88 H89 L90 M107 L110 L118 M125	F70-L86 HydrophobicContact CE1-CD2 3.66Å; F70-L86 HydrophobicContact CZ-CD2 3.78Å; I82-L86 VanDerWaalsContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CB 3.47Å; I82-L86 PolarHBondContact O-N 3Å; M83-L86 HydrophobicContact CE-CD2 4.22Å; M83-L86 HydrophobicContact SD-CD2 4.26Å; L86-W88 VanDerWaalsContact C-N 3.26Å; L86-W88 PolarHBondContact O-N 3.41Å; L86-H89 PolarHBondContact O-N 3.15Å; L86-H89 VanDerWaalsContact O-N 3.14Å; L86-L90 HydrophobicContact CD1-CD1 3.61Å; L86-L90 HydrophobicContact CG-CD1 4.21Å; L86-L90 WeakPolarHBondContact O-CD1 3.45Å; L86-L90 PolarHBondContact O-N 3.1Å; L86-M107 HydrophobicContact CD1-CE 4.16Å; L86-L110 HydrophobicContact CD1-CD1 3.89Å; L86-L118 HydrophobicContact CD1-CD1 3.87Å; L86-L118 HydrophobicContact CD1-CD2 4.39Å; L86-L118 HydrophobicContact CD2-CD2 3.97Å; L86-M125 HydrophobicContact CB-SD 4.35Å; L86-M125 HydrophobicContact CD1-CE 3.91Å
87	A	98.2	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-39.8	177.1	0	0	0	0	0	111.7	M83 L84 L90 G91 A92 F98 Y141 F145	M83-A87 WeakPolarHBondContact O-CB 3.36Å; M83-A87 PolarHBondContact O-N 3.21Å; L84-A87 PolarHBondContact O-N 3.1Å; A87-L90 CarbonylContact O-C 3.45Å; A87-L90 PolarHBondContact O-N 3.28Å; A87-G91 PolarHBondContact O-N 3.27Å; A87-A92 HydrophobicContact CB-CB 4.2Å; A87-A92 PolarHBondContact O-N 3.19Å; A87-F98 HydrophobicContact CB-CE1 3.86Å; A87-F98 HydrophobicContact CB-CZ 4.13Å; A87-Y141 HydrophobicContact CB-CE1 4.28Å; A87-Y141 WeakPolarHBondContact CB-OH 3.43Å; A87-Y141 PolarHBondContact O-OH 3.3Å; A87-Y141 VanDerWaalsContact O-OH 3.08Å; A87-F145 HydrophobicContact CB-CD2 4.48Å; A87-F145 HydrophobicContact CB-CE1 4.09Å; A87-F145 HydrophobicContact CB-CE2 3.71Å; A87-F145 HydrophobicContact CB-CZ 3.46Å; A87-F145 VanDerWaalsContact CB-CZ 3.46Å
88	W	98.2	Very high	96	Very high	69 Å²	69	41.1 Å²	41.1	26%	0.261	22%	0.224	S	C	.	.	H	α-helix	trans	-60.6	-44.8	174	176.6	66.2	0	0	0	112.7	L84 V85 L86 L90 G91 N137 I138 Y141	L84-W88 WeakPolarHBondContact O-CB 3.38Å; L84-W88 PolarHBondContact O-N 3.31Å; V85-W88 WeakPolarHBondContact O-CB 3.41Å; V85-W88 PolarHBondContact O-N 2.96Å; L86-W88 VanDerWaalsContact C-N 3.26Å; L86-W88 PolarHBondContact O-N 3.41Å; W88-L90 VanDerWaalsContact C-N 3.31Å; W88-L90 PolarHBondContact O-N 3.2Å; W88-G91 PolarHBondContact O-N 3.06Å; W88-N137 HydrophobicContact CZ2-CB 4.15Å; W88-I138 HydrophobicContact CB-CG1 4.47Å; W88-I138 HydrophobicContact CD2-CD1 4.45Å; W88-I138 HydrophobicContact CD2-CG1 3.56Å; W88-I138 HydrophobicContact CE3-CD1 4.01Å; W88-I138 HydrophobicContact CE3-CG1 3.62Å; W88-I138 HydrophobicContact CG-CG1 3.94Å; W88-I138 HydrophobicContact CH2-CG1 4.5Å; W88-I138 HydrophobicContact CZ2-CG1 4.46Å; W88-I138 HydrophobicContact CZ3-CD1 4.17Å; W88-I138 HydrophobicContact CZ3-CG1 4.1Å; W88-Y141 HydrophobicContact CB-CD1 3.71Å; W88-Y141 HydrophobicContact CB-CE1 3.75Å; W88-Y141 HydrophobicContact CB-CG 4.26Å; W88-Y141 AromaticContact CD1-CD1 3.89Å; W88-Y141 AromaticContact CD1-CG 3.58Å; W88-Y141 HydrophobicContact CG-CD1 4.18Å; W88-Y141 HydrophobicContact CG-CG 4.31Å
89	H	97.8	Very high	96.2	Very high	33 Å²	33	40.4 Å²	40.4	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-31.2	173.9	-81	-69.2	0	0	0	113.8	V85 L86 G106 L110 E128	V85-H89 PolarHBondContact O-CD2 2.89Å; V85-H89 VanDerWaalsContact O-CD2 3.25Å; V85-H89 PolarHBondContact O-N 3.39Å; V85-H89 VanDerWaalsContact O-N 3.07Å; L86-H89 PolarHBondContact O-N 3.15Å; L86-H89 VanDerWaalsContact O-N 3.14Å; H89-G106 VanDerWaalsContact O-CA 3.32Å; H89-G106 WeakPolarHBondContact O-CA 3.46Å; H89-L110 HydrophobicContact CB-CD1 3.92Å; H89-L110 HydrophobicContact CB-CD2 4.22Å; H89-L110 HydrophobicContact CB-CG 4.19Å; H89-E128 IonicContact CD2-OE2 3.73Å; H89-E128 IonicContact CE1-OE1 3.2Å; H89-E128 PolarHBondContact CE1-OE1 3.48Å; H89-E128 IonicContact CE1-OE2 3.6Å; H89-E128 VanDerWaalsContact NE2-CD 3.34Å; H89-E128 IonicContact NE2-OE1 2.7Å; H89-E128 PolarHBondContact NE2-OE1 3.02Å; H89-E128 IonicContact NE2-OE2 3.19Å; H89-E128 PolarHBondContact NE2-OE2 2.93Å
90	L	97.9	Very high	96.4	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-75.7	-12.2	172.5	-90.9	63.9	0	0	0	113	L86 A87 W88 A92 F98 E102 W103 M107 L110	L86-L90 HydrophobicContact CD1-CD1 3.61Å; L86-L90 HydrophobicContact CG-CD1 4.21Å; L86-L90 WeakPolarHBondContact O-CD1 3.45Å; L86-L90 PolarHBondContact O-N 3.1Å; A87-L90 CarbonylContact O-C 3.45Å; A87-L90 PolarHBondContact O-N 3.28Å; W88-L90 VanDerWaalsContact C-N 3.31Å; W88-L90 PolarHBondContact O-N 3.2Å; L90-A92 HydrophobicContact CB-CB 4.48Å; L90-A92 PolarHBondContact O-N 3.33Å; L90-F98 HydrophobicContact CD2-CB 4.43Å; L90-F98 HydrophobicContact CD2-CD1 3.79Å; L90-F98 HydrophobicContact CD2-CD2 3.86Å; L90-F98 HydrophobicContact CD2-CE1 3.94Å; L90-F98 HydrophobicContact CD2-CE2 4Å; L90-F98 HydrophobicContact CD2-CG 3.77Å; L90-F98 HydrophobicContact CD2-CZ 4.04Å; L90-E102 WeakPolarHBondContact O-CA 3.43Å; L90-E102 WeakPolarHBondContact O-CB 3.33Å; L90-W103 HydrophobicContact CD2-CB 4.46Å; L90-W103 HydrophobicContact CD2-CE3 4.21Å; L90-M107 HydrophobicContact CD1-CE 4.11Å; L90-M107 HydrophobicContact CD1-CG 4.44Å; L90-M107 HydrophobicContact CD1-SD 4.28Å; L90-M107 HydrophobicContact CD2-CE 4.32Å; L90-L110 HydrophobicContact CD1-CD1 4.35Å
91	G	97.1	Very high	96.5	Very high	46 Å²	46	39.7 Å²	39.7	47%	0.474	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	31.9	-171.8	0	0	0	0	0	112.3	A87 W88 S93	A87-G91 PolarHBondContact O-N 3.27Å; W88-G91 PolarHBondContact O-N 3.06Å; G91-S93 PolarHBondContact O-N 3.31Å
92	A	97.1	Very high	96.6	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	21%	0.213	C	C	.	.			trans	-65.7	133.2	-168.7	0	0	0	0	0	112.5	A87 L90 F98 E102 Y141 F145	A87-A92 HydrophobicContact CB-CB 4.2Å; A87-A92 PolarHBondContact O-N 3.19Å; L90-A92 HydrophobicContact CB-CB 4.48Å; L90-A92 PolarHBondContact O-N 3.33Å; A92-F98 HydrophobicContact CB-CD1 3.58Å; A92-F98 HydrophobicContact CB-CE1 3.55Å; A92-E102 WeakPolarHBondContact CA-OE1 3.38Å; A92-Y141 WeakPolarHBondContact O-CE2 3.4Å; A92-Y141 PolarHBondContact O-OH 2.82Å; A92-F145 HydrophobicContact CB-CD2 4.44Å; A92-F145 HydrophobicContact CB-CE2 3.97Å; A92-F145 WeakPolarHBondContact O-CD2 3.31Å
93	S	94.6	Very high	96.7	Very high	91 Å²	91	39 Å²	39	64%	0.636	21%	0.212	S	C	*	.	S	Bend	trans	-86.9	-14.7	-169.1	-51.2	0	0	0	0	113.9	G91 E102	G91-S93 PolarHBondContact O-N 3.31Å; S93-E102 VanDerWaalsContact CB-OE1 3.3Å; S93-E102 WeakPolarHBondContact CB-OE1 3.38Å; S93-E102 PolarHBondContact N-OE1 3.19Å; S93-E102 PolarHBondContact OG-OE1 3.25Å
94	K	93.1	Very high	96.7	Very high	93 Å²	93	40 Å²	40	40%	0.404	22%	0.218	S	C	.	.	S	Bend	trans	-150.3	131	-174.3	-172.9	-173.5	174.9	-163.2	0	111.8	G96 Y97 F145	K94-G96 PolarHBondContact O-N 3.34Å; K94-Y97 HydrophobicContact CD-CD2 3.56Å; K94-Y97 HydrophobicContact CD-CE2 3.93Å; K94-Y97 HydrophobicContact CD-CG 4.28Å; K94-Y97 HydrophobicContact CG-CD2 3.98Å; K94-Y97 PolarHBondContact O-N 2.97Å; K94-F145 WeakPolarHBondContact O-CE2 3.36Å
95	M	93.3	Very high	96.7	Very high	80 Å²	80	43.4 Å²	43.4	39%	0.394	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.1	174.1	-174.7	170	69.4	0	0	112.8	Y97 F145 A146 T158 M162	M95-Y97 VanDerWaalsContact C-N 3.34Å; M95-Y97 VanDerWaalsContact O-CD2 3.31Å; M95-Y97 WeakPolarHBondContact O-CD2 3.47Å; M95-F145 HydrophobicContact CB-CD1 4.16Å; M95-F145 HydrophobicContact CB-CE1 3.95Å; M95-F145 HydrophobicContact CB-CE2 4.33Å; M95-F145 HydrophobicContact CB-CG 4.45Å; M95-F145 HydrophobicContact CB-CZ 4.06Å; M95-F145 WeakPolarHBondContact CB-O 3.27Å; M95-F145 HydrophobicContact CG-CD1 4.44Å; M95-F145 HydrophobicContact CG-CE1 3.93Å; M95-F145 HydrophobicContact CG-CZ 4.25Å; M95-F145 PolarHBondContact N-O 3.34Å; M95-A146 HydrophobicContact CE-CB 4.25Å; M95-A146 HydrophobicContact SD-CB 3.94Å; M95-T158 HydrophobicContact CE-CG2 4.03Å; M95-M162 HydrophobicContact SD-CE 3.92Å
96	G	92.5	Very high	96.7	Very high	22 Å²	22	43.4 Å²	43.4	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	0.7	-178.6	0	0	0	0	0	115.6	G63 K94	G63-G96 CarbonylContact C-O 3.56Å; K94-G96 PolarHBondContact O-N 3.34Å
97	Y	94.9	Very high	96.7	Very high	71 Å²	71	43.3 Å²	43.3	28%	0.278	24%	0.241	S	C	.	.			trans	-132.1	138.2	-178.3	-62	-95.3	0	0	0	112.8	M61 V62 P64 K94 M95	M61-Y97 HydrophobicContact CG-CD1 4.47Å; M61-Y97 HydrophobicContact SD-CD1 3.78Å; M61-Y97 HydrophobicContact SD-CE1 4.3Å; V62-Y97 CarbonylContact O-C 3.56Å; V62-Y97 VanDerWaalsContact O-CA 3.24Å; V62-Y97 WeakPolarHBondContact O-CA 3.47Å; P64-Y97 HydrophobicContact CG-CE2 4.28Å; K94-Y97 HydrophobicContact CD-CD2 3.56Å; K94-Y97 HydrophobicContact CD-CE2 3.93Å; K94-Y97 HydrophobicContact CD-CG 4.28Å; K94-Y97 HydrophobicContact CG-CD2 3.98Å; K94-Y97 PolarHBondContact O-N 2.97Å; M95-Y97 VanDerWaalsContact C-N 3.34Å; M95-Y97 VanDerWaalsContact O-CD2 3.31Å; M95-Y97 WeakPolarHBondContact O-CD2 3.47Å
98	F	97.2	Very high	96.6	Very high	4 Å²	4	46 Å²	46	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.1	163	-60.6	-42.2	0	0	0	111.1	M61 V62 M67 F70 A87 L90 A92 W103	M61-F98 WeakPolarHBondContact CA-O 3.45Å; V62-F98 HydrophobicContact CB-CB 4.26Å; V62-F98 PolarHBondContact N-O 2.85Å; V62-F98 PolarHBondContact O-N 3.22Å; M67-F98 HydrophobicContact CE-CD2 3.6Å; M67-F98 HydrophobicContact CE-CE1 4.49Å; M67-F98 HydrophobicContact CE-CE2 3.59Å; M67-F98 HydrophobicContact CE-CG 4.08Å; M67-F98 HydrophobicContact CE-CZ 4.05Å; M67-F98 HydrophobicContact SD-CD2 4.13Å; M67-F98 HydrophobicContact SD-CE2 3.69Å; M67-F98 HydrophobicContact SD-CZ 4.33Å; F70-F98 HydrophobicContact CE1-CE2 4.09Å; A87-F98 HydrophobicContact CB-CE1 3.86Å; A87-F98 HydrophobicContact CB-CZ 4.13Å; L90-F98 HydrophobicContact CD2-CB 4.43Å; L90-F98 HydrophobicContact CD2-CD1 3.79Å; L90-F98 HydrophobicContact CD2-CD2 3.86Å; L90-F98 HydrophobicContact CD2-CE1 3.94Å; L90-F98 HydrophobicContact CD2-CE2 4Å; L90-F98 HydrophobicContact CD2-CG 3.77Å; L90-F98 HydrophobicContact CD2-CZ 4.04Å; A92-F98 HydrophobicContact CB-CD1 3.58Å; A92-F98 HydrophobicContact CB-CE1 3.55Å; F98-W103 HydrophobicContact CB-CE3 4.29Å; F98-W103 AromaticContact CD2-CE3 3.87Å; F98-W103 HydrophobicContact CD2-CE3 3.87Å; F98-W103 AromaticContact CD2-CZ3 3.98Å; F98-W103 HydrophobicContact CD2-CZ3 3.98Å; F98-W103 HydrophobicContact CG-CE3 4.43Å
99	T	96.8	Very high	96.5	Very high	56 Å²	56	47.7 Å²	47.7	34%	0.344	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	164	167.7	66.9	0	0	0	0	111.1	D101 E102 W103	T99-D101 VanDerWaalsContact C-N 3.27Å; T99-D101 PolarHBondContact O-N 3.04Å; T99-E102 VanDerWaalsContact CB-OE2 3.28Å; T99-E102 WeakPolarHBondContact CB-OE2 3.44Å; T99-E102 VanDerWaalsContact CG2-OE2 3.32Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T99-E102 PolarHBondContact N-OE2 3.2Å; T99-E102 WeakPolarHBondContact OG1-CB 3.33Å; T99-E102 VanDerWaalsContact OG1-CG 3.25Å; T99-E102 WeakPolarHBondContact OG1-CG 3.48Å; T99-E102 PolarHBondContact OG1-N 2.74Å; T99-E102 PolarHBondContact OG1-OE2 3.33Å; T99-W103 WeakPolarHBondContact O-CB 3.39Å; T99-W103 PolarHBondContact O-N 3.36Å
100	K	97	Very high	96.5	Very high	80 Å²	80	46.7 Å²	46.7	35%	0.348	27%	0.271	S	S	.	.	H	α-helix	trans	-57.2	-40.3	174.7	178.1	176.5	162	176.1	0	112.7	L49 F52 L104	L49-K100 HydrophobicContact CD1-CD 4.06Å; L49-K100 HydrophobicContact CD1-CG 4.31Å; F52-K100 HydrophobicContact CD1-CB 4.26Å; F52-K100 HydrophobicContact CD1-CG 4.21Å; F52-K100 HydrophobicContact CE1-CB 3.59Å; F52-K100 HydrophobicContact CE1-CD 4.46Å; F52-K100 HydrophobicContact CE1-CG 3.99Å; F52-K100 HydrophobicContact CE2-CB 4.29Å; F52-K100 HydrophobicContact CZ-CB 3.6Å; F52-K100 HydrophobicContact CZ-CG 4.42Å; K100-L104 HydrophobicContact CG-CD1 3.89Å; K100-L104 HydrophobicContact CG-CG 4.31Å; K100-L104 WeakPolarHBondContact O-CB 3.29Å; K100-L104 VanDerWaalsContact O-CG 3.25Å; K100-L104 WeakPolarHBondContact O-CG 3.15Å; K100-L104 PolarHBondContact O-N 2.89Å
101	D	97.2	Very high	96.4	Very high	119 Å²	119	51 Å²	51	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-78.8	-39.9	-171.8	-62.7	-26.4	0	0	0	111.3	T99 S105	T99-D101 VanDerWaalsContact C-N 3.27Å; T99-D101 PolarHBondContact O-N 3.04Å; D101-S105 WeakPolarHBondContact O-CB 3.43Å; D101-S105 PolarHBondContact O-N 3.24Å
102	E	98.1	Very high	96.5	Very high	24 Å²	24	48.8 Å²	48.8	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-50.1	168.9	-70	159.4	153.5	0	0	110.8	L90 A92 S93 T99 S105 G106	L90-E102 WeakPolarHBondContact O-CA 3.43Å; L90-E102 WeakPolarHBondContact O-CB 3.33Å; A92-E102 WeakPolarHBondContact CA-OE1 3.38Å; S93-E102 VanDerWaalsContact CB-OE1 3.3Å; S93-E102 WeakPolarHBondContact CB-OE1 3.38Å; S93-E102 PolarHBondContact N-OE1 3.19Å; S93-E102 PolarHBondContact OG-OE1 3.25Å; T99-E102 VanDerWaalsContact CB-OE2 3.28Å; T99-E102 WeakPolarHBondContact CB-OE2 3.44Å; T99-E102 VanDerWaalsContact CG2-OE2 3.32Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T99-E102 PolarHBondContact N-OE2 3.2Å; T99-E102 WeakPolarHBondContact OG1-CB 3.33Å; T99-E102 VanDerWaalsContact OG1-CG 3.25Å; T99-E102 WeakPolarHBondContact OG1-CG 3.48Å; T99-E102 PolarHBondContact OG1-N 2.74Å; T99-E102 PolarHBondContact OG1-OE2 3.33Å; E102-S105 PolarHBondContact O-N 3.07Å; E102-G106 PolarHBondContact O-N 3.44Å
103	W	98.1	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-54.3	177.8	-175.8	-75.4	0	0	0	112.1	W51 F52 Y55 V62 F70 L90 F98 T99 S105 M107	W51-W103 AromaticContact CD2-CZ2 3.7Å; W51-W103 HydrophobicContact CD2-CZ2 3.7Å; W51-W103 AromaticContact CE2-CZ2 3.94Å; W51-W103 AromaticContact CE3-CZ2 3.59Å; W51-W103 HydrophobicContact CE3-CZ2 3.59Å; W51-W103 AromaticContact CE3-NE1 3.87Å; W51-W103 HydrophobicContact CG-CZ2 4.36Å; W51-W103 HydrophobicContact CH2-CH2 4.43Å; W51-W103 AromaticContact CH2-CZ2 3.94Å; W51-W103 HydrophobicContact CH2-CZ2 3.94Å; W51-W103 HydrophobicContact CZ2-CH2 4.4Å; W51-W103 HydrophobicContact CZ2-CZ2 4.07Å; W51-W103 AromaticContact CZ3-CZ2 3.71Å; W51-W103 HydrophobicContact CZ3-CZ2 3.71Å; F52-W103 HydrophobicContact CB-CD2 4.39Å; F52-W103 HydrophobicContact CB-CG 4.14Å; F52-W103 HydrophobicContact CD2-CB 3.71Å; F52-W103 AromaticContact CD2-CD2 3.83Å; F52-W103 HydrophobicContact CD2-CD2 3.83Å; F52-W103 HydrophobicContact CD2-CE3 4.26Å; F52-W103 AromaticContact CD2-CG 3.59Å; F52-W103 HydrophobicContact CD2-CG 3.59Å; F52-W103 HydrophobicContact CE2-CB 4.15Å; F52-W103 HydrophobicContact CE2-CG 4.47Å; F52-W103 HydrophobicContact CG-CG 4.27Å; Y55-W103 AromaticContact CD2-CH2 3.92Å; Y55-W103 HydrophobicContact CD2-CH2 3.92Å; Y55-W103 HydrophobicContact CD2-CZ2 4.32Å; Y55-W103 HydrophobicContact CE2-CH2 4.06Å; Y55-W103 HydrophobicContact CE2-CZ2 4.38Å; V62-W103 HydrophobicContact CG2-CE3 4.41Å; V62-W103 HydrophobicContact CG2-CZ3 4.32Å; F70-W103 HydrophobicContact CD1-CZ3 4.39Å; F70-W103 AromaticContact CD2-CH2 3.76Å; F70-W103 HydrophobicContact CD2-CH2 3.76Å; F70-W103 HydrophobicContact CD2-CZ3 4.32Å; F70-W103 HydrophobicContact CE1-CH2 4.34Å; F70-W103 HydrophobicContact CE1-CZ3 4.1Å; F70-W103 AromaticContact CE2-CH2 3.44Å; F70-W103 HydrophobicContact CE2-CH2 3.44Å; F70-W103 VanDerWaalsContact CE2-CH2 3.44Å; F70-W103 HydrophobicContact CE2-CZ2 4.38Å; F70-W103 HydrophobicContact CE2-CZ3 4.04Å; F70-W103 HydrophobicContact CG-CH2 4.33Å; F70-W103 HydrophobicContact CG-CZ3 4.48Å; F70-W103 AromaticContact CZ-CH2 3.74Å; F70-W103 HydrophobicContact CZ-CH2 3.74Å; F70-W103 AromaticContact CZ-CZ3 3.9Å; F70-W103 HydrophobicContact CZ-CZ3 3.9Å; L90-W103 HydrophobicContact CD2-CB 4.46Å; L90-W103 HydrophobicContact CD2-CE3 4.21Å; F98-W103 HydrophobicContact CB-CE3 4.29Å; F98-W103 AromaticContact CD2-CE3 3.87Å; F98-W103 HydrophobicContact CD2-CE3 3.87Å; F98-W103 AromaticContact CD2-CZ3 3.98Å; F98-W103 HydrophobicContact CD2-CZ3 3.98Å; F98-W103 HydrophobicContact CG-CE3 4.43Å; T99-W103 WeakPolarHBondContact O-CB 3.39Å; T99-W103 PolarHBondContact O-N 3.36Å; W103-S105 VanDerWaalsContact C-N 3.31Å; W103-S105 PolarHBondContact O-N 3.49Å; W103-M107 HydrophobicContact CD2-CE 4Å; W103-M107 HydrophobicContact CD2-CG 4.24Å; W103-M107 HydrophobicContact CE3-CE 4.05Å; W103-M107 HydrophobicContact CG-CG 4.13Å; W103-M107 HydrophobicContact CH2-CE 4.03Å; W103-M107 HydrophobicContact CZ2-CE 3.95Å; W103-M107 HydrophobicContact CZ3-CE 4.06Å; W103-M107 WeakPolarHBondContact O-CB 3.32Å; W103-M107 WeakPolarHBondContact O-CG 3.28Å; W103-M107 PolarHBondContact O-N 3.34Å
104	L	97.7	Very high	96.6	Very high	38 Å²	38	46 Å²	46	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-39.2	-178.4	-72.8	178.7	0	0	0	112	C48 L49 K100 T108	C48-L104 HydrophobicContact CB-CD2 4.21Å; L49-L104 HydrophobicContact CB-CD2 4.05Å; L49-L104 HydrophobicContact CD1-CD1 4.31Å; L49-L104 HydrophobicContact CD1-CD2 4.48Å; K100-L104 HydrophobicContact CG-CD1 3.89Å; K100-L104 HydrophobicContact CG-CG 4.31Å; K100-L104 WeakPolarHBondContact O-CB 3.29Å; K100-L104 VanDerWaalsContact O-CG 3.25Å; K100-L104 WeakPolarHBondContact O-CG 3.15Å; K100-L104 PolarHBondContact O-N 2.89Å; L104-T108 VanDerWaalsContact O-CB 3.24Å; L104-T108 WeakPolarHBondContact O-CB 3.3Å; L104-T108 PolarHBondContact O-N 2.98Å; L104-T108 VanDerWaalsContact O-N 3.14Å; L104-T108 PolarHBondContact O-OG1 3.23Å
105	S	97.7	Very high	96.8	Very high	76 Å²	76	42.5 Å²	42.5	53%	0.531	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-59.4	178.2	-172.9	0	0	0	0	111.1	D101 E102 W103 M107 T108 V109	D101-S105 WeakPolarHBondContact O-CB 3.43Å; D101-S105 PolarHBondContact O-N 3.24Å; E102-S105 PolarHBondContact O-N 3.07Å; W103-S105 VanDerWaalsContact C-N 3.31Å; W103-S105 PolarHBondContact O-N 3.49Å; S105-M107 PolarHBondContact O-N 3.14Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.05Å; S105-T108 VanDerWaalsContact O-N 3.17Å; S105-V109 PolarHBondContact O-N 3.08Å
106	G	97.7	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-43.2	-176.8	0	0	0	0	0	113.5	H89 E102 T108 V109 L110	H89-G106 VanDerWaalsContact O-CA 3.32Å; H89-G106 WeakPolarHBondContact O-CA 3.46Å; E102-G106 PolarHBondContact O-N 3.44Å; G106-T108 VanDerWaalsContact C-N 3.27Å; G106-T108 PolarHBondContact O-N 3.34Å; G106-V109 WeakPolarHBondContact O-CB 3.33Å; G106-V109 PolarHBondContact O-N 3.38Å; G106-V109 VanDerWaalsContact O-N 3.11Å; G106-L110 WeakPolarHBondContact O-CB 3.41Å; G106-L110 WeakPolarHBondContact O-CG 3.41Å; G106-L110 PolarHBondContact O-N 3.04Å
107	M	97.9	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-29.2	177.8	-64.1	-63.3	-174.4	0	0	112.2	C48 W51 F70 L86 L90 W103 S105 L110 Q111 C112 L118	C48-M107 VanDerWaalsContact SG-CB 3.5Å; W51-M107 HydrophobicContact CH2-CE 3.89Å; W51-M107 HydrophobicContact CH2-SD 4.1Å; W51-M107 HydrophobicContact CZ3-CE 3.91Å; W51-M107 HydrophobicContact CZ3-CG 4.17Å; W51-M107 HydrophobicContact CZ3-SD 3.75Å; F70-M107 HydrophobicContact CZ-CE 4.16Å; L86-M107 HydrophobicContact CD1-CE 4.16Å; L90-M107 HydrophobicContact CD1-CE 4.11Å; L90-M107 HydrophobicContact CD1-CG 4.44Å; L90-M107 HydrophobicContact CD1-SD 4.28Å; L90-M107 HydrophobicContact CD2-CE 4.32Å; W103-M107 HydrophobicContact CD2-CE 4Å; W103-M107 HydrophobicContact CD2-CG 4.24Å; W103-M107 HydrophobicContact CE3-CE 4.05Å; W103-M107 HydrophobicContact CG-CG 4.13Å; W103-M107 HydrophobicContact CH2-CE 4.03Å; W103-M107 HydrophobicContact CZ2-CE 3.95Å; W103-M107 HydrophobicContact CZ3-CE 4.06Å; W103-M107 WeakPolarHBondContact O-CB 3.32Å; W103-M107 WeakPolarHBondContact O-CG 3.28Å; W103-M107 PolarHBondContact O-N 3.34Å; S105-M107 PolarHBondContact O-N 3.14Å; M107-L110 HydrophobicContact SD-CD1 4.44Å; M107-Q111 PolarHBondContact O-N 3.08Å; M107-C112 WeakPolarHBondContact CB-O 3.29Å; M107-C112 PolarHBondContact O-N 3.06Å; M107-C112 HydrophobicContact SD-CB 4.05Å; M107-L118 HydrophobicContact CE-CD2 4.01Å
108	T	97.1	Very high	97.3	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.344	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-44	169.1	-59.9	0	0	0	0	111.3	F43 L104 S105 G106 L110 Q111	F43-T108 HydrophobicContact CD1-CG2 4.43Å; F43-T108 HydrophobicContact CE1-CG2 3.9Å; F43-T108 WeakPolarHBondContact CE1-OG1 3.46Å; F43-T108 HydrophobicContact CZ-CG2 4.23Å; F43-T108 WeakPolarHBondContact CZ-OG1 3.42Å; L104-T108 VanDerWaalsContact O-CB 3.24Å; L104-T108 WeakPolarHBondContact O-CB 3.3Å; L104-T108 PolarHBondContact O-N 2.98Å; L104-T108 VanDerWaalsContact O-N 3.14Å; L104-T108 PolarHBondContact O-OG1 3.23Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.05Å; S105-T108 VanDerWaalsContact O-N 3.17Å; G106-T108 VanDerWaalsContact C-N 3.27Å; G106-T108 PolarHBondContact O-N 3.34Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.96Å; T108-Q111 PolarHBondContact O-N 2.96Å; T108-Q111 PolarHBondContact O-NE2 3.42Å
109	V	96	Very high	97.3	Very high	105 Å²	105	46.3 Å²	46.3	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-60.6	-43.5	175.9	173.5	0	0	0	0	111.1	S105 G106 Q111	S105-V109 PolarHBondContact O-N 3.08Å; G106-V109 WeakPolarHBondContact O-CB 3.33Å; G106-V109 PolarHBondContact O-N 3.38Å; G106-V109 VanDerWaalsContact O-N 3.11Å; V109-Q111 VanDerWaalsContact C-N 3.27Å; V109-Q111 PolarHBondContact O-N 2.98Å
110	L	96.8	Very high	97.3	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-13	177.6	-67.3	170	0	0	0	114.4	L86 H89 L90 G106 M107 T108 C112 K121 M125	L86-L110 HydrophobicContact CD1-CD1 3.89Å; H89-L110 HydrophobicContact CB-CD1 3.92Å; H89-L110 HydrophobicContact CB-CD2 4.22Å; H89-L110 HydrophobicContact CB-CG 4.19Å; L90-L110 HydrophobicContact CD1-CD1 4.35Å; G106-L110 WeakPolarHBondContact O-CB 3.41Å; G106-L110 WeakPolarHBondContact O-CG 3.41Å; G106-L110 PolarHBondContact O-N 3.04Å; M107-L110 HydrophobicContact SD-CD1 4.44Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.96Å; L110-C112 VanDerWaalsContact C-N 3.26Å; L110-C112 HydrophobicContact CB-CB 4.44Å; L110-C112 PolarHBondContact O-N 3.2Å; L110-K121 WeakPolarHBondContact O-CE 3.43Å; L110-M125 HydrophobicContact CD1-CE 3.49Å; L110-M125 VanDerWaalsContact CD1-CE 3.49Å; L110-M125 HydrophobicContact CD2-CE 3.64Å; L110-M125 HydrophobicContact CG-CE 4.2Å
111	Q	97.3	Very high	97.3	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	24.5	-172	-61.9	-73	-69.4	0	0	114.8	M107 T108 V109 R117	M107-Q111 PolarHBondContact O-N 3.08Å; T108-Q111 PolarHBondContact O-N 2.96Å; T108-Q111 PolarHBondContact O-NE2 3.42Å; V109-Q111 VanDerWaalsContact C-N 3.27Å; V109-Q111 PolarHBondContact O-N 2.98Å; Q111-R117 WeakPolarHBondContact O-CD 3.5Å; Q111-R117 PolarHBondContact O-NH1 3.1Å
112	C	97.8	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.			trans	-94.4	121.6	179.6	-62.2	0	0	0	0	110.8	F43 W51 M107 L110 R117 L118	F43-C112 WeakPolarHBondContact CE2-O 3.45Å; W51-C112 HydrophobicContact CZ3-CB 4.5Å; M107-C112 WeakPolarHBondContact CB-O 3.29Å; M107-C112 PolarHBondContact O-N 3.06Å; M107-C112 HydrophobicContact SD-CB 4.05Å; L110-C112 VanDerWaalsContact C-N 3.26Å; L110-C112 HydrophobicContact CB-CB 4.44Å; L110-C112 PolarHBondContact O-N 3.2Å; C112-R117 HydrophobicContact CB-CB 4.34Å; C112-R117 PolarHBondContact SG-O 3.29Å; C112-L118 HydrophobicContact CB-CB 4.33Å
113	D	97.5	Very high	97.3	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.254	C	S	.	.			trans	-122.4	8	173.7	61.8	14.5	0	0	0	113.9	F43 S44 K47 C48 R117	F43-D113 WeakPolarHBondContact CA-OD2 3.41Å; F43-D113 HydrophobicContact CD2-CB 3.84Å; F43-D113 HydrophobicContact CE2-CB 3.9Å; S44-D113 PolarHBondContact N-OD2 3.49Å; K47-D113 HydrophobicContact CB-CB 4.01Å; C48-D113 HydrophobicContact CB-CB 3.99Å; D113-R117 IonicContact OD1-CZ 3.1Å; D113-R117 IonicContact OD1-NE 3.68Å; D113-R117 IonicContact OD1-NH1 2.94Å; D113-R117 PolarHBondContact OD1-NH1 3.33Å; D113-R117 IonicContact OD1-NH2 3.46Å; D113-R117 PolarHBondContact OD1-NH2 3.43Å; D113-R117 IonicContact OD2-CZ 3.45Å; D113-R117 IonicContact OD2-NH1 2.84Å; D113-R117 PolarHBondContact OD2-NH1 3.35Å; D113-R117 IonicContact OD2-NH2 3.42Å; D113-R117 PolarHBondContact OD2-NH2 2.7Å
114	C	96.8	Very high	97.2	Very high	33 Å²	33	52.1 Å²	52.1	22%	0.223	28%	0.275	C	S	.	.	S	Bend	trans	-160.9	164.9	176.8	63.5	0	0	0	0	111	E116 R117 L118	C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 WeakPolarHBondContact CB-OE2 3.34Å; C114-E116 PolarHBondContact O-N 2.77Å; C114-E116 PolarHBondContact SG-OE2 2.81Å; C114-R117 PolarHBondContact O-N 2.88Å; C114-L118 PolarHBondContact O-N 2.99Å
115	T	97.4	Very high	97.2	Very high	19 Å²	19	50.3 Å²	50.3	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-49.6	-47.4	179.8	-63.6	0	0	0	0	113	W51 D73 I74 R117 L118 Q119	W51-T115 PolarHBondContact NE1-OG1 2.71Å; D73-T115 WeakPolarHBondContact O-CG2 3.22Å; I74-T115 HydrophobicContact CG2-CG2 4.08Å; T115-R117 VanDerWaalsContact C-N 3.31Å; T115-R117 PolarHBondContact O-N 3.13Å; T115-L118 PolarHBondContact O-N 3.28Å; T115-L118 VanDerWaalsContact O-N 3.1Å; T115-Q119 HydrophobicContact CG2-CG 4.45Å; T115-Q119 WeakPolarHBondContact O-CG 3.38Å; T115-Q119 PolarHBondContact O-N 3.45Å
116	E	96.8	Very high	97.1	Very high	126 Å²	126	51.6 Å²	51.6	59%	0.589	26%	0.259	S	S	*	.	H	α-helix	trans	-66.4	-33.2	-172.9	-53.4	84.2	169.7	0	0	112.3	C114 S120	C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 WeakPolarHBondContact CB-OE2 3.34Å; C114-E116 PolarHBondContact O-N 2.77Å; C114-E116 PolarHBondContact SG-OE2 2.81Å; E116-S120 PolarHBondContact O-N 2.95Å; E116-S120 VanDerWaalsContact O-N 3.15Å
117	R	96.7	Very high	97	Very high	52 Å²	52	54.4 Å²	54.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-74.9	-33	174.3	-73.5	-162.5	-167.1	146.9	14.4	112.7	R41 Q42 Q111 C112 D113 C114 T115 S120 K121	R41-R117 PolarHBondContact O-NH2 3.13Å; Q42-R117 PolarHBondContact O-NH2 2.97Å; Q111-R117 WeakPolarHBondContact O-CD 3.5Å; Q111-R117 PolarHBondContact O-NH1 3.1Å; C112-R117 HydrophobicContact CB-CB 4.34Å; C112-R117 PolarHBondContact SG-O 3.29Å; D113-R117 IonicContact OD1-CZ 3.1Å; D113-R117 IonicContact OD1-NE 3.68Å; D113-R117 IonicContact OD1-NH1 2.94Å; D113-R117 PolarHBondContact OD1-NH1 3.33Å; D113-R117 IonicContact OD1-NH2 3.46Å; D113-R117 PolarHBondContact OD1-NH2 3.43Å; D113-R117 IonicContact OD2-CZ 3.45Å; D113-R117 IonicContact OD2-NH1 2.84Å; D113-R117 PolarHBondContact OD2-NH1 3.35Å; D113-R117 IonicContact OD2-NH2 3.42Å; D113-R117 PolarHBondContact OD2-NH2 2.7Å; C114-R117 PolarHBondContact O-N 2.88Å; T115-R117 VanDerWaalsContact C-N 3.31Å; T115-R117 PolarHBondContact O-N 3.13Å; R117-S120 PolarHBondContact O-OG 3.38Å; R117-S120 VanDerWaalsContact O-OG 3.06Å; R117-K121 WeakPolarHBondContact O-CG 3.39Å; R117-K121 PolarHBondContact O-N 3.35Å
118	L	97.7	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-40.8	173.8	179.7	58.3	0	0	0	110.7	W51 F70 I74 L86 M107 C112 C114 T115 S120 K121 L122 M125	W51-L118 HydrophobicContact CH2-CB 3.95Å; W51-L118 HydrophobicContact CH2-CD2 3.83Å; W51-L118 HydrophobicContact CZ2-CD2 4.38Å; F70-L118 HydrophobicContact CE2-CD2 3.91Å; F70-L118 HydrophobicContact CZ-CD2 3.51Å; I74-L118 HydrophobicContact CD1-CD2 4.32Å; I74-L118 HydrophobicContact CG2-CD2 4.04Å; L86-L118 HydrophobicContact CD1-CD1 3.87Å; L86-L118 HydrophobicContact CD1-CD2 4.39Å; L86-L118 HydrophobicContact CD2-CD2 3.97Å; M107-L118 HydrophobicContact CE-CD2 4.01Å; C112-L118 HydrophobicContact CB-CB 4.33Å; C114-L118 PolarHBondContact O-N 2.99Å; T115-L118 PolarHBondContact O-N 3.28Å; T115-L118 VanDerWaalsContact O-N 3.1Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.47Å; L118-K121 WeakPolarHBondContact O-CA 3.15Å; L118-K121 WeakPolarHBondContact O-CB 3.34Å; L118-K121 PolarHBondContact O-N 3.33Å; L118-L122 PolarHBondContact O-N 3.39Å; L118-M125 HydrophobicContact CD1-CE 3.81Å
119	Q	98	Very high	96.9	Very high	78 Å²	78	54.2 Å²	54.2	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-43.6	173.4	-76.3	176.9	-39.8	0	0	112.4	D73 I74 T115 K121 L122	D73-Q119 PolarHBondContact O-NE2 3.47Å; I74-Q119 VanDerWaalsContact C-NE2 3.3Å; I74-Q119 HydrophobicContact CB-CG 4.27Å; I74-Q119 WeakPolarHBondContact O-CG 3.3Å; I74-Q119 PolarHBondContact O-NE2 2.91Å; T115-Q119 HydrophobicContact CG2-CG 4.45Å; T115-Q119 WeakPolarHBondContact O-CG 3.38Å; T115-Q119 PolarHBondContact O-N 3.45Å; Q119-K121 PolarHBondContact O-N 2.88Å; Q119-L122 HydrophobicContact CG-CD1 4.45Å; Q119-L122 WeakPolarHBondContact O-CG 3.16Å; Q119-L122 PolarHBondContact O-N 3.29Å
120	S	96.8	Very high	96.8	Very high	88 Å²	88	55.9 Å²	55.9	62%	0.615	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.6	175.9	71.6	0	0	0	0	114.8	E116 R117 L118	E116-S120 PolarHBondContact O-N 2.95Å; E116-S120 VanDerWaalsContact O-N 3.15Å; R117-S120 PolarHBondContact O-OG 3.38Å; R117-S120 VanDerWaalsContact O-OG 3.06Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.47Å
121	K	97.2	Very high	96.8	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.8	172.6	-68.3	-66.5	-172.8	175.4	0	114.3	L110 R117 L118 Q119 D123 Y124 M125	L110-K121 WeakPolarHBondContact O-CE 3.43Å; R117-K121 WeakPolarHBondContact O-CG 3.39Å; R117-K121 PolarHBondContact O-N 3.35Å; L118-K121 WeakPolarHBondContact O-CA 3.15Å; L118-K121 WeakPolarHBondContact O-CB 3.34Å; L118-K121 PolarHBondContact O-N 3.33Å; Q119-K121 PolarHBondContact O-N 2.88Å; K121-D123 VanDerWaalsContact C-N 3.3Å; K121-D123 PolarHBondContact O-N 2.86Å; K121-Y124 WeakPolarHBondContact O-CB 3.16Å; K121-Y124 PolarHBondContact O-N 2.8Å; K121-Y124 VanDerWaalsContact O-N 3.1Å; K121-M125 HydrophobicContact CB-CE 4.36Å; K121-M125 PolarHBondContact O-N 2.92Å
122	L	96.7	Very high	96.7	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-36.8	-178.4	-60.1	175.3	0	0	0	112.3	V76 I82 L118 Q119 M125 R126	V76-L122 HydrophobicContact CG1-CD1 3.98Å; V76-L122 HydrophobicContact CG1-CD2 4.5Å; I82-L122 HydrophobicContact CG2-CD2 3.6Å; L118-L122 PolarHBondContact O-N 3.39Å; Q119-L122 HydrophobicContact CG-CD1 4.45Å; Q119-L122 WeakPolarHBondContact O-CG 3.16Å; Q119-L122 PolarHBondContact O-N 3.29Å; L122-M125 PolarHBondContact O-N 3.27Å; L122-R126 VanDerWaalsContact O-CG 3.29Å; L122-R126 WeakPolarHBondContact O-CG 3.33Å; L122-R126 PolarHBondContact O-N 3.4Å
123	D	96.8	Very high	96.7	Very high	111 Å²	111	60.6 Å²	60.6	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-71.3	-31.7	176	-69.6	-34.7	0	0	0	113.2	K121 R126 S127	K121-D123 VanDerWaalsContact C-N 3.3Å; K121-D123 PolarHBondContact O-N 2.86Å; D123-R126 PolarHBondContact O-N 3.32Å; D123-R126 IonicContact OD1-CZ 3.17Å; D123-R126 IonicContact OD1-NH1 2.8Å; D123-R126 PolarHBondContact OD1-NH1 3.17Å; D123-S127 PolarHBondContact O-N 3.13Å
124	Y	96.7	Very high	96.6	Very high	110 Å²	110	61.1 Å²	61.1	43%	0.431	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-47.1	170.1	166.7	-91.1	0	0	0	110.4	K121 R126 S127 E128	K121-Y124 WeakPolarHBondContact O-CB 3.16Å; K121-Y124 PolarHBondContact O-N 2.8Å; K121-Y124 VanDerWaalsContact O-N 3.1Å; Y124-R126 VanDerWaalsContact C-N 3.32Å; Y124-R126 PolarHBondContact O-N 3.23Å; Y124-S127 WeakPolarHBondContact O-CA 3.4Å; Y124-S127 WeakPolarHBondContact O-CB 3.49Å; Y124-S127 PolarHBondContact O-N 2.84Å; Y124-S127 PolarHBondContact O-OG 2.91Å; Y124-E128 HydrophobicContact CE1-CG 4.05Å; Y124-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.44Å; Y124-E128 VanDerWaalsContact CE1-OE2 3.32Å; Y124-E128 WeakPolarHBondContact CE1-OE2 3.49Å; Y124-E128 HydrophobicContact CE2-CG 4.49Å; Y124-E128 VanDerWaalsContact CZ-CD 3.48Å; Y124-E128 VanDerWaalsContact CZ-OE1 3.23Å; Y124-E128 PolarHBondContact O-N 2.58Å; Y124-E128 VanDerWaalsContact O-N 3.16Å; Y124-E128 PolarHBondContact OH-OE1 3.37Å
125	M	97.1	Very high	96.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-36.5	176.5	-67.2	172.7	-177	0	0	112.6	I82 V85 L86 L110 L118 K121 L122 S127 E128	I82-M125 HydrophobicContact CD1-CB 4.21Å; I82-M125 HydrophobicContact CG2-CB 4.02Å; I82-M125 HydrophobicContact CG2-SD 4.03Å; V85-M125 HydrophobicContact CB-CB 4.29Å; V85-M125 HydrophobicContact CG1-CB 3.77Å; V85-M125 HydrophobicContact CG1-CG 4.02Å; L86-M125 HydrophobicContact CB-SD 4.35Å; L86-M125 HydrophobicContact CD1-CE 3.91Å; L110-M125 HydrophobicContact CD1-CE 3.49Å; L110-M125 VanDerWaalsContact CD1-CE 3.49Å; L110-M125 HydrophobicContact CD2-CE 3.64Å; L110-M125 HydrophobicContact CG-CE 4.2Å; L118-M125 HydrophobicContact CD1-CE 3.81Å; K121-M125 HydrophobicContact CB-CE 4.36Å; K121-M125 PolarHBondContact O-N 2.92Å; L122-M125 PolarHBondContact O-N 3.27Å; M125-S127 VanDerWaalsContact C-N 3.29Å; M125-S127 PolarHBondContact O-N 3.4Å; M125-E128 PolarHBondContact O-N 2.64Å
126	R	95.9	Very high	96.7	Very high	103 Å²	103	62.1 Å²	62.1	39%	0.389	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-37.5	170.2	-72.4	167.1	-172.3	134.5	6.1	111.7	I82 L122 D123 Y124 L129 N130	I82-R126 HydrophobicContact CD1-CB 4.21Å; I82-R126 HydrophobicContact CD1-CG 3.45Å; I82-R126 VanDerWaalsContact CD1-CG 3.45Å; I82-R126 HydrophobicContact CG1-CG 3.86Å; L122-R126 VanDerWaalsContact O-CG 3.29Å; L122-R126 WeakPolarHBondContact O-CG 3.33Å; L122-R126 PolarHBondContact O-N 3.4Å; D123-R126 PolarHBondContact O-N 3.32Å; D123-R126 IonicContact OD1-CZ 3.17Å; D123-R126 IonicContact OD1-NH1 2.8Å; D123-R126 PolarHBondContact OD1-NH1 3.17Å; Y124-R126 VanDerWaalsContact C-N 3.32Å; Y124-R126 PolarHBondContact O-N 3.23Å; R126-L129 PolarHBondContact O-N 2.85Å; R126-N130 PolarHBondContact O-ND2 2.59Å; R126-N130 VanDerWaalsContact O-ND2 3.13Å
127	S	96.6	Very high	96.8	Very high	60 Å²	60	60 Å²	60	42%	0.42	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-36	-180	80.5	0	0	0	0	112.8	D123 Y124 M125 L129 N130	D123-S127 PolarHBondContact O-N 3.13Å; Y124-S127 WeakPolarHBondContact O-CA 3.4Å; Y124-S127 WeakPolarHBondContact O-CB 3.49Å; Y124-S127 PolarHBondContact O-N 2.84Å; Y124-S127 PolarHBondContact O-OG 2.91Å; M125-S127 VanDerWaalsContact C-N 3.29Å; M125-S127 PolarHBondContact O-N 3.4Å; S127-L129 PolarHBondContact O-N 2.91Å; S127-N130 WeakPolarHBondContact O-CB 3.34Å; S127-N130 PolarHBondContact O-N 3.04Å; S127-N130 PolarHBondContact O-ND2 2.84Å
128	E	96.4	Very high	96.8	Very high	22 Å²	22	57.5 Å²	57.5	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-28.9	178.2	-69	175.5	125.9	0	0	113.1	H89 Y124 M125 N130 D131 A134	H89-E128 IonicContact CD2-OE2 3.73Å; H89-E128 IonicContact CE1-OE1 3.2Å; H89-E128 PolarHBondContact CE1-OE1 3.48Å; H89-E128 IonicContact CE1-OE2 3.6Å; H89-E128 VanDerWaalsContact NE2-CD 3.34Å; H89-E128 IonicContact NE2-OE1 2.7Å; H89-E128 PolarHBondContact NE2-OE1 3.02Å; H89-E128 IonicContact NE2-OE2 3.19Å; H89-E128 PolarHBondContact NE2-OE2 2.93Å; Y124-E128 HydrophobicContact CE1-CG 4.05Å; Y124-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.44Å; Y124-E128 VanDerWaalsContact CE1-OE2 3.32Å; Y124-E128 WeakPolarHBondContact CE1-OE2 3.49Å; Y124-E128 HydrophobicContact CE2-CG 4.49Å; Y124-E128 VanDerWaalsContact CZ-CD 3.48Å; Y124-E128 VanDerWaalsContact CZ-OE1 3.23Å; Y124-E128 PolarHBondContact O-N 2.58Å; Y124-E128 VanDerWaalsContact O-N 3.16Å; Y124-E128 PolarHBondContact OH-OE1 3.37Å; M125-E128 PolarHBondContact O-N 2.64Å; E128-N130 PolarHBondContact O-N 3.08Å; E128-D131 PolarHBondContact O-N 3.47Å; E128-D131 VanDerWaalsContact O-N 3.12Å; E128-A134 HydrophobicContact CB-CB 4.41Å
129	L	95.5	Very high	96.9	Very high	30 Å²	30	57.5 Å²	57.5	16%	0.157	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.4	174.3	-66.5	168.7	0	0	0	113.4	I81 I82 V85 R126 S127 F135 I138	I81-L129 HydrophobicContact CB-CD1 4.5Å; I81-L129 HydrophobicContact CD1-CD1 3.74Å; I81-L129 HydrophobicContact CD1-CD2 3.78Å; I81-L129 HydrophobicContact CD1-CG 4.4Å; I81-L129 HydrophobicContact CG1-CD1 3.87Å; I81-L129 HydrophobicContact CG1-CD2 4.17Å; I81-L129 HydrophobicContact CG2-CD1 3.86Å; I82-L129 HydrophobicContact CD1-CD1 3.85Å; V85-L129 HydrophobicContact CG2-CD1 4.01Å; V85-L129 HydrophobicContact CG2-CD2 3.67Å; V85-L129 HydrophobicContact CG2-CG 3.85Å; R126-L129 PolarHBondContact O-N 2.85Å; S127-L129 PolarHBondContact O-N 2.91Å; L129-F135 HydrophobicContact CB-CD2 4.42Å; L129-F135 HydrophobicContact CD2-CD2 3.94Å; L129-F135 HydrophobicContact CD2-CE2 4.3Å; L129-F135 WeakPolarHBondContact O-CD2 3.46Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG2 4.49Å
130	N	94.7	Very high	96.9	Very high	140 Å²	140	58.4 Å²	58.4	75%	0.749	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.9	174.2	-54.3	-72.5	0	0	0	112.6	R126 S127 E128	R126-N130 PolarHBondContact O-ND2 2.59Å; R126-N130 VanDerWaalsContact O-ND2 3.13Å; S127-N130 WeakPolarHBondContact O-CB 3.34Å; S127-N130 PolarHBondContact O-N 3.04Å; S127-N130 PolarHBondContact O-ND2 2.84Å; E128-N130 PolarHBondContact O-N 3.08Å
131	D	96.6	Very high	96.9	Very high	85 Å²	85	55.9 Å²	55.9	46%	0.455	29%	0.289	S	S	.	.	S	Bend	trans	-80.7	124.9	172.3	178.4	-91.9	0	0	0	110.3	E128 A133 A134 F135	E128-D131 PolarHBondContact O-N 3.47Å; E128-D131 VanDerWaalsContact O-N 3.12Å; D131-A133 PolarHBondContact O-N 2.95Å; D131-A133 WeakPolarHBondContact OD1-CA 3.1Å; D131-A133 WeakPolarHBondContact OD1-CB 3.44Å; D131-A133 PolarHBondContact OD1-N 3.46Å; D131-A134 HydrophobicContact CB-CB 4.02Å; D131-A134 PolarHBondContact OD1-N 3.24Å; D131-F135 WeakPolarHBondContact O-CB 3.03Å; D131-F135 PolarHBondContact O-N 2.93Å
132	A	95.3	Very high	97	Very high	61 Å²	61	52.2 Å²	52.2	50%	0.504	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-24.7	-171.5	0	0	0	0	0	113.9	K136 R202	A132-K136 WeakPolarHBondContact O-CB 3.03Å; A132-K136 PolarHBondContact O-N 3.16Å; A132-R202 PolarHBondContact O-NH1 2.92Å; A132-R202 PolarHBondContact O-NH2 3.35Å
133	A	96.8	Very high	97	Very high	59 Å²	59	51.6 Å²	51.6	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-88.2	-46.3	-179.9	0	0	0	0	0	111.4	D131 K136 N137	D131-A133 PolarHBondContact O-N 2.95Å; D131-A133 WeakPolarHBondContact OD1-CA 3.1Å; D131-A133 WeakPolarHBondContact OD1-CB 3.44Å; D131-A133 PolarHBondContact OD1-N 3.46Å; A133-K136 PolarHBondContact O-N 3.34Å; A133-N137 PolarHBondContact O-N 2.9Å; A133-N137 PolarHBondContact O-ND2 3.38Å
134	A	97.1	Very high	97	Very high	15 Å²	15	49.1 Å²	49.1	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-48.9	171.9	0	0	0	0	0	110.6	E128 D131 K136 N137 I138	E128-A134 HydrophobicContact CB-CB 4.41Å; D131-A134 HydrophobicContact CB-CB 4.02Å; D131-A134 PolarHBondContact OD1-N 3.24Å; A134-K136 VanDerWaalsContact C-N 3.32Å; A134-K136 PolarHBondContact O-N 2.72Å; A134-N137 WeakPolarHBondContact O-CB 3.03Å; A134-N137 PolarHBondContact O-N 3.27Å; A134-I138 WeakPolarHBondContact O-CG1 3.39Å; A134-I138 PolarHBondContact O-N 2.96Å
135	F	97.8	Very high	97	Very high	16 Å²	16	44.7 Å²	44.7	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-42.7	173.9	-173.9	-80.7	0	0	0	112.2	L129 D131 N137 I138 Y139 L166 L167 L198	L129-F135 HydrophobicContact CB-CD2 4.42Å; L129-F135 HydrophobicContact CD2-CD2 3.94Å; L129-F135 HydrophobicContact CD2-CE2 4.3Å; L129-F135 WeakPolarHBondContact O-CD2 3.46Å; D131-F135 WeakPolarHBondContact O-CB 3.03Å; D131-F135 PolarHBondContact O-N 2.93Å; F135-N137 VanDerWaalsContact C-N 3.26Å; F135-N137 PolarHBondContact O-N 3.09Å; F135-I138 PolarHBondContact O-N 3.34Å; F135-Y139 HydrophobicContact CE1-CD2 4.13Å; F135-Y139 HydrophobicContact CE1-CG 4.45Å; F135-Y139 WeakPolarHBondContact O-CB 3.35Å; F135-Y139 PolarHBondContact O-N 3.05Å; F135-L166 HydrophobicContact CE2-CD2 4.3Å; F135-L166 HydrophobicContact CZ-CB 4.27Å; F135-L166 HydrophobicContact CZ-CD2 4.18Å; F135-L166 WeakPolarHBondContact CZ-O 3.31Å; F135-L167 HydrophobicContact CE1-CD2 4.23Å; F135-L167 HydrophobicContact CZ-CD2 4.08Å; F135-L198 HydrophobicContact CD1-CD1 4.29Å; F135-L198 HydrophobicContact CE1-CD1 3.76Å
136	K	97.7	Very high	96.9	Very high	56 Å²	56	45.2 Å²	45.2	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-32.2	177.7	-174.4	158.9	-175.9	158.4	0	111.7	A132 A133 A134 R140 L198 E199	A132-K136 WeakPolarHBondContact O-CB 3.03Å; A132-K136 PolarHBondContact O-N 3.16Å; A133-K136 PolarHBondContact O-N 3.34Å; A134-K136 VanDerWaalsContact C-N 3.32Å; A134-K136 PolarHBondContact O-N 2.72Å; K136-R140 WeakPolarHBondContact O-CB 3.5Å; K136-R140 WeakPolarHBondContact O-CD 3.42Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 2.68Å; K136-L198 HydrophobicContact CB-CD2 4.27Å; K136-L198 HydrophobicContact CD-CD2 4.46Å; K136-L198 HydrophobicContact CG-CD2 3.96Å; K136-E199 IonicContact NZ-OE2 2.59Å; K136-E199 PolarHBondContact NZ-OE2 2.98Å
137	N	98.1	Very high	96.8	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	24%	0.235	S	C	.	.	H	α-helix	trans	-74.7	-46	174.7	-67.3	-27.4	0	0	0	112.2	W88 A133 A134 F135 Y139 R140 Y141	W88-N137 HydrophobicContact CZ2-CB 4.15Å; A133-N137 PolarHBondContact O-N 2.9Å; A133-N137 PolarHBondContact O-ND2 3.38Å; A134-N137 WeakPolarHBondContact O-CB 3.03Å; A134-N137 PolarHBondContact O-N 3.27Å; F135-N137 VanDerWaalsContact C-N 3.26Å; F135-N137 PolarHBondContact O-N 3.09Å; N137-Y139 PolarHBondContact O-N 3.38Å; N137-R140 PolarHBondContact O-N 3.11Å; N137-Y141 WeakPolarHBondContact O-CB 3.48Å; N137-Y141 PolarHBondContact O-N 3.13Å
138	I	98.4	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-46.9	176	-66.6	158.2	0	0	0	110.5	L84 V85 W88 L129 A134 F135 R140 Y141 A142 L166	L84-I138 HydrophobicContact CD2-CG2 4.26Å; L84-I138 HydrophobicContact CG-CG2 4.26Å; V85-I138 HydrophobicContact CG1-CD1 4.26Å; V85-I138 HydrophobicContact CG2-CD1 4.23Å; V85-I138 HydrophobicContact CG2-CG2 4.44Å; W88-I138 HydrophobicContact CB-CG1 4.47Å; W88-I138 HydrophobicContact CD2-CD1 4.45Å; W88-I138 HydrophobicContact CD2-CG1 3.56Å; W88-I138 HydrophobicContact CE3-CD1 4.01Å; W88-I138 HydrophobicContact CE3-CG1 3.62Å; W88-I138 HydrophobicContact CG-CG1 3.94Å; W88-I138 HydrophobicContact CH2-CG1 4.5Å; W88-I138 HydrophobicContact CZ2-CG1 4.46Å; W88-I138 HydrophobicContact CZ3-CD1 4.17Å; W88-I138 HydrophobicContact CZ3-CG1 4.1Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG2 4.49Å; A134-I138 WeakPolarHBondContact O-CG1 3.39Å; A134-I138 PolarHBondContact O-N 2.96Å; F135-I138 PolarHBondContact O-N 3.34Å; I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 3.02Å; I138-Y141 WeakPolarHBondContact O-CB 3.27Å; I138-Y141 PolarHBondContact O-N 3.01Å; I138-A142 PolarHBondContact O-N 3.07Å; I138-L166 HydrophobicContact CG2-CD2 4.43Å
139	Y	98.4	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-40.8	176.8	179.8	-82.8	0	0	0	112.5	F135 N137 L163 L166 L167 W194 L198	F135-Y139 HydrophobicContact CE1-CD2 4.13Å; F135-Y139 HydrophobicContact CE1-CG 4.45Å; F135-Y139 WeakPolarHBondContact O-CB 3.35Å; F135-Y139 PolarHBondContact O-N 3.05Å; N137-Y139 PolarHBondContact O-N 3.38Å; Y139-L163 HydrophobicContact CE2-CD2 3.97Å; Y139-L163 VanDerWaalsContact OH-CD2 3.31Å; Y139-L163 WeakPolarHBondContact OH-CD2 3.31Å; Y139-L166 HydrophobicContact CD2-CB 4.07Å; Y139-L166 HydrophobicContact CD2-CD1 3.72Å; Y139-L166 HydrophobicContact CD2-CD2 4.4Å; Y139-L166 HydrophobicContact CD2-CG 4.29Å; Y139-L166 HydrophobicContact CE2-CB 4.44Å; Y139-L166 HydrophobicContact CE2-CD1 4.19Å; Y139-L166 HydrophobicContact CG-CD1 4.42Å; Y139-L167 HydrophobicContact CD2-CD2 4.46Å; Y139-L167 HydrophobicContact CE2-CD1 3.99Å; Y139-L167 HydrophobicContact CE2-CD2 4.23Å; Y139-L167 HydrophobicContact CE2-CG 4.1Å; Y139-W194 AromaticContact CD1-CD1 3.9Å; Y139-W194 AromaticContact CD1-NE1 3.5Å; Y139-W194 AromaticContact CE1-CD1 3.27Å; Y139-W194 HydrophobicContact CE1-CD2 4.43Å; Y139-W194 AromaticContact CE1-CE2 3.89Å; Y139-W194 HydrophobicContact CE1-CG 4.09Å; Y139-W194 AromaticContact CE1-NE1 3.13Å; Y139-W194 WeakPolarHBondContact CE1-O 3.5Å; Y139-W194 HydrophobicContact CE2-CZ2 4.27Å; Y139-W194 AromaticContact CZ-CD1 3.85Å; Y139-W194 AromaticContact CZ-CE2 3.76Å; Y139-W194 AromaticContact CZ-NE1 3.5Å; Y139-W194 PolarHBondContact O-NE1 2.91Å; Y139-W194 PolarHBondContact OH-O 2.97Å; Y139-L198 HydrophobicContact CD1-CB 3.88Å; Y139-L198 HydrophobicContact CD1-CD2 3.65Å; Y139-L198 HydrophobicContact CD1-CG 4.27Å; Y139-L198 HydrophobicContact CD2-CD1 4.27Å; Y139-L198 HydrophobicContact CE1-CB 3.5Å; Y139-L198 HydrophobicContact CE1-CD2 4.19Å; Y139-L198 HydrophobicContact CE1-CG 4.37Å; Y139-L198 HydrophobicContact CE2-CB 4.19Å; Y139-L198 HydrophobicContact CE2-CD1 4.47Å; Y139-L198 HydrophobicContact CG-CB 4.39Å; Y139-L198 HydrophobicContact CG-CD1 4.41Å; Y139-L198 HydrophobicContact CG-CD2 3.85Å; Y139-L198 HydrophobicContact CG-CG 4.45Å
140	R	97.9	Very high	95.8	Very high	97 Å²	97	54.5 Å²	54.5	37%	0.366	30%	0.298	S	S	.	.	H	α-helix	trans	-69.6	-40.6	176.9	-77.6	176	163.5	-178.3	-5.4	112.3	K136 N137 I138 A142 F143 Y195	K136-R140 WeakPolarHBondContact O-CB 3.5Å; K136-R140 WeakPolarHBondContact O-CD 3.42Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 2.68Å; N137-R140 PolarHBondContact O-N 3.11Å; I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 3.02Å; R140-A142 VanDerWaalsContact C-N 3.35Å; R140-F143 PolarHBondContact O-N 3.13Å; R140-Y195 HydrophobicContact CB-CE1 4.12Å; R140-Y195 HydrophobicContact CG-CD1 4.28Å; R140-Y195 HydrophobicContact CG-CD2 4.35Å; R140-Y195 HydrophobicContact CG-CE1 3.78Å; R140-Y195 HydrophobicContact CG-CE2 3.86Å
141	Y	98.3	Very high	95.6	Very high	36 Å²	36	53.4 Å²	53.4	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-42.2	175	161.8	-96.3	0	0	0	112	L84 A87 W88 A92 N137 I138 F143 D144 F145	L84-Y141 HydrophobicContact CD1-CD1 4.2Å; L84-Y141 HydrophobicContact CD1-CE1 4.01Å; A87-Y141 HydrophobicContact CB-CE1 4.28Å; A87-Y141 WeakPolarHBondContact CB-OH 3.43Å; A87-Y141 PolarHBondContact O-OH 3.3Å; A87-Y141 VanDerWaalsContact O-OH 3.08Å; W88-Y141 HydrophobicContact CB-CD1 3.71Å; W88-Y141 HydrophobicContact CB-CE1 3.75Å; W88-Y141 HydrophobicContact CB-CG 4.26Å; W88-Y141 AromaticContact CD1-CD1 3.89Å; W88-Y141 AromaticContact CD1-CG 3.58Å; W88-Y141 HydrophobicContact CG-CD1 4.18Å; W88-Y141 HydrophobicContact CG-CG 4.31Å; A92-Y141 WeakPolarHBondContact O-CE2 3.4Å; A92-Y141 PolarHBondContact O-OH 2.82Å; N137-Y141 WeakPolarHBondContact O-CB 3.48Å; N137-Y141 PolarHBondContact O-N 3.13Å; I138-Y141 WeakPolarHBondContact O-CB 3.27Å; I138-Y141 PolarHBondContact O-N 3.01Å; Y141-F143 PolarHBondContact O-N 3.47Å; Y141-F143 VanDerWaalsContact O-N 3.08Å; Y141-D144 PolarHBondContact O-N 3.42Å; Y141-F145 HydrophobicContact CD1-CB 4.26Å; Y141-F145 HydrophobicContact CE1-CB 3.79Å; Y141-F145 HydrophobicContact CE1-CD1 4.18Å; Y141-F145 HydrophobicContact CE1-CD2 4.18Å; Y141-F145 AromaticContact CE1-CG 3.81Å; Y141-F145 HydrophobicContact CE1-CG 3.81Å; Y141-F145 HydrophobicContact CE2-CB 4.14Å; Y141-F145 AromaticContact CZ-CD2 3.7Å; Y141-F145 AromaticContact CZ-CG 3.74Å; Y141-F145 WeakPolarHBondContact O-CB 3.24Å; Y141-F145 PolarHBondContact O-N 3.02Å; Y141-F145 WeakPolarHBondContact OH-CD2 3.47Å; Y141-F145 WeakPolarHBondContact OH-CE2 3.41Å
142	A	98.1	Very high	95.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-52.5	-34.7	-179.5	0	0	0	0	0	113.6	L84 I138 R140 A146 M162 L166 W194	L84-A142 HydrophobicContact CD1-CB 3.9Å; L84-A142 HydrophobicContact CD2-CB 3.94Å; L84-A142 HydrophobicContact CG-CB 4.48Å; I138-A142 PolarHBondContact O-N 3.07Å; R140-A142 VanDerWaalsContact C-N 3.35Å; A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.36Å; A142-A146 PolarHBondContact O-N 3.46Å; A142-M162 HydrophobicContact CB-CG 4.05Å; A142-M162 HydrophobicContact CB-SD 4.07Å; A142-L166 HydrophobicContact CB-CD1 3.78Å; A142-W194 HydrophobicContact CB-CZ2 4.26Å
143	F	97.4	Very high	95.6	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-50.3	175.5	179.9	-91.5	0	0	0	112.9	R140 Y141 F145 R147 R152 L154 L189 K191 W194	R140-F143 PolarHBondContact O-N 3.13Å; Y141-F143 PolarHBondContact O-N 3.47Å; Y141-F143 VanDerWaalsContact O-N 3.08Å; F143-F145 VanDerWaalsContact C-N 3.35Å; F143-R147 WeakPolarHBondContact O-CB 3.48Å; F143-R147 PolarHBondContact O-N 3.36Å; F143-R152 WeakPolarHBondContact CZ-O 3.08Å; F143-L154 HydrophobicContact CD2-CD1 3.65Å; F143-L154 HydrophobicContact CD2-CG 3.92Å; F143-L154 HydrophobicContact CE2-CD1 4.07Å; F143-L154 HydrophobicContact CE2-CG 3.9Å; F143-L154 HydrophobicContact CG-CD1 4.49Å; F143-L189 WeakPolarHBondContact CE2-O 3.37Å; F143-K191 HydrophobicContact CD1-CB 4.15Å; F143-K191 HydrophobicContact CD1-CD 4.05Å; F143-K191 HydrophobicContact CD1-CG 3.86Å; F143-K191 HydrophobicContact CE1-CB 3.59Å; F143-K191 HydrophobicContact CE1-CD 3.97Å; F143-K191 HydrophobicContact CE1-CG 3.79Å; F143-K191 HydrophobicContact CE2-CB 4.4Å; F143-K191 HydrophobicContact CG-CG 4.49Å; F143-K191 HydrophobicContact CZ-CB 3.73Å; F143-K191 HydrophobicContact CZ-CG 4.36Å; F143-K191 VanDerWaalsContact CZ-N 3.34Å; F143-W194 HydrophobicContact CB-CD2 4.21Å; F143-W194 HydrophobicContact CB-CG 3.98Å; F143-W194 HydrophobicContact CD2-CB 3.66Å; F143-W194 AromaticContact CD2-CD2 3.89Å; F143-W194 HydrophobicContact CD2-CD2 3.89Å; F143-W194 HydrophobicContact CD2-CE3 4.21Å; F143-W194 AromaticContact CD2-CG 3.63Å; F143-W194 HydrophobicContact CD2-CG 3.63Å; F143-W194 HydrophobicContact CE2-CB 4.17Å; F143-W194 HydrophobicContact CG-CB 4.41Å; F143-W194 HydrophobicContact CG-CG 4.15Å
144	D	95.9	Very high	95.5	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	28%	0.275	S	S	.	.	H	α-helix	trans	-75	-28.8	-178.6	-66.1	-53.8	0	0	0	111.6	Y141 R147 K191	Y141-D144 PolarHBondContact O-N 3.42Å; D144-R147 IonicContact OD1-NH2 3.97Å; D144-K191 IonicContact OD1-NZ 3.78Å; D144-K191 PolarHBondContact OD1-NZ 3.4Å; D144-K191 IonicContact OD2-NZ 2.74Å; D144-K191 PolarHBondContact OD2-NZ 2.91Å
145	F	96.3	Very high	95.5	Very high	17 Å²	17	59.1 Å²	59.1	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-45.8	177	174.5	-116.2	0	0	0	113.4	L84 A87 A92 K94 M95 Y141 F143 R147	L84-F145 HydrophobicContact CD1-CD1 3.67Å; L84-F145 HydrophobicContact CD1-CE1 3.95Å; A87-F145 HydrophobicContact CB-CD2 4.48Å; A87-F145 HydrophobicContact CB-CE1 4.09Å; A87-F145 HydrophobicContact CB-CE2 3.71Å; A87-F145 HydrophobicContact CB-CZ 3.46Å; A87-F145 VanDerWaalsContact CB-CZ 3.46Å; A92-F145 HydrophobicContact CB-CD2 4.44Å; A92-F145 HydrophobicContact CB-CE2 3.97Å; A92-F145 WeakPolarHBondContact O-CD2 3.31Å; K94-F145 WeakPolarHBondContact O-CE2 3.36Å; M95-F145 HydrophobicContact CB-CD1 4.16Å; M95-F145 HydrophobicContact CB-CE1 3.95Å; M95-F145 HydrophobicContact CB-CE2 4.33Å; M95-F145 HydrophobicContact CB-CG 4.45Å; M95-F145 HydrophobicContact CB-CZ 4.06Å; M95-F145 WeakPolarHBondContact CB-O 3.27Å; M95-F145 HydrophobicContact CG-CD1 4.44Å; M95-F145 HydrophobicContact CG-CE1 3.93Å; M95-F145 HydrophobicContact CG-CZ 4.25Å; M95-F145 PolarHBondContact N-O 3.34Å; Y141-F145 HydrophobicContact CD1-CB 4.26Å; Y141-F145 HydrophobicContact CE1-CB 3.79Å; Y141-F145 HydrophobicContact CE1-CD1 4.18Å; Y141-F145 HydrophobicContact CE1-CD2 4.18Å; Y141-F145 AromaticContact CE1-CG 3.81Å; Y141-F145 HydrophobicContact CE1-CG 3.81Å; Y141-F145 HydrophobicContact CE2-CB 4.14Å; Y141-F145 AromaticContact CZ-CD2 3.7Å; Y141-F145 AromaticContact CZ-CG 3.74Å; Y141-F145 WeakPolarHBondContact O-CB 3.24Å; Y141-F145 PolarHBondContact O-N 3.02Å; Y141-F145 WeakPolarHBondContact OH-CD2 3.47Å; Y141-F145 WeakPolarHBondContact OH-CE2 3.41Å; F143-F145 VanDerWaalsContact C-N 3.35Å; F145-R147 VanDerWaalsContact C-N 3.33Å
146	A	95.7	Very high	95.4	Very high	11 Å²	11	59.2 Å²	59.2	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-80.1	-14.7	-177.6	0	0	0	0	0	113.6	M95 A142 L154 T158 M162	M95-A146 HydrophobicContact CE-CB 4.25Å; M95-A146 HydrophobicContact SD-CB 3.94Å; A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.36Å; A142-A146 PolarHBondContact O-N 3.46Å; A146-L154 VanDerWaalsContact C-CD2 3.48Å; A146-L154 HydrophobicContact CB-CD2 3.7Å; A146-T158 HydrophobicContact CB-CG2 3.97Å; A146-M162 HydrophobicContact CB-CE 4.05Å
147	R	94.6	Very high	95.3	Very high	51 Å²	51	62.6 Å²	62.6	19%	0.192	31%	0.31	C	S	.	.	S	Bend	trans	-89.1	130.8	-175.2	-174.1	-173.8	58.1	77.6	-3.3	111.8	F143 D144 F145 T149 S153 L154	F143-R147 WeakPolarHBondContact O-CB 3.48Å; F143-R147 PolarHBondContact O-N 3.36Å; D144-R147 IonicContact OD1-NH2 3.97Å; F145-R147 VanDerWaalsContact C-N 3.33Å; R147-T149 PolarHBondContact NH1-O 3.44Å; R147-T149 PolarHBondContact O-N 2.97Å; R147-S153 WeakPolarHBondContact CG-O 3.37Å; R147-L154 HydrophobicContact CB-CD2 3.63Å; R147-L154 HydrophobicContact CB-CG 4.36Å; R147-L154 HydrophobicContact CG-CD2 4.39Å
148	D	91.8	Very high	95.1	Very high	100 Å²	100	60.4 Å²	60.4	54%	0.535	30%	0.299	S	S	.	.			trans	-50.3	133.6	165.4	-83.4	-29.2	0	0	0	112.1	N150 Q151	D148-N150 PolarHBondContact O-N 2.89Å; D148-Q151 HydrophobicContact CB-CB 4.28Å; D148-Q151 HydrophobicContact CB-CG 3.4Å; D148-Q151 VanDerWaalsContact CB-CG 3.4Å; D148-Q151 PolarHBondContact O-N 3.37Å
149	T	86.4	Confident	95.1	Very high	112 Å²	112	60.4 Å²	60.4	69%	0.687	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-39.6	-170.9	-47	0	0	0	0	113.2	R147	R147-T149 PolarHBondContact NH1-O 3.44Å; R147-T149 PolarHBondContact O-N 2.97Å
150	N	87.9	Confident	95	Very high	146 Å²	146	61 Å²	61	78%	0.781	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.2	-173.5	-60.7	-32.4	0	0	0	116	D148	D148-N150 PolarHBondContact O-N 2.89Å
151	Q	92	Very high	94.9	Very high	117 Å²	117	60.1 Å²	60.1	55%	0.547	31%	0.311	S	S	.	.			trans	-87.8	-15.2	-156.7	-57.3	-69.4	37.1	0	0	117.5	D148 S153	D148-Q151 HydrophobicContact CB-CB 4.28Å; D148-Q151 HydrophobicContact CB-CG 3.4Å; D148-Q151 VanDerWaalsContact CB-CG 3.4Å; D148-Q151 PolarHBondContact O-N 3.37Å; Q151-S153 PolarHBondContact O-N 3.25Å
152	R	94.3	Very high	94.9	Very high	217 Å²	217	59.1 Å²	59.1	82%	0.819	31%	0.308	S	S	*	.	S	Bend	trans	60.7	-27.7	-172.9	-55.1	-176.3	177.5	-161.3	-0	118.2	F143	F143-R152 WeakPolarHBondContact CZ-O 3.08Å
153	S	95.9	Very high	94.9	Very high	49 Å²	49	59.1 Å²	59.1	34%	0.343	31%	0.308	S	S	.	.	S	Bend	trans	-120	154.6	172.8	50.1	0	0	0	0	111.5	R147 Q151 L189	R147-S153 WeakPolarHBondContact CG-O 3.37Å; Q151-S153 PolarHBondContact O-N 3.25Å; S153-L189 CarbonylContact C-O 3.29Å; S153-L189 VanDerWaalsContact CA-O 3.29Å; S153-L189 WeakPolarHBondContact CA-O 2.88Å; S153-L189 VanDerWaalsContact CB-O 3.22Å; S153-L189 WeakPolarHBondContact CB-O 3.24Å
154	L	96.3	Very high	94.9	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.3	162.9	-67.7	170.5	0	0	0	109.3	F143 A146 R147 T158 A159 G188 L189 W194	F143-L154 HydrophobicContact CD2-CD1 3.65Å; F143-L154 HydrophobicContact CD2-CG 3.92Å; F143-L154 HydrophobicContact CE2-CD1 4.07Å; F143-L154 HydrophobicContact CE2-CG 3.9Å; F143-L154 HydrophobicContact CG-CD1 4.49Å; A146-L154 VanDerWaalsContact C-CD2 3.48Å; A146-L154 HydrophobicContact CB-CD2 3.7Å; R147-L154 HydrophobicContact CB-CD2 3.63Å; R147-L154 HydrophobicContact CB-CG 4.36Å; R147-L154 HydrophobicContact CG-CD2 4.39Å; L154-T158 HydrophobicContact CD2-CG2 4.22Å; L154-A159 HydrophobicContact CB-CB 3.92Å; L154-A159 HydrophobicContact CD1-CB 4.19Å; L154-G188 CarbonylContact O-C 3.55Å; L154-G188 WeakPolarHBondContact O-CA 3.46Å; L154-L189 PolarHBondContact N-O 3.48Å; L154-L189 PolarHBondContact O-N 2.86Å; L154-W194 HydrophobicContact CD1-CD2 4.37Å; L154-W194 HydrophobicContact CD1-CE3 3.67Å; L154-W194 HydrophobicContact CD1-CH2 4.2Å; L154-W194 HydrophobicContact CD1-CZ3 3.55Å
155	D	95.8	Very high	94.9	Very high	73 Å²	73	59.6 Å²	59.6	39%	0.39	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	162.8	163.7	67.3	90.2	0	0	0	111	D157 T158 A159	D155-D157 PolarHBondContact O-N 3.1Å; D155-D157 PolarHBondContact OD1-N 3.09Å; D155-D157 VanDerWaalsContact OD1-N 3.13Å; D155-T158 VanDerWaalsContact CG-OG1 3.27Å; D155-T158 WeakPolarHBondContact OD1-CB 3.47Å; D155-T158 PolarHBondContact OD1-N 2.85Å; D155-T158 PolarHBondContact OD1-OG1 3.03Å; D155-T158 VanDerWaalsContact OD1-OG1 3.09Å; D155-T158 WeakPolarHBondContact OD2-CB 3.19Å; D155-T158 PolarHBondContact OD2-OG1 3.48Å; D155-A159 WeakPolarHBondContact O-CB 3.5Å; D155-A159 PolarHBondContact O-N 3.18Å
156	M	95.8	Very high	94.9	Very high	17 Å²	17	59 Å²	59	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-33.8	-172.3	-169.7	55.9	74.7	0	0	113.8	T160 L181 Y186 K187 L189	M156-T160 WeakPolarHBondContact O-CB 3.31Å; M156-T160 PolarHBondContact O-N 2.97Å; M156-T160 PolarHBondContact O-OG1 3.35Å; M156-L181 HydrophobicContact CE-CD2 4.15Å; M156-L181 HydrophobicContact SD-CB 3.9Å; M156-L181 HydrophobicContact SD-CD1 4.19Å; M156-L181 HydrophobicContact SD-CD2 4.01Å; M156-L181 HydrophobicContact SD-CG 4.25Å; M156-Y186 VanDerWaalsContact CE-CB 3.43Å; M156-Y186 WeakPolarHBondContact CE-O 3.37Å; M156-K187 PolarHBondContact N-O 2.9Å; M156-K187 VanDerWaalsContact N-O 3.17Å; M156-L189 HydrophobicContact CE-CD2 4.17Å
157	D	95.3	Very high	95	Very high	128 Å²	128	58.6 Å²	58.6	68%	0.684	31%	0.307	S	S	*	.	H	α-helix	trans	-75.1	-45.9	-174.8	-62.3	-28.8	0	0	0	110.2	D155 T160 S161	D155-D157 PolarHBondContact O-N 3.1Å; D155-D157 PolarHBondContact OD1-N 3.09Å; D155-D157 VanDerWaalsContact OD1-N 3.13Å; D157-T160 PolarHBondContact O-N 3.47Å; D157-S161 WeakPolarHBondContact O-CB 3.25Å; D157-S161 PolarHBondContact O-N 2.91Å; D157-S161 PolarHBondContact O-OG 3.36Å
158	T	95.6	Very high	95	Very high	35 Å²	35	58 Å²	58	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-45.6	171.5	-57	0	0	0	0	111	M95 A146 L154 D155 T160 S161 M162	M95-T158 HydrophobicContact CE-CG2 4.03Å; A146-T158 HydrophobicContact CB-CG2 3.97Å; L154-T158 HydrophobicContact CD2-CG2 4.22Å; D155-T158 VanDerWaalsContact CG-OG1 3.27Å; D155-T158 WeakPolarHBondContact OD1-CB 3.47Å; D155-T158 PolarHBondContact OD1-N 2.85Å; D155-T158 PolarHBondContact OD1-OG1 3.03Å; D155-T158 VanDerWaalsContact OD1-OG1 3.09Å; D155-T158 WeakPolarHBondContact OD2-CB 3.19Å; D155-T158 PolarHBondContact OD2-OG1 3.48Å; T158-T160 PolarHBondContact O-N 3.25Å; T158-S161 PolarHBondContact O-N 3.13Å; T158-M162 VanDerWaalsContact O-CB 3.3Å; T158-M162 WeakPolarHBondContact O-CB 3.43Å; T158-M162 PolarHBondContact O-N 3.12Å
159	A	97.4	Very high	95	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-45.6	178.5	0	0	0	0	0	112.1	L154 D155 S161 M162 L163 L189 W194	L154-A159 HydrophobicContact CB-CB 3.92Å; L154-A159 HydrophobicContact CD1-CB 4.19Å; D155-A159 WeakPolarHBondContact O-CB 3.5Å; D155-A159 PolarHBondContact O-N 3.18Å; A159-S161 VanDerWaalsContact C-N 3.34Å; A159-S161 PolarHBondContact O-N 3.12Å; A159-M162 PolarHBondContact O-N 3.01Å; A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 VanDerWaalsContact O-CG 3.28Å; A159-L163 WeakPolarHBondContact O-CG 3.43Å; A159-L163 PolarHBondContact O-N 2.67Å; A159-L189 HydrophobicContact CB-CB 4.32Å; A159-L189 HydrophobicContact CB-CD1 3.9Å; A159-L189 HydrophobicContact CB-CG 3.95Å; A159-W194 HydrophobicContact CB-CZ3 4.25Å
160	T	96.8	Very high	95.3	Very high	13 Å²	13	64.3 Å²	64.3	8%	0.08	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-38.8	-179.7	-62.2	0	0	0	0	111.7	M156 D157 T158 A164 R178	M156-T160 WeakPolarHBondContact O-CB 3.31Å; M156-T160 PolarHBondContact O-N 2.97Å; M156-T160 PolarHBondContact O-OG1 3.35Å; D157-T160 PolarHBondContact O-N 3.47Å; T158-T160 PolarHBondContact O-N 3.25Å; T160-A164 VanDerWaalsContact O-CB 3.31Å; T160-A164 WeakPolarHBondContact O-CB 3.47Å; T160-A164 PolarHBondContact O-N 3.03Å; T160-R178 HydrophobicContact CG2-CG 3.81Å
161	S	96.1	Very high	95.7	Very high	77 Å²	77	57.9 Å²	57.9	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-46	176.3	-56	0	0	0	0	111.4	D157 T158 A159 A164 L165	D157-S161 WeakPolarHBondContact O-CB 3.25Å; D157-S161 PolarHBondContact O-N 2.91Å; D157-S161 PolarHBondContact O-OG 3.36Å; T158-S161 PolarHBondContact O-N 3.13Å; A159-S161 VanDerWaalsContact C-N 3.34Å; A159-S161 PolarHBondContact O-N 3.12Å; S161-A164 WeakPolarHBondContact O-CB 3.23Å; S161-A164 PolarHBondContact O-N 2.99Å; S161-L165 PolarHBondContact O-N 2.83Å
162	M	97.5	Very high	95.8	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-38	179.6	-170.8	59.5	64.4	0	0	112.6	L84 M95 A142 A146 T158 A159 A164 L165 L166 W194	L84-M162 HydrophobicContact CD1-SD 4.22Å; L84-M162 HydrophobicContact CD2-SD 3.77Å; M95-M162 HydrophobicContact SD-CE 3.92Å; A142-M162 HydrophobicContact CB-CG 4.05Å; A142-M162 HydrophobicContact CB-SD 4.07Å; A146-M162 HydrophobicContact CB-CE 4.05Å; T158-M162 VanDerWaalsContact O-CB 3.3Å; T158-M162 WeakPolarHBondContact O-CB 3.43Å; T158-M162 PolarHBondContact O-N 3.12Å; A159-M162 PolarHBondContact O-N 3.01Å; M162-A164 VanDerWaalsContact C-N 3.33Å; M162-L165 WeakPolarHBondContact O-CB 3.34Å; M162-L165 PolarHBondContact O-N 3.08Å; M162-L165 HydrophobicContact SD-CD2 4.29Å; M162-L166 HydrophobicContact CG-CD1 4.16Å; M162-L166 WeakPolarHBondContact O-CD1 3.49Å; M162-L166 PolarHBondContact O-N 3.29Å; M162-L166 HydrophobicContact SD-CD1 4.38Å; M162-W194 HydrophobicContact CB-CH2 3.76Å; M162-W194 HydrophobicContact CG-CH2 3.6Å; M162-W194 HydrophobicContact CG-CZ2 3.99Å
163	L	97.9	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-37.1	171.5	-72.1	175.2	0	0	0	112	Y139 A159 L165 L166 L167 F174 F177 L181 L189 W194 I197	Y139-L163 HydrophobicContact CE2-CD2 3.97Å; Y139-L163 VanDerWaalsContact OH-CD2 3.31Å; Y139-L163 WeakPolarHBondContact OH-CD2 3.31Å; A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 VanDerWaalsContact O-CG 3.28Å; A159-L163 WeakPolarHBondContact O-CG 3.43Å; A159-L163 PolarHBondContact O-N 2.67Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.01Å; L163-L166 PolarHBondContact O-N 3.06Å; L163-L167 HydrophobicContact CD2-CD1 4.14Å; L163-L167 WeakPolarHBondContact O-CA 3.4Å; L163-L167 WeakPolarHBondContact O-CB 3.5Å; L163-L167 PolarHBondContact O-N 3.39Å; L163-F174 HydrophobicContact CB-CE2 3.69Å; L163-F174 HydrophobicContact CB-CZ 4.28Å; L163-F177 HydrophobicContact CD1-CE1 4.06Å; L163-L181 HydrophobicContact CD1-CD1 4.08Å; L163-L189 HydrophobicContact CD1-CD1 3.77Å; L163-W194 HydrophobicContact CD1-CZ3 4.26Å; L163-W194 HydrophobicContact CD2-CD2 4.31Å; L163-W194 HydrophobicContact CD2-CE3 3.94Å; L163-W194 HydrophobicContact CD2-CH2 3.58Å; L163-W194 HydrophobicContact CD2-CZ2 4Å; L163-W194 HydrophobicContact CD2-CZ3 3.58Å; L163-W194 HydrophobicContact CG-CE3 4.18Å; L163-W194 HydrophobicContact CG-CH2 3.69Å; L163-W194 HydrophobicContact CG-CZ3 3.48Å; L163-W194 VanDerWaalsContact CG-CZ3 3.48Å; L163-I197 HydrophobicContact CD1-CD1 4.15Å; L163-I197 HydrophobicContact CD1-CG2 4.49Å; L163-I197 HydrophobicContact CD2-CG2 4.04Å
164	A	97.1	Very high	95.9	Very high	19 Å²	19	44 Å²	44	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-39.2	176.8	0	0	0	0	0	112.3	T160 S161 M162 G168 F174	T160-A164 VanDerWaalsContact O-CB 3.31Å; T160-A164 WeakPolarHBondContact O-CB 3.47Å; T160-A164 PolarHBondContact O-N 3.03Å; S161-A164 WeakPolarHBondContact O-CB 3.23Å; S161-A164 PolarHBondContact O-N 2.99Å; M162-A164 VanDerWaalsContact C-N 3.33Å; A164-G168 VanDerWaalsContact O-CA 3.28Å; A164-G168 WeakPolarHBondContact O-CA 3.18Å; A164-G168 PolarHBondContact O-N 2.92Å; A164-F174 VanDerWaalsContact CA-CE1 3.44Å; A164-F174 HydrophobicContact CB-CE1 3.52Å; A164-F174 HydrophobicContact CB-CZ 3.51Å
165	L	96	Very high	95.8	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-47	176.4	-168.4	55.3	0	0	0	111.4	E79 I81 S161 M162 L163	E79-L165 WeakPolarHBondContact O-CD1 3.43Å; I81-L165 HydrophobicContact CB-CD1 3.76Å; I81-L165 HydrophobicContact CB-CD2 4.5Å; I81-L165 HydrophobicContact CB-CG 3.86Å; I81-L165 WeakPolarHBondContact CD1-O 3.42Å; I81-L165 HydrophobicContact CG1-CG 4.22Å; S161-L165 PolarHBondContact O-N 2.83Å; M162-L165 WeakPolarHBondContact O-CB 3.34Å; M162-L165 PolarHBondContact O-N 3.08Å; M162-L165 HydrophobicContact SD-CD2 4.29Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.01Å
166	L	97.2	Very high	95.8	Very high	5 Å²	5	44 Å²	44	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-79.1	-43.5	-175.3	-73.7	160.1	0	0	0	114.3	I81 L84 F135 I138 Y139 A142 M162 L163 W194	I81-L166 HydrophobicContact CD1-CD2 4.28Å; L84-L166 HydrophobicContact CD2-CD1 4.19Å; L84-L166 HydrophobicContact CD2-CD2 3.73Å; L84-L166 HydrophobicContact CD2-CG 4.01Å; F135-L166 HydrophobicContact CE2-CD2 4.3Å; F135-L166 HydrophobicContact CZ-CB 4.27Å; F135-L166 HydrophobicContact CZ-CD2 4.18Å; F135-L166 WeakPolarHBondContact CZ-O 3.31Å; I138-L166 HydrophobicContact CG2-CD2 4.43Å; Y139-L166 HydrophobicContact CD2-CB 4.07Å; Y139-L166 HydrophobicContact CD2-CD1 3.72Å; Y139-L166 HydrophobicContact CD2-CD2 4.4Å; Y139-L166 HydrophobicContact CD2-CG 4.29Å; Y139-L166 HydrophobicContact CE2-CB 4.44Å; Y139-L166 HydrophobicContact CE2-CD1 4.19Å; Y139-L166 HydrophobicContact CG-CD1 4.42Å; A142-L166 HydrophobicContact CB-CD1 3.78Å; M162-L166 HydrophobicContact CG-CD1 4.16Å; M162-L166 WeakPolarHBondContact O-CD1 3.49Å; M162-L166 PolarHBondContact O-N 3.29Å; M162-L166 HydrophobicContact SD-CD1 4.38Å; L163-L166 PolarHBondContact O-N 3.06Å; L166-W194 HydrophobicContact CD1-CH2 4.44Å; L166-W194 HydrophobicContact CD1-CZ2 3.81Å
167	L	97.1	Very high	95.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-113.1	-15.2	-168.5	-58.3	-178.5	0	0	0	113.9	F135 Y139 L163 R169 T170 W171 F174 I197 L198	F135-L167 HydrophobicContact CE1-CD2 4.23Å; F135-L167 HydrophobicContact CZ-CD2 4.08Å; Y139-L167 HydrophobicContact CD2-CD2 4.46Å; Y139-L167 HydrophobicContact CE2-CD1 3.99Å; Y139-L167 HydrophobicContact CE2-CD2 4.23Å; Y139-L167 HydrophobicContact CE2-CG 4.1Å; L163-L167 HydrophobicContact CD2-CD1 4.14Å; L163-L167 WeakPolarHBondContact O-CA 3.4Å; L163-L167 WeakPolarHBondContact O-CB 3.5Å; L163-L167 PolarHBondContact O-N 3.39Å; L167-R169 PolarHBondContact O-N 2.98Å; L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 PolarHBondContact O-N 3.42Å; L167-T170 PolarHBondContact O-OG1 2.97Å; L167-W171 HydrophobicContact CB-CB 4.14Å; L167-W171 HydrophobicContact CB-CE3 4.27Å; L167-W171 HydrophobicContact CD1-CE3 3.91Å; L167-W171 HydrophobicContact CD1-CZ3 4.36Å; L167-W171 PolarHBondContact O-N 3.37Å; L167-F174 HydrophobicContact CB-CD2 4.17Å; L167-I197 HydrophobicContact CD1-CG2 3.88Å; L167-L198 HydrophobicContact CD2-CD1 4.12Å
168	G	94.8	Very high	95.9	Very high	39 Å²	39	41.5 Å²	41.5	40%	0.402	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.6	-170.6	0	0	0	0	0	115.9	A164 F174	A164-G168 VanDerWaalsContact O-CA 3.28Å; A164-G168 WeakPolarHBondContact O-CA 3.18Å; A164-G168 PolarHBondContact O-N 2.92Å; G168-F174 VanDerWaalsContact CA-CD1 3.45Å
169	R	91.2	Very high	96	Very high	249 Å²	249	43.1 Å²	43.1	94%	0.94	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-19.5	173	-61.8	-174.4	-177	-167.5	1.2	114	L167	L167-R169 PolarHBondContact O-N 2.98Å
170	T	92.7	Very high	95.9	Very high	96 Å²	96	43.7 Å²	43.7	59%	0.589	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-27	-167.7	50.7	0	0	0	0	113.3	L167	L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 PolarHBondContact O-N 3.42Å; L167-T170 PolarHBondContact O-OG1 2.97Å
171	W	96.1	Very high	95.9	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.042	23%	0.232	C	C	.	.			trans	-105.9	111.1	-179.3	-179.8	37.3	0	0	0	111.1	L167 L173 F174 F177 I197 F200	L167-W171 HydrophobicContact CB-CB 4.14Å; L167-W171 HydrophobicContact CB-CE3 4.27Å; L167-W171 HydrophobicContact CD1-CE3 3.91Å; L167-W171 HydrophobicContact CD1-CZ3 4.36Å; L167-W171 PolarHBondContact O-N 3.37Å; W171-L173 HydrophobicContact CD2-CB 4.5Å; W171-L173 HydrophobicContact CZ2-CB 3.99Å; W171-L173 PolarHBondContact O-N 3.39Å; W171-L173 VanDerWaalsContact O-N 3.13Å; W171-F174 HydrophobicContact CB-CB 4.28Å; W171-F174 HydrophobicContact CD2-CB 4.23Å; W171-F174 HydrophobicContact CE3-CB 3.75Å; W171-F174 AromaticContact CE3-CD2 3.84Å; W171-F174 HydrophobicContact CE3-CD2 3.84Å; W171-F174 HydrophobicContact CE3-CG 4.31Å; W171-F174 HydrophobicContact CG-CB 4.5Å; W171-F174 HydrophobicContact CZ3-CB 4.49Å; W171-F174 HydrophobicContact CZ3-CD2 4.04Å; W171-F174 VanDerWaalsContact O-CB 3.3Å; W171-F174 WeakPolarHBondContact O-CB 3.47Å; W171-F174 PolarHBondContact O-N 2.92Å; W171-F177 HydrophobicContact CH2-CB 3.55Å; W171-F177 AromaticContact CH2-CD1 3.64Å; W171-F177 HydrophobicContact CH2-CD1 3.64Å; W171-F177 AromaticContact CH2-CD2 3.77Å; W171-F177 HydrophobicContact CH2-CD2 3.77Å; W171-F177 HydrophobicContact CH2-CE1 4.22Å; W171-F177 HydrophobicContact CH2-CE2 4.36Å; W171-F177 AromaticContact CH2-CG 3.36Å; W171-F177 HydrophobicContact CH2-CG 3.36Å; W171-F177 HydrophobicContact CZ2-CB 4.39Å; W171-F177 HydrophobicContact CZ2-CG 4.49Å; W171-F177 HydrophobicContact CZ3-CB 3.75Å; W171-F177 AromaticContact CZ3-CD1 3.45Å; W171-F177 HydrophobicContact CZ3-CD1 3.45Å; W171-F177 VanDerWaalsContact CZ3-CD1 3.45Å; W171-F177 HydrophobicContact CZ3-CD2 4.43Å; W171-F177 HydrophobicContact CZ3-CE1 4.12Å; W171-F177 AromaticContact CZ3-CG 3.63Å; W171-F177 HydrophobicContact CZ3-CG 3.63Å; W171-I197 HydrophobicContact CZ3-CG2 4.16Å; W171-F200 HydrophobicContact CH2-CD1 4.48Å; W171-F200 AromaticContact CZ2-CD1 3.74Å; W171-F200 HydrophobicContact CZ2-CD1 3.74Å; W171-F200 AromaticContact CZ2-CE1 3.86Å; W171-F200 HydrophobicContact CZ2-CE1 3.86Å
172	P	95	Very high	95.8	Very high	81 Å²	81	45.3 Å²	45.3	53%	0.526	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.6	-173.5	-26.2	35.3	0	0	0	115.2	T206	P172-T206 HydrophobicContact CB-CG2 3.81Å; P172-T206 HydrophobicContact CG-CG2 3.97Å
173	L	95.1	Very high	95.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.2	177.2	-65.5	176.6	0	0	0	113.4	W171 S175 V176 F177 L208 F224 P237	W171-L173 HydrophobicContact CD2-CB 4.5Å; W171-L173 HydrophobicContact CZ2-CB 3.99Å; W171-L173 PolarHBondContact O-N 3.39Å; W171-L173 VanDerWaalsContact O-N 3.13Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.99Å; L173-V176 WeakPolarHBondContact O-CB 3.38Å; L173-V176 PolarHBondContact O-N 3.35Å; L173-F177 PolarHBondContact O-N 2.86Å; L173-L208 HydrophobicContact CD1-CD2 3.74Å; L173-F224 HydrophobicContact CB-CZ 4.49Å; L173-P237 HydrophobicContact CD2-CG 4.1Å
174	F	97.1	Very high	95.2	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-41	-172.9	178.6	-98.3	0	0	0	113.4	L163 A164 L167 G168 W171 V176 F177 R178	L163-F174 HydrophobicContact CB-CE2 3.69Å; L163-F174 HydrophobicContact CB-CZ 4.28Å; A164-F174 VanDerWaalsContact CA-CE1 3.44Å; A164-F174 HydrophobicContact CB-CE1 3.52Å; A164-F174 HydrophobicContact CB-CZ 3.51Å; L167-F174 HydrophobicContact CB-CD2 4.17Å; G168-F174 VanDerWaalsContact CA-CD1 3.45Å; W171-F174 HydrophobicContact CB-CB 4.28Å; W171-F174 HydrophobicContact CD2-CB 4.23Å; W171-F174 HydrophobicContact CE3-CB 3.75Å; W171-F174 AromaticContact CE3-CD2 3.84Å; W171-F174 HydrophobicContact CE3-CD2 3.84Å; W171-F174 HydrophobicContact CE3-CG 4.31Å; W171-F174 HydrophobicContact CG-CB 4.5Å; W171-F174 HydrophobicContact CZ3-CB 4.49Å; W171-F174 HydrophobicContact CZ3-CD2 4.04Å; W171-F174 VanDerWaalsContact O-CB 3.3Å; W171-F174 WeakPolarHBondContact O-CB 3.47Å; W171-F174 PolarHBondContact O-N 2.92Å; F174-V176 PolarHBondContact O-N 2.95Å; F174-F177 PolarHBondContact O-N 3.03Å; F174-R178 HydrophobicContact CE1-CB 4.19Å; F174-R178 HydrophobicContact CZ-CB 4.08Å; F174-R178 WeakPolarHBondContact O-CB 3.07Å; F174-R178 PolarHBondContact O-N 3.17Å
175	S	95.5	Very high	95.1	Very high	68 Å²	68	57.7 Å²	57.7	48%	0.476	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-31.9	178.8	56.3	0	0	0	0	112.9	L173 Q179	L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.99Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.04Å
176	V	95.2	Very high	95.1	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-84.6	-37.7	179.1	179.6	0	0	0	0	110.8	L173 F174 Q179 F180 F224 W227 P237	L173-V176 WeakPolarHBondContact O-CB 3.38Å; L173-V176 PolarHBondContact O-N 3.35Å; F174-V176 PolarHBondContact O-N 2.95Å; V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 2.81Å; V176-F180 PolarHBondContact O-N 2.74Å; V176-F180 VanDerWaalsContact O-N 3.09Å; V176-F224 HydrophobicContact CG1-CE2 4.25Å; V176-W227 HydrophobicContact CG1-CZ3 3.82Å; V176-P237 HydrophobicContact CG2-CG 4.14Å
177	F	97.4	Very high	95	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-40.5	172.7	-174.8	-109.8	0	0	0	112.2	L163 W171 L173 F174 Q179 F180 L181 I197 L220 L221 F224	L163-F177 HydrophobicContact CD1-CE1 4.06Å; W171-F177 HydrophobicContact CH2-CB 3.55Å; W171-F177 AromaticContact CH2-CD1 3.64Å; W171-F177 HydrophobicContact CH2-CD1 3.64Å; W171-F177 AromaticContact CH2-CD2 3.77Å; W171-F177 HydrophobicContact CH2-CD2 3.77Å; W171-F177 HydrophobicContact CH2-CE1 4.22Å; W171-F177 HydrophobicContact CH2-CE2 4.36Å; W171-F177 AromaticContact CH2-CG 3.36Å; W171-F177 HydrophobicContact CH2-CG 3.36Å; W171-F177 HydrophobicContact CZ2-CB 4.39Å; W171-F177 HydrophobicContact CZ2-CG 4.49Å; W171-F177 HydrophobicContact CZ3-CB 3.75Å; W171-F177 AromaticContact CZ3-CD1 3.45Å; W171-F177 HydrophobicContact CZ3-CD1 3.45Å; W171-F177 VanDerWaalsContact CZ3-CD1 3.45Å; W171-F177 HydrophobicContact CZ3-CD2 4.43Å; W171-F177 HydrophobicContact CZ3-CE1 4.12Å; W171-F177 AromaticContact CZ3-CG 3.63Å; W171-F177 HydrophobicContact CZ3-CG 3.63Å; L173-F177 PolarHBondContact O-N 2.86Å; F174-F177 PolarHBondContact O-N 3.03Å; F177-Q179 PolarHBondContact O-N 2.89Å; F177-F180 HydrophobicContact CD2-CD1 4.24Å; F177-F180 HydrophobicContact CE2-CD1 4.15Å; F177-F180 HydrophobicContact CE2-CE1 4.42Å; F177-F180 WeakPolarHBondContact O-CB 3.3Å; F177-F180 PolarHBondContact O-N 2.92Å; F177-L181 HydrophobicContact CD1-CD1 3.96Å; F177-L181 HydrophobicContact CD1-CG 4.21Å; F177-L181 HydrophobicContact CE1-CD1 3.63Å; F177-L181 HydrophobicContact CE1-CD2 4.16Å; F177-L181 HydrophobicContact CE1-CG 3.94Å; F177-L181 HydrophobicContact CZ-CD1 4.29Å; F177-L181 HydrophobicContact CZ-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CG 4.2Å; F177-L181 WeakPolarHBondContact O-CG 3.29Å; F177-L181 PolarHBondContact O-N 2.79Å; F177-I197 HydrophobicContact CE1-CD1 3.93Å; F177-I197 HydrophobicContact CE1-CG1 4.14Å; F177-I197 HydrophobicContact CE1-CG2 4.14Å; F177-I197 HydrophobicContact CZ-CD1 3.73Å; F177-I197 HydrophobicContact CZ-CG1 3.77Å; F177-L220 HydrophobicContact CE2-CD2 4Å; F177-L220 HydrophobicContact CZ-CD2 3.79Å; F177-L221 HydrophobicContact CE2-CD2 3.92Å; F177-L221 HydrophobicContact CZ-CD2 4.23Å; F177-F224 HydrophobicContact CB-CE2 4Å; F177-F224 HydrophobicContact CB-CZ 4.01Å; F177-F224 HydrophobicContact CD2-CB 4.29Å; F177-F224 AromaticContact CD2-CD1 3.82Å; F177-F224 HydrophobicContact CD2-CD1 3.82Å; F177-F224 AromaticContact CD2-CD2 3.69Å; F177-F224 HydrophobicContact CD2-CD2 3.69Å; F177-F224 HydrophobicContact CD2-CE1 4.02Å; F177-F224 AromaticContact CD2-CE2 3.89Å; F177-F224 HydrophobicContact CD2-CE2 3.89Å; F177-F224 AromaticContact CD2-CG 3.64Å; F177-F224 HydrophobicContact CD2-CG 3.64Å; F177-F224 HydrophobicContact CD2-CZ 4.05Å; F177-F224 HydrophobicContact CE2-CB 4.24Å; F177-F224 HydrophobicContact CE2-CD1 4.28Å; F177-F224 HydrophobicContact CE2-CD2 4.44Å; F177-F224 HydrophobicContact CE2-CG 4.06Å; F177-F224 HydrophobicContact CG-CE2 4.47Å
178	R	96.4	Very high	94.9	Very high	93 Å²	93	66.2 Å²	66.2	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-56	-49.8	171.1	172.8	-173.8	-82.6	-176.9	-14.6	111.4	T160 F174 F180 L181 E182	T160-R178 HydrophobicContact CG2-CG 3.81Å; F174-R178 HydrophobicContact CE1-CB 4.19Å; F174-R178 HydrophobicContact CZ-CB 4.08Å; F174-R178 WeakPolarHBondContact O-CB 3.07Å; F174-R178 PolarHBondContact O-N 3.17Å; R178-F180 PolarHBondContact O-N 3.4Å; R178-L181 PolarHBondContact O-N 3.14Å; R178-L181 VanDerWaalsContact O-N 3.11Å; R178-E182 WeakPolarHBondContact CD-OE1 3.28Å; R178-E182 HydrophobicContact CG-CG 4.32Å; R178-E182 WeakPolarHBondContact CG-OE1 3.4Å; R178-E182 WeakPolarHBondContact O-CG 3.24Å; R178-E182 PolarHBondContact O-N 3.37Å
179	Q	95.8	Very high	95.1	Very high	69 Å²	69	64.3 Å²	64.3	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-36.4	177.6	-72	168.9	16.6	0	0	112.4	S175 V176 F177 Q183 W227	S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.04Å; V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 2.81Å; F177-Q179 PolarHBondContact O-N 2.89Å; Q179-Q183 WeakPolarHBondContact O-CB 3.09Å; Q179-Q183 WeakPolarHBondContact O-CG 3.44Å; Q179-Q183 PolarHBondContact O-N 2.98Å; Q179-Q183 PolarHBondContact O-NE2 3.02Å; Q179-Q183 VanDerWaalsContact O-NE2 3.08Å; Q179-W227 HydrophobicContact CB-CH2 3.85Å
180	F	96.6	Very high	95.4	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-50.3	172.9	164	-100	0	0	0	111.3	V176 F177 R178 E182 Q183 S184 Y186 L220 E223 F224 W227	V176-F180 PolarHBondContact O-N 2.74Å; V176-F180 VanDerWaalsContact O-N 3.09Å; F177-F180 HydrophobicContact CD2-CD1 4.24Å; F177-F180 HydrophobicContact CE2-CD1 4.15Å; F177-F180 HydrophobicContact CE2-CE1 4.42Å; F177-F180 WeakPolarHBondContact O-CB 3.3Å; F177-F180 PolarHBondContact O-N 2.92Å; R178-F180 PolarHBondContact O-N 3.4Å; F180-E182 VanDerWaalsContact C-N 3.34Å; F180-E182 PolarHBondContact O-N 3.19Å; F180-Q183 CarbonylContact O-C 3.54Å; F180-Q183 PolarHBondContact O-N 3.04Å; F180-Q183 VanDerWaalsContact O-N 3.12Å; F180-S184 VanDerWaalsContact O-CB 3.3Å; F180-S184 WeakPolarHBondContact O-CB 3.22Å; F180-S184 PolarHBondContact O-N 2.96Å; F180-Y186 HydrophobicContact CZ-CE2 4.42Å; F180-L220 HydrophobicContact CE1-CD2 4.3Å; F180-L220 HydrophobicContact CE1-CG 4.22Å; F180-L220 WeakPolarHBondContact CE1-O 3.49Å; F180-L220 WeakPolarHBondContact CZ-O 3.4Å; F180-E223 HydrophobicContact CE2-CB 4.15Å; F180-E223 HydrophobicContact CZ-CB 3.93Å; F180-F224 HydrophobicContact CB-CD2 3.77Å; F180-F224 HydrophobicContact CB-CE2 4.31Å; F180-F224 HydrophobicContact CD1-CB 3.87Å; F180-F224 AromaticContact CD1-CD2 3.96Å; F180-F224 HydrophobicContact CD1-CD2 3.96Å; F180-F224 HydrophobicContact CD1-CG 4.3Å; F180-F224 HydrophobicContact CD2-CB 4.4Å; F180-F224 HydrophobicContact CD2-CD2 4.38Å; F180-F224 HydrophobicContact CE1-CB 3.75Å; F180-F224 HydrophobicContact CE2-CB 4.29Å; F180-F224 HydrophobicContact CG-CB 4.19Å; F180-F224 AromaticContact CG-CD2 3.78Å; F180-F224 HydrophobicContact CG-CD2 3.78Å; F180-F224 HydrophobicContact CG-CG 4.46Å; F180-F224 HydrophobicContact CZ-CB 3.97Å; F180-W227 HydrophobicContact CB-CD2 4.21Å; F180-W227 HydrophobicContact CB-CE3 3.85Å; F180-W227 HydrophobicContact CB-CH2 3.99Å; F180-W227 HydrophobicContact CB-CZ2 4.41Å; F180-W227 HydrophobicContact CB-CZ3 3.73Å; F180-W227 HydrophobicContact CD2-CB 4.01Å; F180-W227 AromaticContact CD2-CD2 3.99Å; F180-W227 HydrophobicContact CD2-CD2 3.99Å; F180-W227 HydrophobicContact CD2-CE3 4.26Å; F180-W227 AromaticContact CD2-CG 3.91Å; F180-W227 HydrophobicContact CD2-CG 3.91Å; F180-W227 HydrophobicContact CE2-CB 4.3Å; F180-W227 HydrophobicContact CG-CE3 4.48Å
181	L	96.5	Very high	95.6	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-47.1	178.6	-69.3	-178	0	0	0	112	M156 L163 F177 R178 Q183 S184 L189 L220	M156-L181 HydrophobicContact CE-CD2 4.15Å; M156-L181 HydrophobicContact SD-CB 3.9Å; M156-L181 HydrophobicContact SD-CD1 4.19Å; M156-L181 HydrophobicContact SD-CD2 4.01Å; M156-L181 HydrophobicContact SD-CG 4.25Å; L163-L181 HydrophobicContact CD1-CD1 4.08Å; F177-L181 HydrophobicContact CD1-CD1 3.96Å; F177-L181 HydrophobicContact CD1-CG 4.21Å; F177-L181 HydrophobicContact CE1-CD1 3.63Å; F177-L181 HydrophobicContact CE1-CD2 4.16Å; F177-L181 HydrophobicContact CE1-CG 3.94Å; F177-L181 HydrophobicContact CZ-CD1 4.29Å; F177-L181 HydrophobicContact CZ-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CG 4.2Å; F177-L181 WeakPolarHBondContact O-CG 3.29Å; F177-L181 PolarHBondContact O-N 2.79Å; R178-L181 PolarHBondContact O-N 3.14Å; R178-L181 VanDerWaalsContact O-N 3.11Å; L181-Q183 VanDerWaalsContact C-N 3.26Å; L181-Q183 PolarHBondContact O-N 2.93Å; L181-S184 WeakPolarHBondContact O-CB 3.14Å; L181-S184 PolarHBondContact O-N 3.25Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-S184 PolarHBondContact O-OG 3.38Å; L181-L189 HydrophobicContact CD2-CD2 4.41Å; L181-L220 HydrophobicContact CD2-CD1 4.43Å; L181-L220 HydrophobicContact CD2-CD2 4.41Å
182	E	93.3	Very high	95.7	Very high	123 Å²	123	58.5 Å²	58.5	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-58.6	-32.1	177.5	-71.9	166.5	179	0	0	113.4	R178 F180	R178-E182 WeakPolarHBondContact CD-OE1 3.28Å; R178-E182 HydrophobicContact CG-CG 4.32Å; R178-E182 WeakPolarHBondContact CG-OE1 3.4Å; R178-E182 WeakPolarHBondContact O-CG 3.24Å; R178-E182 PolarHBondContact O-N 3.37Å; F180-E182 VanDerWaalsContact C-N 3.34Å; F180-E182 PolarHBondContact O-N 3.19Å
183	Q	92.1	Very high	95.9	Very high	130 Å²	130	55.8 Å²	55.8	61%	0.607	27%	0.268	S	S	*	.	H	α-helix	trans	-95.7	-6.3	179.4	-69.3	168.8	55.6	0	0	113.3	Q179 F180 L181	Q179-Q183 WeakPolarHBondContact O-CB 3.09Å; Q179-Q183 WeakPolarHBondContact O-CG 3.44Å; Q179-Q183 PolarHBondContact O-N 2.98Å; Q179-Q183 PolarHBondContact O-NE2 3.02Å; Q179-Q183 VanDerWaalsContact O-NE2 3.08Å; F180-Q183 CarbonylContact O-C 3.54Å; F180-Q183 PolarHBondContact O-N 3.04Å; F180-Q183 VanDerWaalsContact O-N 3.12Å; L181-Q183 VanDerWaalsContact C-N 3.26Å; L181-Q183 PolarHBondContact O-N 2.93Å
184	S	92.3	Very high	96.1	Very high	24 Å²	24	55.7 Å²	55.7	17%	0.168	27%	0.268	C	S	.	.	S	Bend	trans	-78.8	162.8	-170.6	78	0	0	0	0	113.3	F180 L181 Y186	F180-S184 VanDerWaalsContact O-CB 3.3Å; F180-S184 WeakPolarHBondContact O-CB 3.22Å; F180-S184 PolarHBondContact O-N 2.96Å; L181-S184 WeakPolarHBondContact O-CB 3.14Å; L181-S184 PolarHBondContact O-N 3.25Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-S184 PolarHBondContact O-OG 3.38Å; S184-Y186 PolarHBondContact O-N 3.48Å; S184-Y186 PolarHBondContact OG-N 3.05Å
185	K	94.3	Very high	96.1	Very high	140 Å²	140	58.4 Å²	58.4	61%	0.609	28%	0.278	S	S	*	.	S	Bend	trans	-73.4	-13	171.3	68.1	-161.5	176.8	-155.9	0	113.6	E223	K185-E223 WeakPolarHBondContact CE-OE1 3.38Å; K185-E223 WeakPolarHBondContact CE-OE2 3.3Å; K185-E223 IonicContact NZ-OE1 2.61Å; K185-E223 PolarHBondContact NZ-OE1 3.09Å; K185-E223 IonicContact NZ-OE2 2.93Å; K185-E223 PolarHBondContact NZ-OE2 3.3Å
186	Y	95.6	Very high	96.2	Very high	42 Å²	42	56.8 Å²	56.8	17%	0.165	26%	0.264	C	S	.	.			trans	-73	136.6	-173.8	-62.2	-76.6	0	0	0	111.1	M156 F180 S184 L220 E223	M156-Y186 VanDerWaalsContact CE-CB 3.43Å; M156-Y186 WeakPolarHBondContact CE-O 3.37Å; F180-Y186 HydrophobicContact CZ-CE2 4.42Å; S184-Y186 PolarHBondContact O-N 3.48Å; S184-Y186 PolarHBondContact OG-N 3.05Å; Y186-L220 HydrophobicContact CD1-CD1 4.12Å; Y186-L220 HydrophobicContact CD2-CD1 3.67Å; Y186-L220 HydrophobicContact CD2-CG 4.08Å; Y186-L220 HydrophobicContact CE1-CB 4.38Å; Y186-L220 HydrophobicContact CE1-CD1 4.26Å; Y186-L220 HydrophobicContact CE2-CB 3.99Å; Y186-L220 HydrophobicContact CE2-CD1 3.84Å; Y186-L220 HydrophobicContact CE2-CG 3.8Å; Y186-L220 HydrophobicContact CG-CD1 3.84Å; Y186-L220 WeakPolarHBondContact OH-CA 3.34Å; Y186-L220 PolarHBondContact OH-N 3.32Å; Y186-E223 VanDerWaalsContact OH-CD 3.3Å; Y186-E223 PolarHBondContact OH-OE1 3.23Å; Y186-E223 PolarHBondContact OH-OE2 2.99Å
187	K	94.8	Very high	96.4	Very high	180 Å²	180	56.4 Å²	56.4	78%	0.783	26%	0.262	S	S	*	.	S	Bend	trans	-98.6	-1.3	177.1	-60.4	-53.7	-177.7	-170.7	0	113.9	M156	M156-K187 PolarHBondContact N-O 2.9Å; M156-K187 VanDerWaalsContact N-O 3.17Å
188	G	96.4	Very high	96.4	Very high	15 Å²	15	56.6 Å²	56.6	16%	0.155	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	170.4	-177.2	0	0	0	0	0	112.1	L154	L154-G188 CarbonylContact O-C 3.55Å; L154-G188 WeakPolarHBondContact O-CA 3.46Å
189	L	98.2	Very high	96.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	175.9	-60.3	-173.2	0	0	0	110.3	F143 S153 L154 M156 A159 L163 L181 W194 I197 L220	F143-L189 WeakPolarHBondContact CE2-O 3.37Å; S153-L189 CarbonylContact C-O 3.29Å; S153-L189 VanDerWaalsContact CA-O 3.29Å; S153-L189 WeakPolarHBondContact CA-O 2.88Å; S153-L189 VanDerWaalsContact CB-O 3.22Å; S153-L189 WeakPolarHBondContact CB-O 3.24Å; L154-L189 PolarHBondContact N-O 3.48Å; L154-L189 PolarHBondContact O-N 2.86Å; M156-L189 HydrophobicContact CE-CD2 4.17Å; A159-L189 HydrophobicContact CB-CB 4.32Å; A159-L189 HydrophobicContact CB-CD1 3.9Å; A159-L189 HydrophobicContact CB-CG 3.95Å; L163-L189 HydrophobicContact CD1-CD1 3.77Å; L181-L189 HydrophobicContact CD2-CD2 4.41Å; L189-W194 HydrophobicContact CD1-CE3 4.14Å; L189-I197 HydrophobicContact CD1-CD1 3.67Å; L189-L220 HydrophobicContact CD2-CD1 3.43Å; L189-L220 VanDerWaalsContact CD2-CD1 3.43Å
190	N	97.8	Very high	96.6	Very high	67 Å²	67	52.2 Å²	52.2	36%	0.358	25%	0.247	S	C	.	.			trans	-83.1	171.5	169.3	77	42	0	0	0	111.2	D192 Q193 W194	N190-D192 VanDerWaalsContact C-N 3.32Å; N190-D192 PolarHBondContact O-N 3.4Å; N190-D192 WeakPolarHBondContact OD1-CB 3.21Å; N190-D192 PolarHBondContact OD1-N 3.49Å; N190-Q193 VanDerWaalsContact CG-OE1 3.29Å; N190-Q193 PolarHBondContact ND2-OE1 3.3Å; N190-Q193 PolarHBondContact O-N 3.38Å; N190-Q193 PolarHBondContact OD1-N 2.83Å; N190-W194 WeakPolarHBondContact O-CB 3.3Å; N190-W194 PolarHBondContact O-N 2.92Å
191	K	97.4	Very high	96.6	Very high	77 Å²	77	52.7 Å²	52.7	34%	0.335	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-35.7	-175	-165.5	163.3	-167.5	152.7	0	113.7	F143 D144 Y195	F143-K191 HydrophobicContact CD1-CB 4.15Å; F143-K191 HydrophobicContact CD1-CD 4.05Å; F143-K191 HydrophobicContact CD1-CG 3.86Å; F143-K191 HydrophobicContact CE1-CB 3.59Å; F143-K191 HydrophobicContact CE1-CD 3.97Å; F143-K191 HydrophobicContact CE1-CG 3.79Å; F143-K191 HydrophobicContact CE2-CB 4.4Å; F143-K191 HydrophobicContact CG-CG 4.49Å; F143-K191 HydrophobicContact CZ-CB 3.73Å; F143-K191 HydrophobicContact CZ-CG 4.36Å; F143-K191 VanDerWaalsContact CZ-N 3.34Å; D144-K191 IonicContact OD1-NZ 3.78Å; D144-K191 PolarHBondContact OD1-NZ 3.4Å; D144-K191 IonicContact OD2-NZ 2.74Å; D144-K191 PolarHBondContact OD2-NZ 2.91Å; K191-Y195 HydrophobicContact CD-CE1 4.48Å; K191-Y195 WeakPolarHBondContact CE-OH 3.31Å; K191-Y195 HydrophobicContact CG-CD1 4.11Å; K191-Y195 HydrophobicContact CG-CE1 3.72Å; K191-Y195 WeakPolarHBondContact O-CB 3.37Å; K191-Y195 WeakPolarHBondContact O-CD1 3.38Å; K191-Y195 PolarHBondContact O-N 3.46Å; K191-Y195 VanDerWaalsContact O-N 3.08Å
192	D	97.8	Very high	96.6	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	27%	0.27	S	S	.	.	H	α-helix	trans	-70.8	-47.6	179.4	175.8	79.2	0	0	0	111.1	N190 W194 Y195 N196 P218	N190-D192 VanDerWaalsContact C-N 3.32Å; N190-D192 PolarHBondContact O-N 3.4Å; N190-D192 WeakPolarHBondContact OD1-CB 3.21Å; N190-D192 PolarHBondContact OD1-N 3.49Å; D192-W194 VanDerWaalsContact C-N 3.33Å; D192-W194 PolarHBondContact O-N 2.91Å; D192-Y195 PolarHBondContact O-N 3.09Å; D192-Y195 VanDerWaalsContact O-N 3.12Å; D192-N196 VanDerWaalsContact CG-ND2 3.33Å; D192-N196 WeakPolarHBondContact O-CB 3.49Å; D192-N196 PolarHBondContact O-N 2.85Å; D192-N196 PolarHBondContact O-ND2 2.94Å; D192-N196 PolarHBondContact OD1-ND2 3.24Å; D192-N196 VanDerWaalsContact OD1-ND2 3.12Å; D192-N196 PolarHBondContact OD2-ND2 2.66Å; D192-P218 WeakPolarHBondContact OD2-CG 3.15Å
193	Q	98.3	Very high	96.7	Very high	24 Å²	24	54.7 Å²	54.7	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-55.7	-47.8	172.9	-69.6	167	-35.9	0	0	111.2	N190 Y195 N196 I197 P218	N190-Q193 VanDerWaalsContact CG-OE1 3.29Å; N190-Q193 PolarHBondContact ND2-OE1 3.3Å; N190-Q193 PolarHBondContact O-N 3.38Å; N190-Q193 PolarHBondContact OD1-N 2.83Å; Q193-Y195 VanDerWaalsContact C-N 3.32Å; Q193-Y195 PolarHBondContact O-N 2.72Å; Q193-N196 PolarHBondContact O-N 2.93Å; Q193-I197 WeakPolarHBondContact O-CD1 3.41Å; Q193-I197 VanDerWaalsContact O-CG1 3.24Å; Q193-I197 WeakPolarHBondContact O-CG1 3.42Å; Q193-I197 PolarHBondContact O-N 3.03Å; Q193-P218 HydrophobicContact CG-CB 4.09Å
194	W	98.5	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.1	-46.9	175.8	-173.6	-91.7	0	0	0	111.9	Y139 A142 F143 L154 A159 M162 L163 L166 L189 N190 D192 I197	Y139-W194 AromaticContact CD1-CD1 3.9Å; Y139-W194 AromaticContact CD1-NE1 3.5Å; Y139-W194 AromaticContact CE1-CD1 3.27Å; Y139-W194 HydrophobicContact CE1-CD2 4.43Å; Y139-W194 AromaticContact CE1-CE2 3.89Å; Y139-W194 HydrophobicContact CE1-CG 4.09Å; Y139-W194 AromaticContact CE1-NE1 3.13Å; Y139-W194 WeakPolarHBondContact CE1-O 3.5Å; Y139-W194 HydrophobicContact CE2-CZ2 4.27Å; Y139-W194 AromaticContact CZ-CD1 3.85Å; Y139-W194 AromaticContact CZ-CE2 3.76Å; Y139-W194 AromaticContact CZ-NE1 3.5Å; Y139-W194 PolarHBondContact O-NE1 2.91Å; Y139-W194 PolarHBondContact OH-O 2.97Å; A142-W194 HydrophobicContact CB-CZ2 4.26Å; F143-W194 HydrophobicContact CB-CD2 4.21Å; F143-W194 HydrophobicContact CB-CG 3.98Å; F143-W194 HydrophobicContact CD2-CB 3.66Å; F143-W194 AromaticContact CD2-CD2 3.89Å; F143-W194 HydrophobicContact CD2-CD2 3.89Å; F143-W194 HydrophobicContact CD2-CE3 4.21Å; F143-W194 AromaticContact CD2-CG 3.63Å; F143-W194 HydrophobicContact CD2-CG 3.63Å; F143-W194 HydrophobicContact CE2-CB 4.17Å; F143-W194 HydrophobicContact CG-CB 4.41Å; F143-W194 HydrophobicContact CG-CG 4.15Å; L154-W194 HydrophobicContact CD1-CD2 4.37Å; L154-W194 HydrophobicContact CD1-CE3 3.67Å; L154-W194 HydrophobicContact CD1-CH2 4.2Å; L154-W194 HydrophobicContact CD1-CZ3 3.55Å; A159-W194 HydrophobicContact CB-CZ3 4.25Å; M162-W194 HydrophobicContact CB-CH2 3.76Å; M162-W194 HydrophobicContact CG-CH2 3.6Å; M162-W194 HydrophobicContact CG-CZ2 3.99Å; L163-W194 HydrophobicContact CD1-CZ3 4.26Å; L163-W194 HydrophobicContact CD2-CD2 4.31Å; L163-W194 HydrophobicContact CD2-CE3 3.94Å; L163-W194 HydrophobicContact CD2-CH2 3.58Å; L163-W194 HydrophobicContact CD2-CZ2 4Å; L163-W194 HydrophobicContact CD2-CZ3 3.58Å; L163-W194 HydrophobicContact CG-CE3 4.18Å; L163-W194 HydrophobicContact CG-CH2 3.69Å; L163-W194 HydrophobicContact CG-CZ3 3.48Å; L163-W194 VanDerWaalsContact CG-CZ3 3.48Å; L166-W194 HydrophobicContact CD1-CH2 4.44Å; L166-W194 HydrophobicContact CD1-CZ2 3.81Å; L189-W194 HydrophobicContact CD1-CE3 4.14Å; N190-W194 WeakPolarHBondContact O-CB 3.3Å; N190-W194 PolarHBondContact O-N 2.92Å; D192-W194 VanDerWaalsContact C-N 3.33Å; D192-W194 PolarHBondContact O-N 2.91Å; W194-I197 PolarHBondContact O-N 3.14Å
195	Y	98.1	Very high	96.9	Very high	65 Å²	65	50.6 Å²	50.6	26%	0.255	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-39.2	-175.6	-79.2	31.5	0	0	0	111.4	R140 K191 D192 Q193 L198 E199	R140-Y195 HydrophobicContact CB-CE1 4.12Å; R140-Y195 HydrophobicContact CG-CD1 4.28Å; R140-Y195 HydrophobicContact CG-CD2 4.35Å; R140-Y195 HydrophobicContact CG-CE1 3.78Å; R140-Y195 HydrophobicContact CG-CE2 3.86Å; K191-Y195 HydrophobicContact CD-CE1 4.48Å; K191-Y195 WeakPolarHBondContact CE-OH 3.31Å; K191-Y195 HydrophobicContact CG-CD1 4.11Å; K191-Y195 HydrophobicContact CG-CE1 3.72Å; K191-Y195 WeakPolarHBondContact O-CB 3.37Å; K191-Y195 WeakPolarHBondContact O-CD1 3.38Å; K191-Y195 PolarHBondContact O-N 3.46Å; K191-Y195 VanDerWaalsContact O-N 3.08Å; D192-Y195 PolarHBondContact O-N 3.09Å; D192-Y195 VanDerWaalsContact O-N 3.12Å; Q193-Y195 VanDerWaalsContact C-N 3.32Å; Q193-Y195 PolarHBondContact O-N 2.72Å; Y195-L198 PolarHBondContact O-N 3.24Å; Y195-E199 PolarHBondContact O-N 2.92Å
196	N	98.3	Very high	96.8	Very high	34 Å²	34	46.1 Å²	46.1	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-71.2	-31	177.7	-77.3	-58.7	0	0	0	113.1	D192 Q193 L198 E199 F200 W217 P218 L221	D192-N196 VanDerWaalsContact CG-ND2 3.33Å; D192-N196 WeakPolarHBondContact O-CB 3.49Å; D192-N196 PolarHBondContact O-N 2.85Å; D192-N196 PolarHBondContact O-ND2 2.94Å; D192-N196 PolarHBondContact OD1-ND2 3.24Å; D192-N196 VanDerWaalsContact OD1-ND2 3.12Å; D192-N196 PolarHBondContact OD2-ND2 2.66Å; Q193-N196 PolarHBondContact O-N 2.93Å; N196-L198 VanDerWaalsContact C-N 3.28Å; N196-L198 PolarHBondContact O-N 3.37Å; N196-E199 PolarHBondContact O-N 3.13Å; N196-E199 VanDerWaalsContact O-N 3.13Å; N196-F200 VanDerWaalsContact O-CB 3.31Å; N196-F200 WeakPolarHBondContact O-CB 3.47Å; N196-F200 PolarHBondContact O-N 3.02Å; N196-W217 HydrophobicContact CB-CE3 4.19Å; N196-W217 HydrophobicContact CB-CZ3 4.19Å; N196-P218 HydrophobicContact CB-CG 3.68Å; N196-P218 WeakPolarHBondContact ND2-CG 3.47Å; N196-L221 HydrophobicContact CB-CD1 4.1Å
197	I	98.4	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-40.9	173	-72.9	159.4	0	0	0	111.4	L163 L167 W171 F177 L189 Q193 W194 S201 L220 L221	L163-I197 HydrophobicContact CD1-CD1 4.15Å; L163-I197 HydrophobicContact CD1-CG2 4.49Å; L163-I197 HydrophobicContact CD2-CG2 4.04Å; L167-I197 HydrophobicContact CD1-CG2 3.88Å; W171-I197 HydrophobicContact CZ3-CG2 4.16Å; F177-I197 HydrophobicContact CE1-CD1 3.93Å; F177-I197 HydrophobicContact CE1-CG1 4.14Å; F177-I197 HydrophobicContact CE1-CG2 4.14Å; F177-I197 HydrophobicContact CZ-CD1 3.73Å; F177-I197 HydrophobicContact CZ-CG1 3.77Å; L189-I197 HydrophobicContact CD1-CD1 3.67Å; Q193-I197 WeakPolarHBondContact O-CD1 3.41Å; Q193-I197 VanDerWaalsContact O-CG1 3.24Å; Q193-I197 WeakPolarHBondContact O-CG1 3.42Å; Q193-I197 PolarHBondContact O-N 3.03Å; W194-I197 PolarHBondContact O-N 3.14Å; I197-S201 VanDerWaalsContact O-CB 3.31Å; I197-S201 WeakPolarHBondContact O-CB 3.42Å; I197-S201 PolarHBondContact O-N 2.86Å; I197-L220 HydrophobicContact CD1-CD2 4.49Å; I197-L221 HydrophobicContact CG1-CD2 4.01Å
198	L	98.2	Very high	96.4	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-43.4	175.1	178.3	63.2	0	0	0	112	F135 K136 Y139 L167 Y195 N196 S201 R202	F135-L198 HydrophobicContact CD1-CD1 4.29Å; F135-L198 HydrophobicContact CE1-CD1 3.76Å; K136-L198 HydrophobicContact CB-CD2 4.27Å; K136-L198 HydrophobicContact CD-CD2 4.46Å; K136-L198 HydrophobicContact CG-CD2 3.96Å; Y139-L198 HydrophobicContact CD1-CB 3.88Å; Y139-L198 HydrophobicContact CD1-CD2 3.65Å; Y139-L198 HydrophobicContact CD1-CG 4.27Å; Y139-L198 HydrophobicContact CD2-CD1 4.27Å; Y139-L198 HydrophobicContact CE1-CB 3.5Å; Y139-L198 HydrophobicContact CE1-CD2 4.19Å; Y139-L198 HydrophobicContact CE1-CG 4.37Å; Y139-L198 HydrophobicContact CE2-CB 4.19Å; Y139-L198 HydrophobicContact CE2-CD1 4.47Å; Y139-L198 HydrophobicContact CG-CB 4.39Å; Y139-L198 HydrophobicContact CG-CD1 4.41Å; Y139-L198 HydrophobicContact CG-CD2 3.85Å; Y139-L198 HydrophobicContact CG-CG 4.45Å; L167-L198 HydrophobicContact CD2-CD1 4.12Å; Y195-L198 PolarHBondContact O-N 3.24Å; N196-L198 VanDerWaalsContact C-N 3.28Å; N196-L198 PolarHBondContact O-N 3.37Å; L198-S201 PolarHBondContact O-N 3.23Å; L198-S201 PolarHBondContact O-OG 2.83Å; L198-R202 WeakPolarHBondContact O-CG 3.46Å; L198-R202 PolarHBondContact O-N 3.28Å
199	E	97.4	Very high	96.3	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-41.7	-178.4	-156.8	64.9	-140.2	0	0	111	K136 Y195 N196 S201 R202 T203 W217	K136-E199 IonicContact NZ-OE2 2.59Å; K136-E199 PolarHBondContact NZ-OE2 2.98Å; Y195-E199 PolarHBondContact O-N 2.92Å; N196-E199 PolarHBondContact O-N 3.13Å; N196-E199 VanDerWaalsContact O-N 3.13Å; E199-S201 PolarHBondContact O-N 3.24Å; E199-R202 PolarHBondContact O-N 2.84Å; E199-R202 VanDerWaalsContact O-N 3.16Å; E199-T203 HydrophobicContact CG-CG2 4.38Å; E199-T203 WeakPolarHBondContact O-CB 3.2Å; E199-T203 WeakPolarHBondContact O-CG2 3.37Å; E199-T203 PolarHBondContact O-N 2.95Å; E199-T203 PolarHBondContact O-OG1 3.38Å; E199-W217 HydrophobicContact CB-CH2 4.19Å; E199-W217 HydrophobicContact CB-CZ3 4.22Å; E199-W217 HydrophobicContact CG-CH2 4.34Å
200	F	98.1	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-46.6	171.3	-175.8	-74.8	0	0	0	111.2	W171 N196 R202 T203 I204 L208 Y211 W217 L221 F224 V225	W171-F200 HydrophobicContact CH2-CD1 4.48Å; W171-F200 AromaticContact CZ2-CD1 3.74Å; W171-F200 HydrophobicContact CZ2-CD1 3.74Å; W171-F200 AromaticContact CZ2-CE1 3.86Å; W171-F200 HydrophobicContact CZ2-CE1 3.86Å; N196-F200 VanDerWaalsContact O-CB 3.31Å; N196-F200 WeakPolarHBondContact O-CB 3.47Å; N196-F200 PolarHBondContact O-N 3.02Å; F200-R202 PolarHBondContact O-N 3.36Å; F200-T203 PolarHBondContact O-N 3.29Å; F200-I204 HydrophobicContact CB-CG1 4.49Å; F200-I204 HydrophobicContact CD1-CB 4.14Å; F200-I204 HydrophobicContact CD1-CG1 4.25Å; F200-I204 HydrophobicContact CD2-CB 4.3Å; F200-I204 HydrophobicContact CD2-CG1 3.61Å; F200-I204 HydrophobicContact CE1-CB 4.02Å; F200-I204 HydrophobicContact CE1-CG1 4.39Å; F200-I204 HydrophobicContact CE1-CG2 4.13Å; F200-I204 HydrophobicContact CE2-CB 4.24Å; F200-I204 HydrophobicContact CE2-CG1 3.83Å; F200-I204 HydrophobicContact CE2-CG2 4.2Å; F200-I204 HydrophobicContact CG-CB 4.26Å; F200-I204 HydrophobicContact CG-CG1 3.85Å; F200-I204 HydrophobicContact CZ-CB 4.08Å; F200-I204 HydrophobicContact CZ-CG1 4.2Å; F200-I204 HydrophobicContact CZ-CG2 3.85Å; F200-I204 PolarHBondContact O-N 2.76Å; F200-L208 HydrophobicContact CE1-CD2 4.42Å; F200-L208 HydrophobicContact CZ-CD2 4Å; F200-Y211 HydrophobicContact CD2-CD2 4.46Å; F200-Y211 HydrophobicContact CD2-CE2 4.04Å; F200-Y211 AromaticContact CE2-CD2 3.78Å; F200-Y211 HydrophobicContact CE2-CD2 3.78Å; F200-Y211 AromaticContact CE2-CE2 3.52Å; F200-Y211 HydrophobicContact CE2-CE2 3.52Å; F200-W217 HydrophobicContact CB-CH2 4.05Å; F200-W217 HydrophobicContact CB-CZ3 3.97Å; F200-L221 HydrophobicContact CB-CD1 3.87Å; F200-L221 HydrophobicContact CD2-CB 4.12Å; F200-L221 HydrophobicContact CD2-CD1 3.77Å; F200-L221 HydrophobicContact CD2-CD2 4.2Å; F200-L221 HydrophobicContact CD2-CG 4.26Å; F200-L221 HydrophobicContact CE2-CB 4.21Å; F200-L221 HydrophobicContact CG-CD1 4.08Å; F200-L221 HydrophobicContact CG-CD2 4.29Å; F200-F224 HydrophobicContact CE1-CD1 4.21Å; F200-F224 AromaticContact CE1-CE1 3.92Å; F200-F224 HydrophobicContact CE1-CE1 3.92Å; F200-F224 AromaticContact CZ-CD1 3.92Å; F200-F224 HydrophobicContact CZ-CD1 3.92Å; F200-F224 AromaticContact CZ-CE1 3.96Å; F200-F224 HydrophobicContact CZ-CE1 3.96Å; F200-V225 HydrophobicContact CE2-CG2 3.87Å; F200-V225 HydrophobicContact CZ-CG2 3.81Å
201	S	97.3	Very high	96	Very high	21 Å²	21	44.9 Å²	44.9	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-19.6	179.2	78.7	0	0	0	0	114.5	I197 L198 E199	I197-S201 VanDerWaalsContact O-CB 3.31Å; I197-S201 WeakPolarHBondContact O-CB 3.42Å; I197-S201 PolarHBondContact O-N 2.86Å; L198-S201 PolarHBondContact O-N 3.23Å; L198-S201 PolarHBondContact O-OG 2.83Å; E199-S201 PolarHBondContact O-N 3.24Å
202	R	95.4	Very high	95.8	Very high	107 Å²	107	45.6 Å²	45.6	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-105.1	-24.6	-177.9	-70	174.9	171.1	-162.3	-3.8	113.7	A132 L198 E199 F200	A132-R202 PolarHBondContact O-NH1 2.92Å; A132-R202 PolarHBondContact O-NH2 3.35Å; L198-R202 WeakPolarHBondContact O-CG 3.46Å; L198-R202 PolarHBondContact O-N 3.28Å; E199-R202 PolarHBondContact O-N 2.84Å; E199-R202 VanDerWaalsContact O-N 3.16Å; F200-R202 PolarHBondContact O-N 3.36Å
203	T	95.9	Very high	95.5	Very high	61 Å²	61	47.4 Å²	47.4	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-111.6	-25.8	-171.9	57.6	0	0	0	0	114.2	E199 F200 N210	E199-T203 HydrophobicContact CG-CG2 4.38Å; E199-T203 WeakPolarHBondContact O-CB 3.2Å; E199-T203 WeakPolarHBondContact O-CG2 3.37Å; E199-T203 PolarHBondContact O-N 2.95Å; E199-T203 PolarHBondContact O-OG1 3.38Å; F200-T203 PolarHBondContact O-N 3.29Å; T203-N210 PolarHBondContact O-ND2 3.41Å
204	I	96.4	Very high	95.2	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.092	28%	0.284	C	S	.	.	S	Bend	trans	-95.6	130.1	-178.6	-54.3	-54.1	0	0	0	110.8	F200 L208 Y211 W217	F200-I204 HydrophobicContact CB-CG1 4.49Å; F200-I204 HydrophobicContact CD1-CB 4.14Å; F200-I204 HydrophobicContact CD1-CG1 4.25Å; F200-I204 HydrophobicContact CD2-CB 4.3Å; F200-I204 HydrophobicContact CD2-CG1 3.61Å; F200-I204 HydrophobicContact CE1-CB 4.02Å; F200-I204 HydrophobicContact CE1-CG1 4.39Å; F200-I204 HydrophobicContact CE1-CG2 4.13Å; F200-I204 HydrophobicContact CE2-CB 4.24Å; F200-I204 HydrophobicContact CE2-CG1 3.83Å; F200-I204 HydrophobicContact CE2-CG2 4.2Å; F200-I204 HydrophobicContact CG-CB 4.26Å; F200-I204 HydrophobicContact CG-CG1 3.85Å; F200-I204 HydrophobicContact CZ-CB 4.08Å; F200-I204 HydrophobicContact CZ-CG1 4.2Å; F200-I204 HydrophobicContact CZ-CG2 3.85Å; F200-I204 PolarHBondContact O-N 2.76Å; I204-L208 HydrophobicContact CG2-CD2 3.74Å; I204-Y211 HydrophobicContact CD1-CD2 3.9Å; I204-Y211 HydrophobicContact CG1-CD2 4.1Å; I204-Y211 HydrophobicContact CG2-CD2 4.28Å; I204-W217 HydrophobicContact CD1-CZ2 4.04Å; I204-W217 HydrophobicContact CG1-CZ2 4.19Å
205	S	93.2	Very high	94.9	Very high	50 Å²	50	55 Å²	55	35%	0.35	30%	0.295	S	S	.	.			trans	-67.5	154.8	-178.8	-58	0	0	0	0	111.8	D207 L208 N210	S205-D207 WeakPolarHBondContact CB-OD1 3.41Å; S205-D207 PolarHBondContact O-N 3Å; S205-D207 VanDerWaalsContact O-N 3.14Å; S205-L208 PolarHBondContact O-N 2.87Å; S205-N210 WeakPolarHBondContact CB-OD1 3.18Å; S205-N210 PolarHBondContact N-OD1 3.13Å; S205-N210 PolarHBondContact OG-OD1 3.2Å
206	T	91.3	Very high	94.8	Very high	45 Å²	45	57 Å²	57	28%	0.276	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.5	-176.7	54	0	0	0	0	114.3	P172	P172-T206 HydrophobicContact CB-CG2 3.81Å; P172-T206 HydrophobicContact CG-CG2 3.97Å
207	D	89.4	Confident	94.7	Very high	86 Å²	86	57.9 Å²	57.9	46%	0.46	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.7	173.6	62.1	-0.2	0	0	0	113.6	S205 S209	S205-D207 WeakPolarHBondContact CB-OD1 3.41Å; S205-D207 PolarHBondContact O-N 3Å; S205-D207 VanDerWaalsContact O-N 3.14Å; D207-S209 VanDerWaalsContact CG-OG 3.25Å; D207-S209 PolarHBondContact O-N 3.43Å; D207-S209 VanDerWaalsContact OD1-CB 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.35Å; D207-S209 PolarHBondContact OD1-N 2.73Å; D207-S209 PolarHBondContact OD1-OG 2.77Å; D207-S209 PolarHBondContact OD2-OG 3.48Å
208	L	93.1	Very high	94.7	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.042	33%	0.332	C	S	.	.			trans	60.5	18.2	-175.9	-48.8	174.9	0	0	0	113.8	L173 F200 I204 S205 N210 Y211 V225 Q228	L173-L208 HydrophobicContact CD1-CD2 3.74Å; F200-L208 HydrophobicContact CE1-CD2 4.42Å; F200-L208 HydrophobicContact CZ-CD2 4Å; I204-L208 HydrophobicContact CG2-CD2 3.74Å; S205-L208 PolarHBondContact O-N 2.87Å; L208-N210 VanDerWaalsContact C-N 3.32Å; L208-N210 PolarHBondContact O-N 3.19Å; L208-Y211 WeakPolarHBondContact O-CB 3.49Å; L208-Y211 PolarHBondContact O-N 3.17Å; L208-V225 HydrophobicContact CD1-CB 4.4Å; L208-V225 HydrophobicContact CD1-CG1 4.16Å; L208-V225 HydrophobicContact CD1-CG2 4.19Å; L208-V225 HydrophobicContact CD2-CG2 4.31Å; L208-Q228 HydrophobicContact CD1-CB 3.93Å; L208-Q228 HydrophobicContact CD1-CG 3.69Å
209	S	92.7	Very high	94.6	Very high	86 Å²	86	62.9 Å²	62.9	60%	0.601	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27	-174	58	0	0	0	0	114.7	D207	D207-S209 VanDerWaalsContact CG-OG 3.25Å; D207-S209 PolarHBondContact O-N 3.43Å; D207-S209 VanDerWaalsContact OD1-CB 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.35Å; D207-S209 PolarHBondContact OD1-N 2.73Å; D207-S209 PolarHBondContact OD1-OG 2.77Å; D207-S209 PolarHBondContact OD2-OG 3.48Å
210	N	94.8	Very high	94.6	Very high	78 Å²	78	59.6 Å²	59.6	42%	0.417	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.7	177.1	74.8	-59.3	0	0	0	113.4	T203 S205 L208	T203-N210 PolarHBondContact O-ND2 3.41Å; S205-N210 WeakPolarHBondContact CB-OD1 3.18Å; S205-N210 PolarHBondContact N-OD1 3.13Å; S205-N210 PolarHBondContact OG-OD1 3.2Å; L208-N210 VanDerWaalsContact C-N 3.32Å; L208-N210 PolarHBondContact O-N 3.19Å
211	Y	96.2	Very high	94.6	Very high	20 Å²	20	59.7 Å²	59.7	8%	0.078	34%	0.343	C	S	.	.			trans	-76.4	133.3	172.2	-167.4	-104.7	0	0	0	110.8	F200 I204 L208 E213 W217 D222 V225	F200-Y211 HydrophobicContact CD2-CD2 4.46Å; F200-Y211 HydrophobicContact CD2-CE2 4.04Å; F200-Y211 AromaticContact CE2-CD2 3.78Å; F200-Y211 HydrophobicContact CE2-CD2 3.78Å; F200-Y211 AromaticContact CE2-CE2 3.52Å; F200-Y211 HydrophobicContact CE2-CE2 3.52Å; I204-Y211 HydrophobicContact CD1-CD2 3.9Å; I204-Y211 HydrophobicContact CG1-CD2 4.1Å; I204-Y211 HydrophobicContact CG2-CD2 4.28Å; L208-Y211 WeakPolarHBondContact O-CB 3.49Å; L208-Y211 PolarHBondContact O-N 3.17Å; Y211-E213 HydrophobicContact CD1-CG 4.01Å; Y211-E213 HydrophobicContact CE1-CG 4.23Å; Y211-W217 AromaticContact CE2-CD1 3.33Å; Y211-W217 HydrophobicContact CE2-CD2 4.47Å; Y211-W217 AromaticContact CE2-CG 3.92Å; Y211-W217 HydrophobicContact CE2-CG 3.92Å; Y211-W217 AromaticContact CE2-NE1 3.55Å; Y211-W217 AromaticContact CZ-CD1 3.65Å; Y211-D222 WeakPolarHBondContact OH-CA 3.4Å; Y211-D222 PolarHBondContact OH-N 2.85Å; Y211-D222 PolarHBondContact OH-OD1 2.98Å; Y211-V225 HydrophobicContact CD1-CB 4.11Å; Y211-V225 HydrophobicContact CD1-CG1 3.67Å; Y211-V225 HydrophobicContact CD1-CG2 3.93Å; Y211-V225 HydrophobicContact CD2-CG2 3.94Å; Y211-V225 HydrophobicContact CE1-CB 4.04Å; Y211-V225 HydrophobicContact CE1-CG1 4.05Å; Y211-V225 HydrophobicContact CE1-CG2 3.91Å; Y211-V225 HydrophobicContact CE2-CG2 3.98Å; Y211-V225 HydrophobicContact CG-CG1 4.13Å; Y211-V225 HydrophobicContact CG-CG2 3.9Å
212	D	94	Very high	94.6	Very high	93 Å²	93	60.8 Å²	60.8	50%	0.497	35%	0.346	S	S	.	.			trans	-105.7	115.6	176.7	-176.1	6.2	0	0	0	109	D214 G215	D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact OD1-N 3.14Å; D212-D214 VanDerWaalsContact OD1-N 3.14Å; D212-G215 PolarHBondContact O-N 3.27Å
213	E	89.9	Confident	94.6	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-16.8	-177.6	-64.9	177.5	177.4	0	0	112.3	Y211 G215 K229	Y211-E213 HydrophobicContact CD1-CG 4.01Å; Y211-E213 HydrophobicContact CE1-CG 4.23Å; E213-G215 VanDerWaalsContact C-N 3.3Å; E213-K229 IonicContact OE1-NZ 2.57Å; E213-K229 PolarHBondContact OE1-NZ 3.42Å
214	D	91.9	Very high	94.7	Very high	160 Å²	160	55 Å²	55	86%	0.856	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.6	168.9	-69	-55.7	0	0	0	111.7	D212	D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact OD1-N 3.14Å; D212-D214 VanDerWaalsContact OD1-N 3.14Å
215	G	92.6	Very high	94.6	Very high	23 Å²	23	54.2 Å²	54.2	24%	0.237	32%	0.316	C	S	.	.	S	Bend	trans	-72.1	160.8	-177.9	0	0	0	0	0	114.2	D212 E213 W217	D212-G215 PolarHBondContact O-N 3.27Å; E213-G215 VanDerWaalsContact C-N 3.3Å; G215-W217 PolarHBondContact O-N 2.57Å
216	A	95.5	Very high	94.7	Very high	108 Å²	108	58.5 Å²	58.5	89%	0.893	33%	0.33	S	S	*	.	S	Bend	trans	-80.7	34.7	178.8	0	0	0	0	0	113.8
217	W	97.4	Very high	94.8	Very high	52 Å²	52	59.1 Å²	59.1	20%	0.197	33%	0.328	C	S	.	.			trans	-76.8	154.6	177.7	-68.6	112.1	0	0	0	111.2	N196 E199 F200 I204 Y211 G215 L221	N196-W217 HydrophobicContact CB-CE3 4.19Å; N196-W217 HydrophobicContact CB-CZ3 4.19Å; E199-W217 HydrophobicContact CB-CH2 4.19Å; E199-W217 HydrophobicContact CB-CZ3 4.22Å; E199-W217 HydrophobicContact CG-CH2 4.34Å; F200-W217 HydrophobicContact CB-CH2 4.05Å; F200-W217 HydrophobicContact CB-CZ3 3.97Å; I204-W217 HydrophobicContact CD1-CZ2 4.04Å; I204-W217 HydrophobicContact CG1-CZ2 4.19Å; Y211-W217 AromaticContact CE2-CD1 3.33Å; Y211-W217 HydrophobicContact CE2-CD2 4.47Å; Y211-W217 AromaticContact CE2-CG 3.92Å; Y211-W217 HydrophobicContact CE2-CG 3.92Å; Y211-W217 AromaticContact CE2-NE1 3.55Å; Y211-W217 AromaticContact CZ-CD1 3.65Å; G215-W217 PolarHBondContact O-N 2.57Å; W217-L221 HydrophobicContact CB-CB 4.48Å; W217-L221 HydrophobicContact CD2-CD1 4.39Å; W217-L221 HydrophobicContact CE3-CD1 3.71Å; W217-L221 HydrophobicContact CZ3-CD1 4.25Å
218	P	96.9	Very high	94.9	Very high	18 Å²	18	55.5 Å²	55.5	12%	0.117	31%	0.308	C	S	.	.			trans	-68.5	137.7	168.6	-20	33.5	0	0	0	110.5	D192 Q193 N196 L220 L221	D192-P218 WeakPolarHBondContact OD2-CG 3.15Å; Q193-P218 HydrophobicContact CG-CB 4.09Å; N196-P218 HydrophobicContact CB-CG 3.68Å; N196-P218 WeakPolarHBondContact ND2-CG 3.47Å; P218-L220 PolarHBondContact O-N 3.37Å; P218-L221 WeakPolarHBondContact O-CB 3.32Å; P218-L221 PolarHBondContact O-N 3.48Å
219	V	96.8	Very high	94.8	Very high	90 Å²	90	59.1 Å²	59.1	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-43.4	-29.7	178.5	-176.7	0	0	0	0	114.9	L221 D222 E223	V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.31Å; V219-D222 WeakPolarHBondContact CA-OD2 3.14Å; V219-D222 PolarHBondContact N-OD2 2.92Å; V219-D222 PolarHBondContact O-N 3.09Å; V219-E223 HydrophobicContact CG1-CG 4.21Å; V219-E223 WeakPolarHBondContact CG1-OE1 3.29Å; V219-E223 WeakPolarHBondContact O-CB 3.45Å; V219-E223 WeakPolarHBondContact O-CG 3.28Å; V219-E223 PolarHBondContact O-N 2.89Å
220	L	97.6	Very high	94.6	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-32.7	175.4	-178.6	148.6	0	0	0	113.4	F177 F180 L181 Y186 L189 I197 P218 F224	F177-L220 HydrophobicContact CE2-CD2 4Å; F177-L220 HydrophobicContact CZ-CD2 3.79Å; F180-L220 HydrophobicContact CE1-CD2 4.3Å; F180-L220 HydrophobicContact CE1-CG 4.22Å; F180-L220 WeakPolarHBondContact CE1-O 3.49Å; F180-L220 WeakPolarHBondContact CZ-O 3.4Å; L181-L220 HydrophobicContact CD2-CD1 4.43Å; L181-L220 HydrophobicContact CD2-CD2 4.41Å; Y186-L220 HydrophobicContact CD1-CD1 4.12Å; Y186-L220 HydrophobicContact CD2-CD1 3.67Å; Y186-L220 HydrophobicContact CD2-CG 4.08Å; Y186-L220 HydrophobicContact CE1-CB 4.38Å; Y186-L220 HydrophobicContact CE1-CD1 4.26Å; Y186-L220 HydrophobicContact CE2-CB 3.99Å; Y186-L220 HydrophobicContact CE2-CD1 3.84Å; Y186-L220 HydrophobicContact CE2-CG 3.8Å; Y186-L220 HydrophobicContact CG-CD1 3.84Å; Y186-L220 WeakPolarHBondContact OH-CA 3.34Å; Y186-L220 PolarHBondContact OH-N 3.32Å; L189-L220 HydrophobicContact CD2-CD1 3.43Å; L189-L220 VanDerWaalsContact CD2-CD1 3.43Å; I197-L220 HydrophobicContact CD1-CD2 4.49Å; P218-L220 PolarHBondContact O-N 3.37Å; L220-F224 WeakPolarHBondContact O-CB 3.33Å; L220-F224 PolarHBondContact O-N 2.86Å
221	L	97.8	Very high	94	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-82.7	-35.1	176.9	-62.8	179.4	0	0	0	111.5	F177 N196 I197 F200 W217 P218 V219 F224 V225	F177-L221 HydrophobicContact CE2-CD2 3.92Å; F177-L221 HydrophobicContact CZ-CD2 4.23Å; N196-L221 HydrophobicContact CB-CD1 4.1Å; I197-L221 HydrophobicContact CG1-CD2 4.01Å; F200-L221 HydrophobicContact CB-CD1 3.87Å; F200-L221 HydrophobicContact CD2-CB 4.12Å; F200-L221 HydrophobicContact CD2-CD1 3.77Å; F200-L221 HydrophobicContact CD2-CD2 4.2Å; F200-L221 HydrophobicContact CD2-CG 4.26Å; F200-L221 HydrophobicContact CE2-CB 4.21Å; F200-L221 HydrophobicContact CG-CD1 4.08Å; F200-L221 HydrophobicContact CG-CD2 4.29Å; W217-L221 HydrophobicContact CB-CB 4.48Å; W217-L221 HydrophobicContact CD2-CD1 4.39Å; W217-L221 HydrophobicContact CE3-CD1 3.71Å; W217-L221 HydrophobicContact CZ3-CD1 4.25Å; P218-L221 WeakPolarHBondContact O-CB 3.32Å; P218-L221 PolarHBondContact O-N 3.48Å; V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.31Å; L221-F224 WeakPolarHBondContact O-CB 3.16Å; L221-F224 PolarHBondContact O-N 3.47Å; L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.49Å
222	D	96.8	Very high	92.9	Very high	43 Å²	43	60 Å²	60	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-50.9	170.6	-56.5	-74.7	0	0	0	110.4	Y211 V219 F224 V225 E226	Y211-D222 WeakPolarHBondContact OH-CA 3.4Å; Y211-D222 PolarHBondContact OH-N 2.85Å; Y211-D222 PolarHBondContact OH-OD1 2.98Å; V219-D222 WeakPolarHBondContact CA-OD2 3.14Å; V219-D222 PolarHBondContact N-OD2 2.92Å; V219-D222 PolarHBondContact O-N 3.09Å; D222-F224 VanDerWaalsContact C-N 3.27Å; D222-F224 PolarHBondContact O-N 3.39Å; D222-V225 PolarHBondContact O-N 3.11Å; D222-V225 VanDerWaalsContact O-N 3.09Å; D222-E226 PolarHBondContact O-N 3.12Å
223	E	96.8	Very high	91.5	Very high	46 Å²	46	59.4 Å²	59.4	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-34.3	176.4	-73.7	-178.9	-164.2	0	0	112.2	F180 K185 Y186 V219 W227	F180-E223 HydrophobicContact CE2-CB 4.15Å; F180-E223 HydrophobicContact CZ-CB 3.93Å; K185-E223 WeakPolarHBondContact CE-OE1 3.38Å; K185-E223 WeakPolarHBondContact CE-OE2 3.3Å; K185-E223 IonicContact NZ-OE1 2.61Å; K185-E223 PolarHBondContact NZ-OE1 3.09Å; K185-E223 IonicContact NZ-OE2 2.93Å; K185-E223 PolarHBondContact NZ-OE2 3.3Å; Y186-E223 VanDerWaalsContact OH-CD 3.3Å; Y186-E223 PolarHBondContact OH-OE1 3.23Å; Y186-E223 PolarHBondContact OH-OE2 2.99Å; V219-E223 HydrophobicContact CG1-CG 4.21Å; V219-E223 WeakPolarHBondContact CG1-OE1 3.29Å; V219-E223 WeakPolarHBondContact O-CB 3.45Å; V219-E223 WeakPolarHBondContact O-CG 3.28Å; V219-E223 PolarHBondContact O-N 2.89Å; E223-W227 WeakPolarHBondContact O-CB 3.15Å; E223-W227 PolarHBondContact O-N 2.94Å
224	F	96.8	Very high	90.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-44.5	173.2	168.3	-117.2	0	0	0	112.2	L173 V176 F177 F180 F200 L220 L221 D222 W227 Q228	L173-F224 HydrophobicContact CB-CZ 4.49Å; V176-F224 HydrophobicContact CG1-CE2 4.25Å; F177-F224 HydrophobicContact CB-CE2 4Å; F177-F224 HydrophobicContact CB-CZ 4.01Å; F177-F224 HydrophobicContact CD2-CB 4.29Å; F177-F224 AromaticContact CD2-CD1 3.82Å; F177-F224 HydrophobicContact CD2-CD1 3.82Å; F177-F224 AromaticContact CD2-CD2 3.69Å; F177-F224 HydrophobicContact CD2-CD2 3.69Å; F177-F224 HydrophobicContact CD2-CE1 4.02Å; F177-F224 AromaticContact CD2-CE2 3.89Å; F177-F224 HydrophobicContact CD2-CE2 3.89Å; F177-F224 AromaticContact CD2-CG 3.64Å; F177-F224 HydrophobicContact CD2-CG 3.64Å; F177-F224 HydrophobicContact CD2-CZ 4.05Å; F177-F224 HydrophobicContact CE2-CB 4.24Å; F177-F224 HydrophobicContact CE2-CD1 4.28Å; F177-F224 HydrophobicContact CE2-CD2 4.44Å; F177-F224 HydrophobicContact CE2-CG 4.06Å; F177-F224 HydrophobicContact CG-CE2 4.47Å; F180-F224 HydrophobicContact CB-CD2 3.77Å; F180-F224 HydrophobicContact CB-CE2 4.31Å; F180-F224 HydrophobicContact CD1-CB 3.87Å; F180-F224 AromaticContact CD1-CD2 3.96Å; F180-F224 HydrophobicContact CD1-CD2 3.96Å; F180-F224 HydrophobicContact CD1-CG 4.3Å; F180-F224 HydrophobicContact CD2-CB 4.4Å; F180-F224 HydrophobicContact CD2-CD2 4.38Å; F180-F224 HydrophobicContact CE1-CB 3.75Å; F180-F224 HydrophobicContact CE2-CB 4.29Å; F180-F224 HydrophobicContact CG-CB 4.19Å; F180-F224 AromaticContact CG-CD2 3.78Å; F180-F224 HydrophobicContact CG-CD2 3.78Å; F180-F224 HydrophobicContact CG-CG 4.46Å; F180-F224 HydrophobicContact CZ-CB 3.97Å; F200-F224 HydrophobicContact CE1-CD1 4.21Å; F200-F224 AromaticContact CE1-CE1 3.92Å; F200-F224 HydrophobicContact CE1-CE1 3.92Å; F200-F224 AromaticContact CZ-CD1 3.92Å; F200-F224 HydrophobicContact CZ-CD1 3.92Å; F200-F224 AromaticContact CZ-CE1 3.96Å; F200-F224 HydrophobicContact CZ-CE1 3.96Å; L220-F224 WeakPolarHBondContact O-CB 3.33Å; L220-F224 PolarHBondContact O-N 2.86Å; L221-F224 WeakPolarHBondContact O-CB 3.16Å; L221-F224 PolarHBondContact O-N 3.47Å; D222-F224 VanDerWaalsContact C-N 3.27Å; D222-F224 PolarHBondContact O-N 3.39Å; F224-W227 HydrophobicContact CD2-CE3 4.4Å; F224-W227 PolarHBondContact O-N 2.95Å; F224-Q228 HydrophobicContact CE2-CB 4.47Å; F224-Q228 VanDerWaalsContact O-CB 3.29Å; F224-Q228 WeakPolarHBondContact O-CB 3.46Å; F224-Q228 PolarHBondContact O-N 3.29Å
225	V	96	Very high	88.8	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-44.8	179.2	168.6	0	0	0	0	110.6	F200 L208 Y211 L221 D222 Q228 K229	F200-V225 HydrophobicContact CE2-CG2 3.87Å; F200-V225 HydrophobicContact CZ-CG2 3.81Å; L208-V225 HydrophobicContact CD1-CB 4.4Å; L208-V225 HydrophobicContact CD1-CG1 4.16Å; L208-V225 HydrophobicContact CD1-CG2 4.19Å; L208-V225 HydrophobicContact CD2-CG2 4.31Å; Y211-V225 HydrophobicContact CD1-CB 4.11Å; Y211-V225 HydrophobicContact CD1-CG1 3.67Å; Y211-V225 HydrophobicContact CD1-CG2 3.93Å; Y211-V225 HydrophobicContact CD2-CG2 3.94Å; Y211-V225 HydrophobicContact CE1-CB 4.04Å; Y211-V225 HydrophobicContact CE1-CG1 4.05Å; Y211-V225 HydrophobicContact CE1-CG2 3.91Å; Y211-V225 HydrophobicContact CE2-CG2 3.98Å; Y211-V225 HydrophobicContact CG-CG1 4.13Å; Y211-V225 HydrophobicContact CG-CG2 3.9Å; L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.49Å; D222-V225 PolarHBondContact O-N 3.11Å; D222-V225 VanDerWaalsContact O-N 3.09Å; V225-Q228 PolarHBondContact O-N 3.19Å; V225-K229 HydrophobicContact CG1-CD 3.9Å; V225-K229 VanDerWaalsContact CG1-CE 3.48Å; V225-K229 HydrophobicContact CG1-CG 4.35Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 VanDerWaalsContact O-CG 3.28Å; V225-K229 WeakPolarHBondContact O-CG 3.35Å; V225-K229 PolarHBondContact O-N 2.92Å
226	E	94.2	Very high	87.5	Confident	140 Å²	140	59.9 Å²	59.9	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-58.4	-51.9	174.4	-173.7	-175.3	-169.9	0	0	111	D222 Q228 K229 A230	D222-E226 PolarHBondContact O-N 3.12Å; E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.93Å; E226-K229 CarbonylContact O-C 3.59Å; E226-K229 PolarHBondContact O-N 2.61Å; E226-K229 VanDerWaalsContact O-N 3.14Å; E226-A230 WeakPolarHBondContact O-CB 3.49Å; E226-A230 PolarHBondContact O-N 2.79Å
227	W	94.2	Very high	85.7	Confident	59 Å²	59	57.2 Å²	57.2	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-41.7	178.7	179	91.3	0	0	0	112.3	V176 Q179 F180 E223 F224 A230 R231	V176-W227 HydrophobicContact CG1-CZ3 3.82Å; Q179-W227 HydrophobicContact CB-CH2 3.85Å; F180-W227 HydrophobicContact CB-CD2 4.21Å; F180-W227 HydrophobicContact CB-CE3 3.85Å; F180-W227 HydrophobicContact CB-CH2 3.99Å; F180-W227 HydrophobicContact CB-CZ2 4.41Å; F180-W227 HydrophobicContact CB-CZ3 3.73Å; F180-W227 HydrophobicContact CD2-CB 4.01Å; F180-W227 AromaticContact CD2-CD2 3.99Å; F180-W227 HydrophobicContact CD2-CD2 3.99Å; F180-W227 HydrophobicContact CD2-CE3 4.26Å; F180-W227 AromaticContact CD2-CG 3.91Å; F180-W227 HydrophobicContact CD2-CG 3.91Å; F180-W227 HydrophobicContact CE2-CB 4.3Å; F180-W227 HydrophobicContact CG-CE3 4.48Å; E223-W227 WeakPolarHBondContact O-CB 3.15Å; E223-W227 PolarHBondContact O-N 2.94Å; F224-W227 HydrophobicContact CD2-CE3 4.4Å; F224-W227 PolarHBondContact O-N 2.95Å; W227-A230 PolarHBondContact O-N 3.34Å; W227-R231 PolarHBondContact O-N 3.44Å
228	Q	91.3	Very high	83.7	Confident	9 Å²	9	60.4 Å²	60.4	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-71.7	-35.6	177.8	-179.8	59.7	2	0	0	112.6	L208 F224 V225 E226 A230 R231	L208-Q228 HydrophobicContact CD1-CB 3.93Å; L208-Q228 HydrophobicContact CD1-CG 3.69Å; F224-Q228 HydrophobicContact CE2-CB 4.47Å; F224-Q228 VanDerWaalsContact O-CB 3.29Å; F224-Q228 WeakPolarHBondContact O-CB 3.46Å; F224-Q228 PolarHBondContact O-N 3.29Å; V225-Q228 PolarHBondContact O-N 3.19Å; E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.93Å; Q228-A230 VanDerWaalsContact C-N 3.32Å; Q228-R231 PolarHBondContact O-N 3.12Å
229	K	89.9	Confident	81.5	Confident	84 Å²	84	63 Å²	63	37%	0.365	36%	0.364	S	S	.	.	H	α-helix	trans	-68.8	-28	172.8	-76.1	177.1	-179.2	-178.8	0	112.5	E213 V225 E226 R236	E213-K229 IonicContact OE1-NZ 2.57Å; E213-K229 PolarHBondContact OE1-NZ 3.42Å; V225-K229 HydrophobicContact CG1-CD 3.9Å; V225-K229 VanDerWaalsContact CG1-CE 3.48Å; V225-K229 HydrophobicContact CG1-CG 4.35Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 VanDerWaalsContact O-CG 3.28Å; V225-K229 WeakPolarHBondContact O-CG 3.35Å; V225-K229 PolarHBondContact O-N 2.92Å; E226-K229 CarbonylContact O-C 3.59Å; E226-K229 PolarHBondContact O-N 2.61Å; E226-K229 VanDerWaalsContact O-N 3.14Å; K229-R236 PolarHBondContact O-NH2 3.34Å
230	A	88.6	Confident	79.2	Confident	83 Å²	83	63.6 Å²	63.6	69%	0.686	37%	0.367	S	S	*	.	H	α-helix	trans	-76.8	-24.5	176.7	0	0	0	0	0	113.8	E226 W227 Q228	E226-A230 WeakPolarHBondContact O-CB 3.49Å; E226-A230 PolarHBondContact O-N 2.79Å; W227-A230 PolarHBondContact O-N 3.34Å; Q228-A230 VanDerWaalsContact C-N 3.32Å
231	R	82.8	Confident	76.5	Confident	43 Å²	43	67.7 Å²	67.7	16%	0.162	40%	0.401	C	S	.	.	S	Bend	trans	-64.7	140.4	-179.2	-76.7	172	63.4	150.1	1.1	112.4	W227 Q228 L235 R236	W227-R231 PolarHBondContact O-N 3.44Å; Q228-R231 PolarHBondContact O-N 3.12Å; R231-L235 PolarHBondContact NH2-O 2.99Å; R231-R236 VanDerWaalsContact O-CZ 3.29Å; R231-R236 PolarHBondContact O-NE 3.49Å; R231-R236 PolarHBondContact O-NH2 3.38Å
232	P	73.2	Confident	73.7	Confident	76 Å²	76	73.7 Å²	73.7	49%	0.494	44%	0.437	S	S	.	.			trans	-52.9	141.7	173	-26.2	34	0	0	0	112.1	S234 L235	P232-S234 PolarHBondContact O-N 2.92Å; P232-S234 VanDerWaalsContact O-N 3.09Å; P232-L235 HydrophobicContact CG-CD1 4.44Å; P232-L235 PolarHBondContact O-N 3.3Å
233	A	65.1	Low	70.7	Confident	82 Å²	82	80.9 Å²	80.9	68%	0.678	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.8	-176.8	0	0	0	0	0	113.6	L235 R236	A233-L235 PolarHBondContact O-N 2.7Å; A233-R236 PolarHBondContact O-N 2.78Å
234	S	61.6	Low	67.9	Low	108 Å²	108	90.1 Å²	90.1	76%	0.755	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.9	174.9	51.6	0	0	0	0	115	P232	P232-S234 PolarHBondContact O-N 2.92Å; P232-S234 VanDerWaalsContact O-N 3.09Å
235	L	62.9	Low	65.2	Low	104 Å²	104	99.6 Å²	99.6	55%	0.545	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-110.2	8.4	179.6	-67.2	174.7	0	0	0	113	R231 P232 A233	R231-L235 PolarHBondContact NH2-O 2.99Å; P232-L235 HydrophobicContact CG-CD1 4.44Å; P232-L235 PolarHBondContact O-N 3.3Å; A233-L235 PolarHBondContact O-N 2.7Å
236	R	64.8	Low	62.5	Low	108 Å²	108	102.6 Å²	102.6	41%	0.408	58%	0.576	S	S	.	*	S	Bend	trans	-91.3	142.2	173.5	-59.7	-176.3	-164.5	-170.8	3.3	109.4	K229 R231 A233	K229-R236 PolarHBondContact O-NH2 3.34Å; R231-R236 VanDerWaalsContact O-CZ 3.29Å; R231-R236 PolarHBondContact O-NE 3.49Å; R231-R236 PolarHBondContact O-NH2 3.38Å; A233-R236 PolarHBondContact O-N 2.78Å
237	P	58.5	Low	59.8	Low	51 Å²	51	105.6 Å²	105.6	33%	0.331	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-60.9	141	172.2	27.2	-33.4	0	0	0	109.6	L173 V176 C239	L173-P237 HydrophobicContact CD2-CG 4.1Å; V176-P237 HydrophobicContact CG2-CG 4.14Å; P237-C239 PolarHBondContact O-N 2.87Å
238	P	55.7	Low	57.2	Low	119 Å²	119	114 Å²	114	77%	0.773	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-62.5	134.6	179.2	25.6	-33.5	0	0	0	110.1	V240	P238-V240 PolarHBondContact O-N 3.14Å; P238-V240 VanDerWaalsContact O-N 3.14Å
239	C	50.8	Low	54.8	Low	74 Å²	74	122.9 Å²	122.9	50%	0.5	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-63.7	116.7	179.1	-169.3	0	0	0	0	109.8	P237 A241	P237-C239 PolarHBondContact O-N 2.87Å; C239-A241 VanDerWaalsContact C-N 3.32Å; C239-A241 PolarHBondContact O-N 3.08Å
240	V	48.5	Very low	52.6	Low	102 Å²	102	127.2 Å²	127.2	62%	0.618	69%	0.686	S	S	*	*			trans	-76.1	89.4	177.4	-177.5	0	0	0	0	107.9	P238 T242	P238-V240 PolarHBondContact O-N 3.14Å; P238-V240 VanDerWaalsContact O-N 3.14Å; V240-T242 PolarHBondContact O-N 3.3Å
241	A	40.5	Very low	50.1	Low	86 Å²	86	129.4 Å²	129.4	71%	0.711	70%	0.696	S	S	*	*			trans	-59.5	104.5	175.3	0	0	0	0	0	109.9	C239 K243	C239-A241 VanDerWaalsContact C-N 3.32Å; C239-A241 PolarHBondContact O-N 3.08Å; A241-K243 VanDerWaalsContact C-N 3.29Å; A241-K243 PolarHBondContact O-N 3.09Å
242	T	38.7	Very low	48.3	Very low	128 Å²	128	131.5 Å²	131.5	79%	0.785	72%	0.723	S	S	*	*			trans	-67.6	90.3	172.4	37.8	0	0	0	0	108.9	V240 R244	V240-T242 PolarHBondContact O-N 3.3Å; T242-R244 PolarHBondContact O-N 3.33Å
243	K	34.8	Very low	46.9	Very low	195 Å²	195	136.7 Å²	136.7	85%	0.848	74%	0.74	S	S	*	*			trans	-60.5	104.5	-179.6	-144.2	178	-171	-179.1	0	108.7	A241 E245	A241-K243 VanDerWaalsContact C-N 3.29Å; A241-K243 PolarHBondContact O-N 3.09Å; K243-E245 PolarHBondContact O-N 3.38Å
244	R	37.1	Very low	46	Very low	240 Å²	240	139.1 Å²	139.1	91%	0.906	75%	0.747	S	S	*	*			trans	-66	100	170.4	-66.2	-176.1	-174.7	178.4	2.5	107.8	T242 G246	T242-R244 PolarHBondContact O-N 3.33Å; R244-G246 PolarHBondContact O-N 2.91Å; R244-G246 VanDerWaalsContact O-N 3.17Å
245	E	41.1	Very low	45.3	Very low	198 Å²	198	139 Å²	139	93%	0.925	74%	0.742	S	S	*	*			trans	-66.2	109.9	165.9	-83.4	-164.5	119.2	0	0	108.6	K243	K243-E245 PolarHBondContact O-N 3.38Å
246	G	39.3	Very low	44.8	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	75%	0.754	S	S	*	*			trans	-176.6	35.2	-169.6	0	0	0	0	0	116.6	R244	R244-G246 PolarHBondContact O-N 2.91Å; R244-G246 VanDerWaalsContact O-N 3.17Å
247	E	37	Very low	43.6	Very low	202 Å²	202	148.6 Å²	148.6	94%	0.944	80%	0.795	S	S	*	*			trans	-156.1	112.1	157.2	-118.3	159.3	-158.6	0	0	111.8
248	R	40	Very low	42.9	Very low	236 Å²	236	153.5 Å²	153.5	89%	0.891	82%	0.818	S	S	*	*			trans	-108.5	108.7	-175.8	-152.2	-172.4	-75	-166.2	-2.3	108.7
249	K	40.2	Very low	42.2	Very low	195 Å²	195	155.3 Å²	155.3	85%	0.848	82%	0.821	S	S	*	*			trans	46	112.3	154.4	-59.9	-176.3	176.4	-170	0	118.2
250	L	43.4	Very low	41.7	Very low	175 Å²	175	159.8 Å²	159.8	92%	0.916	84%	0.839	S	S	*	*			trans	-144.6	93.1	138.4	-157.1	78.2	0	0	0	112.3
251	S	37	Very low	41.3	Very low	129 Å²	129	163.2 Å²	163.2	90%	0.902	85%	0.852	S	S	*	*			trans	-170	97.1	152.3	-84.1	0	0	0	0	107.6
252	A	44	Very low	41.4	Very low	87 Å²	87	168.1 Å²	168.1	72%	0.719	86%	0.86	S	S	*	*			trans	-114.8	137.6	161.6	0	0	0	0	0	107.3
253	E	44.4	Very low	41.5	Very low	185 Å²	185	170.7 Å²	170.7	86%	0.864	87%	0.865	S	S	*	*			trans	58.6	101.4	158.7	-64.4	172.9	95	0	0	118.3
254	T	46.5	Very low	42	Very low	134 Å²	134	169 Å²	169	82%	0.822	87%	0.867	S	S	*	*			trans	-150.9	127.5	141.4	-75.6	0	0	0	0	108.7
255	T	46.8	Very low	42.4	Very low	105 Å²	105	163.5 Å²	163.5	64%	0.644	86%	0.864	S	S	*	*			trans	88.5	100.6	160.3	-59.6	0	0	0	0	120.3
256	Q	51.4	Low	42.5	Very low	171 Å²	171	160.7 Å²	160.7	80%	0.799	86%	0.859	S	S	*	*			trans	63.1	129.6	132.3	-58.3	166.1	4.1	0	0	118.6
257	L	39.9	Very low	42.8	Very low	243 Å²	243	169.3 Å²	169.3	100%	1.272	88%	0.875	S	S	*	*			cis	-141	0	49	-88.2	156.4	0	0	0	113.6

Retrieved 257 of 257 residues in 282.8 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).